Browse entries in the PDBbind-CN Database
HEADER 1U9Q_COMPLEX COMPND 1U9Q_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 X 215 ALA PRO ALA ALA VAL ASP TRP ARG ALA ARG GLY ALA VAL SEQRES 2 X 215 THR ALA VAL LYS ASP GLN GLY GLN CYS GLY SER CYS TRP SEQRES 3 X 215 ALA PHE SER ALA ILE GLY ASN VAL GLU CYS GLN TRP PHE SEQRES 4 X 215 LEU ALA GLY HIS PRO LEU THR ASN LEU SER GLU GLN MET SEQRES 5 X 215 LEU VAL SER CYS ASP LYS THR ASP SER GLY CYS SER GLY SEQRES 6 X 215 GLY LEU MET ASN ASN ALA PHE GLU TRP ILE VAL GLN GLU SEQRES 7 X 215 ASN ASN GLY ALA VAL TYR THR GLU ASP SER TYR PRO TYR SEQRES 8 X 215 ALA SER GLY GLU GLY ILE SER PRO PRO CYS THR THR SER SEQRES 9 X 215 GLY HIS THR VAL GLY ALA THR ILE THR GLY HIS VAL GLU SEQRES 10 X 215 LEU PRO GLN ASP GLU ALA GLN ILE ALA ALA TRP LEU ALA SEQRES 11 X 215 VAL ASN GLY PRO VAL ALA VAL ALA VAL ASP ALA SER SER SEQRES 12 X 215 TRP MET THR TYR THR GLY GLY VAL MET THR SER CYS VAL SEQRES 13 X 215 SER GLU GLN LEU ASP HIS GLY VAL LEU LEU VAL GLY TYR SEQRES 14 X 215 ASN ASP SER ALA ALA VAL PRO TYR TRP ILE ILE LYS ASN SEQRES 15 X 215 SER TRP THR THR GLN TRP GLY GLU GLU GLY TYR ILE ARG SEQRES 16 X 215 ILE ALA LYS GLY SER ASN GLN CYS LEU VAL LYS GLU GLU SEQRES 17 X 215 ALA SER SER ALA VAL VAL GLY HET UNN A 320 54 SSBOND 1 CYS X 22 CYS X 63 SSBOND 2 CYS X 56 CYS X 95 SSBOND 3 CYS X 153 CYS X 200 ATOM 1 N ALA X 1 -6.563 -17.488 15.215 1.00 25.79 N ATOM 2 CA ALA X 1 -5.126 -17.054 15.127 1.00 26.04 C ATOM 3 C ALA X 1 -4.225 -17.673 16.264 1.00 24.90 C ATOM 4 O ALA X 1 -4.746 -18.200 17.235 1.00 25.47 O ATOM 5 CB ALA X 1 -5.078 -15.515 15.103 1.00 26.57 C ATOM 6 HA ALA X 1 -4.698 -17.440 14.202 1.00 0.00 H ATOM 7 HB1 ALA X 1 -5.630 -15.149 14.238 1.00 0.00 H ATOM 8 HB2 ALA X 1 -5.529 -15.124 16.015 1.00 0.00 H ATOM 9 HB3 ALA X 1 -4.041 -15.186 15.039 1.00 0.00 H ATOM 10 HN3 ALA X 1 -6.958 -17.190 16.130 1.00 0.00 H ATOM 11 HN2 ALA X 1 -6.617 -18.523 15.133 1.00 0.00 H ATOM 12 HN1 ALA X 1 -7.104 -17.049 14.443 1.00 0.00 H ATOM 13 N PRO X 2 -2.876 -17.659 16.133 1.00 23.66 N ATOM 14 CA PRO X 2 -2.105 -17.991 17.364 1.00 22.18 C ATOM 15 C PRO X 2 -2.299 -16.935 18.463 1.00 20.95 C ATOM 16 O PRO X 2 -2.691 -15.801 18.181 1.00 21.43 O ATOM 17 CB PRO X 2 -0.644 -17.966 16.893 1.00 22.67 C ATOM 18 CG PRO X 2 -0.703 -18.015 15.393 1.00 22.80 C ATOM 19 CD PRO X 2 -1.995 -17.364 14.989 1.00 22.90 C ATOM 20 HA PRO X 2 -2.421 -18.942 17.793 1.00 0.00 H ATOM 21 HD3 PRO X 2 -1.870 -16.290 14.856 1.00 0.00 H ATOM 22 HD2 PRO X 2 -2.385 -17.800 14.069 1.00 0.00 H ATOM 23 HG3 PRO X 2 -0.680 -19.049 15.050 1.00 0.00 H ATOM 24 HG2 PRO X 2 0.141 -17.473 14.966 1.00 0.00 H ATOM 25 HB2 PRO X 2 -0.152 -17.052 17.225 1.00 0.00 H ATOM 26 HB3 PRO X 2 -0.104 -18.829 17.281 1.00 0.00 H ATOM 27 N ALA X 3 -2.032 -17.292 19.711 1.00 20.02 N ATOM 28 CA ALA X 3 -2.232 -16.358 20.855 1.00 18.20 C ATOM 29 C ALA X 3 -1.256 -15.178 20.840 1.00 16.70 C ATOM 30 O ALA X 3 -1.608 -14.096 21.265 1.00 15.26 O ATOM 31 CB ALA X 3 -2.121 -17.115 22.202 1.00 17.57 C ATOM 32 HA ALA X 3 -3.236 -15.947 20.745 1.00 0.00 H ATOM 33 HB1 ALA X 3 -2.883 -17.894 22.244 1.00 0.00 H ATOM 34 HB2 ALA X 3 -1.132 -17.567 22.283 1.00 0.00 H ATOM 35 HB3 ALA X 3 -2.270 -16.415 23.024 1.00 0.00 H ATOM 36 H ALA X 3 -1.673 -18.250 19.897 1.00 0.00 H ATOM 37 N ALA X 4 -0.035 -15.417 20.343 1.00 16.17 N ATOM 38 CA ALA X 4 1.064 -14.412 20.352 1.00 15.69 C ATOM 39 C ALA X 4 2.040 -14.676 19.195 1.00 15.14 C ATOM 40 O ALA X 4 2.456 -15.811 18.937 1.00 15.94 O ATOM 41 CB ALA X 4 1.818 -14.409 21.714 1.00 13.54 C ATOM 42 HA ALA X 4 0.619 -13.426 20.217 1.00 0.00 H ATOM 43 HB1 ALA X 4 1.119 -14.166 22.514 1.00 0.00 H ATOM 44 HB2 ALA X 4 2.248 -15.395 21.892 1.00 0.00 H ATOM 45 HB3 ALA X 4 2.613 -13.664 21.686 1.00 0.00 H ATOM 46 H ALA X 4 0.155 -16.352 19.930 1.00 0.00 H ATOM 47 N VAL X 5 2.369 -13.614 18.480 1.00 14.50 N ATOM 48 CA VAL X 5 3.354 -13.644 17.441 1.00 13.93 C ATOM 49 C VAL X 5 4.321 -12.473 17.673 1.00 13.38 C ATOM 50 O VAL X 5 3.882 -11.371 17.994 1.00 13.25 O ATOM 51 CB VAL X 5 2.721 -13.510 16.048 1.00 13.80 C ATOM 52 CG1 VAL X 5 3.836 -13.555 14.988 1.00 15.27 C ATOM 53 CG2 VAL X 5 1.701 -14.636 15.789 1.00 15.63 C ATOM 54 HA VAL X 5 3.872 -14.602 17.474 1.00 0.00 H ATOM 55 HB VAL X 5 2.189 -12.560 15.992 1.00 0.00 H ATOM 56 HG11 VAL X 5 4.531 -12.733 15.158 1.00 0.00 H ATOM 57 HG12 VAL X 5 4.368 -14.503 15.062 1.00 0.00 H ATOM 58 HG13 VAL X 5 3.396 -13.461 13.995 1.00 0.00 H ATOM 59 HG21 VAL X 5 2.203 -15.601 15.852 1.00 0.00 H ATOM 60 HG22 VAL X 5 0.910 -14.587 16.537 1.00 0.00 H ATOM 61 HG23 VAL X 5 1.271 -14.513 14.795 1.00 0.00 H ATOM 62 H VAL X 5 1.889 -12.713 18.682 1.00 0.00 H ATOM 63 N ASP X 6 5.615 -12.717 17.459 1.00 11.72 N ATOM 64 CA ASP X 6 6.608 -11.700 17.501 1.00 10.99 C ATOM 65 C ASP X 6 7.701 -12.043 16.474 1.00 11.48 C ATOM 66 O ASP X 6 8.559 -12.901 16.701 1.00 11.13 O ATOM 67 CB ASP X 6 7.203 -11.637 18.881 1.00 11.37 C ATOM 68 CG ASP X 6 8.144 -10.494 19.065 1.00 12.34 C ATOM 69 OD1 ASP X 6 8.494 -10.260 20.230 1.00 17.43 O ATOM 70 OD2 ASP X 6 8.553 -9.830 18.089 1.00 11.97 O ATOM 71 HA ASP X 6 6.168 -10.732 17.263 1.00 0.00 H ATOM 72 HB2 ASP X 6 6.393 -11.539 19.603 1.00 0.00 H ATOM 73 HB3 ASP X 6 7.744 -12.565 19.068 1.00 0.00 H ATOM 74 H ASP X 6 5.910 -13.693 17.253 1.00 0.00 H ATOM 75 N TRP X 7 7.656 -11.343 15.350 1.00 10.65 N ATOM 76 CA TRP X 7 8.523 -11.585 14.242 1.00 9.94 C ATOM 77 C TRP X 7 9.981 -11.241 14.543 1.00 10.07 C ATOM 78 O TRP X 7 10.877 -11.610 13.768 1.00 9.53 O ATOM 79 CB TRP X 7 8.009 -10.809 12.989 1.00 8.86 C ATOM 80 CG TRP X 7 6.826 -11.516 12.418 1.00 8.47 C ATOM 81 CD1 TRP X 7 5.498 -11.140 12.517 1.00 2.88 C ATOM 82 CD2 TRP X 7 6.852 -12.766 11.716 1.00 6.88 C ATOM 83 NE1 TRP X 7 4.713 -12.073 11.922 1.00 7.81 N ATOM 84 CE2 TRP X 7 5.503 -13.092 11.417 1.00 8.10 C ATOM 85 CE3 TRP X 7 7.879 -13.650 11.325 1.00 6.59 C ATOM 86 CZ2 TRP X 7 5.156 -14.245 10.735 1.00 2.00 C ATOM 87 CZ3 TRP X 7 7.539 -14.807 10.624 1.00 6.88 C ATOM 88 CH2 TRP X 7 6.179 -15.082 10.325 1.00 7.69 C ATOM 89 HA TRP X 7 8.502 -12.655 14.037 1.00 0.00 H ATOM 90 HB2 TRP X 7 7.723 -9.798 13.279 1.00 0.00 H ATOM 91 HB3 TRP X 7 8.800 -10.761 12.241 1.00 0.00 H ATOM 92 HE1 TRP X 7 3.676 -12.030 11.855 1.00 0.00 H ATOM 93 HD1 TRP X 7 5.137 -10.232 13.000 1.00 0.00 H ATOM 94 HZ2 TRP X 7 4.113 -14.486 10.528 1.00 0.00 H ATOM 95 HH2 TRP X 7 5.933 -15.979 9.756 1.00 0.00 H ATOM 96 HZ3 TRP X 7 8.318 -15.500 10.306 1.00 0.00 H ATOM 97 HE3 TRP X 7 8.920 -13.433 11.566 1.00 0.00 H ATOM 98 H TRP X 7 6.954 -10.579 15.271 1.00 0.00 H ATOM 99 N ARG X 8 10.231 -10.533 15.628 1.00 11.36 N ATOM 100 CA ARG X 8 11.629 -10.306 16.010 1.00 13.00 C ATOM 101 C ARG X 8 12.293 -11.611 16.467 1.00 14.01 C ATOM 102 O ARG X 8 13.493 -11.772 16.268 1.00 15.04 O ATOM 103 CB ARG X 8 11.794 -9.215 17.078 1.00 12.88 C ATOM 104 CG ARG X 8 11.330 -7.847 16.698 1.00 11.89 C ATOM 105 CD ARG X 8 11.262 -6.975 17.951 1.00 11.05 C ATOM 106 NE ARG X 8 10.347 -7.533 18.955 1.00 11.54 N ATOM 107 CZ ARG X 8 10.069 -6.956 20.123 1.00 8.91 C ATOM 108 NH1 ARG X 8 10.590 -5.782 20.451 1.00 13.16 N ATOM 109 NH2 ARG X 8 9.257 -7.547 20.943 1.00 4.78 N ATOM 110 HA ARG X 8 12.134 -9.945 15.114 1.00 0.00 H ATOM 111 HB2 ARG X 8 11.233 -9.524 17.960 1.00 0.00 H ATOM 112 HB3 ARG X 8 12.853 -9.150 17.327 1.00 0.00 H ATOM 113 HG2 ARG X 8 12.029 -7.409 15.986 1.00 0.00 H ATOM 114 HG3 ARG X 8 10.342 -7.910 16.243 1.00 0.00 H ATOM 115 HD2 ARG X 8 10.915 -5.981 17.671 1.00 0.00 H ATOM 116 HD3 ARG X 8 12.259 -6.901 18.384 1.00 0.00 H ATOM 117 HE ARG X 8 9.885 -8.440 18.740 1.00 0.00 H ATOM 118 HH12 ARG X 8 10.360 -5.349 21.368 1.00 0.00 H ATOM 119 HH11 ARG X 8 11.229 -5.294 19.791 1.00 0.00 H ATOM 120 HH22 ARG X 8 9.031 -7.108 21.858 1.00 0.00 H ATOM 121 HH21 ARG X 8 8.831 -8.460 20.686 1.00 0.00 H ATOM 122 H ARG X 8 9.454 -10.144 16.200 1.00 0.00 H ATOM 123 N ALA X 9 11.513 -12.526 17.047 1.00 14.65 N ATOM 124 CA ALA X 9 12.007 -13.828 17.526 1.00 16.96 C ATOM 125 C ALA X 9 12.417 -14.773 16.383 1.00 18.28 C ATOM 126 O ALA X 9 13.083 -15.780 16.605 1.00 19.05 O ATOM 127 CB ALA X 9 10.944 -14.511 18.424 1.00 17.35 C ATOM 128 HA ALA X 9 12.906 -13.625 18.108 1.00 0.00 H ATOM 129 HB1 ALA X 9 10.731 -13.873 19.282 1.00 0.00 H ATOM 130 HB2 ALA X 9 10.031 -14.666 17.850 1.00 0.00 H ATOM 131 HB3 ALA X 9 11.325 -15.472 18.769 1.00 0.00 H ATOM 132 H ALA X 9 10.503 -12.308 17.167 1.00 0.00 H ATOM 133 N ARG X 10 12.028 -14.428 15.154 1.00 19.65 N ATOM 134 CA ARG X 10 12.267 -15.246 13.980 1.00 19.70 C ATOM 135 C ARG X 10 13.390 -14.705 13.154 1.00 19.88 C ATOM 136 O ARG X 10 13.723 -15.278 12.117 1.00 21.86 O ATOM 137 CB ARG X 10 11.004 -15.328 13.148 1.00 20.34 C ATOM 138 CG ARG X 10 10.060 -16.429 13.631 1.00 24.08 C ATOM 139 CD ARG X 10 8.776 -15.912 14.264 1.00 29.82 C ATOM 140 NE ARG X 10 7.699 -16.822 13.823 1.00 37.89 N ATOM 141 CZ ARG X 10 6.441 -16.839 14.276 1.00 38.49 C ATOM 142 NH1 ARG X 10 5.569 -17.699 13.795 1.00 36.35 N ATOM 143 NH2 ARG X 10 6.044 -15.998 15.204 1.00 41.72 N ATOM 144 HA ARG X 10 12.551 -16.244 14.315 1.00 0.00 H ATOM 145 HB2 ARG X 10 10.485 -14.371 13.204 1.00 0.00 H ATOM 146 HB3 ARG X 10 11.279 -15.531 12.113 1.00 0.00 H ATOM 147 HG2 ARG X 10 9.794 -17.052 12.777 1.00 0.00 H ATOM 148 HG3 ARG X 10 10.587 -17.033 14.370 1.00 0.00 H ATOM 149 HD2 ARG X 10 8.572 -14.895 13.928 1.00 0.00 H ATOM 150 HD3 ARG X 10 8.859 -15.924 15.351 1.00 0.00 H ATOM 151 HE ARG X 10 7.943 -17.517 13.089 1.00 0.00 H ATOM 152 HH12 ARG X 10 4.593 -17.705 14.153 1.00 0.00 H ATOM 153 HH11 ARG X 10 5.856 -18.373 13.057 1.00 0.00 H ATOM 154 HH22 ARG X 10 5.062 -16.025 15.545 1.00 0.00 H ATOM 155 HH21 ARG X 10 6.712 -15.305 15.598 1.00 0.00 H ATOM 156 H ARG X 10 11.527 -13.525 15.031 1.00 0.00 H ATOM 157 N GLY X 11 13.997 -13.614 13.616 1.00 19.20 N ATOM 158 CA GLY X 11 15.142 -13.040 12.942 1.00 17.44 C ATOM 159 C GLY X 11 14.748 -12.221 11.746 1.00 16.83 C ATOM 160 O GLY X 11 15.582 -11.961 10.862 1.00 17.96 O ATOM 161 HA3 GLY X 11 15.797 -13.847 12.614 1.00 0.00 H ATOM 162 HA2 GLY X 11 15.678 -12.401 13.644 1.00 0.00 H ATOM 163 H GLY X 11 13.640 -13.163 14.482 1.00 0.00 H ATOM 164 N ALA X 12 13.489 -11.792 11.711 1.00 14.90 N ATOM 165 CA ALA X 12 12.909 -11.163 10.536 1.00 13.21 C ATOM 166 C ALA X 12 12.821 -9.614 10.562 1.00 13.73 C ATOM 167 O ALA X 12 12.422 -8.979 9.553 1.00 13.72 O ATOM 168 CB ALA X 12 11.634 -11.702 10.325 1.00 12.14 C ATOM 169 HA ALA X 12 13.597 -11.382 9.719 1.00 0.00 H ATOM 170 HB1 ALA X 12 11.717 -12.777 10.168 1.00 0.00 H ATOM 171 HB2 ALA X 12 11.010 -11.508 11.197 1.00 0.00 H ATOM 172 HB3 ALA X 12 11.186 -11.239 9.446 1.00 0.00 H ATOM 173 H ALA X 12 12.897 -11.911 12.558 1.00 0.00 H ATOM 174 N VAL X 13 13.148 -9.006 11.695 1.00 12.62 N ATOM 175 CA VAL X 13 13.075 -7.546 11.825 1.00 12.46 C ATOM 176 C VAL X 13 14.495 -6.947 11.988 1.00 12.77 C ATOM 177 O VAL X 13 15.278 -7.428 12.821 1.00 12.95 O ATOM 178 CB VAL X 13 12.194 -7.143 12.970 1.00 11.69 C ATOM 179 CG1 VAL X 13 11.848 -5.599 12.877 1.00 12.58 C ATOM 180 CG2 VAL X 13 10.924 -7.995 12.976 1.00 11.89 C ATOM 181 HA VAL X 13 12.632 -7.148 10.912 1.00 0.00 H ATOM 182 HB VAL X 13 12.723 -7.313 13.908 1.00 0.00 H ATOM 183 HG11 VAL X 13 12.770 -5.019 12.914 1.00 0.00 H ATOM 184 HG12 VAL X 13 11.329 -5.400 11.939 1.00 0.00 H ATOM 185 HG13 VAL X 13 11.208 -5.320 13.714 1.00 0.00 H ATOM 186 HG21 VAL X 13 10.386 -7.849 12.039 1.00 0.00 H ATOM 187 HG22 VAL X 13 11.193 -9.046 13.082 1.00 0.00 H ATOM 188 HG23 VAL X 13 10.291 -7.695 13.811 1.00 0.00 H ATOM 189 H VAL X 13 13.462 -9.575 12.507 1.00 0.00 H ATOM 190 N THR X 14 14.830 -5.955 11.167 1.00 11.61 N ATOM 191 CA THR X 14 16.132 -5.295 11.291 1.00 11.59 C ATOM 192 C THR X 14 16.139 -4.288 12.477 1.00 11.66 C ATOM 193 O THR X 14 15.130 -4.113 13.156 1.00 13.20 O ATOM 194 CB THR X 14 16.549 -4.553 9.984 1.00 11.12 C ATOM 195 OG1 THR X 14 15.644 -3.484 9.767 1.00 10.97 O ATOM 196 CG2 THR X 14 16.560 -5.445 8.768 1.00 9.40 C ATOM 197 HA THR X 14 16.858 -6.086 11.480 1.00 0.00 H ATOM 198 HB THR X 14 17.570 -4.197 10.122 1.00 0.00 H ATOM 199 HG1 THR X 14 15.896 -3.003 8.939 1.00 0.00 H ATOM 200 HG23 THR X 14 17.255 -6.269 8.930 1.00 0.00 H ATOM 201 HG21 THR X 14 15.558 -5.840 8.600 1.00 0.00 H ATOM 202 HG22 THR X 14 16.875 -4.868 7.899 1.00 0.00 H ATOM 203 H THR X 14 14.163 -5.646 10.432 1.00 0.00 H ATOM 204 N ALA X 15 17.274 -3.650 12.712 1.00 10.76 N ATOM 205 CA ALA X 15 17.455 -2.748 13.795 1.00 10.61 C ATOM 206 C ALA X 15 16.625 -1.461 13.694 1.00 10.02 C ATOM 207 O ALA X 15 16.261 -1.010 12.590 1.00 10.34 O ATOM 208 CB ALA X 15 18.969 -2.429 13.973 1.00 10.38 C ATOM 209 HA ALA X 15 17.077 -3.256 14.682 1.00 0.00 H ATOM 210 HB1 ALA X 15 19.512 -3.352 14.179 1.00 0.00 H ATOM 211 HB2 ALA X 15 19.353 -1.976 13.059 1.00 0.00 H ATOM 212 HB3 ALA X 15 19.098 -1.737 14.805 1.00 0.00 H ATOM 213 H ALA X 15 18.075 -3.817 12.071 1.00 0.00 H ATOM 214 N VAL X 16 16.318 -0.864 14.856 1.00 9.97 N ATOM 215 CA VAL X 16 15.574 0.417 14.894 1.00 9.04 C ATOM 216 C VAL X 16 16.430 1.486 14.242 1.00 9.25 C ATOM 217 O VAL X 16 17.628 1.530 14.461 1.00 10.05 O ATOM 218 CB VAL X 16 15.145 0.826 16.300 1.00 8.68 C ATOM 219 CG1 VAL X 16 14.417 2.243 16.292 1.00 8.64 C ATOM 220 CG2 VAL X 16 14.248 -0.260 16.910 1.00 6.32 C ATOM 221 HA VAL X 16 14.643 0.289 14.342 1.00 0.00 H ATOM 222 HB VAL X 16 16.036 0.927 16.920 1.00 0.00 H ATOM 223 HG11 VAL X 16 15.100 2.999 15.903 1.00 0.00 H ATOM 224 HG12 VAL X 16 13.531 2.191 15.659 1.00 0.00 H ATOM 225 HG13 VAL X 16 14.124 2.505 17.309 1.00 0.00 H ATOM 226 HG21 VAL X 16 13.363 -0.390 16.287 1.00 0.00 H ATOM 227 HG22 VAL X 16 14.800 -1.199 16.961 1.00 0.00 H ATOM 228 HG23 VAL X 16 13.947 0.041 17.913 1.00 0.00 H ATOM 229 H VAL X 16 16.609 -1.310 15.749 1.00 0.00 H ATOM 230 N LYS X 17 15.825 2.302 13.395 1.00 9.65 N ATOM 231 CA LYS X 17 16.564 3.285 12.627 1.00 9.80 C ATOM 232 C LYS X 17 16.172 4.672 13.085 1.00 10.28 C ATOM 233 O LYS X 17 15.506 4.858 14.122 1.00 10.22 O ATOM 234 CB LYS X 17 16.325 3.097 11.132 1.00 10.73 C ATOM 235 CG LYS X 17 16.886 1.787 10.521 1.00 9.83 C ATOM 236 CD LYS X 17 16.484 1.727 9.091 1.00 11.04 C ATOM 237 CE LYS X 17 16.510 0.308 8.477 1.00 9.99 C ATOM 238 NZ LYS X 17 16.543 0.420 6.985 1.00 8.20 N ATOM 239 HA LYS X 17 17.632 3.151 12.797 1.00 0.00 H ATOM 240 HB2 LYS X 17 15.249 3.113 10.960 1.00 0.00 H ATOM 241 HB3 LYS X 17 16.788 3.935 10.611 1.00 0.00 H ATOM 242 HG2 LYS X 17 17.973 1.780 10.599 1.00 0.00 H ATOM 243 HG3 LYS X 17 16.479 0.928 11.054 1.00 0.00 H ATOM 244 HD2 LYS X 17 15.470 2.117 9.005 1.00 0.00 H ATOM 245 HD3 LYS X 17 17.164 2.358 8.519 1.00 0.00 H ATOM 246 HE2 LYS X 17 15.618 -0.239 8.783 1.00 0.00 H ATOM 247 HE3 LYS X 17 17.396 -0.223 8.823 1.00 0.00 H ATOM 248 HZ1 LYS X 17 15.696 0.928 6.658 1.00 0.00 H ATOM 249 HZ2 LYS X 17 17.395 0.942 6.697 1.00 0.00 H ATOM 250 HZ3 LYS X 17 16.561 -0.532 6.567 1.00 0.00 H ATOM 251 H LYS X 17 14.794 2.237 13.277 1.00 0.00 H ATOM 252 N ASP X 18 16.607 5.677 12.345 1.00 11.37 N ATOM 253 CA ASP X 18 16.416 7.048 12.814 1.00 11.89 C ATOM 254 C ASP X 18 16.103 7.982 11.661 1.00 11.92 C ATOM 255 O ASP X 18 16.988 8.341 10.873 1.00 10.84 O ATOM 256 CB ASP X 18 17.680 7.473 13.591 1.00 12.99 C ATOM 257 CG ASP X 18 17.685 8.944 13.990 1.00 14.81 C ATOM 258 OD1 ASP X 18 18.805 9.514 14.127 1.00 17.53 O ATOM 259 OD2 ASP X 18 16.590 9.524 14.184 1.00 16.67 O ATOM 260 HA ASP X 18 15.556 7.102 13.482 1.00 0.00 H ATOM 261 HB2 ASP X 18 17.747 6.870 14.496 1.00 0.00 H ATOM 262 HB3 ASP X 18 18.551 7.283 12.964 1.00 0.00 H ATOM 263 H ASP X 18 17.081 5.494 11.437 1.00 0.00 H ATOM 264 N GLN X 19 14.833 8.384 11.593 1.00 12.24 N ATOM 265 CA GLN X 19 14.370 9.311 10.604 1.00 12.48 C ATOM 266 C GLN X 19 14.923 10.707 10.758 1.00 13.93 C ATOM 267 O GLN X 19 15.041 11.452 9.762 1.00 14.76 O ATOM 268 CB GLN X 19 12.831 9.291 10.493 1.00 13.55 C ATOM 269 CG GLN X 19 12.080 9.828 11.614 1.00 13.73 C ATOM 270 CD GLN X 19 10.583 9.759 11.386 1.00 18.13 C ATOM 271 OE1 GLN X 19 9.938 8.680 11.477 1.00 18.08 O ATOM 272 NE2 GLN X 19 10.004 10.910 11.160 1.00 14.28 N ATOM 273 HA GLN X 19 14.776 8.962 9.654 1.00 0.00 H ATOM 274 HB2 GLN X 19 12.558 9.866 9.609 1.00 0.00 H ATOM 275 HB3 GLN X 19 12.525 8.254 10.359 1.00 0.00 H ATOM 276 HG2 GLN X 19 12.326 9.255 12.508 1.00 0.00 H ATOM 277 HG3 GLN X 19 12.365 10.870 11.761 1.00 0.00 H ATOM 278 HE22 GLN X 19 10.576 11.776 11.093 1.00 0.00 H ATOM 279 HE21 GLN X 19 8.971 10.959 11.048 1.00 0.00 H ATOM 280 H GLN X 19 14.153 8.010 12.285 1.00 0.00 H ATOM 281 N GLY X 20 15.316 11.068 11.973 1.00 15.32 N ATOM 282 CA GLY X 20 15.906 12.401 12.221 1.00 16.65 C ATOM 283 C GLY X 20 14.826 13.466 12.139 1.00 17.90 C ATOM 284 O GLY X 20 13.678 13.227 12.560 1.00 18.47 O ATOM 285 HA3 GLY X 20 16.671 12.603 11.472 1.00 0.00 H ATOM 286 HA2 GLY X 20 16.357 12.418 13.213 1.00 0.00 H ATOM 287 H GLY X 20 15.207 10.402 12.764 1.00 0.00 H ATOM 288 N GLN X 21 15.163 14.627 11.581 1.00 18.93 N ATOM 289 CA GLN X 21 14.169 15.696 11.389 1.00 20.55 C ATOM 290 C GLN X 21 13.462 15.687 10.034 1.00 20.21 C ATOM 291 O GLN X 21 12.805 16.657 9.674 1.00 21.86 O ATOM 292 CB GLN X 21 14.774 17.093 11.601 1.00 21.54 C ATOM 293 CG GLN X 21 15.264 17.424 12.973 1.00 24.81 C ATOM 294 CD GLN X 21 16.136 18.695 12.895 1.00 33.96 C ATOM 295 OE1 GLN X 21 17.386 18.628 13.023 1.00 34.73 O ATOM 296 NE2 GLN X 21 15.486 19.856 12.628 1.00 32.40 N ATOM 297 HA GLN X 21 13.421 15.478 12.152 1.00 0.00 H ATOM 298 HB2 GLN X 21 15.618 17.192 10.918 1.00 0.00 H ATOM 299 HB3 GLN X 21 14.009 17.825 11.340 1.00 0.00 H ATOM 300 HG2 GLN X 21 14.415 17.602 13.633 1.00 0.00 H ATOM 301 HG3 GLN X 21 15.857 16.596 13.361 1.00 0.00 H ATOM 302 HE22 GLN X 21 14.451 19.862 12.531 1.00 0.00 H ATOM 303 HE21 GLN X 21 16.023 20.740 12.521 1.00 0.00 H ATOM 304 H GLN X 21 16.145 14.781 11.276 1.00 0.00 H ATOM 305 N CYS X 22 13.562 14.611 9.276 1.00 18.37 N ATOM 306 CA CYS X 22 12.814 14.546 8.050 1.00 17.22 C ATOM 307 C CYS X 22 11.419 13.912 8.323 1.00 15.93 C ATOM 308 O CYS X 22 11.318 12.966 9.082 1.00 17.36 O ATOM 309 CB CYS X 22 13.662 13.722 7.091 1.00 17.33 C ATOM 310 SG CYS X 22 13.035 13.478 5.458 1.00 16.19 S ATOM 311 HA CYS X 22 12.617 15.527 7.617 1.00 0.00 H ATOM 312 HB2 CYS X 22 13.800 12.738 7.539 1.00 0.00 H ATOM 313 HB3 CYS X 22 14.629 14.218 7.000 1.00 0.00 H ATOM 314 H CYS X 22 14.174 13.820 9.562 1.00 0.00 H ATOM 315 N GLY X 23 10.338 14.418 7.741 1.00 14.95 N ATOM 316 CA GLY X 23 9.000 13.769 7.909 1.00 14.39 C ATOM 317 C GLY X 23 8.891 12.504 7.029 1.00 13.88 C ATOM 318 O GLY X 23 7.959 12.346 6.258 1.00 14.16 O ATOM 319 HA3 GLY X 23 8.221 14.475 7.620 1.00 0.00 H ATOM 320 HA2 GLY X 23 8.866 13.490 8.954 1.00 0.00 H ATOM 321 H GLY X 23 10.422 15.277 7.161 1.00 0.00 H ATOM 322 N SER X 24 9.880 11.617 7.136 1.00 13.60 N ATOM 323 CA SER X 24 10.012 10.446 6.271 1.00 12.08 C ATOM 324 C SER X 24 9.451 9.129 6.899 1.00 10.61 C ATOM 325 O SER X 24 9.794 8.055 6.485 1.00 11.70 O ATOM 326 CB SER X 24 11.477 10.335 5.854 1.00 12.32 C ATOM 327 OG SER X 24 12.322 10.226 6.994 1.00 14.45 O ATOM 328 HA SER X 24 9.387 10.586 5.389 1.00 0.00 H ATOM 329 HB2 SER X 24 11.755 11.223 5.287 1.00 0.00 H ATOM 330 HB3 SER X 24 11.605 9.451 5.229 1.00 0.00 H ATOM 331 HG SER X 24 13.264 10.155 6.699 1.00 0.00 H ATOM 332 H SER X 24 10.597 11.766 7.875 1.00 0.00 H ATOM 333 N CYS X 25 8.591 9.214 7.909 1.00 9.32 N ATOM 334 CA CYS X 25 8.063 8.020 8.581 1.00 8.73 C ATOM 335 C CYS X 25 7.495 6.992 7.567 1.00 8.46 C ATOM 336 O CYS X 25 7.773 5.794 7.620 1.00 8.26 O ATOM 337 CB CYS X 25 6.971 8.418 9.553 1.00 7.76 C ATOM 338 SG CYS X 25 5.672 9.494 8.792 1.00 9.40 S ATOM 339 HA CYS X 25 8.889 7.550 9.115 1.00 0.00 H ATOM 340 HB2 CYS X 25 7.426 8.959 10.383 1.00 0.00 H ATOM 341 HB3 CYS X 25 6.494 7.512 9.929 1.00 0.00 H ATOM 342 HG CYS X 25 4.722 9.807 9.742 1.00 0.00 H ATOM 343 H CYS X 25 8.283 10.153 8.233 1.00 0.00 H ATOM 344 N TRP X 26 6.739 7.505 6.609 1.00 7.70 N ATOM 345 CA TRP X 26 6.187 6.716 5.496 1.00 6.47 C ATOM 346 C TRP X 26 7.241 5.814 4.813 1.00 6.07 C ATOM 347 O TRP X 26 6.955 4.678 4.452 1.00 6.30 O ATOM 348 CB TRP X 26 5.509 7.655 4.522 1.00 4.96 C ATOM 349 CG TRP X 26 6.455 8.604 3.868 1.00 4.12 C ATOM 350 CD1 TRP X 26 6.902 9.804 4.357 1.00 4.61 C ATOM 351 CD2 TRP X 26 7.110 8.414 2.580 1.00 3.96 C ATOM 352 NE1 TRP X 26 7.784 10.384 3.435 1.00 5.18 N ATOM 353 CE2 TRP X 26 7.908 9.539 2.346 1.00 3.45 C ATOM 354 CE3 TRP X 26 7.035 7.411 1.583 1.00 2.64 C ATOM 355 CZ2 TRP X 26 8.691 9.662 1.180 1.00 6.56 C ATOM 356 CZ3 TRP X 26 7.773 7.549 0.456 1.00 3.36 C ATOM 357 CH2 TRP X 26 8.601 8.658 0.254 1.00 4.09 C ATOM 358 HA TRP X 26 5.449 6.021 5.895 1.00 0.00 H ATOM 359 HB2 TRP X 26 5.023 7.061 3.748 1.00 0.00 H ATOM 360 HB3 TRP X 26 4.757 8.231 5.062 1.00 0.00 H ATOM 361 HE1 TRP X 26 8.266 11.298 3.550 1.00 0.00 H ATOM 362 HD1 TRP X 26 6.616 10.240 5.314 1.00 0.00 H ATOM 363 HZ2 TRP X 26 9.342 10.522 1.022 1.00 0.00 H ATOM 364 HH2 TRP X 26 9.188 8.724 -0.662 1.00 0.00 H ATOM 365 HZ3 TRP X 26 7.720 6.777 -0.312 1.00 0.00 H ATOM 366 HE3 TRP X 26 6.393 6.541 1.721 1.00 0.00 H ATOM 367 H TRP X 26 6.523 8.522 6.645 1.00 0.00 H ATOM 368 N ALA X 27 8.458 6.336 4.680 1.00 5.09 N ATOM 369 CA ALA X 27 9.542 5.691 3.968 1.00 5.46 C ATOM 370 C ALA X 27 10.045 4.573 4.839 1.00 5.85 C ATOM 371 O ALA X 27 10.307 3.483 4.369 1.00 6.27 O ATOM 372 CB ALA X 27 10.656 6.707 3.684 1.00 3.59 C ATOM 373 HA ALA X 27 9.204 5.297 3.010 1.00 0.00 H ATOM 374 HB1 ALA X 27 10.258 7.520 3.076 1.00 0.00 H ATOM 375 HB2 ALA X 27 11.031 7.106 4.626 1.00 0.00 H ATOM 376 HB3 ALA X 27 11.467 6.214 3.148 1.00 0.00 H ATOM 377 H ALA X 27 8.642 7.263 5.114 1.00 0.00 H ATOM 378 N PHE X 28 10.126 4.862 6.139 1.00 7.60 N ATOM 379 CA PHE X 28 10.573 3.904 7.171 1.00 7.17 C ATOM 380 C PHE X 28 9.521 2.805 7.402 1.00 7.19 C ATOM 381 O PHE X 28 9.865 1.598 7.518 1.00 7.29 O ATOM 382 CB PHE X 28 10.957 4.688 8.458 1.00 6.67 C ATOM 383 CG PHE X 28 12.346 5.333 8.393 1.00 4.82 C ATOM 384 CD1 PHE X 28 12.524 6.577 7.848 1.00 6.39 C ATOM 385 CD2 PHE X 28 13.471 4.673 8.907 1.00 6.13 C ATOM 386 CE1 PHE X 28 13.802 7.178 7.765 1.00 4.56 C ATOM 387 CE2 PHE X 28 14.778 5.262 8.855 1.00 3.19 C ATOM 388 CZ PHE X 28 14.925 6.525 8.254 1.00 5.83 C ATOM 389 HA PHE X 28 11.465 3.375 6.834 1.00 0.00 H ATOM 390 HB2 PHE X 28 10.219 5.474 8.616 1.00 0.00 H ATOM 391 HB3 PHE X 28 10.937 3.998 9.301 1.00 0.00 H ATOM 392 HD2 PHE X 28 13.350 3.688 9.357 1.00 0.00 H ATOM 393 HE2 PHE X 28 15.640 4.741 9.273 1.00 0.00 H ATOM 394 HZ PHE X 28 15.910 6.986 8.173 1.00 0.00 H ATOM 395 HE1 PHE X 28 13.906 8.164 7.312 1.00 0.00 H ATOM 396 HD1 PHE X 28 11.658 7.118 7.468 1.00 0.00 H ATOM 397 H PHE X 28 9.858 5.819 6.444 1.00 0.00 H ATOM 398 N SER X 29 8.241 3.206 7.426 1.00 5.88 N ATOM 399 CA SER X 29 7.161 2.251 7.476 1.00 5.62 C ATOM 400 C SER X 29 7.231 1.243 6.316 1.00 6.25 C ATOM 401 O SER X 29 7.261 0.030 6.531 1.00 6.67 O ATOM 402 CB SER X 29 5.829 2.978 7.430 1.00 6.20 C ATOM 403 OG SER X 29 4.790 2.049 7.731 1.00 8.00 O ATOM 404 HA SER X 29 7.256 1.697 8.410 1.00 0.00 H ATOM 405 HB2 SER X 29 5.672 3.394 6.435 1.00 0.00 H ATOM 406 HB3 SER X 29 5.825 3.784 8.164 1.00 0.00 H ATOM 407 HG SER X 29 4.937 1.673 8.635 1.00 0.00 H ATOM 408 H SER X 29 8.024 4.223 7.408 1.00 0.00 H ATOM 409 N ALA X 30 7.262 1.752 5.086 1.00 5.32 N ATOM 410 CA ALA X 30 7.239 0.918 3.895 1.00 5.83 C ATOM 411 C ALA X 30 8.522 0.071 3.729 1.00 6.12 C ATOM 412 O ALA X 30 8.430 -1.148 3.379 1.00 6.23 O ATOM 413 CB ALA X 30 7.008 1.817 2.596 1.00 4.51 C ATOM 414 HA ALA X 30 6.410 0.221 4.016 1.00 0.00 H ATOM 415 HB1 ALA X 30 6.056 2.341 2.683 1.00 0.00 H ATOM 416 HB2 ALA X 30 7.817 2.542 2.509 1.00 0.00 H ATOM 417 HB3 ALA X 30 6.993 1.179 1.712 1.00 0.00 H ATOM 418 H ALA X 30 7.304 2.785 4.973 1.00 0.00 H ATOM 419 N ILE X 31 9.700 0.703 3.889 1.00 5.33 N ATOM 420 CA ILE X 31 10.955 -0.066 3.735 1.00 5.80 C ATOM 421 C ILE X 31 11.101 -1.136 4.853 1.00 6.91 C ATOM 422 O ILE X 31 11.588 -2.279 4.593 1.00 8.61 O ATOM 423 CB ILE X 31 12.231 0.818 3.660 1.00 6.40 C ATOM 424 CG1 ILE X 31 12.242 1.672 2.383 1.00 6.83 C ATOM 425 CG2 ILE X 31 13.627 -0.057 3.784 1.00 4.18 C ATOM 426 CD1 ILE X 31 12.212 0.811 1.047 1.00 8.30 C ATOM 427 HA ILE X 31 10.872 -0.564 2.769 1.00 0.00 H ATOM 428 HB ILE X 31 12.193 1.481 4.525 1.00 0.00 H ATOM 429 HG12 ILE X 31 11.368 2.323 2.395 1.00 0.00 H ATOM 430 HG13 ILE X 31 13.146 2.281 2.382 1.00 0.00 H ATOM 431 HD11 ILE X 31 13.087 0.162 1.015 1.00 0.00 H ATOM 432 HD12 ILE X 31 11.307 0.204 1.028 1.00 0.00 H ATOM 433 HD13 ILE X 31 12.222 1.479 0.186 1.00 0.00 H ATOM 434 HG21 ILE X 31 13.642 -0.582 4.739 1.00 0.00 H ATOM 435 HG22 ILE X 31 13.675 -0.780 2.970 1.00 0.00 H ATOM 436 HG23 ILE X 31 14.483 0.616 3.725 1.00 0.00 H ATOM 437 H ILE X 31 9.728 1.717 4.118 1.00 0.00 H ATOM 438 N GLY X 32 10.706 -0.791 6.078 1.00 5.41 N ATOM 439 CA GLY X 32 10.646 -1.793 7.124 1.00 6.93 C ATOM 440 C GLY X 32 9.777 -2.992 6.720 1.00 7.90 C ATOM 441 O GLY X 32 10.139 -4.136 6.931 1.00 7.42 O ATOM 442 HA3 GLY X 32 10.226 -1.340 8.022 1.00 0.00 H ATOM 443 HA2 GLY X 32 11.656 -2.145 7.334 1.00 0.00 H ATOM 444 H GLY X 32 10.442 0.194 6.283 1.00 0.00 H ATOM 445 N ASN X 33 8.592 -2.726 6.163 1.00 8.02 N ATOM 446 CA ASN X 33 7.770 -3.834 5.696 1.00 8.05 C ATOM 447 C ASN X 33 8.492 -4.637 4.571 1.00 7.25 C ATOM 448 O ASN X 33 8.538 -5.856 4.603 1.00 6.71 O ATOM 449 CB ASN X 33 6.344 -3.356 5.300 1.00 7.19 C ATOM 450 CG ASN X 33 5.624 -4.354 4.447 1.00 7.27 C ATOM 451 OD1 ASN X 33 5.734 -4.321 3.236 1.00 10.16 O ATOM 452 ND2 ASN X 33 4.900 -5.262 5.068 1.00 7.04 N ATOM 453 HA ASN X 33 7.631 -4.531 6.522 1.00 0.00 H ATOM 454 HB2 ASN X 33 5.765 -3.189 6.209 1.00 0.00 H ATOM 455 HB3 ASN X 33 6.429 -2.420 4.748 1.00 0.00 H ATOM 456 HD22 ASN X 33 4.833 -5.253 6.106 1.00 0.00 H ATOM 457 HD21 ASN X 33 4.395 -5.988 4.521 1.00 0.00 H ATOM 458 H ASN X 33 8.262 -1.745 6.065 1.00 0.00 H ATOM 459 N VAL X 34 9.055 -3.956 3.587 1.00 6.75 N ATOM 460 CA VAL X 34 9.840 -4.694 2.550 1.00 6.42 C ATOM 461 C VAL X 34 11.033 -5.487 3.127 1.00 7.06 C ATOM 462 O VAL X 34 11.293 -6.587 2.654 1.00 6.63 O ATOM 463 CB VAL X 34 10.379 -3.794 1.376 1.00 6.66 C ATOM 464 CG1 VAL X 34 11.051 -4.682 0.321 1.00 4.48 C ATOM 465 CG2 VAL X 34 9.255 -2.887 0.779 1.00 2.40 C ATOM 466 HA VAL X 34 9.100 -5.386 2.147 1.00 0.00 H ATOM 467 HB VAL X 34 11.130 -3.107 1.766 1.00 0.00 H ATOM 468 HG11 VAL X 34 11.881 -5.222 0.777 1.00 0.00 H ATOM 469 HG12 VAL X 34 10.324 -5.394 -0.069 1.00 0.00 H ATOM 470 HG13 VAL X 34 11.424 -4.059 -0.492 1.00 0.00 H ATOM 471 HG21 VAL X 34 8.452 -3.514 0.391 1.00 0.00 H ATOM 472 HG22 VAL X 34 8.863 -2.235 1.560 1.00 0.00 H ATOM 473 HG23 VAL X 34 9.668 -2.282 -0.028 1.00 0.00 H ATOM 474 H VAL X 34 8.953 -2.922 3.535 1.00 0.00 H ATOM 475 N GLU X 35 11.732 -4.973 4.154 1.00 6.69 N ATOM 476 CA GLU X 35 12.879 -5.748 4.697 1.00 7.50 C ATOM 477 C GLU X 35 12.371 -7.023 5.227 1.00 7.49 C ATOM 478 O GLU X 35 12.998 -8.042 5.057 1.00 8.61 O ATOM 479 CB GLU X 35 13.634 -5.033 5.821 1.00 6.63 C ATOM 480 CG GLU X 35 14.477 -3.939 5.306 1.00 7.05 C ATOM 481 CD GLU X 35 14.812 -2.939 6.372 1.00 8.59 C ATOM 482 OE1 GLU X 35 14.216 -3.017 7.496 1.00 11.63 O ATOM 483 OE2 GLU X 35 15.632 -2.075 6.063 1.00 3.36 O ATOM 484 HA GLU X 35 13.582 -5.885 3.875 1.00 0.00 H ATOM 485 HB2 GLU X 35 12.911 -4.620 6.525 1.00 0.00 H ATOM 486 HB3 GLU X 35 14.268 -5.755 6.335 1.00 0.00 H ATOM 487 HG2 GLU X 35 15.403 -4.362 4.916 1.00 0.00 H ATOM 488 HG3 GLU X 35 13.944 -3.432 4.502 1.00 0.00 H ATOM 489 H GLU X 35 11.475 -4.051 4.561 1.00 0.00 H ATOM 490 N CYS X 36 11.222 -6.960 5.890 1.00 8.48 N ATOM 491 CA CYS X 36 10.703 -8.145 6.603 1.00 8.11 C ATOM 492 C CYS X 36 10.171 -9.162 5.629 1.00 8.32 C ATOM 493 O CYS X 36 10.423 -10.366 5.789 1.00 7.86 O ATOM 494 CB CYS X 36 9.597 -7.747 7.562 1.00 7.34 C ATOM 495 SG CYS X 36 10.166 -6.843 9.028 1.00 8.11 S ATOM 496 HA CYS X 36 11.528 -8.584 7.164 1.00 0.00 H ATOM 497 HB2 CYS X 36 9.091 -8.653 7.895 1.00 0.00 H ATOM 498 HB3 CYS X 36 8.890 -7.115 7.024 1.00 0.00 H ATOM 499 HG CYS X 36 11.051 -7.630 9.737 1.00 0.00 H ATOM 500 H CYS X 36 10.684 -6.070 5.907 1.00 0.00 H ATOM 501 N GLN X 37 9.400 -8.655 4.658 1.00 8.12 N ATOM 502 CA GLN X 37 8.738 -9.462 3.635 1.00 9.29 C ATOM 503 C GLN X 37 9.785 -10.191 2.781 1.00 9.70 C ATOM 504 O GLN X 37 9.614 -11.373 2.469 1.00 10.38 O ATOM 505 CB GLN X 37 7.812 -8.596 2.748 1.00 8.13 C ATOM 506 CG GLN X 37 6.487 -8.200 3.461 1.00 9.13 C ATOM 507 CD GLN X 37 5.750 -9.428 3.992 1.00 9.82 C ATOM 508 OE1 GLN X 37 5.510 -10.355 3.242 1.00 10.57 O ATOM 509 NE2 GLN X 37 5.446 -9.459 5.297 1.00 6.40 N ATOM 510 HA GLN X 37 8.114 -10.203 4.135 1.00 0.00 H ATOM 511 HB2 GLN X 37 8.345 -7.686 2.473 1.00 0.00 H ATOM 512 HB3 GLN X 37 7.568 -9.158 1.847 1.00 0.00 H ATOM 513 HG2 GLN X 37 6.717 -7.537 4.295 1.00 0.00 H ATOM 514 HG3 GLN X 37 5.844 -7.680 2.751 1.00 0.00 H ATOM 515 HE22 GLN X 37 5.669 -8.643 5.902 1.00 0.00 H ATOM 516 HE21 GLN X 37 4.987 -10.299 5.704 1.00 0.00 H ATOM 517 H GLN X 37 9.264 -7.624 4.630 1.00 0.00 H ATOM 518 N TRP X 38 10.854 -9.486 2.420 1.00 9.95 N ATOM 519 CA TRP X 38 11.980 -10.074 1.726 1.00 11.16 C ATOM 520 C TRP X 38 12.644 -11.182 2.541 1.00 11.46 C ATOM 521 O TRP X 38 12.903 -12.252 2.021 1.00 11.53 O ATOM 522 CB TRP X 38 12.974 -8.989 1.305 1.00 12.30 C ATOM 523 CG TRP X 38 14.193 -9.457 0.483 1.00 14.06 C ATOM 524 CD1 TRP X 38 15.488 -9.531 0.925 1.00 16.19 C ATOM 525 CD2 TRP X 38 14.228 -9.837 -0.916 1.00 14.74 C ATOM 526 NE1 TRP X 38 16.321 -9.957 -0.106 1.00 17.27 N ATOM 527 CE2 TRP X 38 15.571 -10.155 -1.234 1.00 16.16 C ATOM 528 CE3 TRP X 38 13.257 -9.929 -1.925 1.00 15.51 C ATOM 529 CZ2 TRP X 38 15.974 -10.562 -2.523 1.00 16.86 C ATOM 530 CZ3 TRP X 38 13.655 -10.350 -3.217 1.00 16.61 C ATOM 531 CH2 TRP X 38 15.004 -10.668 -3.497 1.00 14.94 C ATOM 532 HA TRP X 38 11.604 -10.552 0.821 1.00 0.00 H ATOM 533 HB2 TRP X 38 12.432 -8.256 0.707 1.00 0.00 H ATOM 534 HB3 TRP X 38 13.348 -8.512 2.211 1.00 0.00 H ATOM 535 HE1 TRP X 38 17.348 -10.102 -0.031 1.00 0.00 H ATOM 536 HD1 TRP X 38 15.818 -9.291 1.936 1.00 0.00 H ATOM 537 HZ2 TRP X 38 17.018 -10.785 -2.742 1.00 0.00 H ATOM 538 HH2 TRP X 38 15.281 -11.002 -4.497 1.00 0.00 H ATOM 539 HZ3 TRP X 38 12.910 -10.430 -4.008 1.00 0.00 H ATOM 540 HE3 TRP X 38 12.216 -9.681 -1.718 1.00 0.00 H ATOM 541 H TRP X 38 10.882 -8.471 2.646 1.00 0.00 H ATOM 542 N PHE X 39 12.930 -10.942 3.819 1.00 12.11 N ATOM 543 CA PHE X 39 13.480 -12.023 4.623 1.00 11.60 C ATOM 544 C PHE X 39 12.572 -13.275 4.559 1.00 12.79 C ATOM 545 O PHE X 39 13.043 -14.373 4.212 1.00 11.11 O ATOM 546 CB PHE X 39 13.756 -11.563 6.048 1.00 12.04 C ATOM 547 CG PHE X 39 14.153 -12.699 6.978 1.00 12.57 C ATOM 548 CD1 PHE X 39 13.188 -13.352 7.761 1.00 10.45 C ATOM 549 CD2 PHE X 39 15.466 -13.131 7.039 1.00 12.25 C ATOM 550 CE1 PHE X 39 13.543 -14.419 8.611 1.00 15.40 C ATOM 551 CE2 PHE X 39 15.826 -14.223 7.864 1.00 13.03 C ATOM 552 CZ PHE X 39 14.866 -14.861 8.652 1.00 13.44 C ATOM 553 HA PHE X 39 14.443 -12.313 4.203 1.00 0.00 H ATOM 554 HB2 PHE X 39 14.566 -10.834 6.026 1.00 0.00 H ATOM 555 HB3 PHE X 39 12.855 -11.092 6.441 1.00 0.00 H ATOM 556 HD2 PHE X 39 16.229 -12.626 6.447 1.00 0.00 H ATOM 557 HE2 PHE X 39 16.860 -14.568 7.884 1.00 0.00 H ATOM 558 HZ PHE X 39 15.147 -15.696 9.293 1.00 0.00 H ATOM 559 HE1 PHE X 39 12.787 -14.897 9.234 1.00 0.00 H ATOM 560 HD1 PHE X 39 12.148 -13.029 7.711 1.00 0.00 H ATOM 561 H PHE X 39 12.764 -10.003 4.233 1.00 0.00 H ATOM 562 N LEU X 40 11.273 -13.088 4.863 1.00 13.69 N ATOM 563 CA LEU X 40 10.274 -14.158 4.838 1.00 14.52 C ATOM 564 C LEU X 40 10.138 -14.900 3.474 1.00 15.90 C ATOM 565 O LEU X 40 9.724 -16.076 3.438 1.00 15.12 O ATOM 566 CB LEU X 40 8.905 -13.655 5.341 1.00 13.35 C ATOM 567 CG LEU X 40 8.972 -13.219 6.810 1.00 14.38 C ATOM 568 CD1 LEU X 40 7.695 -12.532 7.322 1.00 15.54 C ATOM 569 CD2 LEU X 40 9.315 -14.377 7.695 1.00 14.63 C ATOM 570 HA LEU X 40 10.653 -14.912 5.528 1.00 0.00 H ATOM 571 HB2 LEU X 40 8.594 -12.806 4.733 1.00 0.00 H ATOM 572 HB3 LEU X 40 8.174 -14.458 5.242 1.00 0.00 H ATOM 573 HG LEU X 40 9.763 -12.470 6.851 1.00 0.00 H ATOM 574 HD21 LEU X 40 8.553 -15.149 7.592 1.00 0.00 H ATOM 575 HD22 LEU X 40 10.285 -14.781 7.404 1.00 0.00 H ATOM 576 HD23 LEU X 40 9.356 -14.041 8.731 1.00 0.00 H ATOM 577 HD11 LEU X 40 7.503 -11.637 6.730 1.00 0.00 H ATOM 578 HD12 LEU X 40 6.853 -13.218 7.229 1.00 0.00 H ATOM 579 HD13 LEU X 40 7.827 -12.256 8.368 1.00 0.00 H ATOM 580 H LEU X 40 10.963 -12.132 5.130 1.00 0.00 H ATOM 581 N ALA X 41 10.477 -14.233 2.365 1.00 16.02 N ATOM 582 CA ALA X 41 10.450 -14.941 1.084 1.00 17.05 C ATOM 583 C ALA X 41 11.639 -15.917 0.940 1.00 17.87 C ATOM 584 O ALA X 41 11.706 -16.626 -0.021 1.00 18.65 O ATOM 585 CB ALA X 41 10.449 -13.972 -0.066 1.00 16.27 C ATOM 586 HA ALA X 41 9.528 -15.522 1.064 1.00 0.00 H ATOM 587 HB1 ALA X 41 9.569 -13.333 -0.000 1.00 0.00 H ATOM 588 HB2 ALA X 41 11.349 -13.359 -0.023 1.00 0.00 H ATOM 589 HB3 ALA X 41 10.429 -14.525 -1.005 1.00 0.00 H ATOM 590 H ALA X 41 10.754 -13.232 2.412 1.00 0.00 H ATOM 591 N GLY X 42 12.574 -15.921 1.871 1.00 17.74 N ATOM 592 CA GLY X 42 13.638 -16.860 1.821 1.00 19.04 C ATOM 593 C GLY X 42 14.971 -16.250 1.488 1.00 19.74 C ATOM 594 O GLY X 42 15.806 -16.918 0.882 1.00 20.22 O ATOM 595 HA3 GLY X 42 13.402 -17.607 1.063 1.00 0.00 H ATOM 596 HA2 GLY X 42 13.715 -17.344 2.794 1.00 0.00 H ATOM 597 H GLY X 42 12.531 -15.231 2.648 1.00 0.00 H ATOM 598 N HIS X 43 15.180 -14.986 1.857 1.00 20.46 N ATOM 599 CA HIS X 43 16.465 -14.306 1.575 1.00 21.26 C ATOM 600 C HIS X 43 17.069 -13.860 2.889 1.00 20.96 C ATOM 601 O HIS X 43 16.347 -13.791 3.889 1.00 20.65 O ATOM 602 CB HIS X 43 16.306 -13.144 0.546 1.00 22.21 C ATOM 603 CG HIS X 43 15.418 -13.498 -0.619 1.00 23.15 C ATOM 604 ND1 HIS X 43 15.893 -14.107 -1.760 1.00 22.54 N ATOM 605 CD2 HIS X 43 14.073 -13.415 -0.775 1.00 22.06 C ATOM 606 CE1 HIS X 43 14.885 -14.353 -2.580 1.00 20.03 C ATOM 607 NE2 HIS X 43 13.771 -13.946 -2.008 1.00 18.73 N ATOM 608 HA HIS X 43 17.151 -15.004 1.095 1.00 0.00 H ATOM 609 HB2 HIS X 43 15.878 -12.283 1.059 1.00 0.00 H ATOM 610 HB3 HIS X 43 17.293 -12.883 0.163 1.00 0.00 H ATOM 611 HD2 HIS X 43 13.363 -13.004 -0.057 1.00 0.00 H ATOM 612 HE1 HIS X 43 14.963 -14.815 -3.564 1.00 0.00 H ATOM 613 H HIS X 43 14.426 -14.468 2.352 1.00 0.00 H ATOM 614 N PRO X 44 18.411 -13.647 2.929 1.00 20.98 N ATOM 615 CA PRO X 44 18.979 -13.004 4.118 1.00 19.67 C ATOM 616 C PRO X 44 18.383 -11.625 4.397 1.00 18.49 C ATOM 617 O PRO X 44 18.028 -10.863 3.477 1.00 18.09 O ATOM 618 CB PRO X 44 20.482 -12.872 3.804 1.00 19.35 C ATOM 619 CG PRO X 44 20.649 -13.201 2.423 1.00 21.37 C ATOM 620 CD PRO X 44 19.467 -14.034 1.974 1.00 21.20 C ATOM 621 HA PRO X 44 18.767 -13.593 5.010 1.00 0.00 H ATOM 622 HD3 PRO X 44 19.180 -13.790 0.951 1.00 0.00 H ATOM 623 HD2 PRO X 44 19.688 -15.099 2.043 1.00 0.00 H ATOM 624 HG3 PRO X 44 21.570 -13.769 2.290 1.00 0.00 H ATOM 625 HG2 PRO X 44 20.699 -12.287 1.832 1.00 0.00 H ATOM 626 HB2 PRO X 44 20.816 -11.851 3.989 1.00 0.00 H ATOM 627 HB3 PRO X 44 21.057 -13.559 4.425 1.00 0.00 H ATOM 628 N LEU X 45 18.279 -11.337 5.686 1.00 17.13 N ATOM 629 CA LEU X 45 17.815 -10.094 6.152 1.00 15.87 C ATOM 630 C LEU X 45 18.855 -9.078 5.679 1.00 15.72 C ATOM 631 O LEU X 45 20.053 -9.208 5.948 1.00 16.17 O ATOM 632 CB LEU X 45 17.665 -10.144 7.683 1.00 16.01 C ATOM 633 CG LEU X 45 16.957 -8.951 8.345 1.00 15.01 C ATOM 634 CD1 LEU X 45 15.505 -8.820 7.871 1.00 14.07 C ATOM 635 CD2 LEU X 45 17.116 -8.903 9.846 1.00 14.84 C ATOM 636 HA LEU X 45 16.831 -9.822 5.770 1.00 0.00 H ATOM 637 HB2 LEU X 45 17.101 -11.043 7.931 1.00 0.00 H ATOM 638 HB3 LEU X 45 18.665 -10.215 8.111 1.00 0.00 H ATOM 639 HG LEU X 45 17.475 -8.056 8.000 1.00 0.00 H ATOM 640 HD21 LEU X 45 16.699 -9.810 10.283 1.00 0.00 H ATOM 641 HD22 LEU X 45 18.175 -8.831 10.096 1.00 0.00 H ATOM 642 HD23 LEU X 45 16.589 -8.034 10.238 1.00 0.00 H ATOM 643 HD11 LEU X 45 15.489 -8.674 6.791 1.00 0.00 H ATOM 644 HD12 LEU X 45 14.958 -9.728 8.124 1.00 0.00 H ATOM 645 HD13 LEU X 45 15.040 -7.965 8.362 1.00 0.00 H ATOM 646 H LEU X 45 18.552 -12.060 6.382 1.00 0.00 H ATOM 647 N THR X 46 18.380 -8.116 4.912 1.00 14.70 N ATOM 648 CA THR X 46 19.181 -7.097 4.319 1.00 14.51 C ATOM 649 C THR X 46 18.575 -5.775 4.747 1.00 13.35 C ATOM 650 O THR X 46 17.350 -5.622 4.727 1.00 12.68 O ATOM 651 CB THR X 46 19.116 -7.243 2.751 1.00 15.32 C ATOM 652 OG1 THR X 46 19.282 -8.633 2.392 1.00 18.02 O ATOM 653 CG2 THR X 46 20.185 -6.379 2.046 1.00 14.11 C ATOM 654 HA THR X 46 20.224 -7.164 4.627 1.00 0.00 H ATOM 655 HB THR X 46 18.141 -6.887 2.418 1.00 0.00 H ATOM 656 HG1 THR X 46 18.559 -9.168 2.805 1.00 0.00 H ATOM 657 HG23 THR X 46 20.048 -5.334 2.325 1.00 0.00 H ATOM 658 HG21 THR X 46 21.177 -6.711 2.351 1.00 0.00 H ATOM 659 HG22 THR X 46 20.081 -6.484 0.966 1.00 0.00 H ATOM 660 H THR X 46 17.356 -8.100 4.728 1.00 0.00 H ATOM 661 N ASN X 47 19.406 -4.826 5.152 1.00 12.76 N ATOM 662 CA ASN X 47 18.936 -3.442 5.381 1.00 13.57 C ATOM 663 C ASN X 47 18.776 -2.742 4.055 1.00 12.84 C ATOM 664 O ASN X 47 19.674 -2.789 3.194 1.00 10.77 O ATOM 665 CB ASN X 47 19.903 -2.616 6.239 1.00 13.90 C ATOM 666 CG ASN X 47 19.813 -2.984 7.690 1.00 17.67 C ATOM 667 OD1 ASN X 47 20.308 -4.041 8.092 1.00 22.75 O ATOM 668 ND2 ASN X 47 19.112 -2.161 8.484 1.00 19.28 N ATOM 669 HA ASN X 47 17.989 -3.518 5.915 1.00 0.00 H ATOM 670 HB2 ASN X 47 20.921 -2.792 5.892 1.00 0.00 H ATOM 671 HB3 ASN X 47 19.660 -1.559 6.127 1.00 0.00 H ATOM 672 HD22 ASN X 47 18.714 -1.281 8.099 1.00 0.00 H ATOM 673 HD21 ASN X 47 18.966 -2.403 9.485 1.00 0.00 H ATOM 674 H ASN X 47 20.407 -5.058 5.312 1.00 0.00 H ATOM 675 N LEU X 48 17.629 -2.080 3.903 1.00 11.91 N ATOM 676 CA LEU X 48 17.298 -1.500 2.606 1.00 10.86 C ATOM 677 C LEU X 48 17.143 -0.002 2.799 1.00 10.20 C ATOM 678 O LEU X 48 17.129 0.481 3.929 1.00 9.75 O ATOM 679 CB LEU X 48 16.031 -2.134 2.036 1.00 9.95 C ATOM 680 CG LEU X 48 16.039 -3.651 1.857 1.00 9.27 C ATOM 681 CD1 LEU X 48 14.583 -4.205 1.701 1.00 7.17 C ATOM 682 CD2 LEU X 48 16.839 -3.950 0.669 1.00 5.37 C ATOM 683 HA LEU X 48 18.090 -1.695 1.883 1.00 0.00 H ATOM 684 HB2 LEU X 48 15.208 -1.885 2.706 1.00 0.00 H ATOM 685 HB3 LEU X 48 15.850 -1.688 1.058 1.00 0.00 H ATOM 686 HG LEU X 48 16.469 -4.132 2.736 1.00 0.00 H ATOM 687 HD21 LEU X 48 16.392 -3.466 -0.200 1.00 0.00 H ATOM 688 HD22 LEU X 48 17.853 -3.578 0.812 1.00 0.00 H ATOM 689 HD23 LEU X 48 16.865 -5.028 0.512 1.00 0.00 H ATOM 690 HD11 LEU X 48 14.005 -3.961 2.592 1.00 0.00 H ATOM 691 HD12 LEU X 48 14.115 -3.752 0.827 1.00 0.00 H ATOM 692 HD13 LEU X 48 14.619 -5.287 1.575 1.00 0.00 H ATOM 693 H LEU X 48 16.974 -1.978 4.704 1.00 0.00 H ATOM 694 N SER X 49 16.976 0.718 1.693 1.00 9.67 N ATOM 695 CA SER X 49 17.198 2.153 1.704 1.00 8.07 C ATOM 696 C SER X 49 15.894 2.983 1.752 1.00 7.66 C ATOM 697 O SER X 49 15.123 2.996 0.816 1.00 5.54 O ATOM 698 CB SER X 49 17.955 2.505 0.458 1.00 6.60 C ATOM 699 OG SER X 49 18.026 3.892 0.365 1.00 7.60 O ATOM 700 HA SER X 49 17.750 2.397 2.612 1.00 0.00 H ATOM 701 HB2 SER X 49 17.438 2.103 -0.413 1.00 0.00 H ATOM 702 HB3 SER X 49 18.960 2.087 0.507 1.00 0.00 H ATOM 703 HG SER X 49 18.494 4.251 1.160 1.00 0.00 H ATOM 704 H SER X 49 16.684 0.249 0.812 1.00 0.00 H ATOM 705 N GLU X 50 15.690 3.700 2.846 1.00 6.96 N ATOM 706 CA GLU X 50 14.699 4.749 2.877 1.00 7.84 C ATOM 707 C GLU X 50 15.073 5.929 1.946 1.00 7.90 C ATOM 708 O GLU X 50 14.184 6.522 1.299 1.00 8.67 O ATOM 709 CB GLU X 50 14.451 5.225 4.347 1.00 7.72 C ATOM 710 CG GLU X 50 13.822 4.103 5.201 1.00 7.51 C ATOM 711 CD GLU X 50 14.820 3.131 5.837 1.00 10.17 C ATOM 712 OE1 GLU X 50 16.063 3.255 5.714 1.00 11.11 O ATOM 713 OE2 GLU X 50 14.343 2.227 6.540 1.00 12.25 O ATOM 714 HA GLU X 50 13.766 4.338 2.493 1.00 0.00 H ATOM 715 HB2 GLU X 50 15.402 5.519 4.791 1.00 0.00 H ATOM 716 HB3 GLU X 50 13.778 6.082 4.334 1.00 0.00 H ATOM 717 HG2 GLU X 50 13.248 4.570 6.002 1.00 0.00 H ATOM 718 HG3 GLU X 50 13.151 3.528 4.562 1.00 0.00 H ATOM 719 H GLU X 50 16.254 3.504 3.698 1.00 0.00 H ATOM 720 N GLN X 51 16.361 6.278 1.880 1.00 6.82 N ATOM 721 CA GLN X 51 16.771 7.433 1.075 1.00 7.60 C ATOM 722 C GLN X 51 16.332 7.299 -0.378 1.00 7.59 C ATOM 723 O GLN X 51 16.019 8.288 -1.015 1.00 8.06 O ATOM 724 CB GLN X 51 18.280 7.705 1.145 1.00 7.89 C ATOM 725 CG GLN X 51 18.678 9.156 0.690 1.00 8.18 C ATOM 726 CD GLN X 51 18.009 10.209 1.515 1.00 7.65 C ATOM 727 OE1 GLN X 51 18.126 10.193 2.721 1.00 10.10 O ATOM 728 NE2 GLN X 51 17.254 11.087 0.886 1.00 8.69 N ATOM 729 HA GLN X 51 16.261 8.290 1.515 1.00 0.00 H ATOM 730 HB2 GLN X 51 18.609 7.564 2.175 1.00 0.00 H ATOM 731 HB3 GLN X 51 18.790 6.989 0.501 1.00 0.00 H ATOM 732 HG2 GLN X 51 19.758 9.270 0.783 1.00 0.00 H ATOM 733 HG3 GLN X 51 18.388 9.289 -0.352 1.00 0.00 H ATOM 734 HE22 GLN X 51 17.183 11.063 -0.151 1.00 0.00 H ATOM 735 HE21 GLN X 51 16.729 11.804 1.427 1.00 0.00 H ATOM 736 H GLN X 51 17.075 5.729 2.401 1.00 0.00 H ATOM 737 N MET X 52 16.285 6.070 -0.879 1.00 7.51 N ATOM 738 CA MET X 52 15.796 5.804 -2.229 1.00 8.13 C ATOM 739 C MET X 52 14.406 6.423 -2.404 1.00 7.49 C ATOM 740 O MET X 52 14.189 7.187 -3.362 1.00 5.79 O ATOM 741 CB MET X 52 15.719 4.311 -2.466 1.00 7.41 C ATOM 742 CG MET X 52 15.313 3.959 -3.858 1.00 9.77 C ATOM 743 SD MET X 52 14.846 2.234 -3.977 1.00 11.87 S ATOM 744 CE MET X 52 13.442 2.215 -2.835 1.00 8.51 C ATOM 745 HA MET X 52 16.484 6.245 -2.950 1.00 0.00 H ATOM 746 HB2 MET X 52 16.700 3.877 -2.270 1.00 0.00 H ATOM 747 HB3 MET X 52 14.991 3.887 -1.774 1.00 0.00 H ATOM 748 HG2 MET X 52 16.149 4.149 -4.532 1.00 0.00 H ATOM 749 HG3 MET X 52 14.465 4.579 -4.149 1.00 0.00 H ATOM 750 HE1 MET X 52 13.778 2.517 -1.843 1.00 0.00 H ATOM 751 HE2 MET X 52 12.678 2.908 -3.188 1.00 0.00 H ATOM 752 HE3 MET X 52 13.027 1.208 -2.788 1.00 0.00 H ATOM 753 H MET X 52 16.606 5.273 -0.292 1.00 0.00 H ATOM 754 N LEU X 53 13.490 6.090 -1.478 1.00 7.10 N ATOM 755 CA LEU X 53 12.117 6.604 -1.494 1.00 7.29 C ATOM 756 C LEU X 53 12.072 8.124 -1.253 1.00 7.32 C ATOM 757 O LEU X 53 11.441 8.851 -2.001 1.00 8.37 O ATOM 758 CB LEU X 53 11.248 5.863 -0.450 1.00 7.14 C ATOM 759 CG LEU X 53 10.835 4.441 -0.819 1.00 8.50 C ATOM 760 CD1 LEU X 53 10.071 3.794 0.308 1.00 9.84 C ATOM 761 CD2 LEU X 53 10.023 4.351 -2.129 1.00 8.29 C ATOM 762 HA LEU X 53 11.709 6.418 -2.488 1.00 0.00 H ATOM 763 HB2 LEU X 53 11.811 5.817 0.482 1.00 0.00 H ATOM 764 HB3 LEU X 53 10.340 6.446 -0.296 1.00 0.00 H ATOM 765 HG LEU X 53 11.765 3.899 -0.991 1.00 0.00 H ATOM 766 HD21 LEU X 53 9.111 4.939 -2.031 1.00 0.00 H ATOM 767 HD22 LEU X 53 10.621 4.740 -2.953 1.00 0.00 H ATOM 768 HD23 LEU X 53 9.766 3.310 -2.325 1.00 0.00 H ATOM 769 HD11 LEU X 53 10.700 3.758 1.198 1.00 0.00 H ATOM 770 HD12 LEU X 53 9.174 4.377 0.519 1.00 0.00 H ATOM 771 HD13 LEU X 53 9.788 2.782 0.019 1.00 0.00 H ATOM 772 H LEU X 53 13.768 5.439 -0.716 1.00 0.00 H ATOM 773 N VAL X 54 12.752 8.602 -0.218 1.00 7.03 N ATOM 774 CA VAL X 54 12.684 10.015 0.158 1.00 7.01 C ATOM 775 C VAL X 54 13.124 10.881 -1.009 1.00 7.79 C ATOM 776 O VAL X 54 12.455 11.871 -1.349 1.00 7.00 O ATOM 777 CB VAL X 54 13.516 10.327 1.479 1.00 6.78 C ATOM 778 CG1 VAL X 54 13.473 11.759 1.855 1.00 6.30 C ATOM 779 CG2 VAL X 54 13.012 9.523 2.627 1.00 5.69 C ATOM 780 HA VAL X 54 11.647 10.255 0.394 1.00 0.00 H ATOM 781 HB VAL X 54 14.548 10.059 1.253 1.00 0.00 H ATOM 782 HG11 VAL X 54 13.891 12.358 1.046 1.00 0.00 H ATOM 783 HG12 VAL X 54 12.439 12.056 2.032 1.00 0.00 H ATOM 784 HG13 VAL X 54 14.057 11.913 2.762 1.00 0.00 H ATOM 785 HG21 VAL X 54 11.965 9.765 2.807 1.00 0.00 H ATOM 786 HG22 VAL X 54 13.106 8.462 2.395 1.00 0.00 H ATOM 787 HG23 VAL X 54 13.598 9.755 3.517 1.00 0.00 H ATOM 788 H VAL X 54 13.348 7.957 0.339 1.00 0.00 H ATOM 789 N SER X 55 14.260 10.496 -1.609 1.00 8.55 N ATOM 790 CA SER X 55 14.912 11.253 -2.725 1.00 8.62 C ATOM 791 C SER X 55 14.235 11.061 -4.087 1.00 9.59 C ATOM 792 O SER X 55 14.074 12.023 -4.828 1.00 9.89 O ATOM 793 CB SER X 55 16.407 10.849 -2.825 1.00 7.75 C ATOM 794 OG SER X 55 17.154 11.535 -1.807 1.00 9.64 O ATOM 795 HA SER X 55 14.809 12.310 -2.479 1.00 0.00 H ATOM 796 HB2 SER X 55 16.793 11.122 -3.807 1.00 0.00 H ATOM 797 HB3 SER X 55 16.504 9.772 -2.685 1.00 0.00 H ATOM 798 HG SER X 55 17.065 12.512 -1.936 1.00 0.00 H ATOM 799 H SER X 55 14.715 9.620 -1.280 1.00 0.00 H ATOM 800 N CYS X 56 13.878 9.806 -4.414 1.00 9.85 N ATOM 801 CA CYS X 56 13.486 9.421 -5.767 1.00 10.48 C ATOM 802 C CYS X 56 12.005 9.209 -5.980 1.00 10.03 C ATOM 803 O CYS X 56 11.578 9.253 -7.110 1.00 11.82 O ATOM 804 CB CYS X 56 14.232 8.183 -6.253 1.00 10.97 C ATOM 805 SG CYS X 56 16.008 8.327 -6.173 1.00 13.70 S ATOM 806 HA CYS X 56 13.768 10.293 -6.358 1.00 0.00 H ATOM 807 HB2 CYS X 56 13.949 7.997 -7.289 1.00 0.00 H ATOM 808 HB3 CYS X 56 13.929 7.336 -5.637 1.00 0.00 H ATOM 809 H CYS X 56 13.881 9.078 -3.671 1.00 0.00 H ATOM 810 N ASP X 57 11.226 8.948 -4.937 1.00 9.61 N ATOM 811 CA ASP X 57 9.798 8.665 -5.104 1.00 8.91 C ATOM 812 C ASP X 57 9.041 9.962 -5.235 1.00 9.86 C ATOM 813 O ASP X 57 8.581 10.538 -4.236 1.00 11.07 O ATOM 814 CB ASP X 57 9.275 7.848 -3.919 1.00 8.44 C ATOM 815 CG ASP X 57 7.741 7.698 -3.895 1.00 7.66 C ATOM 816 OD1 ASP X 57 7.103 8.052 -4.872 1.00 2.79 O ATOM 817 OD2 ASP X 57 7.159 7.202 -2.883 1.00 6.51 O ATOM 818 HA ASP X 57 9.650 8.077 -6.010 1.00 0.00 H ATOM 819 HB2 ASP X 57 9.717 6.853 -3.966 1.00 0.00 H ATOM 820 HB3 ASP X 57 9.587 8.340 -2.998 1.00 0.00 H ATOM 821 H ASP X 57 11.638 8.944 -3.982 1.00 0.00 H ATOM 822 N LYS X 58 8.844 10.399 -6.465 1.00 10.18 N ATOM 823 CA LYS X 58 8.178 11.691 -6.747 1.00 10.83 C ATOM 824 C LYS X 58 6.652 11.671 -6.620 1.00 10.41 C ATOM 825 O LYS X 58 5.981 12.690 -6.815 1.00 10.04 O ATOM 826 CB LYS X 58 8.604 12.197 -8.131 1.00 11.35 C ATOM 827 CG LYS X 58 10.093 12.461 -8.202 1.00 14.62 C ATOM 828 CD LYS X 58 10.569 13.201 -6.917 1.00 18.65 C ATOM 829 CE LYS X 58 12.122 13.239 -6.856 1.00 22.83 C ATOM 830 NZ LYS X 58 12.636 14.271 -5.863 1.00 21.65 N ATOM 831 HA LYS X 58 8.511 12.378 -5.969 1.00 0.00 H ATOM 832 HB2 LYS X 58 8.343 11.446 -8.877 1.00 0.00 H ATOM 833 HB3 LYS X 58 8.071 13.123 -8.347 1.00 0.00 H ATOM 834 HG2 LYS X 58 10.623 11.513 -8.289 1.00 0.00 H ATOM 835 HG3 LYS X 58 10.309 13.078 -9.074 1.00 0.00 H ATOM 836 HD2 LYS X 58 10.185 14.221 -6.927 1.00 0.00 H ATOM 837 HD3 LYS X 58 10.188 12.679 -6.040 1.00 0.00 H ATOM 838 HE2 LYS X 58 12.506 13.483 -7.846 1.00 0.00 H ATOM 839 HE3 LYS X 58 12.486 12.255 -6.559 1.00 0.00 H ATOM 840 HZ1 LYS X 58 12.301 15.215 -6.142 1.00 0.00 H ATOM 841 HZ2 LYS X 58 12.281 14.042 -4.912 1.00 0.00 H ATOM 842 HZ3 LYS X 58 13.676 14.258 -5.859 1.00 0.00 H ATOM 843 H LYS X 58 9.168 9.816 -7.263 1.00 0.00 H ATOM 844 N THR X 59 6.105 10.507 -6.266 1.00 10.14 N ATOM 845 CA THR X 59 4.653 10.378 -6.069 1.00 8.61 C ATOM 846 C THR X 59 4.343 10.568 -4.595 1.00 8.07 C ATOM 847 O THR X 59 3.164 10.638 -4.165 1.00 8.82 O ATOM 848 CB THR X 59 4.094 9.038 -6.555 1.00 8.33 C ATOM 849 OG1 THR X 59 4.316 8.088 -5.536 1.00 8.05 O ATOM 850 CG2 THR X 59 4.746 8.549 -7.858 1.00 6.11 C ATOM 851 HA THR X 59 4.168 11.146 -6.672 1.00 0.00 H ATOM 852 HB THR X 59 3.033 9.168 -6.770 1.00 0.00 H ATOM 853 HG1 THR X 59 5.288 8.014 -5.361 1.00 0.00 H ATOM 854 HG23 THR X 59 4.575 9.282 -8.646 1.00 0.00 H ATOM 855 HG21 THR X 59 5.818 8.425 -7.702 1.00 0.00 H ATOM 856 HG22 THR X 59 4.306 7.594 -8.147 1.00 0.00 H ATOM 857 H THR X 59 6.715 9.677 -6.127 1.00 0.00 H ATOM 858 N ASP X 60 5.408 10.791 -3.844 1.00 7.68 N ATOM 859 CA ASP X 60 5.338 11.163 -2.414 1.00 7.52 C ATOM 860 C ASP X 60 6.100 12.474 -2.185 1.00 8.46 C ATOM 861 O ASP X 60 6.689 12.993 -3.115 1.00 8.65 O ATOM 862 CB ASP X 60 5.874 10.031 -1.565 1.00 5.59 C ATOM 863 CG ASP X 60 4.855 8.920 -1.404 1.00 5.66 C ATOM 864 OD1 ASP X 60 3.764 9.172 -0.893 1.00 6.35 O ATOM 865 OD2 ASP X 60 5.097 7.804 -1.821 1.00 6.35 O ATOM 866 HA ASP X 60 4.302 11.330 -2.119 1.00 0.00 H ATOM 867 HB2 ASP X 60 6.767 9.625 -2.040 1.00 0.00 H ATOM 868 HB3 ASP X 60 6.132 10.419 -0.580 1.00 0.00 H ATOM 869 H ASP X 60 6.347 10.700 -4.283 1.00 0.00 H ATOM 870 N SER X 61 6.096 13.016 -0.970 1.00 9.77 N ATOM 871 CA SER X 61 6.544 14.414 -0.771 1.00 11.10 C ATOM 872 C SER X 61 7.821 14.569 0.063 1.00 12.33 C ATOM 873 O SER X 61 7.989 15.602 0.747 1.00 13.04 O ATOM 874 CB SER X 61 5.408 15.238 -0.145 1.00 10.85 C ATOM 875 OG SER X 61 4.454 15.636 -1.107 1.00 14.52 O ATOM 876 HA SER X 61 6.798 14.786 -1.764 1.00 0.00 H ATOM 877 HB2 SER X 61 5.833 16.128 0.320 1.00 0.00 H ATOM 878 HB3 SER X 61 4.912 14.634 0.615 1.00 0.00 H ATOM 879 HG SER X 61 3.741 16.163 -0.665 1.00 0.00 H ATOM 880 H SER X 61 5.776 12.455 -0.155 1.00 0.00 H ATOM 881 N GLY X 62 8.703 13.553 0.045 1.00 13.02 N ATOM 882 CA GLY X 62 9.994 13.670 0.690 1.00 13.98 C ATOM 883 C GLY X 62 9.879 13.777 2.208 1.00 14.09 C ATOM 884 O GLY X 62 9.262 12.938 2.834 1.00 14.01 O ATOM 885 HA3 GLY X 62 10.494 14.562 0.313 1.00 0.00 H ATOM 886 HA2 GLY X 62 10.589 12.790 0.445 1.00 0.00 H ATOM 887 H GLY X 62 8.453 12.668 -0.441 1.00 0.00 H ATOM 888 N CYS X 63 10.467 14.829 2.775 1.00 14.58 N ATOM 889 CA CYS X 63 10.433 15.115 4.206 1.00 14.40 C ATOM 890 C CYS X 63 9.183 15.792 4.629 1.00 13.91 C ATOM 891 O CYS X 63 9.034 16.083 5.804 1.00 14.27 O ATOM 892 CB CYS X 63 11.611 15.980 4.632 1.00 14.05 C ATOM 893 SG CYS X 63 13.173 15.197 4.443 1.00 16.73 S ATOM 894 HA CYS X 63 10.487 14.142 4.694 1.00 0.00 H ATOM 895 HB2 CYS X 63 11.483 16.242 5.682 1.00 0.00 H ATOM 896 HB3 CYS X 63 11.606 16.888 4.029 1.00 0.00 H ATOM 897 H CYS X 63 10.983 15.489 2.159 1.00 0.00 H ATOM 898 N SER X 64 8.275 16.039 3.705 1.00 14.48 N ATOM 899 CA SER X 64 6.977 16.613 4.061 1.00 15.10 C ATOM 900 C SER X 64 5.917 15.568 4.314 1.00 14.90 C ATOM 901 O SER X 64 4.967 15.825 5.021 1.00 15.57 O ATOM 902 CB SER X 64 6.459 17.520 2.973 1.00 15.55 C ATOM 903 OG SER X 64 7.352 18.565 2.756 1.00 17.33 O ATOM 904 HA SER X 64 7.160 17.170 4.980 1.00 0.00 H ATOM 905 HB2 SER X 64 5.493 17.927 3.272 1.00 0.00 H ATOM 906 HB3 SER X 64 6.342 16.949 2.052 1.00 0.00 H ATOM 907 HG SER X 64 7.002 19.153 2.041 1.00 0.00 H ATOM 908 H SER X 64 8.484 15.823 2.710 1.00 0.00 H ATOM 909 N GLY X 65 6.075 14.390 3.727 1.00 14.43 N ATOM 910 CA GLY X 65 5.124 13.325 3.953 1.00 12.54 C ATOM 911 C GLY X 65 4.999 12.401 2.771 1.00 11.85 C ATOM 912 O GLY X 65 5.698 12.577 1.780 1.00 10.96 O ATOM 913 HA3 GLY X 65 4.148 13.765 4.157 1.00 0.00 H ATOM 914 HA2 GLY X 65 5.448 12.745 4.817 1.00 0.00 H ATOM 915 H GLY X 65 6.889 14.231 3.099 1.00 0.00 H ATOM 916 N GLY X 66 4.091 11.424 2.896 1.00 11.21 N ATOM 917 CA GLY X 66 3.936 10.378 1.914 1.00 10.74 C ATOM 918 C GLY X 66 3.067 9.263 2.432 1.00 10.99 C ATOM 919 O GLY X 66 2.789 9.178 3.640 1.00 11.03 O ATOM 920 HA3 GLY X 66 4.918 9.976 1.665 1.00 0.00 H ATOM 921 HA2 GLY X 66 3.479 10.797 1.018 1.00 0.00 H ATOM 922 H GLY X 66 3.474 11.419 3.733 1.00 0.00 H ATOM 923 N LEU X 67 2.629 8.409 1.513 1.00 9.69 N ATOM 924 CA LEU X 67 1.805 7.269 1.838 1.00 9.15 C ATOM 925 C LEU X 67 2.562 5.974 1.574 1.00 8.60 C ATOM 926 O LEU X 67 3.109 5.782 0.523 1.00 8.72 O ATOM 927 CB LEU X 67 0.484 7.309 1.047 1.00 8.71 C ATOM 928 CG LEU X 67 -0.431 8.572 1.087 1.00 10.25 C ATOM 929 CD1 LEU X 67 -1.717 8.346 0.244 1.00 9.11 C ATOM 930 CD2 LEU X 67 -0.791 9.040 2.536 1.00 6.55 C ATOM 931 HA LEU X 67 1.560 7.309 2.899 1.00 0.00 H ATOM 932 HB2 LEU X 67 0.742 7.144 0.001 1.00 0.00 H ATOM 933 HB3 LEU X 67 -0.120 6.476 1.406 1.00 0.00 H ATOM 934 HG LEU X 67 0.150 9.381 0.645 1.00 0.00 H ATOM 935 HD21 LEU X 67 -1.318 8.239 3.055 1.00 0.00 H ATOM 936 HD22 LEU X 67 0.124 9.283 3.076 1.00 0.00 H ATOM 937 HD23 LEU X 67 -1.429 9.922 2.484 1.00 0.00 H ATOM 938 HD11 LEU X 67 -1.441 8.143 -0.791 1.00 0.00 H ATOM 939 HD12 LEU X 67 -2.270 7.497 0.647 1.00 0.00 H ATOM 940 HD13 LEU X 67 -2.340 9.240 0.287 1.00 0.00 H ATOM 941 H LEU X 67 2.890 8.568 0.519 1.00 0.00 H ATOM 942 N MET X 68 2.549 5.061 2.527 1.00 8.89 N ATOM 943 CA MET X 68 3.146 3.739 2.315 1.00 8.84 C ATOM 944 C MET X 68 2.662 3.086 1.038 1.00 8.88 C ATOM 945 O MET X 68 3.486 2.535 0.282 1.00 9.91 O ATOM 946 CB MET X 68 2.926 2.832 3.522 1.00 8.05 C ATOM 947 CG MET X 68 3.647 3.295 4.752 1.00 9.64 C ATOM 948 SD MET X 68 2.915 4.691 5.715 1.00 9.57 S ATOM 949 CE MET X 68 1.525 3.777 6.411 1.00 9.31 C ATOM 950 HA MET X 68 4.219 3.892 2.202 1.00 0.00 H ATOM 951 HB2 MET X 68 1.858 2.798 3.739 1.00 0.00 H ATOM 952 HB3 MET X 68 3.277 1.831 3.271 1.00 0.00 H ATOM 953 HG2 MET X 68 4.647 3.602 4.445 1.00 0.00 H ATOM 954 HG3 MET X 68 3.721 2.441 5.425 1.00 0.00 H ATOM 955 HE1 MET X 68 0.903 3.393 5.602 1.00 0.00 H ATOM 956 HE2 MET X 68 1.901 2.946 7.008 1.00 0.00 H ATOM 957 HE3 MET X 68 0.934 4.441 7.041 1.00 0.00 H ATOM 958 H MET X 68 2.108 5.283 3.443 1.00 0.00 H ATOM 959 N ASN X 69 1.343 3.157 0.778 1.00 9.65 N ATOM 960 CA ASN X 69 0.765 2.642 -0.485 1.00 9.04 C ATOM 961 C ASN X 69 1.351 3.221 -1.803 1.00 7.92 C ATOM 962 O ASN X 69 1.608 2.456 -2.745 1.00 8.11 O ATOM 963 CB ASN X 69 -0.797 2.655 -0.462 1.00 9.48 C ATOM 964 CG ASN X 69 -1.354 1.639 0.538 1.00 9.54 C ATOM 965 OD1 ASN X 69 -0.674 0.691 0.875 1.00 12.93 O ATOM 966 ND2 ASN X 69 -2.555 1.866 1.058 1.00 10.53 N ATOM 967 HA ASN X 69 1.097 1.604 -0.513 1.00 0.00 H ATOM 968 HB2 ASN X 69 -1.139 3.651 -0.182 1.00 0.00 H ATOM 969 HB3 ASN X 69 -1.168 2.412 -1.458 1.00 0.00 H ATOM 970 HD22 ASN X 69 -3.110 2.688 0.746 1.00 0.00 H ATOM 971 HD21 ASN X 69 -2.940 1.222 1.778 1.00 0.00 H ATOM 972 H ASN X 69 0.712 3.586 1.484 1.00 0.00 H ATOM 973 N ASN X 70 1.537 4.536 -1.875 1.00 6.29 N ATOM 974 CA ASN X 70 2.198 5.168 -3.026 1.00 5.87 C ATOM 975 C ASN X 70 3.677 4.676 -3.089 1.00 6.29 C ATOM 976 O ASN X 70 4.210 4.368 -4.188 1.00 5.81 O ATOM 977 CB ASN X 70 2.236 6.713 -2.878 1.00 6.00 C ATOM 978 CG ASN X 70 0.823 7.418 -2.966 1.00 6.63 C ATOM 979 OD1 ASN X 70 -0.182 6.814 -3.261 1.00 9.10 O ATOM 980 ND2 ASN X 70 0.808 8.733 -2.733 1.00 7.74 N ATOM 981 HA ASN X 70 1.639 4.901 -3.922 1.00 0.00 H ATOM 982 HB2 ASN X 70 2.675 6.951 -1.909 1.00 0.00 H ATOM 983 HB3 ASN X 70 2.867 7.115 -3.671 1.00 0.00 H ATOM 984 HD22 ASN X 70 1.688 9.227 -2.481 1.00 0.00 H ATOM 985 HD21 ASN X 70 -0.084 9.263 -2.804 1.00 0.00 H ATOM 986 H ASN X 70 1.205 5.136 -1.093 1.00 0.00 H ATOM 987 N ALA X 71 4.332 4.550 -1.934 1.00 4.98 N ATOM 988 CA ALA X 71 5.705 4.087 -1.960 1.00 7.73 C ATOM 989 C ALA X 71 5.761 2.664 -2.596 1.00 8.46 C ATOM 990 O ALA X 71 6.565 2.412 -3.497 1.00 6.73 O ATOM 991 CB ALA X 71 6.346 4.091 -0.535 1.00 7.77 C ATOM 992 HA ALA X 71 6.290 4.776 -2.569 1.00 0.00 H ATOM 993 HB1 ALA X 71 6.334 5.105 -0.135 1.00 0.00 H ATOM 994 HB2 ALA X 71 5.775 3.434 0.121 1.00 0.00 H ATOM 995 HB3 ALA X 71 7.375 3.737 -0.600 1.00 0.00 H ATOM 996 H ALA X 71 3.867 4.779 -1.033 1.00 0.00 H ATOM 997 N PHE X 72 4.880 1.768 -2.138 1.00 9.33 N ATOM 998 CA PHE X 72 4.820 0.419 -2.728 1.00 11.31 C ATOM 999 C PHE X 72 4.703 0.446 -4.252 1.00 12.15 C ATOM 1000 O PHE X 72 5.542 -0.171 -4.947 1.00 12.62 O ATOM 1001 CB PHE X 72 3.761 -0.472 -2.098 1.00 8.75 C ATOM 1002 CG PHE X 72 3.995 -0.749 -0.638 1.00 10.49 C ATOM 1003 CD1 PHE X 72 5.313 -1.012 -0.145 1.00 11.22 C ATOM 1004 CD2 PHE X 72 2.919 -0.789 0.275 1.00 4.48 C ATOM 1005 CE1 PHE X 72 5.523 -1.258 1.241 1.00 6.45 C ATOM 1006 CE2 PHE X 72 3.143 -1.035 1.639 1.00 8.54 C ATOM 1007 CZ PHE X 72 4.438 -1.281 2.123 1.00 7.81 C ATOM 1008 HA PHE X 72 5.781 -0.037 -2.489 1.00 0.00 H ATOM 1009 HB2 PHE X 72 2.792 0.016 -2.205 1.00 0.00 H ATOM 1010 HB3 PHE X 72 3.749 -1.423 -2.631 1.00 0.00 H ATOM 1011 HD2 PHE X 72 1.902 -0.627 -0.083 1.00 0.00 H ATOM 1012 HE2 PHE X 72 2.301 -1.035 2.331 1.00 0.00 H ATOM 1013 HZ PHE X 72 4.597 -1.489 3.181 1.00 0.00 H ATOM 1014 HE1 PHE X 72 6.532 -1.429 1.616 1.00 0.00 H ATOM 1015 HD1 PHE X 72 6.158 -1.024 -0.833 1.00 0.00 H ATOM 1016 H PHE X 72 4.235 2.024 -1.363 1.00 0.00 H ATOM 1017 N GLU X 73 3.711 1.204 -4.746 1.00 12.76 N ATOM 1018 CA GLU X 73 3.445 1.322 -6.179 1.00 12.40 C ATOM 1019 C GLU X 73 4.577 2.012 -6.928 1.00 11.10 C ATOM 1020 O GLU X 73 4.899 1.610 -8.027 1.00 10.89 O ATOM 1021 CB GLU X 73 2.094 2.008 -6.441 1.00 13.25 C ATOM 1022 CG GLU X 73 0.854 1.068 -6.347 1.00 20.54 C ATOM 1023 CD GLU X 73 1.163 -0.447 -6.730 1.00 32.78 C ATOM 1024 OE1 GLU X 73 1.462 -0.769 -7.922 1.00 34.74 O ATOM 1025 OE2 GLU X 73 1.112 -1.346 -5.827 1.00 38.14 O ATOM 1026 HA GLU X 73 3.387 0.307 -6.573 1.00 0.00 H ATOM 1027 HB2 GLU X 73 1.971 2.806 -5.709 1.00 0.00 H ATOM 1028 HB3 GLU X 73 2.120 2.437 -7.443 1.00 0.00 H ATOM 1029 HG2 GLU X 73 0.480 1.094 -5.324 1.00 0.00 H ATOM 1030 HG3 GLU X 73 0.086 1.444 -7.023 1.00 0.00 H ATOM 1031 H GLU X 73 3.107 1.729 -4.082 1.00 0.00 H ATOM 1032 N TRP X 74 5.159 3.063 -6.371 1.00 9.52 N ATOM 1033 CA TRP X 74 6.275 3.710 -7.032 1.00 8.64 C ATOM 1034 C TRP X 74 7.444 2.715 -7.225 1.00 10.02 C ATOM 1035 O TRP X 74 7.949 2.566 -8.334 1.00 9.56 O ATOM 1036 CB TRP X 74 6.760 4.951 -6.284 1.00 7.57 C ATOM 1037 CG TRP X 74 7.959 5.522 -6.932 1.00 4.60 C ATOM 1038 CD1 TRP X 74 7.968 6.443 -7.898 1.00 3.77 C ATOM 1039 CD2 TRP X 74 9.332 5.159 -6.701 1.00 6.66 C ATOM 1040 NE1 TRP X 74 9.255 6.741 -8.289 1.00 5.98 N ATOM 1041 CE2 TRP X 74 10.123 5.954 -7.586 1.00 6.06 C ATOM 1042 CE3 TRP X 74 9.975 4.241 -5.835 1.00 2.74 C ATOM 1043 CZ2 TRP X 74 11.524 5.888 -7.629 1.00 7.51 C ATOM 1044 CZ3 TRP X 74 11.363 4.141 -5.890 1.00 5.87 C ATOM 1045 CH2 TRP X 74 12.137 4.970 -6.795 1.00 7.52 C ATOM 1046 HA TRP X 74 5.915 4.039 -8.007 1.00 0.00 H ATOM 1047 HB2 TRP X 74 5.966 5.698 -6.279 1.00 0.00 H ATOM 1048 HB3 TRP X 74 7.005 4.677 -5.258 1.00 0.00 H ATOM 1049 HE1 TRP X 74 9.522 7.449 -9.002 1.00 0.00 H ATOM 1050 HD1 TRP X 74 7.074 6.900 -8.322 1.00 0.00 H ATOM 1051 HZ2 TRP X 74 12.104 6.532 -8.290 1.00 0.00 H ATOM 1052 HH2 TRP X 74 13.222 4.868 -6.818 1.00 0.00 H ATOM 1053 HZ3 TRP X 74 11.876 3.429 -5.243 1.00 0.00 H ATOM 1054 HE3 TRP X 74 9.398 3.628 -5.143 1.00 0.00 H ATOM 1055 H TRP X 74 4.815 3.424 -5.459 1.00 0.00 H ATOM 1056 N ILE X 75 7.871 2.031 -6.167 1.00 10.05 N ATOM 1057 CA ILE X 75 8.740 0.868 -6.366 1.00 11.67 C ATOM 1058 C ILE X 75 8.423 -0.065 -7.584 1.00 12.40 C ATOM 1059 O ILE X 75 9.308 -0.324 -8.411 1.00 12.83 O ATOM 1060 CB ILE X 75 8.896 0.009 -5.085 1.00 10.94 C ATOM 1061 CG1 ILE X 75 9.250 0.899 -3.913 1.00 10.07 C ATOM 1062 CG2 ILE X 75 9.893 -1.144 -5.357 1.00 12.13 C ATOM 1063 CD1 ILE X 75 9.882 0.268 -2.812 1.00 13.04 C ATOM 1064 HA ILE X 75 9.684 1.352 -6.617 1.00 0.00 H ATOM 1065 HB ILE X 75 7.957 -0.471 -4.810 1.00 0.00 H ATOM 1066 HG12 ILE X 75 9.919 1.678 -4.278 1.00 0.00 H ATOM 1067 HG13 ILE X 75 8.328 1.354 -3.551 1.00 0.00 H ATOM 1068 HD11 ILE X 75 9.227 -0.506 -2.413 1.00 0.00 H ATOM 1069 HD12 ILE X 75 10.819 -0.181 -3.141 1.00 0.00 H ATOM 1070 HD13 ILE X 75 10.085 1.008 -2.038 1.00 0.00 H ATOM 1071 HG21 ILE X 75 9.515 -1.765 -6.169 1.00 0.00 H ATOM 1072 HG22 ILE X 75 10.861 -0.727 -5.637 1.00 0.00 H ATOM 1073 HG23 ILE X 75 10.003 -1.748 -4.456 1.00 0.00 H ATOM 1074 H ILE X 75 7.591 2.319 -5.208 1.00 0.00 H ATOM 1075 N VAL X 76 7.198 -0.573 -7.666 1.00 13.48 N ATOM 1076 CA VAL X 76 6.821 -1.517 -8.693 1.00 15.61 C ATOM 1077 C VAL X 76 6.739 -0.789 -10.067 1.00 17.76 C ATOM 1078 O VAL X 76 7.320 -1.233 -11.073 1.00 19.85 O ATOM 1079 CB VAL X 76 5.497 -2.212 -8.313 1.00 15.86 C ATOM 1080 CG1 VAL X 76 4.910 -3.033 -9.470 1.00 14.44 C ATOM 1081 CG2 VAL X 76 5.713 -3.079 -7.114 1.00 15.31 C ATOM 1082 HA VAL X 76 7.577 -2.297 -8.780 1.00 0.00 H ATOM 1083 HB VAL X 76 4.770 -1.434 -8.081 1.00 0.00 H ATOM 1084 HG11 VAL X 76 4.713 -2.376 -10.317 1.00 0.00 H ATOM 1085 HG12 VAL X 76 5.622 -3.804 -9.764 1.00 0.00 H ATOM 1086 HG13 VAL X 76 3.979 -3.500 -9.147 1.00 0.00 H ATOM 1087 HG21 VAL X 76 6.466 -3.833 -7.343 1.00 0.00 H ATOM 1088 HG22 VAL X 76 6.053 -2.465 -6.280 1.00 0.00 H ATOM 1089 HG23 VAL X 76 4.776 -3.569 -6.848 1.00 0.00 H ATOM 1090 H VAL X 76 6.486 -0.281 -6.967 1.00 0.00 H ATOM 1091 N GLN X 77 6.100 0.369 -10.090 1.00 18.93 N ATOM 1092 CA GLN X 77 5.737 1.004 -11.325 1.00 20.12 C ATOM 1093 C GLN X 77 6.860 1.765 -11.940 1.00 19.57 C ATOM 1094 O GLN X 77 6.985 1.778 -13.150 1.00 19.81 O ATOM 1095 CB GLN X 77 4.521 1.905 -11.128 1.00 20.44 C ATOM 1096 CG GLN X 77 3.290 1.327 -11.773 1.00 26.47 C ATOM 1097 CD GLN X 77 2.098 1.457 -10.867 1.00 33.24 C ATOM 1098 OE1 GLN X 77 1.729 0.485 -10.191 1.00 34.88 O ATOM 1099 NE2 GLN X 77 1.500 2.666 -10.805 1.00 34.08 N ATOM 1100 HA GLN X 77 5.483 0.206 -12.023 1.00 0.00 H ATOM 1101 HB2 GLN X 77 4.338 2.024 -10.060 1.00 0.00 H ATOM 1102 HB3 GLN X 77 4.728 2.880 -11.570 1.00 0.00 H ATOM 1103 HG2 GLN X 77 3.091 1.859 -12.703 1.00 0.00 H ATOM 1104 HG3 GLN X 77 3.461 0.272 -11.988 1.00 0.00 H ATOM 1105 HE22 GLN X 77 1.849 3.449 -11.394 1.00 0.00 H ATOM 1106 HE21 GLN X 77 0.691 2.814 -10.169 1.00 0.00 H ATOM 1107 H GLN X 77 5.855 0.831 -9.191 1.00 0.00 H ATOM 1108 N GLU X 78 7.672 2.402 -11.109 1.00 19.49 N ATOM 1109 CA GLU X 78 8.680 3.327 -11.592 1.00 19.45 C ATOM 1110 C GLU X 78 10.108 2.903 -11.368 1.00 19.75 C ATOM 1111 O GLU X 78 10.999 3.454 -12.004 1.00 20.79 O ATOM 1112 CB GLU X 78 8.477 4.684 -10.942 1.00 19.55 C ATOM 1113 CG GLU X 78 7.105 5.280 -11.217 1.00 21.82 C ATOM 1114 CD GLU X 78 6.878 5.652 -12.691 1.00 28.39 C ATOM 1115 OE1 GLU X 78 7.859 6.047 -13.390 1.00 27.92 O ATOM 1116 OE2 GLU X 78 5.695 5.547 -13.152 1.00 32.77 O ATOM 1117 HA GLU X 78 8.538 3.357 -12.672 1.00 0.00 H ATOM 1118 HB2 GLU X 78 8.598 4.574 -9.864 1.00 0.00 H ATOM 1119 HB3 GLU X 78 9.235 5.368 -11.323 1.00 0.00 H ATOM 1120 HG2 GLU X 78 6.348 4.552 -10.925 1.00 0.00 H ATOM 1121 HG3 GLU X 78 6.993 6.181 -10.613 1.00 0.00 H ATOM 1122 H GLU X 78 7.585 2.235 -10.086 1.00 0.00 H ATOM 1123 N ASN X 78A 10.359 1.967 -10.460 1.00 18.82 N ATOM 1124 CA ASN X 78A 11.726 1.555 -10.218 1.00 18.61 C ATOM 1125 C ASN X 78A 11.937 0.073 -10.507 1.00 19.04 C ATOM 1126 O ASN X 78A 12.805 -0.558 -9.918 1.00 19.35 O ATOM 1127 CB ASN X 78A 12.133 1.854 -8.779 1.00 17.91 C ATOM 1128 CG ASN X 78A 13.622 2.081 -8.643 1.00 18.02 C ATOM 1129 OD1 ASN X 78A 14.225 1.659 -7.663 1.00 16.69 O ATOM 1130 ND2 ASN X 78A 14.227 2.730 -9.636 1.00 12.93 N ATOM 1131 HA ASN X 78A 12.353 2.127 -10.901 1.00 0.00 H ATOM 1132 HB2 ASN X 78A 11.609 2.749 -8.444 1.00 0.00 H ATOM 1133 HB3 ASN X 78A 11.847 1.011 -8.150 1.00 0.00 H ATOM 1134 HD22 ASN X 78A 13.674 3.070 -10.448 1.00 0.00 H ATOM 1135 HD21 ASN X 78A 15.253 2.897 -9.599 1.00 0.00 H ATOM 1136 H ASN X 78A 9.579 1.533 -9.926 1.00 0.00 H ATOM 1137 N ASN X 78B 11.118 -0.486 -11.394 1.00 18.95 N ATOM 1138 CA ASN X 78B 11.288 -1.872 -11.847 1.00 19.22 C ATOM 1139 C ASN X 78B 11.292 -2.871 -10.711 1.00 17.82 C ATOM 1140 O ASN X 78B 11.977 -3.879 -10.769 1.00 18.18 O ATOM 1141 CB ASN X 78B 12.534 -2.011 -12.744 1.00 20.42 C ATOM 1142 CG ASN X 78B 12.289 -1.501 -14.160 1.00 23.39 C ATOM 1143 OD1 ASN X 78B 12.693 -0.377 -14.530 1.00 29.27 O ATOM 1144 ND2 ASN X 78B 11.614 -2.313 -14.958 1.00 26.80 N ATOM 1145 HA ASN X 78B 10.412 -2.116 -12.449 1.00 0.00 H ATOM 1146 HB2 ASN X 78B 13.350 -1.439 -12.302 1.00 0.00 H ATOM 1147 HB3 ASN X 78B 12.814 -3.063 -12.794 1.00 0.00 H ATOM 1148 HD22 ASN X 78B 11.297 -3.240 -14.609 1.00 0.00 H ATOM 1149 HD21 ASN X 78B 11.401 -2.024 -15.934 1.00 0.00 H ATOM 1150 H ASN X 78B 10.332 0.077 -11.779 1.00 0.00 H ATOM 1151 N GLY X 78C 10.516 -2.571 -9.672 1.00 17.35 N ATOM 1152 CA GLY X 78C 10.419 -3.407 -8.448 1.00 15.13 C ATOM 1153 C GLY X 78C 11.613 -3.366 -7.505 1.00 13.92 C ATOM 1154 O GLY X 78C 11.553 -3.997 -6.495 1.00 13.35 O ATOM 1155 HA3 GLY X 78C 10.280 -4.441 -8.762 1.00 0.00 H ATOM 1156 HA2 GLY X 78C 9.543 -3.077 -7.889 1.00 0.00 H ATOM 1157 H GLY X 78C 9.946 -1.703 -9.720 1.00 0.00 H ATOM 1158 N ALA X 79 12.676 -2.624 -7.844 1.00 13.66 N ATOM 1159 CA ALA X 79 13.995 -2.696 -7.179 1.00 14.12 C ATOM 1160 C ALA X 79 13.963 -1.898 -5.909 1.00 15.25 C ATOM 1161 O ALA X 79 13.375 -0.792 -5.882 1.00 16.18 O ATOM 1162 CB ALA X 79 15.094 -2.110 -8.067 1.00 13.87 C ATOM 1163 HA ALA X 79 14.207 -3.746 -6.979 1.00 0.00 H ATOM 1164 HB1 ALA X 79 15.143 -2.671 -9.000 1.00 0.00 H ATOM 1165 HB2 ALA X 79 14.868 -1.065 -8.281 1.00 0.00 H ATOM 1166 HB3 ALA X 79 16.051 -2.177 -7.550 1.00 0.00 H ATOM 1167 H ALA X 79 12.566 -1.951 -8.629 1.00 0.00 H ATOM 1168 N VAL X 80 14.545 -2.461 -4.842 1.00 14.28 N ATOM 1169 CA VAL X 80 14.799 -1.700 -3.626 1.00 13.89 C ATOM 1170 C VAL X 80 16.292 -1.778 -3.319 1.00 14.36 C ATOM 1171 O VAL X 80 16.823 -2.868 -3.192 1.00 15.63 O ATOM 1172 CB VAL X 80 13.969 -2.245 -2.467 1.00 13.99 C ATOM 1173 CG1 VAL X 80 14.089 -1.347 -1.278 1.00 12.04 C ATOM 1174 CG2 VAL X 80 12.457 -2.391 -2.905 1.00 13.31 C ATOM 1175 HA VAL X 80 14.508 -0.659 -3.767 1.00 0.00 H ATOM 1176 HB VAL X 80 14.347 -3.230 -2.193 1.00 0.00 H ATOM 1177 HG11 VAL X 80 15.134 -1.288 -0.973 1.00 0.00 H ATOM 1178 HG12 VAL X 80 13.729 -0.352 -1.538 1.00 0.00 H ATOM 1179 HG13 VAL X 80 13.492 -1.748 -0.459 1.00 0.00 H ATOM 1180 HG21 VAL X 80 12.069 -1.415 -3.197 1.00 0.00 H ATOM 1181 HG22 VAL X 80 12.389 -3.078 -3.749 1.00 0.00 H ATOM 1182 HG23 VAL X 80 11.874 -2.781 -2.070 1.00 0.00 H ATOM 1183 H VAL X 80 14.821 -3.463 -4.883 1.00 0.00 H ATOM 1184 N TYR X 81 16.963 -0.629 -3.219 1.00 14.33 N ATOM 1185 CA TYR X 81 18.419 -0.558 -2.941 1.00 14.48 C ATOM 1186 C TYR X 81 18.818 -0.925 -1.501 1.00 14.75 C ATOM 1187 O TYR X 81 18.048 -0.687 -0.542 1.00 14.60 O ATOM 1188 CB TYR X 81 18.959 0.831 -3.274 1.00 13.80 C ATOM 1189 CG TYR X 81 18.739 1.202 -4.713 1.00 16.36 C ATOM 1190 CD1 TYR X 81 18.179 2.440 -5.061 1.00 15.84 C ATOM 1191 CD2 TYR X 81 19.071 0.298 -5.750 1.00 16.61 C ATOM 1192 CE1 TYR X 81 17.935 2.766 -6.421 1.00 16.19 C ATOM 1193 CE2 TYR X 81 18.836 0.621 -7.101 1.00 17.68 C ATOM 1194 CZ TYR X 81 18.265 1.852 -7.418 1.00 16.99 C ATOM 1195 OH TYR X 81 18.086 2.184 -8.750 1.00 20.15 O ATOM 1196 HA TYR X 81 18.866 -1.315 -3.585 1.00 0.00 H ATOM 1197 HB3 TYR X 81 20.029 0.850 -3.067 1.00 0.00 H ATOM 1198 HB2 TYR X 81 18.455 1.563 -2.643 1.00 0.00 H ATOM 1199 HD2 TYR X 81 19.516 -0.665 -5.499 1.00 0.00 H ATOM 1200 HE2 TYR X 81 19.098 -0.084 -7.890 1.00 0.00 H ATOM 1201 HE1 TYR X 81 17.492 3.727 -6.683 1.00 0.00 H ATOM 1202 HD1 TYR X 81 17.929 3.158 -4.280 1.00 0.00 H ATOM 1203 HH TYR X 81 17.673 3.082 -8.813 1.00 0.00 H ATOM 1204 H TYR X 81 16.440 0.261 -3.342 1.00 0.00 H ATOM 1205 N THR X 82 19.993 -1.553 -1.355 1.00 15.07 N ATOM 1206 CA THR X 82 20.603 -1.755 -0.050 1.00 14.77 C ATOM 1207 C THR X 82 20.753 -0.389 0.666 1.00 15.41 C ATOM 1208 O THR X 82 20.923 0.650 0.030 1.00 13.97 O ATOM 1209 CB THR X 82 21.982 -2.424 -0.192 1.00 15.26 C ATOM 1210 OG1 THR X 82 22.841 -1.606 -1.019 1.00 12.20 O ATOM 1211 CG2 THR X 82 21.850 -3.854 -0.773 1.00 13.97 C ATOM 1212 HA THR X 82 19.962 -2.410 0.540 1.00 0.00 H ATOM 1213 HB THR X 82 22.430 -2.513 0.798 1.00 0.00 H ATOM 1214 HG1 THR X 82 23.726 -2.042 -1.106 1.00 0.00 H ATOM 1215 HG23 THR X 82 21.199 -4.447 -0.131 1.00 0.00 H ATOM 1216 HG21 THR X 82 21.424 -3.800 -1.775 1.00 0.00 H ATOM 1217 HG22 THR X 82 22.835 -4.318 -0.821 1.00 0.00 H ATOM 1218 H THR X 82 20.484 -1.907 -2.201 1.00 0.00 H ATOM 1219 N GLU X 83 20.643 -0.393 1.988 1.00 17.46 N ATOM 1220 CA GLU X 83 20.930 0.793 2.766 1.00 20.00 C ATOM 1221 C GLU X 83 22.411 1.210 2.584 1.00 19.81 C ATOM 1222 O GLU X 83 22.724 2.414 2.488 1.00 19.68 O ATOM 1223 CB GLU X 83 20.590 0.567 4.244 1.00 19.59 C ATOM 1224 CG GLU X 83 20.390 1.903 5.024 1.00 21.77 C ATOM 1225 CD GLU X 83 19.951 1.722 6.502 1.00 24.02 C ATOM 1226 OE1 GLU X 83 19.906 2.750 7.215 1.00 31.26 O ATOM 1227 OE2 GLU X 83 19.666 0.584 6.977 1.00 28.77 O ATOM 1228 HA GLU X 83 20.304 1.609 2.405 1.00 0.00 H ATOM 1229 HB2 GLU X 83 19.670 -0.015 4.306 1.00 0.00 H ATOM 1230 HB3 GLU X 83 21.403 0.010 4.708 1.00 0.00 H ATOM 1231 HG2 GLU X 83 21.333 2.450 5.012 1.00 0.00 H ATOM 1232 HG3 GLU X 83 19.627 2.487 4.510 1.00 0.00 H ATOM 1233 H GLU X 83 20.345 -1.263 2.474 1.00 0.00 H ATOM 1234 N ASP X 84 23.303 0.216 2.496 1.00 20.40 N ATOM 1235 CA ASP X 84 24.750 0.432 2.174 1.00 20.94 C ATOM 1236 C ASP X 84 25.022 1.246 0.939 1.00 19.93 C ATOM 1237 O ASP X 84 25.763 2.219 0.995 1.00 21.32 O ATOM 1238 CB ASP X 84 25.468 -0.897 2.015 1.00 21.42 C ATOM 1239 CG ASP X 84 25.821 -1.515 3.349 1.00 26.08 C ATOM 1240 OD1 ASP X 84 26.059 -0.734 4.319 1.00 28.11 O ATOM 1241 OD2 ASP X 84 25.876 -2.774 3.427 1.00 30.28 O ATOM 1242 HA ASP X 84 25.123 1.003 3.024 1.00 0.00 H ATOM 1243 HB2 ASP X 84 24.821 -1.584 1.469 1.00 0.00 H ATOM 1244 HB3 ASP X 84 26.385 -0.736 1.448 1.00 0.00 H ATOM 1245 H ASP X 84 22.974 -0.757 2.660 1.00 0.00 H ATOM 1246 N SER X 85 24.401 0.859 -0.163 1.00 18.55 N ATOM 1247 CA SER X 85 24.602 1.519 -1.457 1.00 17.75 C ATOM 1248 C SER X 85 23.847 2.844 -1.575 1.00 16.88 C ATOM 1249 O SER X 85 24.093 3.612 -2.483 1.00 16.43 O ATOM 1250 CB SER X 85 24.219 0.583 -2.626 1.00 17.04 C ATOM 1251 OG SER X 85 22.808 0.405 -2.736 1.00 19.66 O ATOM 1252 HA SER X 85 25.666 1.748 -1.516 1.00 0.00 H ATOM 1253 HB2 SER X 85 24.684 -0.389 -2.464 1.00 0.00 H ATOM 1254 HB3 SER X 85 24.592 1.012 -3.556 1.00 0.00 H ATOM 1255 HG SER X 85 22.460 0.009 -1.898 1.00 0.00 H ATOM 1256 H SER X 85 23.744 0.055 -0.110 1.00 0.00 H ATOM 1257 N TYR X 86 22.936 3.127 -0.648 1.00 16.02 N ATOM 1258 CA TYR X 86 22.143 4.351 -0.738 1.00 15.25 C ATOM 1259 C TYR X 86 21.785 4.789 0.692 1.00 14.97 C ATOM 1260 O TYR X 86 20.600 4.744 1.061 1.00 14.56 O ATOM 1261 CB TYR X 86 20.855 4.121 -1.590 1.00 14.94 C ATOM 1262 CG TYR X 86 20.380 5.385 -2.268 1.00 15.51 C ATOM 1263 CD1 TYR X 86 19.645 5.342 -3.448 1.00 12.89 C ATOM 1264 CD2 TYR X 86 20.701 6.646 -1.737 1.00 13.99 C ATOM 1265 CE1 TYR X 86 19.223 6.542 -4.079 1.00 13.42 C ATOM 1266 CE2 TYR X 86 20.291 7.805 -2.354 1.00 15.32 C ATOM 1267 CZ TYR X 86 19.569 7.753 -3.529 1.00 13.30 C ATOM 1268 OH TYR X 86 19.195 8.938 -4.138 1.00 14.98 O ATOM 1269 HA TYR X 86 22.718 5.132 -1.235 1.00 0.00 H ATOM 1270 HB3 TYR X 86 20.063 3.755 -0.936 1.00 0.00 H ATOM 1271 HB2 TYR X 86 21.069 3.373 -2.353 1.00 0.00 H ATOM 1272 HD2 TYR X 86 21.286 6.707 -0.819 1.00 0.00 H ATOM 1273 HE2 TYR X 86 20.538 8.770 -1.912 1.00 0.00 H ATOM 1274 HE1 TYR X 86 18.629 6.503 -4.992 1.00 0.00 H ATOM 1275 HD1 TYR X 86 19.391 4.379 -3.892 1.00 0.00 H ATOM 1276 HH TYR X 86 18.687 8.737 -4.964 1.00 0.00 H ATOM 1277 H TYR X 86 22.787 2.473 0.146 1.00 0.00 H ATOM 1278 N PRO X 87 22.811 5.165 1.506 1.00 14.67 N ATOM 1279 CA PRO X 87 22.627 5.582 2.904 1.00 13.97 C ATOM 1280 C PRO X 87 21.703 6.790 3.119 1.00 14.01 C ATOM 1281 O PRO X 87 21.579 7.695 2.266 1.00 14.02 O ATOM 1282 CB PRO X 87 24.069 5.928 3.385 1.00 14.24 C ATOM 1283 CG PRO X 87 24.931 5.906 2.251 1.00 12.68 C ATOM 1284 CD PRO X 87 24.247 5.189 1.118 1.00 15.01 C ATOM 1285 HA PRO X 87 22.133 4.783 3.457 1.00 0.00 H ATOM 1286 HD3 PRO X 87 24.384 5.729 0.181 1.00 0.00 H ATOM 1287 HD2 PRO X 87 24.635 4.176 1.012 1.00 0.00 H ATOM 1288 HG3 PRO X 87 25.855 5.387 2.506 1.00 0.00 H ATOM 1289 HG2 PRO X 87 25.162 6.928 1.949 1.00 0.00 H ATOM 1290 HB2 PRO X 87 24.080 6.919 3.838 1.00 0.00 H ATOM 1291 HB3 PRO X 87 24.401 5.192 4.117 1.00 0.00 H ATOM 1292 N TYR X 88 21.060 6.778 4.279 1.00 14.25 N ATOM 1293 CA TYR X 88 20.182 7.844 4.710 1.00 14.28 C ATOM 1294 C TYR X 88 20.980 9.149 4.862 1.00 15.76 C ATOM 1295 O TYR X 88 22.030 9.165 5.471 1.00 17.52 O ATOM 1296 CB TYR X 88 19.530 7.465 6.011 1.00 11.08 C ATOM 1297 CG TYR X 88 18.349 8.321 6.331 1.00 11.58 C ATOM 1298 CD1 TYR X 88 17.181 8.267 5.538 1.00 12.47 C ATOM 1299 CD2 TYR X 88 18.361 9.194 7.434 1.00 7.56 C ATOM 1300 CE1 TYR X 88 16.070 9.088 5.819 1.00 9.69 C ATOM 1301 CE2 TYR X 88 17.268 10.004 7.732 1.00 7.30 C ATOM 1302 CZ TYR X 88 16.108 9.927 6.944 1.00 10.74 C ATOM 1303 OH TYR X 88 14.989 10.685 7.273 1.00 9.21 O ATOM 1304 HA TYR X 88 19.405 8.001 3.962 1.00 0.00 H ATOM 1305 HB3 TYR X 88 20.263 7.566 6.812 1.00 0.00 H ATOM 1306 HB2 TYR X 88 19.203 6.427 5.949 1.00 0.00 H ATOM 1307 HD2 TYR X 88 19.245 9.237 8.070 1.00 0.00 H ATOM 1308 HE2 TYR X 88 17.313 10.695 8.574 1.00 0.00 H ATOM 1309 HE1 TYR X 88 15.193 9.072 5.172 1.00 0.00 H ATOM 1310 HD1 TYR X 88 17.138 7.578 4.694 1.00 0.00 H ATOM 1311 HH TYR X 88 14.679 10.437 8.180 1.00 0.00 H ATOM 1312 H TYR X 88 21.194 5.962 4.910 1.00 0.00 H ATOM 1313 N ALA X 89 20.499 10.237 4.278 1.00 16.96 N ATOM 1314 CA ALA X 89 21.232 11.480 4.313 1.00 18.06 C ATOM 1315 C ALA X 89 20.275 12.623 4.534 1.00 18.24 C ATOM 1316 O ALA X 89 20.550 13.707 4.076 1.00 18.87 O ATOM 1317 CB ALA X 89 21.980 11.669 2.984 1.00 18.72 C ATOM 1318 HA ALA X 89 21.954 11.458 5.130 1.00 0.00 H ATOM 1319 HB1 ALA X 89 22.673 10.841 2.838 1.00 0.00 H ATOM 1320 HB2 ALA X 89 21.262 11.692 2.164 1.00 0.00 H ATOM 1321 HB3 ALA X 89 22.534 12.608 3.010 1.00 0.00 H ATOM 1322 H ALA X 89 19.582 10.195 3.789 1.00 0.00 H ATOM 1323 N SER X 89A 19.140 12.372 5.198 1.00 18.72 N ATOM 1324 CA SER X 89A 18.069 13.371 5.387 1.00 19.10 C ATOM 1325 C SER X 89A 17.787 13.656 6.840 1.00 20.85 C ATOM 1326 O SER X 89A 16.777 14.297 7.149 1.00 21.50 O ATOM 1327 CB SER X 89A 16.742 12.915 4.756 1.00 18.85 C ATOM 1328 OG SER X 89A 16.857 12.608 3.369 1.00 18.45 O ATOM 1329 HA SER X 89A 18.441 14.271 4.898 1.00 0.00 H ATOM 1330 HB2 SER X 89A 16.009 13.713 4.875 1.00 0.00 H ATOM 1331 HB3 SER X 89A 16.396 12.024 5.281 1.00 0.00 H ATOM 1332 HG SER X 89A 17.514 11.877 3.247 1.00 0.00 H ATOM 1333 H SER X 89A 19.005 11.423 5.602 1.00 0.00 H ATOM 1334 N GLY X 89B 18.625 13.162 7.750 1.00 21.62 N ATOM 1335 CA GLY X 89B 18.459 13.494 9.165 1.00 23.13 C ATOM 1336 C GLY X 89B 18.189 14.963 9.493 1.00 24.52 C ATOM 1337 O GLY X 89B 17.533 15.256 10.504 1.00 24.28 O ATOM 1338 HA3 GLY X 89B 19.372 13.201 9.684 1.00 0.00 H ATOM 1339 HA2 GLY X 89B 17.622 12.910 9.547 1.00 0.00 H ATOM 1340 H GLY X 89B 19.401 12.537 7.453 1.00 0.00 H ATOM 1341 N GLU X 89C 18.653 15.883 8.636 1.00 26.05 N ATOM 1342 CA GLU X 89C 18.501 17.337 8.851 1.00 27.82 C ATOM 1343 C GLU X 89C 17.220 17.910 8.372 1.00 28.53 C ATOM 1344 O GLU X 89C 16.984 19.082 8.572 1.00 30.62 O ATOM 1345 CB GLU X 89C 19.593 18.141 8.159 1.00 28.36 C ATOM 1346 CG GLU X 89C 20.905 18.163 8.884 1.00 30.66 C ATOM 1347 CD GLU X 89C 20.904 19.087 10.088 1.00 34.01 C ATOM 1348 OE1 GLU X 89C 20.295 20.212 10.038 1.00 34.18 O ATOM 1349 OE2 GLU X 89C 21.555 18.674 11.061 1.00 32.41 O ATOM 1350 HA GLU X 89C 18.552 17.419 9.937 1.00 0.00 H ATOM 1351 HB2 GLU X 89C 19.757 17.712 7.171 1.00 0.00 H ATOM 1352 HB3 GLU X 89C 19.245 19.169 8.054 1.00 0.00 H ATOM 1353 HG2 GLU X 89C 21.132 17.152 9.222 1.00 0.00 H ATOM 1354 HG3 GLU X 89C 21.679 18.495 8.192 1.00 0.00 H ATOM 1355 H GLU X 89C 19.144 15.558 7.779 1.00 0.00 H ATOM 1356 N GLY X 90 16.386 17.121 7.719 1.00 29.32 N ATOM 1357 CA GLY X 90 15.097 17.627 7.234 1.00 28.76 C ATOM 1358 C GLY X 90 15.194 18.093 5.790 1.00 28.40 C ATOM 1359 O GLY X 90 14.210 18.607 5.219 1.00 27.49 O ATOM 1360 HA3 GLY X 90 14.787 18.465 7.858 1.00 0.00 H ATOM 1361 HA2 GLY X 90 14.355 16.832 7.302 1.00 0.00 H ATOM 1362 H GLY X 90 16.646 16.129 7.546 1.00 0.00 H ATOM 1363 N ILE X 91 16.389 17.927 5.213 1.00 28.08 N ATOM 1364 CA ILE X 91 16.595 18.179 3.789 1.00 28.55 C ATOM 1365 C ILE X 91 17.124 16.904 3.132 1.00 27.97 C ATOM 1366 O ILE X 91 18.138 16.321 3.545 1.00 28.26 O ATOM 1367 CB ILE X 91 17.527 19.408 3.492 1.00 28.01 C ATOM 1368 CG1 ILE X 91 17.195 20.625 4.372 1.00 30.03 C ATOM 1369 CG2 ILE X 91 17.456 19.808 2.035 1.00 30.23 C ATOM 1370 CD1 ILE X 91 16.175 21.634 3.802 1.00 32.01 C ATOM 1371 HA ILE X 91 15.631 18.450 3.359 1.00 0.00 H ATOM 1372 HB ILE X 91 18.540 19.085 3.731 1.00 0.00 H ATOM 1373 HG12 ILE X 91 16.799 20.252 5.316 1.00 0.00 H ATOM 1374 HG13 ILE X 91 18.125 21.163 4.557 1.00 0.00 H ATOM 1375 HD11 ILE X 91 16.553 22.040 2.864 1.00 0.00 H ATOM 1376 HD12 ILE X 91 15.226 21.128 3.624 1.00 0.00 H ATOM 1377 HD13 ILE X 91 16.028 22.444 4.517 1.00 0.00 H ATOM 1378 HG21 ILE X 91 17.774 18.971 1.414 1.00 0.00 H ATOM 1379 HG22 ILE X 91 16.431 20.079 1.784 1.00 0.00 H ATOM 1380 HG23 ILE X 91 18.112 20.661 1.861 1.00 0.00 H ATOM 1381 H ILE X 91 17.192 17.610 5.793 1.00 0.00 H ATOM 1382 N SER X 92 16.398 16.475 2.111 1.00 28.35 N ATOM 1383 CA SER X 92 16.751 15.305 1.282 1.00 27.72 C ATOM 1384 C SER X 92 17.545 15.765 0.080 1.00 27.20 C ATOM 1385 O SER X 92 17.151 16.721 -0.577 1.00 27.33 O ATOM 1386 CB SER X 92 15.471 14.678 0.772 1.00 27.70 C ATOM 1387 OG SER X 92 14.532 15.723 0.649 1.00 28.04 O ATOM 1388 HA SER X 92 17.331 14.597 1.874 1.00 0.00 H ATOM 1389 HB2 SER X 92 15.111 13.930 1.478 1.00 0.00 H ATOM 1390 HB3 SER X 92 15.642 14.209 -0.197 1.00 0.00 H ATOM 1391 HG SER X 92 13.674 15.357 0.316 1.00 0.00 H ATOM 1392 H SER X 92 15.527 16.993 1.879 1.00 0.00 H ATOM 1393 N PRO X 93 18.668 15.104 -0.212 1.00 26.45 N ATOM 1394 CA PRO X 93 19.333 15.453 -1.456 1.00 26.84 C ATOM 1395 C PRO X 93 18.574 14.940 -2.705 1.00 26.54 C ATOM 1396 O PRO X 93 17.661 14.116 -2.567 1.00 26.39 O ATOM 1397 CB PRO X 93 20.724 14.796 -1.309 1.00 26.55 C ATOM 1398 CG PRO X 93 20.557 13.740 -0.323 1.00 26.94 C ATOM 1399 CD PRO X 93 19.395 14.082 0.546 1.00 26.42 C ATOM 1400 HA PRO X 93 19.384 16.530 -1.613 1.00 0.00 H ATOM 1401 HD3 PRO X 93 18.768 13.207 0.716 1.00 0.00 H ATOM 1402 HD2 PRO X 93 19.732 14.477 1.504 1.00 0.00 H ATOM 1403 HG3 PRO X 93 21.459 13.658 0.284 1.00 0.00 H ATOM 1404 HG2 PRO X 93 20.372 12.792 -0.828 1.00 0.00 H ATOM 1405 HB2 PRO X 93 21.051 14.379 -2.262 1.00 0.00 H ATOM 1406 HB3 PRO X 93 21.455 15.527 -0.964 1.00 0.00 H ATOM 1407 N PRO X 94 18.925 15.461 -3.911 1.00 26.27 N ATOM 1408 CA PRO X 94 18.451 14.969 -5.199 1.00 24.97 C ATOM 1409 C PRO X 94 18.668 13.484 -5.412 1.00 23.49 C ATOM 1410 O PRO X 94 19.625 12.898 -4.940 1.00 24.07 O ATOM 1411 CB PRO X 94 19.318 15.752 -6.184 1.00 24.85 C ATOM 1412 CG PRO X 94 19.440 17.055 -5.517 1.00 26.16 C ATOM 1413 CD PRO X 94 19.757 16.665 -4.102 1.00 26.31 C ATOM 1414 HA PRO X 94 17.374 15.104 -5.301 1.00 0.00 H ATOM 1415 HD3 PRO X 94 20.816 16.436 -3.984 1.00 0.00 H ATOM 1416 HD2 PRO X 94 19.477 17.453 -3.403 1.00 0.00 H ATOM 1417 HG3 PRO X 94 18.507 17.615 -5.572 1.00 0.00 H ATOM 1418 HG2 PRO X 94 20.244 17.648 -5.953 1.00 0.00 H ATOM 1419 HB2 PRO X 94 20.292 15.281 -6.315 1.00 0.00 H ATOM 1420 HB3 PRO X 94 18.829 15.847 -7.153 1.00 0.00 H ATOM 1421 N CYS X 95 17.799 12.903 -6.201 1.00 21.73 N ATOM 1422 CA CYS X 95 17.833 11.500 -6.455 1.00 21.11 C ATOM 1423 C CYS X 95 19.015 11.103 -7.358 1.00 21.68 C ATOM 1424 O CYS X 95 19.300 11.761 -8.349 1.00 21.51 O ATOM 1425 CB CYS X 95 16.503 11.137 -7.084 1.00 20.23 C ATOM 1426 SG CYS X 95 16.458 9.507 -7.745 1.00 18.28 S ATOM 1427 HA CYS X 95 17.984 10.951 -5.525 1.00 0.00 H ATOM 1428 HB2 CYS X 95 16.299 11.842 -7.890 1.00 0.00 H ATOM 1429 HB3 CYS X 95 15.727 11.222 -6.323 1.00 0.00 H ATOM 1430 H CYS X 95 17.063 13.481 -6.655 1.00 0.00 H ATOM 1431 N THR X 96 19.703 10.021 -7.024 1.00 22.58 N ATOM 1432 CA THR X 96 20.736 9.517 -7.915 1.00 23.80 C ATOM 1433 C THR X 96 20.316 8.156 -8.488 1.00 25.38 C ATOM 1434 O THR X 96 19.910 7.249 -7.751 1.00 25.57 O ATOM 1435 CB THR X 96 22.140 9.473 -7.244 1.00 24.06 C ATOM 1436 OG1 THR X 96 22.090 8.722 -6.032 1.00 23.92 O ATOM 1437 CG2 THR X 96 22.685 10.897 -6.929 1.00 22.79 C ATOM 1438 HA THR X 96 20.837 10.219 -8.743 1.00 0.00 H ATOM 1439 HB THR X 96 22.813 8.995 -7.956 1.00 0.00 H ATOM 1440 HG1 THR X 96 21.798 7.797 -6.230 1.00 0.00 H ATOM 1441 HG23 THR X 96 22.727 11.480 -7.849 1.00 0.00 H ATOM 1442 HG21 THR X 96 22.023 11.388 -6.216 1.00 0.00 H ATOM 1443 HG22 THR X 96 23.685 10.816 -6.502 1.00 0.00 H ATOM 1444 H THR X 96 19.505 9.533 -6.127 1.00 0.00 H ATOM 1445 N THR X 97 20.413 8.034 -9.814 1.00 26.69 N ATOM 1446 CA THR X 97 19.924 6.870 -10.561 1.00 28.13 C ATOM 1447 C THR X 97 21.074 5.895 -10.880 1.00 27.74 C ATOM 1448 O THR X 97 20.942 4.973 -11.720 1.00 26.83 O ATOM 1449 CB THR X 97 19.184 7.289 -11.873 1.00 28.73 C ATOM 1450 OG1 THR X 97 20.013 8.200 -12.626 1.00 31.36 O ATOM 1451 CG2 THR X 97 17.845 7.972 -11.553 1.00 30.02 C ATOM 1452 HA THR X 97 19.203 6.360 -9.922 1.00 0.00 H ATOM 1453 HB THR X 97 18.988 6.390 -12.458 1.00 0.00 H ATOM 1454 HG1 THR X 97 19.542 8.464 -13.456 1.00 0.00 H ATOM 1455 HG23 THR X 97 17.216 7.287 -10.984 1.00 0.00 H ATOM 1456 HG21 THR X 97 18.029 8.871 -10.965 1.00 0.00 H ATOM 1457 HG22 THR X 97 17.344 8.240 -12.483 1.00 0.00 H ATOM 1458 H THR X 97 20.860 8.807 -10.347 1.00 0.00 H ATOM 1459 N SER X 98 22.206 6.093 -10.212 1.00 26.12 N ATOM 1460 CA SER X 98 23.251 5.124 -10.407 1.00 25.43 C ATOM 1461 C SER X 98 24.127 5.068 -9.192 1.00 24.91 C ATOM 1462 O SER X 98 24.040 5.956 -8.328 1.00 25.19 O ATOM 1463 CB SER X 98 24.053 5.341 -11.736 1.00 25.37 C ATOM 1464 OG SER X 98 24.726 6.572 -11.796 1.00 23.38 O ATOM 1465 HA SER X 98 22.785 4.147 -10.531 1.00 0.00 H ATOM 1466 HB2 SER X 98 23.355 5.289 -12.572 1.00 0.00 H ATOM 1467 HB3 SER X 98 24.788 4.542 -11.829 1.00 0.00 H ATOM 1468 HG SER X 98 25.209 6.641 -12.658 1.00 0.00 H ATOM 1469 H SER X 98 22.330 6.909 -9.579 1.00 0.00 H ATOM 1470 N GLY X 99 24.949 4.014 -9.133 1.00 23.57 N ATOM 1471 CA GLY X 99 25.819 3.773 -8.006 1.00 22.72 C ATOM 1472 C GLY X 99 25.205 2.877 -6.954 1.00 21.74 C ATOM 1473 O GLY X 99 25.873 2.542 -6.019 1.00 22.77 O ATOM 1474 HA3 GLY X 99 26.062 4.731 -7.546 1.00 0.00 H ATOM 1475 HA2 GLY X 99 26.733 3.304 -8.369 1.00 0.00 H ATOM 1476 H GLY X 99 24.962 3.344 -9.928 1.00 0.00 H ATOM 1477 N HIS X 100 23.957 2.439 -7.118 1.00 20.59 N ATOM 1478 CA HIS X 100 23.290 1.646 -6.071 1.00 18.66 C ATOM 1479 C HIS X 100 23.245 0.170 -6.397 1.00 18.78 C ATOM 1480 O HIS X 100 23.460 -0.221 -7.540 1.00 18.76 O ATOM 1481 CB HIS X 100 21.892 2.187 -5.766 1.00 17.12 C ATOM 1482 CG HIS X 100 21.845 3.667 -5.746 1.00 16.22 C ATOM 1483 ND1 HIS X 100 22.594 4.415 -4.862 1.00 13.56 N ATOM 1484 CD2 HIS X 100 21.229 4.554 -6.564 1.00 15.57 C ATOM 1485 CE1 HIS X 100 22.378 5.700 -5.080 1.00 12.53 C ATOM 1486 NE2 HIS X 100 21.582 5.815 -6.130 1.00 14.77 N ATOM 1487 HA HIS X 100 23.897 1.750 -5.172 1.00 0.00 H ATOM 1488 HB2 HIS X 100 21.203 1.826 -6.530 1.00 0.00 H ATOM 1489 HB3 HIS X 100 21.578 1.814 -4.791 1.00 0.00 H ATOM 1490 HD2 HIS X 100 20.578 4.316 -7.405 1.00 0.00 H ATOM 1491 HE1 HIS X 100 22.786 6.524 -4.495 1.00 0.00 H ATOM 1492 H HIS X 100 23.447 2.660 -7.997 1.00 0.00 H ATOM 1493 N THR X 101 22.983 -0.648 -5.375 1.00 18.08 N ATOM 1494 CA THR X 101 22.836 -2.072 -5.563 1.00 18.49 C ATOM 1495 C THR X 101 21.516 -2.510 -5.024 1.00 18.02 C ATOM 1496 O THR X 101 21.163 -2.128 -3.929 1.00 19.86 O ATOM 1497 CB THR X 101 23.871 -2.848 -4.784 1.00 18.28 C ATOM 1498 OG1 THR X 101 25.168 -2.309 -5.062 1.00 18.97 O ATOM 1499 CG2 THR X 101 23.810 -4.330 -5.153 1.00 19.39 C ATOM 1500 HA THR X 101 22.940 -2.262 -6.631 1.00 0.00 H ATOM 1501 HB THR X 101 23.668 -2.759 -3.717 1.00 0.00 H ATOM 1502 HG1 THR X 101 25.850 -2.815 -4.553 1.00 0.00 H ATOM 1503 HG23 THR X 101 22.815 -4.717 -4.933 1.00 0.00 H ATOM 1504 HG21 THR X 101 24.020 -4.447 -6.216 1.00 0.00 H ATOM 1505 HG22 THR X 101 24.552 -4.879 -4.572 1.00 0.00 H ATOM 1506 H THR X 101 22.882 -0.250 -4.420 1.00 0.00 H ATOM 1507 N VAL X 102 20.818 -3.329 -5.800 1.00 16.81 N ATOM 1508 CA VAL X 102 19.544 -3.894 -5.486 1.00 16.20 C ATOM 1509 C VAL X 102 19.695 -4.904 -4.356 1.00 16.82 C ATOM 1510 O VAL X 102 20.585 -5.785 -4.406 1.00 17.46 O ATOM 1511 CB VAL X 102 19.000 -4.537 -6.745 1.00 16.25 C ATOM 1512 CG1 VAL X 102 17.597 -5.106 -6.531 1.00 17.58 C ATOM 1513 CG2 VAL X 102 19.026 -3.493 -7.930 1.00 17.25 C ATOM 1514 HA VAL X 102 18.846 -3.129 -5.145 1.00 0.00 H ATOM 1515 HB VAL X 102 19.640 -5.380 -7.006 1.00 0.00 H ATOM 1516 HG11 VAL X 102 17.629 -5.862 -5.746 1.00 0.00 H ATOM 1517 HG12 VAL X 102 16.922 -4.303 -6.237 1.00 0.00 H ATOM 1518 HG13 VAL X 102 17.244 -5.558 -7.458 1.00 0.00 H ATOM 1519 HG21 VAL X 102 18.410 -2.633 -7.668 1.00 0.00 H ATOM 1520 HG22 VAL X 102 20.052 -3.168 -8.104 1.00 0.00 H ATOM 1521 HG23 VAL X 102 18.634 -3.961 -8.833 1.00 0.00 H ATOM 1522 H VAL X 102 21.235 -3.582 -6.718 1.00 0.00 H ATOM 1523 N GLY X 103 18.865 -4.778 -3.315 1.00 16.29 N ATOM 1524 CA GLY X 103 18.954 -5.686 -2.173 1.00 17.00 C ATOM 1525 C GLY X 103 17.659 -6.373 -1.848 1.00 17.78 C ATOM 1526 O GLY X 103 17.602 -7.587 -1.593 1.00 19.91 O ATOM 1527 HA3 GLY X 103 19.269 -5.113 -1.301 1.00 0.00 H ATOM 1528 HA2 GLY X 103 19.702 -6.447 -2.395 1.00 0.00 H ATOM 1529 H GLY X 103 18.148 -4.025 -3.318 1.00 0.00 H ATOM 1530 N ALA X 105 16.414 -6.187 -2.852 1.00 8.02 N ATOM 1531 CA ALA X 105 15.159 -6.865 -2.695 1.00 10.64 C ATOM 1532 C ALA X 105 14.376 -6.408 -3.903 1.00 11.86 C ATOM 1533 O ALA X 105 14.722 -5.388 -4.541 1.00 13.10 O ATOM 1534 CB ALA X 105 14.459 -6.450 -1.376 1.00 7.60 C ATOM 1535 HA ALA X 105 15.258 -7.949 -2.635 1.00 0.00 H ATOM 1536 HB1 ALA X 105 15.100 -6.703 -0.531 1.00 0.00 H ATOM 1537 HB2 ALA X 105 14.276 -5.376 -1.386 1.00 0.00 H ATOM 1538 HB3 ALA X 105 13.511 -6.981 -1.287 1.00 0.00 H ATOM 1539 H ALA X 105 16.525 -5.540 -3.659 1.00 0.00 H ATOM 1540 N THR X 106 13.385 -7.193 -4.281 1.00 11.79 N ATOM 1541 CA THR X 106 12.449 -6.710 -5.268 1.00 12.73 C ATOM 1542 C THR X 106 11.076 -7.044 -4.774 1.00 11.87 C ATOM 1543 O THR X 106 10.897 -7.942 -3.991 1.00 11.77 O ATOM 1544 CB THR X 106 12.655 -7.400 -6.649 1.00 13.43 C ATOM 1545 OG1 THR X 106 12.707 -8.804 -6.436 1.00 14.41 O ATOM 1546 CG2 THR X 106 13.926 -6.953 -7.320 1.00 9.78 C ATOM 1547 HA THR X 106 12.595 -5.638 -5.404 1.00 0.00 H ATOM 1548 HB THR X 106 11.827 -7.126 -7.302 1.00 0.00 H ATOM 1549 HG1 THR X 106 11.858 -9.106 -6.026 1.00 0.00 H ATOM 1550 HG23 THR X 106 13.889 -5.876 -7.485 1.00 0.00 H ATOM 1551 HG21 THR X 106 14.776 -7.195 -6.683 1.00 0.00 H ATOM 1552 HG22 THR X 106 14.030 -7.465 -8.277 1.00 0.00 H ATOM 1553 H THR X 106 13.280 -8.144 -3.874 1.00 0.00 H ATOM 1554 N ILE X 107 10.095 -6.314 -5.237 1.00 12.28 N ATOM 1555 CA ILE X 107 8.692 -6.645 -4.904 1.00 12.27 C ATOM 1556 C ILE X 107 7.850 -6.572 -6.188 1.00 11.75 C ATOM 1557 O ILE X 107 8.274 -5.950 -7.186 1.00 11.59 O ATOM 1558 CB ILE X 107 8.154 -5.693 -3.782 1.00 11.78 C ATOM 1559 CG1 ILE X 107 8.185 -4.223 -4.229 1.00 13.63 C ATOM 1560 CG2 ILE X 107 9.010 -5.810 -2.563 1.00 11.76 C ATOM 1561 CD1 ILE X 107 7.187 -3.308 -3.448 1.00 14.30 C ATOM 1562 HA ILE X 107 8.626 -7.658 -4.507 1.00 0.00 H ATOM 1563 HB ILE X 107 7.126 -5.990 -3.572 1.00 0.00 H ATOM 1564 HG12 ILE X 107 9.194 -3.839 -4.079 1.00 0.00 H ATOM 1565 HG13 ILE X 107 7.935 -4.180 -5.289 1.00 0.00 H ATOM 1566 HD11 ILE X 107 6.170 -3.672 -3.596 1.00 0.00 H ATOM 1567 HD12 ILE X 107 7.431 -3.330 -2.386 1.00 0.00 H ATOM 1568 HD13 ILE X 107 7.266 -2.286 -3.819 1.00 0.00 H ATOM 1569 HG21 ILE X 107 8.989 -6.839 -2.203 1.00 0.00 H ATOM 1570 HG22 ILE X 107 10.034 -5.531 -2.812 1.00 0.00 H ATOM 1571 HG23 ILE X 107 8.629 -5.145 -1.788 1.00 0.00 H ATOM 1572 H ILE X 107 10.302 -5.495 -5.844 1.00 0.00 H ATOM 1573 N THR X 108 6.677 -7.195 -6.151 1.00 12.13 N ATOM 1574 CA THR X 108 5.765 -7.275 -7.280 1.00 12.39 C ATOM 1575 C THR X 108 4.415 -6.533 -7.036 1.00 12.12 C ATOM 1576 O THR X 108 3.624 -6.300 -7.973 1.00 11.55 O ATOM 1577 CB THR X 108 5.480 -8.761 -7.613 1.00 13.80 C ATOM 1578 OG1 THR X 108 4.661 -9.332 -6.588 1.00 16.91 O ATOM 1579 CG2 THR X 108 6.778 -9.577 -7.658 1.00 13.86 C ATOM 1580 HA THR X 108 6.256 -6.777 -8.116 1.00 0.00 H ATOM 1581 HB THR X 108 4.987 -8.791 -8.585 1.00 0.00 H ATOM 1582 HG1 THR X 108 4.480 -10.281 -6.802 1.00 0.00 H ATOM 1583 HG23 THR X 108 7.433 -9.173 -8.430 1.00 0.00 H ATOM 1584 HG21 THR X 108 7.276 -9.519 -6.690 1.00 0.00 H ATOM 1585 HG22 THR X 108 6.544 -10.617 -7.886 1.00 0.00 H ATOM 1586 H THR X 108 6.394 -7.653 -5.261 1.00 0.00 H ATOM 1587 N GLY X 109 4.154 -6.144 -5.798 1.00 10.51 N ATOM 1588 CA GLY X 109 2.971 -5.353 -5.528 1.00 10.34 C ATOM 1589 C GLY X 109 2.725 -5.137 -4.046 1.00 10.25 C ATOM 1590 O GLY X 109 3.657 -5.215 -3.275 1.00 9.54 O ATOM 1591 HA3 GLY X 109 2.107 -5.864 -5.953 1.00 0.00 H ATOM 1592 HA2 GLY X 109 3.087 -4.380 -6.006 1.00 0.00 H ATOM 1593 H GLY X 109 4.796 -6.405 -5.022 1.00 0.00 H ATOM 1594 N HIS X 110 1.467 -4.921 -3.657 1.00 10.03 N ATOM 1595 CA HIS X 110 1.112 -4.681 -2.265 1.00 10.58 C ATOM 1596 C HIS X 110 -0.384 -4.985 -2.057 1.00 11.01 C ATOM 1597 O HIS X 110 -1.158 -4.959 -2.991 1.00 9.98 O ATOM 1598 CB HIS X 110 1.475 -3.236 -1.848 1.00 10.45 C ATOM 1599 CG HIS X 110 0.406 -2.232 -2.154 1.00 11.00 C ATOM 1600 ND1 HIS X 110 0.342 -1.566 -3.360 1.00 8.83 N ATOM 1601 CD2 HIS X 110 -0.669 -1.810 -1.431 1.00 10.12 C ATOM 1602 CE1 HIS X 110 -0.722 -0.777 -3.372 1.00 6.26 C ATOM 1603 NE2 HIS X 110 -1.357 -0.908 -2.217 1.00 9.59 N ATOM 1604 HA HIS X 110 1.687 -5.348 -1.622 1.00 0.00 H ATOM 1605 HB2 HIS X 110 1.661 -3.224 -0.774 1.00 0.00 H ATOM 1606 HB3 HIS X 110 2.383 -2.943 -2.376 1.00 0.00 H ATOM 1607 HD2 HIS X 110 -0.935 -2.125 -0.422 1.00 0.00 H ATOM 1608 HE1 HIS X 110 -1.024 -0.129 -4.194 1.00 0.00 H ATOM 1609 H HIS X 110 0.713 -4.924 -4.373 1.00 0.00 H ATOM 1610 N VAL X 111 -0.755 -5.354 -0.833 1.00 11.82 N ATOM 1611 CA VAL X 111 -2.141 -5.573 -0.458 1.00 13.07 C ATOM 1612 C VAL X 111 -2.514 -4.565 0.629 1.00 13.33 C ATOM 1613 O VAL X 111 -1.658 -4.126 1.416 1.00 13.34 O ATOM 1614 CB VAL X 111 -2.423 -7.051 -0.002 1.00 13.50 C ATOM 1615 CG1 VAL X 111 -2.527 -7.993 -1.213 1.00 12.90 C ATOM 1616 CG2 VAL X 111 -1.330 -7.528 0.907 1.00 14.06 C ATOM 1617 HA VAL X 111 -2.768 -5.420 -1.336 1.00 0.00 H ATOM 1618 HB VAL X 111 -3.374 -7.062 0.531 1.00 0.00 H ATOM 1619 HG11 VAL X 111 -3.342 -7.665 -1.858 1.00 0.00 H ATOM 1620 HG12 VAL X 111 -1.590 -7.972 -1.770 1.00 0.00 H ATOM 1621 HG13 VAL X 111 -2.722 -9.008 -0.867 1.00 0.00 H ATOM 1622 HG21 VAL X 111 -0.378 -7.492 0.378 1.00 0.00 H ATOM 1623 HG22 VAL X 111 -1.283 -6.885 1.786 1.00 0.00 H ATOM 1624 HG23 VAL X 111 -1.537 -8.553 1.216 1.00 0.00 H ATOM 1625 H VAL X 111 -0.018 -5.492 -0.112 1.00 0.00 H ATOM 1626 N GLU X 112 -3.780 -4.178 0.657 1.00 13.54 N ATOM 1627 CA GLU X 112 -4.271 -3.317 1.709 1.00 14.16 C ATOM 1628 C GLU X 112 -5.169 -4.182 2.535 1.00 14.81 C ATOM 1629 O GLU X 112 -6.031 -4.892 1.961 1.00 16.03 O ATOM 1630 CB GLU X 112 -4.993 -2.107 1.100 1.00 14.17 C ATOM 1631 CG GLU X 112 -4.021 -1.335 0.212 1.00 15.92 C ATOM 1632 CD GLU X 112 -4.617 -0.194 -0.564 1.00 17.83 C ATOM 1633 OE1 GLU X 112 -3.906 0.301 -1.500 1.00 17.82 O ATOM 1634 OE2 GLU X 112 -5.766 0.201 -0.234 1.00 18.54 O ATOM 1635 HA GLU X 112 -3.478 -2.899 2.329 1.00 0.00 H ATOM 1636 HB2 GLU X 112 -5.839 -2.449 0.503 1.00 0.00 H ATOM 1637 HB3 GLU X 112 -5.352 -1.457 1.898 1.00 0.00 H ATOM 1638 HG2 GLU X 112 -3.232 -0.933 0.848 1.00 0.00 H ATOM 1639 HG3 GLU X 112 -3.588 -2.036 -0.501 1.00 0.00 H ATOM 1640 H GLU X 112 -4.430 -4.498 -0.089 1.00 0.00 H ATOM 1641 N LEU X 113 -4.975 -4.155 3.855 1.00 13.43 N ATOM 1642 CA LEU X 113 -5.666 -5.065 4.722 1.00 13.37 C ATOM 1643 C LEU X 113 -6.951 -4.478 5.266 1.00 14.00 C ATOM 1644 O LEU X 113 -7.122 -3.265 5.236 1.00 14.03 O ATOM 1645 CB LEU X 113 -4.767 -5.500 5.878 1.00 13.88 C ATOM 1646 CG LEU X 113 -3.349 -6.038 5.595 1.00 14.19 C ATOM 1647 CD1 LEU X 113 -2.810 -6.629 6.847 1.00 14.36 C ATOM 1648 CD2 LEU X 113 -3.364 -7.072 4.526 1.00 16.44 C ATOM 1649 HA LEU X 113 -5.927 -5.935 4.119 1.00 0.00 H ATOM 1650 HB2 LEU X 113 -4.651 -4.634 6.529 1.00 0.00 H ATOM 1651 HB3 LEU X 113 -5.301 -6.286 6.413 1.00 0.00 H ATOM 1652 HG LEU X 113 -2.722 -5.214 5.255 1.00 0.00 H ATOM 1653 HD21 LEU X 113 -3.995 -7.905 4.837 1.00 0.00 H ATOM 1654 HD22 LEU X 113 -3.759 -6.638 3.608 1.00 0.00 H ATOM 1655 HD23 LEU X 113 -2.349 -7.429 4.353 1.00 0.00 H ATOM 1656 HD11 LEU X 113 -2.770 -5.863 7.621 1.00 0.00 H ATOM 1657 HD12 LEU X 113 -3.459 -7.442 7.172 1.00 0.00 H ATOM 1658 HD13 LEU X 113 -1.807 -7.014 6.663 1.00 0.00 H ATOM 1659 H LEU X 113 -4.313 -3.464 4.261 1.00 0.00 H ATOM 1660 N PRO X 114 -7.867 -5.331 5.764 1.00 14.65 N ATOM 1661 CA PRO X 114 -9.130 -4.773 6.251 1.00 16.26 C ATOM 1662 C PRO X 114 -8.920 -3.865 7.480 1.00 17.18 C ATOM 1663 O PRO X 114 -7.861 -3.923 8.141 1.00 17.07 O ATOM 1664 CB PRO X 114 -9.963 -6.025 6.617 1.00 16.03 C ATOM 1665 CG PRO X 114 -9.352 -7.143 5.777 1.00 15.63 C ATOM 1666 CD PRO X 114 -7.867 -6.804 5.855 1.00 14.81 C ATOM 1667 HA PRO X 114 -9.617 -4.138 5.511 1.00 0.00 H ATOM 1668 HD3 PRO X 114 -7.435 -7.140 6.798 1.00 0.00 H ATOM 1669 HD2 PRO X 114 -7.317 -7.250 5.026 1.00 0.00 H ATOM 1670 HG3 PRO X 114 -9.714 -7.113 4.749 1.00 0.00 H ATOM 1671 HG2 PRO X 114 -9.560 -8.123 6.206 1.00 0.00 H ATOM 1672 HB2 PRO X 114 -9.877 -6.249 7.680 1.00 0.00 H ATOM 1673 HB3 PRO X 114 -11.013 -5.879 6.362 1.00 0.00 H ATOM 1674 N GLN X 115 -9.925 -3.025 7.747 1.00 16.74 N ATOM 1675 CA GLN X 115 -9.932 -2.120 8.868 1.00 17.20 C ATOM 1676 C GLN X 115 -10.520 -2.821 10.064 1.00 16.89 C ATOM 1677 O GLN X 115 -11.589 -2.449 10.530 1.00 16.65 O ATOM 1678 CB GLN X 115 -10.723 -0.833 8.527 1.00 16.69 C ATOM 1679 CG GLN X 115 -10.143 -0.091 7.310 1.00 18.62 C ATOM 1680 CD GLN X 115 -10.921 1.138 6.966 1.00 19.68 C ATOM 1681 OE1 GLN X 115 -12.093 1.037 6.638 1.00 27.81 O ATOM 1682 NE2 GLN X 115 -10.290 2.317 7.039 1.00 19.68 N ATOM 1683 HA GLN X 115 -8.910 -1.821 9.101 1.00 0.00 H ATOM 1684 HB2 GLN X 115 -11.757 -1.104 8.312 1.00 0.00 H ATOM 1685 HB3 GLN X 115 -10.696 -0.167 9.389 1.00 0.00 H ATOM 1686 HG2 GLN X 115 -9.115 0.196 7.532 1.00 0.00 H ATOM 1687 HG3 GLN X 115 -10.154 -0.764 6.452 1.00 0.00 H ATOM 1688 HE22 GLN X 115 -9.290 2.355 7.323 1.00 0.00 H ATOM 1689 HE21 GLN X 115 -10.800 3.195 6.811 1.00 0.00 H ATOM 1690 H GLN X 115 -10.747 -3.025 7.110 1.00 0.00 H ATOM 1691 N ASP X 116 -9.797 -3.812 10.591 1.00 16.79 N ATOM 1692 CA ASP X 116 -10.326 -4.671 11.659 1.00 16.38 C ATOM 1693 C ASP X 116 -9.154 -5.384 12.277 1.00 15.23 C ATOM 1694 O ASP X 116 -8.492 -6.163 11.603 1.00 15.74 O ATOM 1695 CB ASP X 116 -11.352 -5.676 11.100 1.00 17.05 C ATOM 1696 CG ASP X 116 -11.850 -6.656 12.144 1.00 18.05 C ATOM 1697 OD1 ASP X 116 -11.093 -7.516 12.609 1.00 17.88 O ATOM 1698 OD2 ASP X 116 -13.044 -6.599 12.469 1.00 23.69 O ATOM 1699 HA ASP X 116 -10.848 -4.074 12.407 1.00 0.00 H ATOM 1700 HB2 ASP X 116 -12.205 -5.121 10.709 1.00 0.00 H ATOM 1701 HB3 ASP X 116 -10.884 -6.237 10.291 1.00 0.00 H ATOM 1702 H ASP X 116 -8.834 -3.980 10.236 1.00 0.00 H ATOM 1703 N GLU X 117 -8.904 -5.097 13.557 1.00 13.76 N ATOM 1704 CA GLU X 117 -7.706 -5.534 14.247 1.00 12.53 C ATOM 1705 C GLU X 117 -7.569 -7.039 14.324 1.00 11.51 C ATOM 1706 O GLU X 117 -6.453 -7.552 14.210 1.00 10.96 O ATOM 1707 CB GLU X 117 -7.616 -4.937 15.657 1.00 12.27 C ATOM 1708 CG GLU X 117 -7.479 -3.426 15.662 1.00 10.87 C ATOM 1709 CD GLU X 117 -7.443 -2.909 17.068 1.00 13.68 C ATOM 1710 OE1 GLU X 117 -6.375 -3.027 17.725 1.00 13.51 O ATOM 1711 OE2 GLU X 117 -8.503 -2.426 17.546 1.00 16.51 O ATOM 1712 HA GLU X 117 -6.878 -5.162 13.643 1.00 0.00 H ATOM 1713 HB2 GLU X 117 -8.520 -5.204 16.204 1.00 0.00 H ATOM 1714 HB3 GLU X 117 -6.748 -5.365 16.159 1.00 0.00 H ATOM 1715 HG2 GLU X 117 -6.556 -3.147 15.153 1.00 0.00 H ATOM 1716 HG3 GLU X 117 -8.328 -2.986 15.139 1.00 0.00 H ATOM 1717 H GLU X 117 -9.602 -4.533 14.084 1.00 0.00 H ATOM 1718 N ALA X 118 -8.686 -7.744 14.512 1.00 9.73 N ATOM 1719 CA ALA X 118 -8.656 -9.202 14.510 1.00 8.99 C ATOM 1720 C ALA X 118 -8.137 -9.705 13.170 1.00 8.93 C ATOM 1721 O ALA X 118 -7.371 -10.661 13.135 1.00 7.92 O ATOM 1722 CB ALA X 118 -10.073 -9.802 14.810 1.00 8.16 C ATOM 1723 HA ALA X 118 -7.984 -9.532 15.302 1.00 0.00 H ATOM 1724 HB1 ALA X 118 -10.410 -9.463 15.790 1.00 0.00 H ATOM 1725 HB2 ALA X 118 -10.776 -9.468 14.047 1.00 0.00 H ATOM 1726 HB3 ALA X 118 -10.015 -10.890 14.801 1.00 0.00 H ATOM 1727 H ALA X 118 -9.588 -7.248 14.662 1.00 0.00 H ATOM 1728 N GLN X 119 -8.554 -9.063 12.073 1.00 8.06 N ATOM 1729 CA GLN X 119 -8.209 -9.563 10.761 1.00 9.60 C ATOM 1730 C GLN X 119 -6.794 -9.166 10.335 1.00 9.62 C ATOM 1731 O GLN X 119 -6.137 -9.900 9.645 1.00 8.50 O ATOM 1732 CB GLN X 119 -9.199 -9.100 9.719 1.00 9.64 C ATOM 1733 CG GLN X 119 -10.522 -9.726 9.870 1.00 13.20 C ATOM 1734 CD GLN X 119 -11.602 -9.014 9.094 1.00 15.87 C ATOM 1735 OE1 GLN X 119 -11.469 -8.743 7.898 1.00 16.97 O ATOM 1736 NE2 GLN X 119 -12.706 -8.753 9.761 1.00 18.63 N ATOM 1737 HA GLN X 119 -8.245 -10.650 10.834 1.00 0.00 H ATOM 1738 HB2 GLN X 119 -9.313 -8.019 9.803 1.00 0.00 H ATOM 1739 HB3 GLN X 119 -8.807 -9.347 8.732 1.00 0.00 H ATOM 1740 HG2 GLN X 119 -10.462 -10.756 9.518 1.00 0.00 H ATOM 1741 HG3 GLN X 119 -10.791 -9.720 10.926 1.00 0.00 H ATOM 1742 HE22 GLN X 119 -12.775 -8.999 10.769 1.00 0.00 H ATOM 1743 HE21 GLN X 119 -13.510 -8.301 9.280 1.00 0.00 H ATOM 1744 H GLN X 119 -9.129 -8.201 12.164 1.00 0.00 H ATOM 1745 N ILE X 120 -6.334 -7.991 10.752 1.00 10.19 N ATOM 1746 CA ILE X 120 -4.925 -7.664 10.591 1.00 9.16 C ATOM 1747 C ILE X 120 -3.988 -8.651 11.291 1.00 8.87 C ATOM 1748 O ILE X 120 -2.958 -9.014 10.755 1.00 9.60 O ATOM 1749 CB ILE X 120 -4.623 -6.238 11.021 1.00 9.29 C ATOM 1750 CG1 ILE X 120 -5.399 -5.277 10.084 1.00 8.15 C ATOM 1751 CG2 ILE X 120 -3.082 -6.014 11.010 1.00 5.86 C ATOM 1752 CD1 ILE X 120 -5.596 -3.910 10.679 1.00 6.99 C ATOM 1753 HA ILE X 120 -4.728 -7.750 9.522 1.00 0.00 H ATOM 1754 HB ILE X 120 -4.954 -6.039 12.040 1.00 0.00 H ATOM 1755 HG12 ILE X 120 -4.842 -5.174 9.153 1.00 0.00 H ATOM 1756 HG13 ILE X 120 -6.377 -5.710 9.875 1.00 0.00 H ATOM 1757 HD11 ILE X 120 -6.161 -3.997 11.607 1.00 0.00 H ATOM 1758 HD12 ILE X 120 -4.624 -3.461 10.884 1.00 0.00 H ATOM 1759 HD13 ILE X 120 -6.145 -3.285 9.975 1.00 0.00 H ATOM 1760 HG21 ILE X 120 -2.610 -6.712 11.701 1.00 0.00 H ATOM 1761 HG22 ILE X 120 -2.699 -6.182 10.003 1.00 0.00 H ATOM 1762 HG23 ILE X 120 -2.863 -4.992 11.318 1.00 0.00 H ATOM 1763 H ILE X 120 -6.980 -7.306 11.193 1.00 0.00 H ATOM 1764 N ALA X 121 -4.369 -9.069 12.472 1.00 8.45 N ATOM 1765 CA ALA X 121 -3.586 -9.923 13.321 1.00 8.25 C ATOM 1766 C ALA X 121 -3.502 -11.315 12.643 1.00 8.87 C ATOM 1767 O ALA X 121 -2.408 -11.933 12.527 1.00 8.16 O ATOM 1768 CB ALA X 121 -4.286 -10.020 14.701 1.00 7.97 C ATOM 1769 HA ALA X 121 -2.579 -9.532 13.469 1.00 0.00 H ATOM 1770 HB1 ALA X 121 -4.360 -9.025 15.140 1.00 0.00 H ATOM 1771 HB2 ALA X 121 -5.285 -10.437 14.572 1.00 0.00 H ATOM 1772 HB3 ALA X 121 -3.703 -10.666 15.358 1.00 0.00 H ATOM 1773 H ALA X 121 -5.300 -8.762 12.818 1.00 0.00 H ATOM 1774 N ALA X 122 -4.650 -11.795 12.176 1.00 8.63 N ATOM 1775 CA ALA X 122 -4.682 -13.046 11.398 1.00 9.80 C ATOM 1776 C ALA X 122 -3.660 -13.036 10.226 1.00 9.79 C ATOM 1777 O ALA X 122 -2.920 -14.037 9.989 1.00 8.55 O ATOM 1778 CB ALA X 122 -6.096 -13.343 10.881 1.00 9.21 C ATOM 1779 HA ALA X 122 -4.389 -13.846 12.078 1.00 0.00 H ATOM 1780 HB1 ALA X 122 -6.777 -13.441 11.726 1.00 0.00 H ATOM 1781 HB2 ALA X 122 -6.426 -12.526 10.240 1.00 0.00 H ATOM 1782 HB3 ALA X 122 -6.085 -14.272 10.311 1.00 0.00 H ATOM 1783 H ALA X 122 -5.535 -11.282 12.362 1.00 0.00 H ATOM 1784 N TRP X 123 -3.664 -11.926 9.480 1.00 8.37 N ATOM 1785 CA TRP X 123 -2.832 -11.814 8.292 1.00 7.71 C ATOM 1786 C TRP X 123 -1.357 -11.782 8.727 1.00 7.72 C ATOM 1787 O TRP X 123 -0.534 -12.542 8.182 1.00 6.82 O ATOM 1788 CB TRP X 123 -3.204 -10.562 7.526 1.00 7.54 C ATOM 1789 CG TRP X 123 -2.712 -10.546 6.122 1.00 6.07 C ATOM 1790 CD1 TRP X 123 -3.406 -10.926 5.031 1.00 3.36 C ATOM 1791 CD2 TRP X 123 -1.422 -10.112 5.664 1.00 6.68 C ATOM 1792 NE1 TRP X 123 -2.640 -10.777 3.915 1.00 7.42 N ATOM 1793 CE2 TRP X 123 -1.410 -10.276 4.270 1.00 7.88 C ATOM 1794 CE3 TRP X 123 -0.272 -9.593 6.304 1.00 7.35 C ATOM 1795 CZ2 TRP X 123 -0.290 -9.961 3.480 1.00 7.83 C ATOM 1796 CZ3 TRP X 123 0.846 -9.286 5.538 1.00 5.63 C ATOM 1797 CH2 TRP X 123 0.826 -9.470 4.125 1.00 7.26 C ATOM 1798 HA TRP X 123 -2.989 -12.669 7.634 1.00 0.00 H ATOM 1799 HB2 TRP X 123 -4.291 -10.479 7.510 1.00 0.00 H ATOM 1800 HB3 TRP X 123 -2.783 -9.702 8.047 1.00 0.00 H ATOM 1801 HE1 TRP X 123 -2.939 -11.006 2.946 1.00 0.00 H ATOM 1802 HD1 TRP X 123 -4.430 -11.298 5.041 1.00 0.00 H ATOM 1803 HZ2 TRP X 123 -0.303 -10.100 2.399 1.00 0.00 H ATOM 1804 HH2 TRP X 123 1.711 -9.217 3.542 1.00 0.00 H ATOM 1805 HZ3 TRP X 123 1.744 -8.902 6.021 1.00 0.00 H ATOM 1806 HE3 TRP X 123 -0.263 -9.436 7.383 1.00 0.00 H ATOM 1807 H TRP X 123 -4.273 -11.129 9.754 1.00 0.00 H ATOM 1808 N LEU X 124 -1.069 -10.967 9.749 1.00 6.11 N ATOM 1809 CA LEU X 124 0.276 -10.811 10.315 1.00 7.38 C ATOM 1810 C LEU X 124 0.895 -12.122 10.895 1.00 8.49 C ATOM 1811 O LEU X 124 2.128 -12.385 10.811 1.00 7.71 O ATOM 1812 CB LEU X 124 0.256 -9.681 11.362 1.00 6.77 C ATOM 1813 CG LEU X 124 1.602 -9.315 12.007 1.00 6.76 C ATOM 1814 CD1 LEU X 124 1.592 -7.936 12.504 1.00 6.49 C ATOM 1815 CD2 LEU X 124 1.865 -10.259 13.185 1.00 4.79 C ATOM 1816 HA LEU X 124 0.937 -10.547 9.490 1.00 0.00 H ATOM 1817 HB2 LEU X 124 -0.132 -8.786 10.875 1.00 0.00 H ATOM 1818 HB3 LEU X 124 -0.422 -9.982 12.160 1.00 0.00 H ATOM 1819 HG LEU X 124 2.382 -9.410 11.252 1.00 0.00 H ATOM 1820 HD21 LEU X 124 1.065 -10.155 13.918 1.00 0.00 H ATOM 1821 HD22 LEU X 124 1.897 -11.287 12.825 1.00 0.00 H ATOM 1822 HD23 LEU X 124 2.819 -10.004 13.647 1.00 0.00 H ATOM 1823 HD11 LEU X 124 1.405 -7.254 11.675 1.00 0.00 H ATOM 1824 HD12 LEU X 124 0.806 -7.826 13.251 1.00 0.00 H ATOM 1825 HD13 LEU X 124 2.558 -7.707 12.955 1.00 0.00 H ATOM 1826 H LEU X 124 -1.843 -10.412 10.166 1.00 0.00 H ATOM 1827 N ALA X 125 0.016 -12.912 11.513 1.00 8.51 N ATOM 1828 CA ALA X 125 0.374 -14.169 12.100 1.00 8.41 C ATOM 1829 C ALA X 125 1.051 -15.048 11.080 1.00 9.23 C ATOM 1830 O ALA X 125 1.899 -15.863 11.420 1.00 10.77 O ATOM 1831 CB ALA X 125 -0.866 -14.864 12.628 1.00 7.89 C ATOM 1832 HA ALA X 125 1.064 -13.986 12.924 1.00 0.00 H ATOM 1833 HB1 ALA X 125 -1.339 -14.236 13.383 1.00 0.00 H ATOM 1834 HB2 ALA X 125 -1.562 -15.035 11.807 1.00 0.00 H ATOM 1835 HB3 ALA X 125 -0.584 -15.819 13.072 1.00 0.00 H ATOM 1836 H ALA X 125 -0.975 -12.601 11.572 1.00 0.00 H ATOM 1837 N VAL X 126 0.636 -14.916 9.827 1.00 9.73 N ATOM 1838 CA VAL X 126 0.987 -15.846 8.759 1.00 8.88 C ATOM 1839 C VAL X 126 1.951 -15.207 7.759 1.00 9.19 C ATOM 1840 O VAL X 126 2.917 -15.813 7.377 1.00 8.59 O ATOM 1841 CB VAL X 126 -0.317 -16.405 8.094 1.00 9.40 C ATOM 1842 CG1 VAL X 126 -0.067 -16.994 6.715 1.00 9.80 C ATOM 1843 CG2 VAL X 126 -0.921 -17.492 8.999 1.00 8.84 C ATOM 1844 HA VAL X 126 1.525 -16.695 9.180 1.00 0.00 H ATOM 1845 HB VAL X 126 -1.003 -15.567 7.974 1.00 0.00 H ATOM 1846 HG11 VAL X 126 0.338 -16.223 6.060 1.00 0.00 H ATOM 1847 HG12 VAL X 126 0.645 -17.815 6.796 1.00 0.00 H ATOM 1848 HG13 VAL X 126 -1.006 -17.365 6.304 1.00 0.00 H ATOM 1849 HG21 VAL X 126 -0.200 -18.299 9.126 1.00 0.00 H ATOM 1850 HG22 VAL X 126 -1.161 -17.061 9.971 1.00 0.00 H ATOM 1851 HG23 VAL X 126 -1.829 -17.883 8.539 1.00 0.00 H ATOM 1852 H VAL X 126 0.027 -14.106 9.593 1.00 0.00 H ATOM 1853 N ASN X 127 1.706 -13.954 7.378 1.00 9.97 N ATOM 1854 CA ASN X 127 2.401 -13.327 6.247 1.00 10.19 C ATOM 1855 C ASN X 127 3.500 -12.359 6.607 1.00 10.13 C ATOM 1856 O ASN X 127 4.322 -12.009 5.765 1.00 10.99 O ATOM 1857 CB ASN X 127 1.379 -12.641 5.332 1.00 10.41 C ATOM 1858 CG ASN X 127 0.363 -13.611 4.797 1.00 7.58 C ATOM 1859 OD1 ASN X 127 -0.840 -13.441 4.995 1.00 9.84 O ATOM 1860 ND2 ASN X 127 0.842 -14.669 4.158 1.00 3.48 N ATOM 1861 HA ASN X 127 2.909 -14.145 5.737 1.00 0.00 H ATOM 1862 HB2 ASN X 127 0.862 -11.867 5.899 1.00 0.00 H ATOM 1863 HB3 ASN X 127 1.906 -12.185 4.494 1.00 0.00 H ATOM 1864 HD22 ASN X 127 1.867 -14.770 4.014 1.00 0.00 H ATOM 1865 HD21 ASN X 127 0.193 -15.398 3.800 1.00 0.00 H ATOM 1866 H ASN X 127 0.997 -13.400 7.900 1.00 0.00 H ATOM 1867 N GLY X 128 3.517 -11.947 7.869 1.00 9.93 N ATOM 1868 CA GLY X 128 4.587 -11.128 8.388 1.00 8.84 C ATOM 1869 C GLY X 128 4.159 -9.733 8.770 1.00 7.43 C ATOM 1870 O GLY X 128 3.009 -9.433 8.730 1.00 7.42 O ATOM 1871 HA3 GLY X 128 5.363 -11.053 7.626 1.00 0.00 H ATOM 1872 HA2 GLY X 128 4.995 -11.616 9.273 1.00 0.00 H ATOM 1873 H GLY X 128 2.738 -12.222 8.501 1.00 0.00 H ATOM 1874 N PRO X 129 5.124 -8.885 9.163 1.00 7.46 N ATOM 1875 CA PRO X 129 4.885 -7.544 9.639 1.00 7.01 C ATOM 1876 C PRO X 129 4.233 -6.673 8.583 1.00 7.70 C ATOM 1877 O PRO X 129 4.506 -6.825 7.366 1.00 7.91 O ATOM 1878 CB PRO X 129 6.306 -7.042 9.945 1.00 7.70 C ATOM 1879 CG PRO X 129 7.024 -8.228 10.248 1.00 6.61 C ATOM 1880 CD PRO X 129 6.554 -9.211 9.228 1.00 6.52 C ATOM 1881 HA PRO X 129 4.206 -7.515 10.491 1.00 0.00 H ATOM 1882 HD3 PRO X 129 7.044 -9.056 8.267 1.00 0.00 H ATOM 1883 HD2 PRO X 129 6.716 -10.238 9.556 1.00 0.00 H ATOM 1884 HG3 PRO X 129 6.792 -8.574 11.255 1.00 0.00 H ATOM 1885 HG2 PRO X 129 8.098 -8.063 10.161 1.00 0.00 H ATOM 1886 HB2 PRO X 129 6.735 -6.538 9.079 1.00 0.00 H ATOM 1887 HB3 PRO X 129 6.303 -6.361 10.796 1.00 0.00 H ATOM 1888 N VAL X 130 3.467 -5.703 9.075 1.00 7.24 N ATOM 1889 CA VAL X 130 2.559 -4.898 8.291 1.00 6.36 C ATOM 1890 C VAL X 130 2.846 -3.438 8.536 1.00 5.70 C ATOM 1891 O VAL X 130 3.035 -3.019 9.682 1.00 5.37 O ATOM 1892 CB VAL X 130 1.063 -5.191 8.766 1.00 6.85 C ATOM 1893 CG1 VAL X 130 0.125 -4.152 8.257 1.00 4.10 C ATOM 1894 CG2 VAL X 130 0.626 -6.628 8.326 1.00 6.36 C ATOM 1895 HA VAL X 130 2.683 -5.138 7.235 1.00 0.00 H ATOM 1896 HB VAL X 130 1.030 -5.147 9.855 1.00 0.00 H ATOM 1897 HG11 VAL X 130 0.426 -3.175 8.636 1.00 0.00 H ATOM 1898 HG12 VAL X 130 0.150 -4.144 7.167 1.00 0.00 H ATOM 1899 HG13 VAL X 130 -0.886 -4.379 8.597 1.00 0.00 H ATOM 1900 HG21 VAL X 130 0.677 -6.705 7.240 1.00 0.00 H ATOM 1901 HG22 VAL X 130 1.294 -7.363 8.776 1.00 0.00 H ATOM 1902 HG23 VAL X 130 -0.396 -6.813 8.657 1.00 0.00 H ATOM 1903 H VAL X 130 3.526 -5.511 10.095 1.00 0.00 H ATOM 1904 N ALA X 131 2.811 -2.640 7.475 1.00 5.73 N ATOM 1905 CA ALA X 131 2.920 -1.188 7.601 1.00 5.22 C ATOM 1906 C ALA X 131 1.568 -0.695 8.021 1.00 6.07 C ATOM 1907 O ALA X 131 0.572 -1.090 7.426 1.00 6.08 O ATOM 1908 CB ALA X 131 3.341 -0.529 6.233 1.00 4.48 C ATOM 1909 HA ALA X 131 3.686 -0.922 8.329 1.00 0.00 H ATOM 1910 HB1 ALA X 131 4.307 -0.926 5.922 1.00 0.00 H ATOM 1911 HB2 ALA X 131 2.592 -0.758 5.475 1.00 0.00 H ATOM 1912 HB3 ALA X 131 3.414 0.551 6.359 1.00 0.00 H ATOM 1913 H ALA X 131 2.703 -3.059 6.529 1.00 0.00 H ATOM 1914 N VAL X 132 1.523 0.150 9.050 1.00 6.71 N ATOM 1915 CA VAL X 132 0.295 0.799 9.515 1.00 7.16 C ATOM 1916 C VAL X 132 0.514 2.311 9.679 1.00 8.12 C ATOM 1917 O VAL X 132 1.648 2.787 9.889 1.00 7.87 O ATOM 1918 CB VAL X 132 -0.192 0.222 10.901 1.00 7.65 C ATOM 1919 CG1 VAL X 132 -0.810 -1.179 10.766 1.00 7.10 C ATOM 1920 CG2 VAL X 132 0.958 0.178 11.873 1.00 5.74 C ATOM 1921 HA VAL X 132 -0.466 0.601 8.760 1.00 0.00 H ATOM 1922 HB VAL X 132 -0.969 0.889 11.273 1.00 0.00 H ATOM 1923 HG11 VAL X 132 -1.670 -1.132 10.098 1.00 0.00 H ATOM 1924 HG12 VAL X 132 -0.068 -1.864 10.357 1.00 0.00 H ATOM 1925 HG13 VAL X 132 -1.129 -1.530 11.747 1.00 0.00 H ATOM 1926 HG21 VAL X 132 1.745 -0.462 11.474 1.00 0.00 H ATOM 1927 HG22 VAL X 132 1.347 1.186 12.020 1.00 0.00 H ATOM 1928 HG23 VAL X 132 0.611 -0.222 12.826 1.00 0.00 H ATOM 1929 H VAL X 132 2.410 0.361 9.551 1.00 0.00 H ATOM 1930 N ALA X 133 -0.576 3.058 9.623 1.00 8.46 N ATOM 1931 CA ALA X 133 -0.561 4.477 9.942 1.00 9.84 C ATOM 1932 C ALA X 133 -1.135 4.606 11.348 1.00 10.49 C ATOM 1933 O ALA X 133 -1.945 3.775 11.766 1.00 11.45 O ATOM 1934 CB ALA X 133 -1.425 5.247 8.949 1.00 10.46 C ATOM 1935 HA ALA X 133 0.448 4.886 9.887 1.00 0.00 H ATOM 1936 HB1 ALA X 133 -1.035 5.102 7.941 1.00 0.00 H ATOM 1937 HB2 ALA X 133 -2.450 4.879 9.000 1.00 0.00 H ATOM 1938 HB3 ALA X 133 -1.405 6.308 9.199 1.00 0.00 H ATOM 1939 H ALA X 133 -1.474 2.616 9.341 1.00 0.00 H ATOM 1940 N VAL X 134 -0.722 5.615 12.101 1.00 9.75 N ATOM 1941 CA VAL X 134 -1.257 5.783 13.452 1.00 9.08 C ATOM 1942 C VAL X 134 -1.467 7.255 13.745 1.00 9.37 C ATOM 1943 O VAL X 134 -0.898 8.119 13.081 1.00 9.67 O ATOM 1944 CB VAL X 134 -0.337 5.161 14.582 1.00 8.67 C ATOM 1945 CG1 VAL X 134 -0.371 3.604 14.585 1.00 5.21 C ATOM 1946 CG2 VAL X 134 1.103 5.762 14.538 1.00 9.09 C ATOM 1947 HA VAL X 134 -2.202 5.240 13.472 1.00 0.00 H ATOM 1948 HB VAL X 134 -0.754 5.451 15.546 1.00 0.00 H ATOM 1949 HG11 VAL X 134 -1.392 3.264 14.757 1.00 0.00 H ATOM 1950 HG12 VAL X 134 -0.020 3.232 13.622 1.00 0.00 H ATOM 1951 HG13 VAL X 134 0.276 3.229 15.378 1.00 0.00 H ATOM 1952 HG21 VAL X 134 1.554 5.551 13.568 1.00 0.00 H ATOM 1953 HG22 VAL X 134 1.050 6.840 14.688 1.00 0.00 H ATOM 1954 HG23 VAL X 134 1.707 5.313 15.327 1.00 0.00 H ATOM 1955 H VAL X 134 -0.019 6.286 11.732 1.00 0.00 H ATOM 1956 N ASP X 135 -2.271 7.545 14.753 1.00 10.34 N ATOM 1957 CA ASP X 135 -2.212 8.869 15.390 1.00 10.98 C ATOM 1958 C ASP X 135 -1.098 8.822 16.446 1.00 10.66 C ATOM 1959 O ASP X 135 -1.271 8.184 17.486 1.00 11.53 O ATOM 1960 CB ASP X 135 -3.581 9.211 16.024 1.00 11.62 C ATOM 1961 CG ASP X 135 -3.676 10.680 16.485 1.00 11.96 C ATOM 1962 OD1 ASP X 135 -4.820 11.231 16.594 1.00 10.85 O ATOM 1963 OD2 ASP X 135 -2.595 11.267 16.729 1.00 8.53 O ATOM 1964 HA ASP X 135 -1.993 9.649 14.660 1.00 0.00 H ATOM 1965 HB2 ASP X 135 -4.362 9.026 15.287 1.00 0.00 H ATOM 1966 HB3 ASP X 135 -3.737 8.564 16.887 1.00 0.00 H ATOM 1967 H ASP X 135 -2.948 6.834 15.097 1.00 0.00 H ATOM 1968 N ALA X 136 0.052 9.431 16.162 1.00 10.10 N ATOM 1969 CA ALA X 136 1.188 9.387 17.071 1.00 10.62 C ATOM 1970 C ALA X 136 1.193 10.578 18.003 1.00 11.62 C ATOM 1971 O ALA X 136 2.287 11.139 18.279 1.00 11.90 O ATOM 1972 CB ALA X 136 2.496 9.391 16.342 1.00 9.45 C ATOM 1973 HA ALA X 136 1.079 8.458 17.631 1.00 0.00 H ATOM 1974 HB1 ALA X 136 2.550 8.519 15.690 1.00 0.00 H ATOM 1975 HB2 ALA X 136 2.575 10.299 15.744 1.00 0.00 H ATOM 1976 HB3 ALA X 136 3.313 9.357 17.063 1.00 0.00 H ATOM 1977 H ALA X 136 0.141 9.952 15.266 1.00 0.00 H ATOM 1978 N SER X 139 0.129 11.865 18.011 1.00 26.38 N ATOM 1979 CA SER X 139 -0.106 12.856 19.044 1.00 26.60 C ATOM 1980 C SER X 139 0.370 12.430 20.438 1.00 25.80 C ATOM 1981 O SER X 139 1.051 13.202 21.075 1.00 27.15 O ATOM 1982 CB SER X 139 -1.586 13.188 19.082 1.00 25.71 C ATOM 1983 OG SER X 139 -1.945 13.401 17.757 1.00 26.54 O ATOM 1984 HA SER X 139 0.488 13.732 18.782 1.00 0.00 H ATOM 1985 HB2 SER X 139 -1.762 14.085 19.675 1.00 0.00 H ATOM 1986 HB3 SER X 139 -2.154 12.358 19.504 1.00 0.00 H ATOM 1987 HG SER X 139 -1.769 12.580 17.233 1.00 0.00 H ATOM 1988 H SER X 139 -0.448 11.971 17.152 1.00 0.00 H ATOM 1989 N SER X 140 -0.005 11.247 20.920 1.00 25.07 N ATOM 1990 CA SER X 140 0.325 10.842 22.292 1.00 24.42 C ATOM 1991 C SER X 140 1.803 10.476 22.479 1.00 24.58 C ATOM 1992 O SER X 140 2.300 10.430 23.611 1.00 26.01 O ATOM 1993 CB SER X 140 -0.440 9.586 22.693 1.00 25.03 C ATOM 1994 OG SER X 140 -1.833 9.711 22.629 1.00 24.39 O ATOM 1995 HA SER X 140 0.064 11.710 22.898 1.00 0.00 H ATOM 1996 HB2 SER X 140 -0.167 9.333 23.717 1.00 0.00 H ATOM 1997 HB3 SER X 140 -0.139 8.777 22.028 1.00 0.00 H ATOM 1998 HG SER X 140 -2.101 9.929 21.701 1.00 0.00 H ATOM 1999 H SER X 140 -0.543 10.597 20.312 1.00 0.00 H ATOM 2000 N TRP X 141 2.491 10.150 21.394 1.00 22.65 N ATOM 2001 CA TRP X 141 3.629 9.266 21.500 1.00 21.63 C ATOM 2002 C TRP X 141 4.965 9.842 21.964 1.00 22.62 C ATOM 2003 O TRP X 141 5.863 9.065 22.271 1.00 21.87 O ATOM 2004 CB TRP X 141 3.857 8.564 20.178 1.00 20.13 C ATOM 2005 CG TRP X 141 2.923 7.493 19.844 1.00 17.72 C ATOM 2006 CD1 TRP X 141 1.641 7.327 20.284 1.00 14.48 C ATOM 2007 CD2 TRP X 141 3.176 6.443 18.913 1.00 16.65 C ATOM 2008 NE1 TRP X 141 1.097 6.213 19.720 1.00 13.78 N ATOM 2009 CE2 TRP X 141 2.002 5.666 18.844 1.00 14.41 C ATOM 2010 CE3 TRP X 141 4.294 6.080 18.129 1.00 13.48 C ATOM 2011 CZ2 TRP X 141 1.913 4.538 18.049 1.00 13.98 C ATOM 2012 CZ3 TRP X 141 4.199 4.979 17.348 1.00 15.25 C ATOM 2013 CH2 TRP X 141 3.010 4.210 17.312 1.00 15.93 C ATOM 2014 HA TRP X 141 3.329 8.603 22.311 1.00 0.00 H ATOM 2015 HB2 TRP X 141 3.798 9.314 19.389 1.00 0.00 H ATOM 2016 HB3 TRP X 141 4.859 8.137 20.197 1.00 0.00 H ATOM 2017 HE1 TRP X 141 0.148 5.837 19.921 1.00 0.00 H ATOM 2018 HD1 TRP X 141 1.129 7.988 20.983 1.00 0.00 H ATOM 2019 HZ2 TRP X 141 1.004 3.937 18.014 1.00 0.00 H ATOM 2020 HH2 TRP X 141 2.972 3.327 16.674 1.00 0.00 H ATOM 2021 HZ3 TRP X 141 5.051 4.679 16.737 1.00 0.00 H ATOM 2022 HE3 TRP X 141 5.209 6.671 18.153 1.00 0.00 H ATOM 2023 H TRP X 141 2.212 10.530 20.467 1.00 0.00 H ATOM 2024 N MET X 142 5.095 11.171 22.013 1.00 24.30 N ATOM 2025 CA MET X 142 6.284 11.823 22.567 1.00 25.83 C ATOM 2026 C MET X 142 6.371 11.747 24.079 1.00 25.08 C ATOM 2027 O MET X 142 7.464 11.764 24.636 1.00 25.64 O ATOM 2028 CB MET X 142 6.423 13.271 22.067 1.00 28.11 C ATOM 2029 CG MET X 142 6.933 13.317 20.600 1.00 32.92 C ATOM 2030 SD MET X 142 8.609 12.526 20.274 1.00 43.70 S ATOM 2031 CE MET X 142 8.820 13.060 18.517 1.00 36.76 C ATOM 2032 HA MET X 142 7.133 11.252 22.191 1.00 0.00 H ATOM 2033 HB2 MET X 142 5.450 13.760 22.120 1.00 0.00 H ATOM 2034 HB3 MET X 142 7.130 13.801 22.705 1.00 0.00 H ATOM 2035 HG2 MET X 142 6.996 14.364 20.303 1.00 0.00 H ATOM 2036 HG3 MET X 142 6.198 12.807 19.977 1.00 0.00 H ATOM 2037 HE1 MET X 142 8.003 12.661 17.917 1.00 0.00 H ATOM 2038 HE2 MET X 142 8.812 14.149 18.466 1.00 0.00 H ATOM 2039 HE3 MET X 142 9.770 12.684 18.136 1.00 0.00 H ATOM 2040 H MET X 142 4.324 11.764 21.644 1.00 0.00 H ATOM 2041 N THR X 143 5.236 11.621 24.754 1.00 24.41 N ATOM 2042 CA THR X 143 5.269 11.284 26.194 1.00 23.61 C ATOM 2043 C THR X 143 5.522 9.774 26.541 1.00 22.38 C ATOM 2044 O THR X 143 5.586 9.438 27.716 1.00 22.61 O ATOM 2045 CB THR X 143 3.957 11.724 26.899 1.00 24.09 C ATOM 2046 OG1 THR X 143 2.842 10.931 26.432 1.00 24.23 O ATOM 2047 CG2 THR X 143 3.691 13.209 26.672 1.00 25.67 C ATOM 2048 HA THR X 143 6.134 11.837 26.560 1.00 0.00 H ATOM 2049 HB THR X 143 4.074 11.560 27.970 1.00 0.00 H ATOM 2050 HG1 THR X 143 2.739 11.052 25.455 1.00 0.00 H ATOM 2051 HG23 THR X 143 4.542 13.788 27.030 1.00 0.00 H ATOM 2052 HG21 THR X 143 3.547 13.392 25.607 1.00 0.00 H ATOM 2053 HG22 THR X 143 2.794 13.504 27.217 1.00 0.00 H ATOM 2054 H THR X 143 4.325 11.759 24.272 1.00 0.00 H ATOM 2055 N TYR X 144 5.634 8.879 25.555 1.00 19.56 N ATOM 2056 CA TYR X 144 5.684 7.441 25.839 1.00 17.63 C ATOM 2057 C TYR X 144 7.072 7.025 26.254 1.00 18.58 C ATOM 2058 O TYR X 144 8.053 7.276 25.517 1.00 17.30 O ATOM 2059 CB TYR X 144 5.288 6.610 24.605 1.00 16.24 C ATOM 2060 CG TYR X 144 5.447 5.116 24.759 1.00 12.58 C ATOM 2061 CD1 TYR X 144 6.553 4.425 24.191 1.00 9.68 C ATOM 2062 CD2 TYR X 144 4.518 4.389 25.479 1.00 6.45 C ATOM 2063 CE1 TYR X 144 6.690 3.047 24.342 1.00 8.17 C ATOM 2064 CE2 TYR X 144 4.618 3.018 25.599 1.00 12.64 C ATOM 2065 CZ TYR X 144 5.699 2.355 25.057 1.00 13.39 C ATOM 2066 OH TYR X 144 5.736 0.998 25.250 1.00 14.52 O ATOM 2067 HA TYR X 144 4.977 7.256 26.648 1.00 0.00 H ATOM 2068 HB3 TYR X 144 5.908 6.931 23.768 1.00 0.00 H ATOM 2069 HB2 TYR X 144 4.242 6.817 24.380 1.00 0.00 H ATOM 2070 HD2 TYR X 144 3.690 4.909 25.961 1.00 0.00 H ATOM 2071 HE2 TYR X 144 3.842 2.459 26.122 1.00 0.00 H ATOM 2072 HE1 TYR X 144 7.544 2.520 23.916 1.00 0.00 H ATOM 2073 HD1 TYR X 144 7.304 4.981 23.630 1.00 0.00 H ATOM 2074 HH TYR X 144 5.755 0.804 26.221 1.00 0.00 H ATOM 2075 H TYR X 144 5.687 9.208 24.570 1.00 0.00 H ATOM 2076 N THR X 145 7.123 6.338 27.409 1.00 18.73 N ATOM 2077 CA THR X 145 8.336 5.817 28.004 1.00 19.67 C ATOM 2078 C THR X 145 8.395 4.271 28.165 1.00 20.02 C ATOM 2079 O THR X 145 9.468 3.720 28.477 1.00 21.00 O ATOM 2080 CB THR X 145 8.602 6.457 29.421 1.00 19.66 C ATOM 2081 OG1 THR X 145 7.408 6.419 30.226 1.00 17.75 O ATOM 2082 CG2 THR X 145 9.096 7.906 29.281 1.00 22.73 C ATOM 2083 HA THR X 145 9.105 6.095 27.284 1.00 0.00 H ATOM 2084 HB THR X 145 9.378 5.872 29.915 1.00 0.00 H ATOM 2085 HG1 THR X 145 7.594 6.824 31.110 1.00 0.00 H ATOM 2086 HG23 THR X 145 9.999 7.923 28.671 1.00 0.00 H ATOM 2087 HG21 THR X 145 8.322 8.508 28.804 1.00 0.00 H ATOM 2088 HG22 THR X 145 9.316 8.311 30.269 1.00 0.00 H ATOM 2089 H THR X 145 6.228 6.169 27.910 1.00 0.00 H ATOM 2090 N GLY X 146 7.277 3.564 28.043 1.00 19.22 N ATOM 2091 CA GLY X 146 7.345 2.115 28.223 1.00 17.71 C ATOM 2092 C GLY X 146 6.030 1.542 28.671 1.00 17.79 C ATOM 2093 O GLY X 146 5.068 2.272 28.955 1.00 17.70 O ATOM 2094 HA3 GLY X 146 8.102 1.888 28.974 1.00 0.00 H ATOM 2095 HA2 GLY X 146 7.625 1.655 27.275 1.00 0.00 H ATOM 2096 H GLY X 146 6.374 4.031 27.824 1.00 0.00 H ATOM 2097 N GLY X 147 5.953 0.221 28.691 1.00 17.08 N ATOM 2098 CA GLY X 147 4.687 -0.393 29.005 1.00 17.22 C ATOM 2099 C GLY X 147 3.646 -0.360 27.894 1.00 16.99 C ATOM 2100 O GLY X 147 3.912 0.012 26.732 1.00 15.82 O ATOM 2101 HA3 GLY X 147 4.270 0.121 29.871 1.00 0.00 H ATOM 2102 HA2 GLY X 147 4.874 -1.436 29.259 1.00 0.00 H ATOM 2103 H GLY X 147 6.789 -0.362 28.484 1.00 0.00 H ATOM 2104 N VAL X 148 2.457 -0.808 28.251 1.00 16.88 N ATOM 2105 CA VAL X 148 1.439 -0.983 27.244 1.00 18.27 C ATOM 2106 C VAL X 148 0.617 0.294 27.247 1.00 20.09 C ATOM 2107 O VAL X 148 -0.183 0.523 28.144 1.00 22.15 O ATOM 2108 CB VAL X 148 0.568 -2.206 27.507 1.00 16.53 C ATOM 2109 CG1 VAL X 148 -0.480 -2.312 26.511 1.00 16.01 C ATOM 2110 CG2 VAL X 148 1.394 -3.470 27.532 1.00 16.06 C ATOM 2111 HA VAL X 148 1.894 -1.162 26.269 1.00 0.00 H ATOM 2112 HB VAL X 148 0.108 -2.081 28.487 1.00 0.00 H ATOM 2113 HG11 VAL X 148 -1.105 -1.419 26.546 1.00 0.00 H ATOM 2114 HG12 VAL X 148 -0.031 -2.404 25.522 1.00 0.00 H ATOM 2115 HG13 VAL X 148 -1.089 -3.192 26.719 1.00 0.00 H ATOM 2116 HG21 VAL X 148 1.891 -3.597 26.570 1.00 0.00 H ATOM 2117 HG22 VAL X 148 2.142 -3.398 28.322 1.00 0.00 H ATOM 2118 HG23 VAL X 148 0.744 -4.324 27.722 1.00 0.00 H ATOM 2119 H VAL X 148 2.256 -1.032 29.247 1.00 0.00 H ATOM 2120 N MET X 149 0.433 1.131 26.575 1.00 20.76 N ATOM 2121 CA MET X 149 -0.262 2.379 26.497 1.00 22.20 C ATOM 2122 C MET X 149 -1.768 2.042 26.533 1.00 21.74 C ATOM 2123 O MET X 149 -2.295 1.266 25.715 1.00 22.75 O ATOM 2124 CB MET X 149 0.144 3.187 25.266 1.00 20.97 C ATOM 2125 CG MET X 149 -0.450 4.587 25.278 1.00 23.11 C ATOM 2126 SD MET X 149 0.209 5.590 23.970 1.00 24.77 S ATOM 2127 CE MET X 149 1.885 5.774 24.596 1.00 23.35 C ATOM 2128 HA MET X 149 -0.004 3.026 27.336 1.00 0.00 H ATOM 2129 HB2 MET X 149 1.231 3.266 25.240 1.00 0.00 H ATOM 2130 HB3 MET X 149 -0.202 2.666 24.373 1.00 0.00 H ATOM 2131 HG2 MET X 149 -0.224 5.059 26.234 1.00 0.00 H ATOM 2132 HG3 MET X 149 -1.531 4.514 25.157 1.00 0.00 H ATOM 2133 HE1 MET X 149 1.856 6.260 25.571 1.00 0.00 H ATOM 2134 HE2 MET X 149 2.346 4.791 24.692 1.00 0.00 H ATOM 2135 HE3 MET X 149 2.466 6.383 23.903 1.00 0.00 H ATOM 2136 H MET X 149 0.937 0.966 25.680 1.00 0.00 H ATOM 2137 N THR X 151 -3.016 2.474 27.066 1.00 26.14 N ATOM 2138 CA THR X 151 -4.316 1.848 27.221 1.00 26.62 C ATOM 2139 C THR X 151 -5.267 2.938 26.849 1.00 27.25 C ATOM 2140 O THR X 151 -6.472 2.712 26.714 1.00 28.91 O ATOM 2141 CB THR X 151 -4.535 1.432 28.638 1.00 26.97 C ATOM 2142 OG1 THR X 151 -4.000 2.447 29.499 1.00 27.84 O ATOM 2143 CG2 THR X 151 -3.826 0.071 28.946 1.00 25.79 C ATOM 2144 HA THR X 151 -4.431 0.948 26.616 1.00 0.00 H ATOM 2145 HB THR X 151 -5.604 1.304 28.805 1.00 0.00 H ATOM 2146 HG1 THR X 151 -4.139 2.184 30.443 1.00 0.00 H ATOM 2147 HG23 THR X 151 -4.230 -0.703 28.294 1.00 0.00 H ATOM 2148 HG21 THR X 151 -2.755 0.173 28.771 1.00 0.00 H ATOM 2149 HG22 THR X 151 -4.001 -0.201 29.987 1.00 0.00 H ATOM 2150 H THR X 151 -2.990 3.451 27.422 1.00 0.00 H ATOM 2151 N SER X 152 -4.694 4.120 26.636 1.00 26.60 N ATOM 2152 CA SER X 152 -5.427 5.291 26.272 1.00 26.40 C ATOM 2153 C SER X 152 -4.489 6.019 25.335 1.00 25.87 C ATOM 2154 O SER X 152 -3.387 6.413 25.754 1.00 27.99 O ATOM 2155 CB SER X 152 -5.703 6.158 27.507 1.00 27.77 C ATOM 2156 OG SER X 152 -7.048 6.664 27.487 1.00 28.35 O ATOM 2157 HA SER X 152 -6.394 5.061 25.825 1.00 0.00 H ATOM 2158 HB2 SER X 152 -5.006 6.996 27.518 1.00 0.00 H ATOM 2159 HB3 SER X 152 -5.561 5.557 28.405 1.00 0.00 H ATOM 2160 HG SER X 152 -7.202 7.219 28.292 1.00 0.00 H ATOM 2161 H SER X 152 -3.662 4.195 26.740 1.00 0.00 H ATOM 2162 N CYS X 153 -4.894 6.134 24.069 1.00 22.28 N ATOM 2163 CA CYS X 153 -4.093 6.728 23.027 1.00 20.28 C ATOM 2164 C CYS X 153 -5.001 7.726 22.294 1.00 19.99 C ATOM 2165 O CYS X 153 -6.130 7.368 21.933 1.00 18.63 O ATOM 2166 CB CYS X 153 -3.581 5.654 22.075 1.00 19.22 C ATOM 2167 SG CYS X 153 -2.618 6.286 20.677 1.00 18.89 S ATOM 2168 HA CYS X 153 -3.218 7.232 23.437 1.00 0.00 H ATOM 2169 HB2 CYS X 153 -4.440 5.112 21.680 1.00 0.00 H ATOM 2170 HB3 CYS X 153 -2.950 4.969 22.642 1.00 0.00 H ATOM 2171 H CYS X 153 -5.838 5.776 23.820 1.00 0.00 H ATOM 2172 N VAL X 154 -4.519 8.962 22.096 1.00 18.94 N ATOM 2173 CA VAL X 154 -5.271 9.988 21.359 1.00 19.68 C ATOM 2174 C VAL X 154 -5.467 9.469 19.927 1.00 19.54 C ATOM 2175 O VAL X 154 -4.496 9.162 19.204 1.00 19.01 O ATOM 2176 CB VAL X 154 -4.586 11.384 21.454 1.00 19.88 C ATOM 2177 CG1 VAL X 154 -5.139 12.375 20.444 1.00 19.66 C ATOM 2178 CG2 VAL X 154 -4.655 11.937 22.935 1.00 21.23 C ATOM 2179 HA VAL X 154 -6.253 10.155 21.801 1.00 0.00 H ATOM 2180 HB VAL X 154 -3.536 11.253 21.194 1.00 0.00 H ATOM 2181 HG11 VAL X 154 -4.981 11.991 19.436 1.00 0.00 H ATOM 2182 HG12 VAL X 154 -6.206 12.512 20.618 1.00 0.00 H ATOM 2183 HG13 VAL X 154 -4.626 13.330 20.555 1.00 0.00 H ATOM 2184 HG21 VAL X 154 -5.698 12.033 23.237 1.00 0.00 H ATOM 2185 HG22 VAL X 154 -4.143 11.245 23.604 1.00 0.00 H ATOM 2186 HG23 VAL X 154 -4.171 12.913 22.980 1.00 0.00 H ATOM 2187 H VAL X 154 -3.582 9.203 22.477 1.00 0.00 H ATOM 2188 N SER X 155 -6.736 9.293 19.567 1.00 19.98 N ATOM 2189 CA SER X 155 -7.138 8.583 18.342 1.00 19.71 C ATOM 2190 C SER X 155 -7.993 9.458 17.460 1.00 19.94 C ATOM 2191 O SER X 155 -9.183 9.268 17.364 1.00 21.21 O ATOM 2192 CB SER X 155 -7.888 7.309 18.715 1.00 18.90 C ATOM 2193 OG SER X 155 -7.033 6.456 19.464 1.00 20.76 O ATOM 2194 HA SER X 155 -6.241 8.324 17.780 1.00 0.00 H ATOM 2195 HB2 SER X 155 -8.208 6.797 17.808 1.00 0.00 H ATOM 2196 HB3 SER X 155 -8.762 7.564 19.314 1.00 0.00 H ATOM 2197 HG SER X 155 -6.744 6.922 20.288 1.00 0.00 H ATOM 2198 H SER X 155 -7.481 9.677 20.182 1.00 0.00 H ATOM 2199 N GLU X 156 -7.388 10.419 16.800 1.00 20.68 N ATOM 2200 CA GLU X 156 -8.169 11.429 16.105 1.00 22.27 C ATOM 2201 C GLU X 156 -7.730 11.589 14.657 1.00 21.46 C ATOM 2202 O GLU X 156 -8.557 11.685 13.774 1.00 20.67 O ATOM 2203 CB GLU X 156 -8.073 12.781 16.825 1.00 23.00 C ATOM 2204 CG GLU X 156 -8.888 12.865 18.102 1.00 28.54 C ATOM 2205 CD GLU X 156 -8.525 14.118 18.889 1.00 37.92 C ATOM 2206 OE1 GLU X 156 -8.535 15.198 18.261 1.00 40.51 O ATOM 2207 OE2 GLU X 156 -8.194 14.042 20.110 1.00 41.50 O ATOM 2208 HA GLU X 156 -9.205 11.089 16.110 1.00 0.00 H ATOM 2209 HB2 GLU X 156 -7.027 12.963 17.074 1.00 0.00 H ATOM 2210 HB3 GLU X 156 -8.423 13.557 16.144 1.00 0.00 H ATOM 2211 HG2 GLU X 156 -9.948 12.895 17.849 1.00 0.00 H ATOM 2212 HG3 GLU X 156 -8.686 11.986 18.714 1.00 0.00 H ATOM 2213 H GLU X 156 -6.349 10.457 16.775 1.00 0.00 H ATOM 2214 N GLN X 156A -6.430 11.618 14.410 1.00 21.18 N ATOM 2215 CA GLN X 156A -5.952 11.765 13.035 1.00 20.80 C ATOM 2216 C GLN X 156A -4.629 11.068 12.759 1.00 19.34 C ATOM 2217 O GLN X 156A -3.639 11.258 13.489 1.00 20.62 O ATOM 2218 CB GLN X 156A -5.781 13.233 12.756 1.00 20.91 C ATOM 2219 CG GLN X 156A -5.880 13.655 11.343 1.00 24.92 C ATOM 2220 CD GLN X 156A -5.489 15.117 11.309 1.00 33.49 C ATOM 2221 OE1 GLN X 156A -4.316 15.459 11.052 1.00 39.12 O ATOM 2222 NE2 GLN X 156A -6.430 15.991 11.695 1.00 35.15 N ATOM 2223 HA GLN X 156A -6.693 11.294 12.389 1.00 0.00 H ATOM 2224 HB2 GLN X 156A -6.549 13.768 13.315 1.00 0.00 H ATOM 2225 HB3 GLN X 156A -4.797 13.527 13.121 1.00 0.00 H ATOM 2226 HG2 GLN X 156A -5.201 13.068 10.725 1.00 0.00 H ATOM 2227 HG3 GLN X 156A -6.900 13.528 10.981 1.00 0.00 H ATOM 2228 HE22 GLN X 156A -7.395 15.660 11.899 1.00 0.00 H ATOM 2229 HE21 GLN X 156A -6.195 17.000 11.791 1.00 0.00 H ATOM 2230 H GLN X 156A -5.749 11.536 15.192 1.00 0.00 H ATOM 2231 N LEU X 157 -4.624 10.298 11.688 1.00 17.13 N ATOM 2232 CA LEU X 157 -3.472 9.570 11.229 1.00 16.16 C ATOM 2233 C LEU X 157 -2.388 10.538 10.841 1.00 14.25 C ATOM 2234 O LEU X 157 -2.648 11.443 10.116 1.00 14.45 O ATOM 2235 CB LEU X 157 -3.863 8.710 10.017 1.00 15.72 C ATOM 2236 CG LEU X 157 -4.449 7.290 10.203 1.00 16.69 C ATOM 2237 CD1 LEU X 157 -4.308 6.689 11.548 1.00 10.66 C ATOM 2238 CD2 LEU X 157 -5.875 7.286 9.839 1.00 23.12 C ATOM 2239 HA LEU X 157 -3.105 8.923 12.026 1.00 0.00 H ATOM 2240 HB2 LEU X 157 -4.605 9.281 9.458 1.00 0.00 H ATOM 2241 HB3 LEU X 157 -2.962 8.597 9.413 1.00 0.00 H ATOM 2242 HG LEU X 157 -3.845 6.669 9.542 1.00 0.00 H ATOM 2243 HD21 LEU X 157 -6.414 7.985 10.479 1.00 0.00 H ATOM 2244 HD22 LEU X 157 -5.984 7.587 8.797 1.00 0.00 H ATOM 2245 HD23 LEU X 157 -6.280 6.283 9.973 1.00 0.00 H ATOM 2246 HD11 LEU X 157 -3.251 6.611 11.801 1.00 0.00 H ATOM 2247 HD12 LEU X 157 -4.813 7.319 12.281 1.00 0.00 H ATOM 2248 HD13 LEU X 157 -4.757 5.696 11.550 1.00 0.00 H ATOM 2249 H LEU X 157 -5.506 10.212 11.143 1.00 0.00 H ATOM 2250 N ASP X 158 -1.162 10.350 11.289 1.00 13.41 N ATOM 2251 CA ASP X 158 -0.127 11.328 10.945 1.00 12.13 C ATOM 2252 C ASP X 158 1.252 10.739 10.935 1.00 11.13 C ATOM 2253 O ASP X 158 2.251 11.445 10.765 1.00 10.34 O ATOM 2254 CB ASP X 158 -0.184 12.569 11.870 1.00 13.22 C ATOM 2255 CG ASP X 158 0.082 12.240 13.350 1.00 14.90 C ATOM 2256 OD1 ASP X 158 -0.033 13.175 14.185 1.00 18.64 O ATOM 2257 OD2 ASP X 158 0.381 11.065 13.691 1.00 17.17 O ATOM 2258 HA ASP X 158 -0.345 11.648 9.926 1.00 0.00 H ATOM 2259 HB2 ASP X 158 0.566 13.285 11.535 1.00 0.00 H ATOM 2260 HB3 ASP X 158 -1.174 13.017 11.788 1.00 0.00 H ATOM 2261 H ASP X 158 -0.934 9.522 11.876 1.00 0.00 H ATOM 2262 N HIS X 159 1.313 9.424 11.073 1.00 10.42 N ATOM 2263 CA HIS X 159 2.596 8.795 11.213 1.00 9.29 C ATOM 2264 C HIS X 159 2.503 7.364 10.688 1.00 9.54 C ATOM 2265 O HIS X 159 1.486 6.708 10.861 1.00 8.65 O ATOM 2266 CB HIS X 159 2.963 8.852 12.694 1.00 9.25 C ATOM 2267 CG HIS X 159 4.290 8.272 13.040 1.00 6.83 C ATOM 2268 ND1 HIS X 159 5.441 8.571 12.356 1.00 8.48 N ATOM 2269 CD2 HIS X 159 4.659 7.457 14.055 1.00 8.31 C ATOM 2270 CE1 HIS X 159 6.467 7.958 12.923 1.00 7.94 C ATOM 2271 NE2 HIS X 159 6.022 7.285 13.970 1.00 8.55 N ATOM 2272 HA HIS X 159 3.373 9.298 10.638 1.00 0.00 H ATOM 2273 HB2 HIS X 159 2.961 9.897 13.003 1.00 0.00 H ATOM 2274 HB3 HIS X 159 2.201 8.308 13.252 1.00 0.00 H ATOM 2275 HD2 HIS X 159 3.998 7.018 14.802 1.00 0.00 H ATOM 2276 HE1 HIS X 159 7.502 8.001 12.585 1.00 0.00 H ATOM 2277 H HIS X 159 0.443 8.854 11.080 1.00 0.00 H ATOM 2278 N GLY X 160 3.582 6.918 10.039 1.00 8.18 N ATOM 2279 CA GLY X 160 3.697 5.595 9.555 1.00 7.15 C ATOM 2280 C GLY X 160 4.712 4.792 10.347 1.00 7.27 C ATOM 2281 O GLY X 160 5.860 5.246 10.554 1.00 6.99 O ATOM 2282 HA3 GLY X 160 4.009 5.627 8.511 1.00 0.00 H ATOM 2283 HA2 GLY X 160 2.725 5.106 9.628 1.00 0.00 H ATOM 2284 H GLY X 160 4.374 7.574 9.883 1.00 0.00 H ATOM 2285 N VAL X 161 4.293 3.586 10.760 1.00 6.42 N ATOM 2286 CA VAL X 161 5.131 2.689 11.580 1.00 5.44 C ATOM 2287 C VAL X 161 4.983 1.252 11.072 1.00 5.78 C ATOM 2288 O VAL X 161 4.376 1.047 10.043 1.00 5.25 O ATOM 2289 CB VAL X 161 4.830 2.811 13.102 1.00 5.55 C ATOM 2290 CG1 VAL X 161 5.283 4.186 13.664 1.00 2.33 C ATOM 2291 CG2 VAL X 161 3.336 2.595 13.411 1.00 4.00 C ATOM 2292 HA VAL X 161 6.171 2.995 11.470 1.00 0.00 H ATOM 2293 HB VAL X 161 5.402 2.024 13.593 1.00 0.00 H ATOM 2294 HG11 VAL X 161 6.356 4.303 13.514 1.00 0.00 H ATOM 2295 HG12 VAL X 161 4.753 4.983 13.142 1.00 0.00 H ATOM 2296 HG13 VAL X 161 5.057 4.234 14.729 1.00 0.00 H ATOM 2297 HG21 VAL X 161 2.745 3.344 12.884 1.00 0.00 H ATOM 2298 HG22 VAL X 161 3.039 1.599 13.082 1.00 0.00 H ATOM 2299 HG23 VAL X 161 3.171 2.689 14.484 1.00 0.00 H ATOM 2300 H VAL X 161 3.339 3.270 10.491 1.00 0.00 H ATOM 2301 N LEU X 162 5.570 0.288 11.775 1.00 6.20 N ATOM 2302 CA LEU X 162 5.633 -1.124 11.371 1.00 6.42 C ATOM 2303 C LEU X 162 5.121 -2.021 12.512 1.00 6.74 C ATOM 2304 O LEU X 162 5.644 -1.973 13.625 1.00 5.51 O ATOM 2305 CB LEU X 162 7.084 -1.529 11.016 1.00 6.88 C ATOM 2306 CG LEU X 162 7.230 -2.931 10.434 1.00 7.03 C ATOM 2307 CD1 LEU X 162 6.434 -3.128 9.063 1.00 8.87 C ATOM 2308 CD2 LEU X 162 8.701 -3.440 10.347 1.00 4.45 C ATOM 2309 HA LEU X 162 5.004 -1.254 10.490 1.00 0.00 H ATOM 2310 HB2 LEU X 162 7.467 -0.816 10.285 1.00 0.00 H ATOM 2311 HB3 LEU X 162 7.684 -1.474 11.924 1.00 0.00 H ATOM 2312 HG LEU X 162 6.748 -3.578 11.167 1.00 0.00 H ATOM 2313 HD21 LEU X 162 9.279 -2.769 9.712 1.00 0.00 H ATOM 2314 HD22 LEU X 162 9.136 -3.462 11.346 1.00 0.00 H ATOM 2315 HD23 LEU X 162 8.712 -4.444 9.922 1.00 0.00 H ATOM 2316 HD11 LEU X 162 5.372 -2.949 9.232 1.00 0.00 H ATOM 2317 HD12 LEU X 162 6.809 -2.422 8.322 1.00 0.00 H ATOM 2318 HD13 LEU X 162 6.580 -4.146 8.703 1.00 0.00 H ATOM 2319 H LEU X 162 6.017 0.552 12.676 1.00 0.00 H ATOM 2320 N LEU X 163 4.056 -2.786 12.231 1.00 6.56 N ATOM 2321 CA LEU X 163 3.451 -3.683 13.181 1.00 6.26 C ATOM 2322 C LEU X 163 4.241 -4.998 13.053 1.00 7.11 C ATOM 2323 O LEU X 163 4.298 -5.555 11.970 1.00 8.17 O ATOM 2324 CB LEU X 163 1.998 -3.881 12.785 1.00 5.23 C ATOM 2325 CG LEU X 163 0.793 -3.945 13.723 1.00 6.81 C ATOM 2326 CD1 LEU X 163 0.695 -2.777 14.804 1.00 5.82 C ATOM 2327 CD2 LEU X 163 -0.489 -3.988 12.883 1.00 6.61 C ATOM 2328 HA LEU X 163 3.475 -3.314 14.206 1.00 0.00 H ATOM 2329 HB2 LEU X 163 1.779 -3.062 12.100 1.00 0.00 H ATOM 2330 HB3 LEU X 163 1.981 -4.824 12.239 1.00 0.00 H ATOM 2331 HG LEU X 163 0.926 -4.853 14.311 1.00 0.00 H ATOM 2332 HD21 LEU X 163 -0.548 -3.091 12.267 1.00 0.00 H ATOM 2333 HD22 LEU X 163 -0.473 -4.870 12.243 1.00 0.00 H ATOM 2334 HD23 LEU X 163 -1.354 -4.034 13.545 1.00 0.00 H ATOM 2335 HD11 LEU X 163 1.580 -2.798 15.440 1.00 0.00 H ATOM 2336 HD12 LEU X 163 0.635 -1.816 14.294 1.00 0.00 H ATOM 2337 HD13 LEU X 163 -0.196 -2.922 15.414 1.00 0.00 H ATOM 2338 H LEU X 163 3.646 -2.728 11.277 1.00 0.00 H ATOM 2339 N VAL X 164 4.849 -5.467 14.140 1.00 6.88 N ATOM 2340 CA VAL X 164 5.720 -6.637 14.147 1.00 7.61 C ATOM 2341 C VAL X 164 5.283 -7.863 14.994 1.00 7.21 C ATOM 2342 O VAL X 164 5.881 -8.920 14.838 1.00 7.15 O ATOM 2343 CB VAL X 164 7.187 -6.280 14.534 1.00 8.34 C ATOM 2344 CG1 VAL X 164 7.663 -5.077 13.740 1.00 9.34 C ATOM 2345 CG2 VAL X 164 7.333 -6.038 16.033 1.00 7.50 C ATOM 2346 HA VAL X 164 5.637 -6.955 13.108 1.00 0.00 H ATOM 2347 HB VAL X 164 7.816 -7.134 14.284 1.00 0.00 H ATOM 2348 HG11 VAL X 164 7.621 -5.306 12.675 1.00 0.00 H ATOM 2349 HG12 VAL X 164 7.020 -4.224 13.955 1.00 0.00 H ATOM 2350 HG13 VAL X 164 8.689 -4.840 14.022 1.00 0.00 H ATOM 2351 HG21 VAL X 164 6.688 -5.211 16.331 1.00 0.00 H ATOM 2352 HG22 VAL X 164 7.044 -6.939 16.575 1.00 0.00 H ATOM 2353 HG23 VAL X 164 8.370 -5.792 16.261 1.00 0.00 H ATOM 2354 H VAL X 164 4.694 -4.969 15.040 1.00 0.00 H ATOM 2355 N GLY X 165 4.286 -7.701 15.857 1.00 5.98 N ATOM 2356 CA GLY X 165 3.716 -8.785 16.616 1.00 8.23 C ATOM 2357 C GLY X 165 2.531 -8.323 17.453 1.00 9.44 C ATOM 2358 O GLY X 165 2.090 -7.166 17.395 1.00 9.82 O ATOM 2359 HA3 GLY X 165 4.479 -9.193 17.279 1.00 0.00 H ATOM 2360 HA2 GLY X 165 3.382 -9.561 15.928 1.00 0.00 H ATOM 2361 H GLY X 165 3.898 -6.745 15.991 1.00 0.00 H ATOM 2362 N TYR X 166 1.992 -9.234 18.234 1.00 9.84 N ATOM 2363 CA TYR X 166 0.911 -8.906 19.145 1.00 10.70 C ATOM 2364 C TYR X 166 0.902 -9.996 20.213 1.00 11.46 C ATOM 2365 O TYR X 166 1.369 -11.096 19.972 1.00 10.72 O ATOM 2366 CB TYR X 166 -0.437 -8.877 18.420 1.00 9.08 C ATOM 2367 CG TYR X 166 -0.838 -10.239 17.926 1.00 9.94 C ATOM 2368 CD1 TYR X 166 -1.433 -11.206 18.775 1.00 9.32 C ATOM 2369 CD2 TYR X 166 -0.640 -10.573 16.601 1.00 10.36 C ATOM 2370 CE1 TYR X 166 -1.773 -12.464 18.279 1.00 4.31 C ATOM 2371 CE2 TYR X 166 -0.996 -11.767 16.119 1.00 8.02 C ATOM 2372 CZ TYR X 166 -1.520 -12.725 16.929 1.00 9.78 C ATOM 2373 OH TYR X 166 -1.784 -13.941 16.285 1.00 12.51 O ATOM 2374 HA TYR X 166 1.063 -7.917 19.576 1.00 0.00 H ATOM 2375 HB3 TYR X 166 -0.365 -8.200 17.569 1.00 0.00 H ATOM 2376 HB2 TYR X 166 -1.200 -8.513 19.108 1.00 0.00 H ATOM 2377 HD2 TYR X 166 -0.182 -9.845 15.932 1.00 0.00 H ATOM 2378 HE2 TYR X 166 -0.864 -11.977 15.058 1.00 0.00 H ATOM 2379 HE1 TYR X 166 -2.222 -13.220 18.923 1.00 0.00 H ATOM 2380 HD1 TYR X 166 -1.626 -10.965 19.820 1.00 0.00 H ATOM 2381 HH TYR X 166 -2.161 -14.583 16.937 1.00 0.00 H ATOM 2382 H TYR X 166 2.348 -10.210 18.198 1.00 0.00 H ATOM 2383 N ASN X 167 0.309 -9.727 21.363 1.00 12.30 N ATOM 2384 CA ASN X 167 0.180 -10.788 22.346 1.00 13.13 C ATOM 2385 C ASN X 167 -1.227 -10.770 22.940 1.00 14.30 C ATOM 2386 O ASN X 167 -1.570 -9.835 23.679 1.00 14.95 O ATOM 2387 CB ASN X 167 1.259 -10.604 23.402 1.00 11.99 C ATOM 2388 CG ASN X 167 1.223 -11.655 24.478 1.00 13.64 C ATOM 2389 OD1 ASN X 167 0.366 -12.573 24.511 1.00 11.00 O ATOM 2390 ND2 ASN X 167 2.154 -11.515 25.405 1.00 15.02 N ATOM 2391 HA ASN X 167 0.319 -11.766 21.886 1.00 0.00 H ATOM 2392 HB2 ASN X 167 2.232 -10.642 22.913 1.00 0.00 H ATOM 2393 HB3 ASN X 167 1.125 -9.627 23.867 1.00 0.00 H ATOM 2394 HD22 ASN X 167 2.843 -10.739 25.337 1.00 0.00 H ATOM 2395 HD21 ASN X 167 2.197 -12.180 26.203 1.00 0.00 H ATOM 2396 H ASN X 167 -0.058 -8.774 21.560 1.00 0.00 H ATOM 2397 N ASP X 167A -2.064 -11.747 22.588 1.00 15.30 N ATOM 2398 CA ASP X 167A -3.493 -11.749 23.069 1.00 16.96 C ATOM 2399 C ASP X 167A -3.657 -12.424 24.437 1.00 18.25 C ATOM 2400 O ASP X 167A -4.747 -12.409 25.025 1.00 18.29 O ATOM 2401 CB ASP X 167A -4.414 -12.494 22.118 1.00 16.96 C ATOM 2402 CG ASP X 167A -4.758 -11.717 20.894 1.00 17.60 C ATOM 2403 OD1 ASP X 167A -5.052 -12.390 19.906 1.00 20.95 O ATOM 2404 OD2 ASP X 167A -4.742 -10.470 20.885 1.00 17.21 O ATOM 2405 HA ASP X 167A -3.759 -10.694 23.130 1.00 0.00 H ATOM 2406 HB2 ASP X 167A -3.922 -13.418 21.814 1.00 0.00 H ATOM 2407 HB3 ASP X 167A -5.337 -12.732 22.647 1.00 0.00 H ATOM 2408 H ASP X 167A -1.727 -12.516 21.975 1.00 0.00 H ATOM 2409 N SER X 167B -2.583 -13.040 24.925 1.00 18.84 N ATOM 2410 CA SER X 167B -2.688 -13.786 26.162 1.00 20.94 C ATOM 2411 C SER X 167B -2.327 -12.947 27.420 1.00 20.74 C ATOM 2412 O SER X 167B -2.671 -13.346 28.559 1.00 21.71 O ATOM 2413 CB SER X 167B -1.943 -15.139 26.072 1.00 21.26 C ATOM 2414 OG SER X 167B -0.543 -14.953 26.167 1.00 24.56 O ATOM 2415 HA SER X 167B -3.742 -14.028 26.300 1.00 0.00 H ATOM 2416 HB2 SER X 167B -2.176 -15.612 25.118 1.00 0.00 H ATOM 2417 HB3 SER X 167B -2.274 -15.783 26.887 1.00 0.00 H ATOM 2418 HG SER X 167B -0.238 -14.371 25.426 1.00 0.00 H ATOM 2419 H SER X 167B -1.675 -12.986 24.422 1.00 0.00 H ATOM 2420 N ALA X 167C -1.747 -11.755 27.203 1.00 19.52 N ATOM 2421 CA ALA X 167C -1.399 -10.827 28.258 1.00 18.27 C ATOM 2422 C ALA X 167C -2.645 -10.234 28.941 1.00 18.42 C ATOM 2423 O ALA X 167C -3.728 -10.226 28.375 1.00 17.47 O ATOM 2424 CB ALA X 167C -0.508 -9.717 27.707 1.00 18.25 C ATOM 2425 HA ALA X 167C -0.850 -11.382 29.019 1.00 0.00 H ATOM 2426 HB1 ALA X 167C 0.403 -10.154 27.299 1.00 0.00 H ATOM 2427 HB2 ALA X 167C -1.040 -9.182 26.920 1.00 0.00 H ATOM 2428 HB3 ALA X 167C -0.253 -9.025 28.510 1.00 0.00 H ATOM 2429 H ALA X 167C -1.536 -11.483 26.221 1.00 0.00 H ATOM 2430 N ALA X 167D -2.476 -9.739 30.169 1.00 17.91 N ATOM 2431 CA ALA X 167D -3.531 -9.052 30.900 1.00 17.82 C ATOM 2432 C ALA X 167D -4.245 -8.007 30.056 1.00 17.29 C ATOM 2433 O ALA X 167D -5.484 -7.937 30.031 1.00 17.57 O ATOM 2434 CB ALA X 167D -2.942 -8.422 32.171 1.00 18.67 C ATOM 2435 HA ALA X 167D -4.286 -9.790 31.171 1.00 0.00 H ATOM 2436 HB1 ALA X 167D -2.513 -9.204 32.798 1.00 0.00 H ATOM 2437 HB2 ALA X 167D -2.165 -7.709 31.895 1.00 0.00 H ATOM 2438 HB3 ALA X 167D -3.731 -7.907 32.719 1.00 0.00 H ATOM 2439 H ALA X 167D -1.548 -9.849 30.625 1.00 0.00 H ATOM 2440 N VAL X 168 -3.466 -7.204 29.343 1.00 16.35 N ATOM 2441 CA VAL X 168 -4.028 -6.308 28.311 1.00 15.28 C ATOM 2442 C VAL X 168 -3.383 -6.679 26.964 1.00 14.80 C ATOM 2443 O VAL X 168 -2.148 -6.493 26.772 1.00 16.31 O ATOM 2444 CB VAL X 168 -3.854 -4.803 28.715 1.00 15.19 C ATOM 2445 CG1 VAL X 168 -4.383 -3.842 27.655 1.00 13.73 C ATOM 2446 CG2 VAL X 168 -4.595 -4.537 30.020 1.00 15.48 C ATOM 2447 HA VAL X 168 -5.106 -6.441 28.215 1.00 0.00 H ATOM 2448 HB VAL X 168 -2.784 -4.627 28.824 1.00 0.00 H ATOM 2449 HG11 VAL X 168 -3.844 -4.001 26.721 1.00 0.00 H ATOM 2450 HG12 VAL X 168 -5.446 -4.025 27.499 1.00 0.00 H ATOM 2451 HG13 VAL X 168 -4.235 -2.816 27.991 1.00 0.00 H ATOM 2452 HG21 VAL X 168 -5.654 -4.757 29.886 1.00 0.00 H ATOM 2453 HG22 VAL X 168 -4.186 -5.174 30.805 1.00 0.00 H ATOM 2454 HG23 VAL X 168 -4.473 -3.490 30.299 1.00 0.00 H ATOM 2455 H VAL X 168 -2.440 -7.205 29.514 1.00 0.00 H ATOM 2456 N PRO X 169 -4.172 -7.266 26.044 1.00 14.37 N ATOM 2457 CA PRO X 169 -3.649 -7.604 24.726 1.00 13.04 C ATOM 2458 C PRO X 169 -2.911 -6.417 24.109 1.00 11.43 C ATOM 2459 O PRO X 169 -3.340 -5.273 24.230 1.00 10.95 O ATOM 2460 CB PRO X 169 -4.928 -7.882 23.916 1.00 12.92 C ATOM 2461 CG PRO X 169 -5.843 -8.419 24.868 1.00 14.02 C ATOM 2462 CD PRO X 169 -5.621 -7.593 26.121 1.00 15.38 C ATOM 2463 HA PRO X 169 -2.942 -8.433 24.752 1.00 0.00 H ATOM 2464 HD3 PRO X 169 -6.230 -6.689 26.109 1.00 0.00 H ATOM 2465 HD2 PRO X 169 -5.847 -8.170 27.018 1.00 0.00 H ATOM 2466 HG3 PRO X 169 -5.629 -9.471 25.057 1.00 0.00 H ATOM 2467 HG2 PRO X 169 -6.869 -8.316 24.516 1.00 0.00 H ATOM 2468 HB2 PRO X 169 -5.318 -6.961 23.483 1.00 0.00 H ATOM 2469 HB3 PRO X 169 -4.732 -8.601 23.121 1.00 0.00 H ATOM 2470 N TYR X 170 -1.794 -6.659 23.448 1.00 10.27 N ATOM 2471 CA TYR X 170 -1.154 -5.548 22.836 1.00 10.12 C ATOM 2472 C TYR X 170 -0.619 -5.862 21.455 1.00 9.47 C ATOM 2473 O TYR X 170 -0.434 -7.061 21.084 1.00 9.69 O ATOM 2474 CB TYR X 170 -0.085 -4.941 23.762 1.00 10.55 C ATOM 2475 CG TYR X 170 0.978 -5.922 24.133 1.00 11.60 C ATOM 2476 CD1 TYR X 170 2.028 -6.241 23.246 1.00 14.81 C ATOM 2477 CD2 TYR X 170 0.921 -6.582 25.333 1.00 11.43 C ATOM 2478 CE1 TYR X 170 3.002 -7.183 23.598 1.00 14.62 C ATOM 2479 CE2 TYR X 170 1.861 -7.492 25.683 1.00 13.39 C ATOM 2480 CZ TYR X 170 2.900 -7.779 24.826 1.00 13.51 C ATOM 2481 OH TYR X 170 3.806 -8.678 25.241 1.00 12.64 O ATOM 2482 HA TYR X 170 -1.919 -4.787 22.682 1.00 0.00 H ATOM 2483 HB3 TYR X 170 -0.570 -4.590 24.673 1.00 0.00 H ATOM 2484 HB2 TYR X 170 0.381 -4.098 23.252 1.00 0.00 H ATOM 2485 HD2 TYR X 170 0.102 -6.370 26.020 1.00 0.00 H ATOM 2486 HE2 TYR X 170 1.795 -7.999 26.646 1.00 0.00 H ATOM 2487 HE1 TYR X 170 3.815 -7.434 22.917 1.00 0.00 H ATOM 2488 HD1 TYR X 170 2.081 -5.748 22.275 1.00 0.00 H ATOM 2489 HH TYR X 170 4.496 -8.796 24.541 1.00 0.00 H ATOM 2490 H TYR X 170 -1.401 -7.619 23.378 1.00 0.00 H ATOM 2491 N TRP X 171 -0.395 -4.774 20.710 1.00 7.45 N ATOM 2492 CA TRP X 171 0.404 -4.789 19.494 1.00 7.31 C ATOM 2493 C TRP X 171 1.867 -4.381 19.803 1.00 6.92 C ATOM 2494 O TRP X 171 2.154 -3.645 20.755 1.00 7.21 O ATOM 2495 CB TRP X 171 -0.133 -3.750 18.509 1.00 7.12 C ATOM 2496 CG TRP X 171 -1.473 -3.989 17.900 1.00 4.47 C ATOM 2497 CD1 TRP X 171 -2.624 -3.276 18.164 1.00 5.01 C ATOM 2498 CD2 TRP X 171 -1.816 -4.967 16.902 1.00 4.40 C ATOM 2499 NE1 TRP X 171 -3.653 -3.754 17.384 1.00 8.06 N ATOM 2500 CE2 TRP X 171 -3.196 -4.792 16.607 1.00 6.93 C ATOM 2501 CE3 TRP X 171 -1.099 -5.985 16.237 1.00 6.00 C ATOM 2502 CZ2 TRP X 171 -3.880 -5.597 15.672 1.00 6.17 C ATOM 2503 CZ3 TRP X 171 -1.762 -6.782 15.320 1.00 8.20 C ATOM 2504 CH2 TRP X 171 -3.170 -6.592 15.048 1.00 5.36 C ATOM 2505 HA TRP X 171 0.358 -5.797 19.081 1.00 0.00 H ATOM 2506 HB2 TRP X 171 -0.182 -2.798 19.037 1.00 0.00 H ATOM 2507 HB3 TRP X 171 0.586 -3.675 17.693 1.00 0.00 H ATOM 2508 HE1 TRP X 171 -4.626 -3.387 17.383 1.00 0.00 H ATOM 2509 HD1 TRP X 171 -2.706 -2.459 18.881 1.00 0.00 H ATOM 2510 HZ2 TRP X 171 -4.935 -5.434 15.453 1.00 0.00 H ATOM 2511 HH2 TRP X 171 -3.674 -7.248 14.338 1.00 0.00 H ATOM 2512 HZ3 TRP X 171 -1.215 -7.565 14.795 1.00 0.00 H ATOM 2513 HE3 TRP X 171 -0.040 -6.141 16.442 1.00 0.00 H ATOM 2514 H TRP X 171 -0.813 -3.872 21.015 1.00 0.00 H ATOM 2515 N ILE X 172 2.786 -4.866 18.992 1.00 6.44 N ATOM 2516 CA ILE X 172 4.195 -4.524 19.116 1.00 6.66 C ATOM 2517 C ILE X 172 4.515 -3.805 17.875 1.00 7.68 C ATOM 2518 O ILE X 172 4.251 -4.292 16.768 1.00 9.20 O ATOM 2519 CB ILE X 172 5.088 -5.778 19.234 1.00 7.68 C ATOM 2520 CG1 ILE X 172 4.595 -6.700 20.402 1.00 6.15 C ATOM 2521 CG2 ILE X 172 6.548 -5.387 19.387 1.00 5.96 C ATOM 2522 CD1 ILE X 172 5.342 -8.009 20.480 1.00 6.62 C ATOM 2523 HA ILE X 172 4.376 -3.936 20.016 1.00 0.00 H ATOM 2524 HB ILE X 172 5.006 -6.355 18.313 1.00 0.00 H ATOM 2525 HG12 ILE X 172 4.728 -6.168 21.344 1.00 0.00 H ATOM 2526 HG13 ILE X 172 3.536 -6.913 20.253 1.00 0.00 H ATOM 2527 HD11 ILE X 172 5.209 -8.558 19.548 1.00 0.00 H ATOM 2528 HD12 ILE X 172 6.402 -7.812 20.640 1.00 0.00 H ATOM 2529 HD13 ILE X 172 4.952 -8.600 21.309 1.00 0.00 H ATOM 2530 HG21 ILE X 172 6.862 -4.812 18.516 1.00 0.00 H ATOM 2531 HG22 ILE X 172 6.669 -4.783 20.286 1.00 0.00 H ATOM 2532 HG23 ILE X 172 7.157 -6.287 19.468 1.00 0.00 H ATOM 2533 H ILE X 172 2.493 -5.517 18.236 1.00 0.00 H ATOM 2534 N ILE X 173 5.046 -2.620 18.035 1.00 8.24 N ATOM 2535 CA ILE X 173 5.218 -1.698 16.938 1.00 9.33 C ATOM 2536 C ILE X 173 6.658 -1.160 16.906 1.00 9.28 C ATOM 2537 O ILE X 173 7.188 -0.654 17.911 1.00 10.93 O ATOM 2538 CB ILE X 173 4.190 -0.506 17.056 1.00 8.80 C ATOM 2539 CG1 ILE X 173 2.762 -0.974 16.747 1.00 9.48 C ATOM 2540 CG2 ILE X 173 4.581 0.672 16.203 1.00 8.81 C ATOM 2541 CD1 ILE X 173 1.765 0.105 16.861 1.00 8.36 C ATOM 2542 HA ILE X 173 5.028 -2.231 16.007 1.00 0.00 H ATOM 2543 HB ILE X 173 4.214 -0.165 18.091 1.00 0.00 H ATOM 2544 HG12 ILE X 173 2.737 -1.365 15.730 1.00 0.00 H ATOM 2545 HG13 ILE X 173 2.497 -1.767 17.446 1.00 0.00 H ATOM 2546 HD11 ILE X 173 1.772 0.499 17.877 1.00 0.00 H ATOM 2547 HD12 ILE X 173 2.012 0.902 16.159 1.00 0.00 H ATOM 2548 HD13 ILE X 173 0.776 -0.290 16.630 1.00 0.00 H ATOM 2549 HG21 ILE X 173 5.559 1.037 16.516 1.00 0.00 H ATOM 2550 HG22 ILE X 173 4.624 0.364 15.158 1.00 0.00 H ATOM 2551 HG23 ILE X 173 3.842 1.465 16.320 1.00 0.00 H ATOM 2552 H ILE X 173 5.355 -2.332 18.986 1.00 0.00 H ATOM 2553 N LYS X 174 7.264 -1.256 15.742 1.00 8.89 N ATOM 2554 CA LYS X 174 8.584 -0.739 15.505 1.00 9.15 C ATOM 2555 C LYS X 174 8.483 0.745 15.043 1.00 9.94 C ATOM 2556 O LYS X 174 7.778 1.115 14.067 1.00 9.03 O ATOM 2557 CB LYS X 174 9.343 -1.637 14.520 1.00 8.82 C ATOM 2558 CG LYS X 174 10.803 -1.204 14.297 1.00 10.45 C ATOM 2559 CD LYS X 174 11.406 -1.805 13.005 1.00 9.50 C ATOM 2560 CE LYS X 174 12.944 -1.548 12.961 1.00 7.91 C ATOM 2561 NZ LYS X 174 13.489 -2.229 11.774 1.00 6.70 N ATOM 2562 HA LYS X 174 9.166 -0.748 16.427 1.00 0.00 H ATOM 2563 HB2 LYS X 174 9.340 -2.656 14.908 1.00 0.00 H ATOM 2564 HB3 LYS X 174 8.825 -1.613 13.561 1.00 0.00 H ATOM 2565 HG2 LYS X 174 10.839 -0.117 14.228 1.00 0.00 H ATOM 2566 HG3 LYS X 174 11.400 -1.533 15.148 1.00 0.00 H ATOM 2567 HD2 LYS X 174 11.219 -2.879 12.985 1.00 0.00 H ATOM 2568 HD3 LYS X 174 10.937 -1.340 12.138 1.00 0.00 H ATOM 2569 HE2 LYS X 174 13.411 -1.945 13.862 1.00 0.00 H ATOM 2570 HE3 LYS X 174 13.138 -0.477 12.895 1.00 0.00 H ATOM 2571 HZ1 LYS X 174 13.298 -3.249 11.843 1.00 0.00 H ATOM 2572 HZ2 LYS X 174 13.037 -1.847 10.919 1.00 0.00 H ATOM 2573 HZ3 LYS X 174 14.516 -2.070 11.725 1.00 0.00 H ATOM 2574 H LYS X 174 6.766 -1.726 14.959 1.00 0.00 H ATOM 2575 N ASN X 175 9.119 1.626 15.810 1.00 9.80 N ATOM 2576 CA ASN X 175 9.066 3.037 15.460 1.00 9.88 C ATOM 2577 C ASN X 175 10.415 3.393 14.853 1.00 9.85 C ATOM 2578 O ASN X 175 11.321 2.555 14.847 1.00 10.46 O ATOM 2579 CB ASN X 175 8.705 3.866 16.705 1.00 10.13 C ATOM 2580 CG ASN X 175 8.241 5.293 16.385 1.00 9.23 C ATOM 2581 OD1 ASN X 175 8.117 6.108 17.288 1.00 11.69 O ATOM 2582 ND2 ASN X 175 7.959 5.581 15.136 1.00 4.29 N ATOM 2583 HA ASN X 175 8.291 3.259 14.727 1.00 0.00 H ATOM 2584 HB2 ASN X 175 7.903 3.355 17.238 1.00 0.00 H ATOM 2585 HB3 ASN X 175 9.585 3.926 17.346 1.00 0.00 H ATOM 2586 HD22 ASN X 175 8.078 4.860 14.396 1.00 0.00 H ATOM 2587 HD21 ASN X 175 7.617 6.531 14.886 1.00 0.00 H ATOM 2588 H ASN X 175 9.647 1.310 16.649 1.00 0.00 H ATOM 2589 N SER X 176 10.544 4.617 14.350 1.00 10.40 N ATOM 2590 CA SER X 176 11.764 5.071 13.664 1.00 11.41 C ATOM 2591 C SER X 176 12.388 6.365 14.278 1.00 11.35 C ATOM 2592 O SER X 176 12.854 7.275 13.543 1.00 11.01 O ATOM 2593 CB SER X 176 11.411 5.286 12.191 1.00 10.24 C ATOM 2594 OG SER X 176 10.264 6.120 12.173 1.00 11.60 O ATOM 2595 HA SER X 176 12.530 4.305 13.784 1.00 0.00 H ATOM 2596 HB2 SER X 176 11.191 4.332 11.712 1.00 0.00 H ATOM 2597 HB3 SER X 176 12.238 5.770 11.671 1.00 0.00 H ATOM 2598 HG SER X 176 10.475 6.979 12.617 1.00 0.00 H ATOM 2599 H SER X 176 9.749 5.281 14.445 1.00 0.00 H ATOM 2600 N TRP X 177 12.388 6.423 15.616 1.00 12.46 N ATOM 2601 CA TRP X 177 12.879 7.587 16.421 1.00 12.46 C ATOM 2602 C TRP X 177 14.042 7.154 17.283 1.00 13.19 C ATOM 2603 O TRP X 177 14.144 7.622 18.438 1.00 14.07 O ATOM 2604 CB TRP X 177 11.753 8.101 17.366 1.00 11.69 C ATOM 2605 CG TRP X 177 10.569 8.655 16.611 1.00 10.90 C ATOM 2606 CD1 TRP X 177 10.528 8.917 15.270 1.00 10.72 C ATOM 2607 CD2 TRP X 177 9.275 9.045 17.132 1.00 8.86 C ATOM 2608 NE1 TRP X 177 9.292 9.393 14.918 1.00 10.37 N ATOM 2609 CE2 TRP X 177 8.510 9.505 16.032 1.00 8.80 C ATOM 2610 CE3 TRP X 177 8.701 9.056 18.407 1.00 7.08 C ATOM 2611 CZ2 TRP X 177 7.201 9.971 16.162 1.00 9.78 C ATOM 2612 CZ3 TRP X 177 7.407 9.520 18.542 1.00 11.41 C ATOM 2613 CH2 TRP X 177 6.657 9.973 17.423 1.00 10.89 C ATOM 2614 HA TRP X 177 13.181 8.376 15.733 1.00 0.00 H ATOM 2615 HB2 TRP X 177 11.414 7.273 17.988 1.00 0.00 H ATOM 2616 HB3 TRP X 177 12.162 8.887 18.001 1.00 0.00 H ATOM 2617 HE1 TRP X 177 8.995 9.632 13.950 1.00 0.00 H ATOM 2618 HD1 TRP X 177 11.359 8.769 14.580 1.00 0.00 H ATOM 2619 HZ2 TRP X 177 6.634 10.319 15.299 1.00 0.00 H ATOM 2620 HH2 TRP X 177 5.636 10.327 17.568 1.00 0.00 H ATOM 2621 HZ3 TRP X 177 6.950 9.539 19.531 1.00 0.00 H ATOM 2622 HE3 TRP X 177 9.262 8.707 19.274 1.00 0.00 H ATOM 2623 H TRP X 177 12.020 5.600 16.134 1.00 0.00 H ATOM 2624 N THR X 178 14.890 6.245 16.772 1.00 12.62 N ATOM 2625 CA THR X 178 16.044 5.677 17.530 1.00 13.50 C ATOM 2626 C THR X 178 15.653 4.732 18.655 1.00 13.34 C ATOM 2627 O THR X 178 14.458 4.557 18.936 1.00 13.33 O ATOM 2628 CB THR X 178 17.052 6.737 18.118 1.00 13.02 C ATOM 2629 OG1 THR X 178 16.459 7.362 19.253 1.00 15.78 O ATOM 2630 CG2 THR X 178 17.382 7.786 17.132 1.00 13.53 C ATOM 2631 HA THR X 178 16.551 5.117 16.744 1.00 0.00 H ATOM 2632 HB THR X 178 17.969 6.212 18.387 1.00 0.00 H ATOM 2633 HG1 THR X 178 15.621 7.813 18.980 1.00 0.00 H ATOM 2634 HG23 THR X 178 17.838 7.328 16.254 1.00 0.00 H ATOM 2635 HG21 THR X 178 16.471 8.307 16.839 1.00 0.00 H ATOM 2636 HG22 THR X 178 18.080 8.495 17.577 1.00 0.00 H ATOM 2637 H THR X 178 14.734 5.920 15.797 1.00 0.00 H ATOM 2638 N THR X 179 16.672 4.081 19.242 1.00 12.65 N ATOM 2639 CA THR X 179 16.481 3.118 20.326 1.00 12.48 C ATOM 2640 C THR X 179 16.366 3.848 21.658 1.00 13.25 C ATOM 2641 O THR X 179 15.998 3.255 22.670 1.00 13.72 O ATOM 2642 CB THR X 179 17.618 2.004 20.376 1.00 11.87 C ATOM 2643 OG1 THR X 179 18.894 2.607 20.502 1.00 12.76 O ATOM 2644 CG2 THR X 179 17.659 1.184 19.142 1.00 11.23 C ATOM 2645 HA THR X 179 15.550 2.587 20.127 1.00 0.00 H ATOM 2646 HB THR X 179 17.381 1.372 21.232 1.00 0.00 H ATOM 2647 HG1 THR X 179 19.589 1.903 20.532 1.00 0.00 H ATOM 2648 HG23 THR X 179 16.695 0.696 18.999 1.00 0.00 H ATOM 2649 HG21 THR X 179 17.873 1.826 18.288 1.00 0.00 H ATOM 2650 HG22 THR X 179 18.440 0.429 19.235 1.00 0.00 H ATOM 2651 H THR X 179 17.639 4.271 18.911 1.00 0.00 H ATOM 2652 N GLN X 180 16.678 5.146 21.650 1.00 14.43 N ATOM 2653 CA GLN X 180 16.531 6.028 22.829 1.00 14.97 C ATOM 2654 C GLN X 180 15.076 6.198 23.246 1.00 14.12 C ATOM 2655 O GLN X 180 14.776 6.514 24.392 1.00 14.80 O ATOM 2656 CB GLN X 180 17.037 7.428 22.516 1.00 15.94 C ATOM 2657 CG GLN X 180 18.560 7.615 22.479 1.00 18.98 C ATOM 2658 CD GLN X 180 18.871 9.092 22.266 1.00 22.90 C ATOM 2659 OE1 GLN X 180 19.079 9.535 21.127 1.00 28.97 O ATOM 2660 NE2 GLN X 180 18.821 9.876 23.337 1.00 18.07 N ATOM 2661 HA GLN X 180 17.103 5.552 23.625 1.00 0.00 H ATOM 2662 HB2 GLN X 180 16.645 7.711 21.539 1.00 0.00 H ATOM 2663 HB3 GLN X 180 16.639 8.101 23.275 1.00 0.00 H ATOM 2664 HG2 GLN X 180 18.993 7.282 23.422 1.00 0.00 H ATOM 2665 HG3 GLN X 180 18.981 7.030 21.661 1.00 0.00 H ATOM 2666 HE22 GLN X 180 18.644 9.464 24.275 1.00 0.00 H ATOM 2667 HE21 GLN X 180 18.959 10.902 23.237 1.00 0.00 H ATOM 2668 H GLN X 180 17.044 5.559 20.768 1.00 0.00 H ATOM 2669 N TRP X 181 14.169 6.031 22.312 1.00 13.00 N ATOM 2670 CA TRP X 181 12.753 6.243 22.582 1.00 11.61 C ATOM 2671 C TRP X 181 11.991 4.922 22.868 1.00 12.20 C ATOM 2672 O TRP X 181 12.232 3.915 22.211 1.00 12.01 O ATOM 2673 CB TRP X 181 12.131 6.978 21.390 1.00 9.92 C ATOM 2674 CG TRP X 181 10.670 7.192 21.509 1.00 7.36 C ATOM 2675 CD1 TRP X 181 10.051 8.301 21.999 1.00 6.95 C ATOM 2676 CD2 TRP X 181 9.626 6.283 21.116 1.00 6.15 C ATOM 2677 NE1 TRP X 181 8.671 8.137 21.944 1.00 5.93 N ATOM 2678 CE2 TRP X 181 8.396 6.912 21.383 1.00 7.28 C ATOM 2679 CE3 TRP X 181 9.608 5.008 20.539 1.00 6.26 C ATOM 2680 CZ2 TRP X 181 7.149 6.289 21.089 1.00 8.50 C ATOM 2681 CZ3 TRP X 181 8.348 4.390 20.279 1.00 5.70 C ATOM 2682 CH2 TRP X 181 7.172 5.027 20.532 1.00 4.60 C ATOM 2683 HA TRP X 181 12.666 6.844 23.487 1.00 0.00 H ATOM 2684 HB2 TRP X 181 12.614 7.951 21.297 1.00 0.00 H ATOM 2685 HB3 TRP X 181 12.320 6.393 20.490 1.00 0.00 H ATOM 2686 HE1 TRP X 181 7.965 8.826 22.272 1.00 0.00 H ATOM 2687 HD1 TRP X 181 10.561 9.186 22.378 1.00 0.00 H ATOM 2688 HZ2 TRP X 181 6.206 6.794 21.298 1.00 0.00 H ATOM 2689 HH2 TRP X 181 6.232 4.531 20.290 1.00 0.00 H ATOM 2690 HZ3 TRP X 181 8.327 3.381 19.867 1.00 0.00 H ATOM 2691 HE3 TRP X 181 10.539 4.497 20.293 1.00 0.00 H ATOM 2692 H TRP X 181 14.467 5.741 21.359 1.00 0.00 H ATOM 2693 N GLY X 182 11.100 4.955 23.874 1.00 12.87 N ATOM 2694 CA GLY X 182 10.136 3.925 24.167 1.00 13.68 C ATOM 2695 C GLY X 182 10.863 2.673 24.606 1.00 15.07 C ATOM 2696 O GLY X 182 11.908 2.775 25.221 1.00 15.58 O ATOM 2697 HA3 GLY X 182 9.548 3.711 23.275 1.00 0.00 H ATOM 2698 HA2 GLY X 182 9.474 4.261 24.965 1.00 0.00 H ATOM 2699 H GLY X 182 11.107 5.792 24.491 1.00 0.00 H ATOM 2700 N GLU X 183 10.360 1.491 24.233 1.00 15.12 N ATOM 2701 CA GLU X 183 11.031 0.248 24.627 1.00 14.71 C ATOM 2702 C GLU X 183 12.124 -0.139 23.654 1.00 14.76 C ATOM 2703 O GLU X 183 11.996 -1.093 22.881 1.00 13.54 O ATOM 2704 CB GLU X 183 10.023 -0.864 24.820 1.00 14.15 C ATOM 2705 CG GLU X 183 9.161 -0.570 25.985 1.00 15.21 C ATOM 2706 CD GLU X 183 8.093 -1.578 26.193 1.00 20.40 C ATOM 2707 OE1 GLU X 183 7.937 -2.491 25.340 1.00 22.07 O ATOM 2708 OE2 GLU X 183 7.389 -1.447 27.219 1.00 22.45 O ATOM 2709 HA GLU X 183 11.522 0.423 25.585 1.00 0.00 H ATOM 2710 HB2 GLU X 183 9.405 -0.950 23.926 1.00 0.00 H ATOM 2711 HB3 GLU X 183 10.550 -1.803 24.988 1.00 0.00 H ATOM 2712 HG2 GLU X 183 9.785 -0.537 26.878 1.00 0.00 H ATOM 2713 HG3 GLU X 183 8.694 0.403 25.834 1.00 0.00 H ATOM 2714 H GLU X 183 9.491 1.453 23.662 1.00 0.00 H ATOM 2715 N GLU X 184 13.225 0.599 23.718 1.00 14.71 N ATOM 2716 CA GLU X 184 14.344 0.302 22.868 1.00 15.80 C ATOM 2717 C GLU X 184 13.998 0.565 21.379 1.00 12.56 C ATOM 2718 O GLU X 184 14.392 -0.151 20.460 1.00 12.46 O ATOM 2719 CB GLU X 184 14.837 -1.130 23.175 1.00 15.22 C ATOM 2720 CG GLU X 184 15.939 -1.167 24.221 1.00 20.86 C ATOM 2721 CD GLU X 184 16.581 -2.568 24.283 1.00 22.80 C ATOM 2722 OE1 GLU X 184 15.980 -3.504 24.893 1.00 28.31 O ATOM 2723 OE2 GLU X 184 17.681 -2.748 23.682 1.00 29.88 O ATOM 2724 HA GLU X 184 15.177 0.973 23.075 1.00 0.00 H ATOM 2725 HB2 GLU X 184 13.994 -1.718 23.537 1.00 0.00 H ATOM 2726 HB3 GLU X 184 15.217 -1.572 22.254 1.00 0.00 H ATOM 2727 HG2 GLU X 184 16.703 -0.434 23.963 1.00 0.00 H ATOM 2728 HG3 GLU X 184 15.517 -0.923 25.196 1.00 0.00 H ATOM 2729 H GLU X 184 13.278 1.395 24.386 1.00 0.00 H ATOM 2730 N GLY X 185 13.285 1.651 21.170 1.00 11.87 N ATOM 2731 CA GLY X 185 12.731 2.001 19.878 1.00 10.17 C ATOM 2732 C GLY X 185 11.368 1.404 19.519 1.00 9.32 C ATOM 2733 O GLY X 185 10.863 1.732 18.445 1.00 9.81 O ATOM 2734 HA3 GLY X 185 13.442 1.678 19.117 1.00 0.00 H ATOM 2735 HA2 GLY X 185 12.633 3.086 19.845 1.00 0.00 H ATOM 2736 H GLY X 185 13.111 2.290 21.972 1.00 0.00 H ATOM 2737 N TYR X 186 10.774 0.570 20.380 1.00 7.38 N ATOM 2738 CA TYR X 186 9.418 -0.002 20.175 1.00 7.26 C ATOM 2739 C TYR X 186 8.317 0.612 21.022 1.00 7.56 C ATOM 2740 O TYR X 186 8.590 1.273 22.005 1.00 7.54 O ATOM 2741 CB TYR X 186 9.419 -1.511 20.422 1.00 6.54 C ATOM 2742 CG TYR X 186 10.134 -2.223 19.326 1.00 5.40 C ATOM 2743 CD1 TYR X 186 9.417 -2.847 18.330 1.00 2.40 C ATOM 2744 CD2 TYR X 186 11.539 -2.234 19.251 1.00 5.80 C ATOM 2745 CE1 TYR X 186 10.036 -3.461 17.279 1.00 2.69 C ATOM 2746 CE2 TYR X 186 12.205 -2.876 18.170 1.00 6.00 C ATOM 2747 CZ TYR X 186 11.413 -3.497 17.187 1.00 5.77 C ATOM 2748 OH TYR X 186 11.938 -4.185 16.109 1.00 6.42 O ATOM 2749 HA TYR X 186 9.190 0.237 19.136 1.00 0.00 H ATOM 2750 HB3 TYR X 186 8.390 -1.867 20.469 1.00 0.00 H ATOM 2751 HB2 TYR X 186 9.917 -1.719 21.369 1.00 0.00 H ATOM 2752 HD2 TYR X 186 12.124 -1.745 20.030 1.00 0.00 H ATOM 2753 HE2 TYR X 186 13.293 -2.886 18.106 1.00 0.00 H ATOM 2754 HE1 TYR X 186 9.434 -3.930 16.501 1.00 0.00 H ATOM 2755 HD1 TYR X 186 8.328 -2.851 18.382 1.00 0.00 H ATOM 2756 HH TYR X 186 12.491 -4.937 16.437 1.00 0.00 H ATOM 2757 H TYR X 186 11.291 0.307 21.243 1.00 0.00 H ATOM 2758 N ILE X 187 7.060 0.406 20.620 1.00 8.10 N ATOM 2759 CA ILE X 187 5.924 0.779 21.486 1.00 8.28 C ATOM 2760 C ILE X 187 4.941 -0.339 21.493 1.00 8.82 C ATOM 2761 O ILE X 187 4.817 -1.080 20.480 1.00 9.76 O ATOM 2762 CB ILE X 187 5.207 2.093 21.012 1.00 8.78 C ATOM 2763 CG1 ILE X 187 3.961 2.389 21.833 1.00 8.20 C ATOM 2764 CG2 ILE X 187 4.906 2.107 19.488 1.00 7.13 C ATOM 2765 CD1 ILE X 187 3.471 3.834 21.712 1.00 8.97 C ATOM 2766 HA ILE X 187 6.317 0.968 22.485 1.00 0.00 H ATOM 2767 HB ILE X 187 5.917 2.901 21.190 1.00 0.00 H ATOM 2768 HG12 ILE X 187 3.163 1.726 21.499 1.00 0.00 H ATOM 2769 HG13 ILE X 187 4.184 2.188 22.881 1.00 0.00 H ATOM 2770 HD11 ILE X 187 4.253 4.511 22.054 1.00 0.00 H ATOM 2771 HD12 ILE X 187 3.232 4.049 20.671 1.00 0.00 H ATOM 2772 HD13 ILE X 187 2.580 3.967 22.326 1.00 0.00 H ATOM 2773 HG21 ILE X 187 5.841 2.022 18.934 1.00 0.00 H ATOM 2774 HG22 ILE X 187 4.257 1.268 19.239 1.00 0.00 H ATOM 2775 HG23 ILE X 187 4.410 3.042 19.225 1.00 0.00 H ATOM 2776 H ILE X 187 6.880 -0.021 19.689 1.00 0.00 H ATOM 2777 N ARG X 188 4.255 -0.491 22.617 1.00 7.56 N ATOM 2778 CA ARG X 188 3.191 -1.464 22.734 1.00 8.50 C ATOM 2779 C ARG X 188 1.902 -0.750 23.058 1.00 8.93 C ATOM 2780 O ARG X 188 1.861 0.059 23.968 1.00 8.04 O ATOM 2781 CB ARG X 188 3.537 -2.500 23.808 1.00 8.58 C ATOM 2782 CG ARG X 188 4.725 -3.396 23.377 1.00 10.54 C ATOM 2783 CD ARG X 188 5.611 -3.673 24.510 1.00 15.54 C ATOM 2784 NE ARG X 188 4.935 -4.519 25.452 1.00 19.01 N ATOM 2785 CZ ARG X 188 5.094 -4.509 26.781 1.00 17.32 C ATOM 2786 NH1 ARG X 188 5.914 -3.688 27.427 1.00 12.25 N ATOM 2787 NH2 ARG X 188 4.392 -5.363 27.471 1.00 16.05 N ATOM 2788 HA ARG X 188 3.070 -1.995 21.790 1.00 0.00 H ATOM 2789 HB2 ARG X 188 3.802 -1.980 24.729 1.00 0.00 H ATOM 2790 HB3 ARG X 188 2.665 -3.130 23.986 1.00 0.00 H ATOM 2791 HG2 ARG X 188 4.339 -4.338 22.988 1.00 0.00 H ATOM 2792 HG3 ARG X 188 5.291 -2.887 22.597 1.00 0.00 H ATOM 2793 HD2 ARG X 188 5.885 -2.736 24.995 1.00 0.00 H ATOM 2794 HD3 ARG X 188 6.511 -4.173 24.153 1.00 0.00 H ATOM 2795 HE ARG X 188 4.257 -5.206 25.065 1.00 0.00 H ATOM 2796 HH12 ARG X 188 5.988 -3.736 28.463 1.00 0.00 H ATOM 2797 HH11 ARG X 188 6.483 -2.997 26.897 1.00 0.00 H ATOM 2798 HH22 ARG X 188 4.481 -5.393 28.507 1.00 0.00 H ATOM 2799 HH21 ARG X 188 3.742 -6.014 26.986 1.00 0.00 H ATOM 2800 H ARG X 188 4.488 0.105 23.437 1.00 0.00 H ATOM 2801 N ILE X 189 0.840 -1.051 22.314 1.00 9.81 N ATOM 2802 CA ILE X 189 -0.427 -0.318 22.434 1.00 9.69 C ATOM 2803 C ILE X 189 -1.480 -1.348 22.540 1.00 10.24 C ATOM 2804 O ILE X 189 -1.317 -2.404 21.994 1.00 11.35 O ATOM 2805 CB ILE X 189 -0.701 0.611 21.204 1.00 11.17 C ATOM 2806 CG1 ILE X 189 -0.806 -0.179 19.887 1.00 6.04 C ATOM 2807 CG2 ILE X 189 0.362 1.726 21.094 1.00 9.13 C ATOM 2808 CD1 ILE X 189 -1.529 0.597 18.818 1.00 2.54 C ATOM 2809 HA ILE X 189 -0.399 0.340 23.302 1.00 0.00 H ATOM 2810 HB ILE X 189 -1.670 1.080 21.376 1.00 0.00 H ATOM 2811 HG12 ILE X 189 0.199 -0.411 19.535 1.00 0.00 H ATOM 2812 HG13 ILE X 189 -1.347 -1.107 20.075 1.00 0.00 H ATOM 2813 HD11 ILE X 189 -2.539 0.827 19.158 1.00 0.00 H ATOM 2814 HD12 ILE X 189 -0.991 1.524 18.617 1.00 0.00 H ATOM 2815 HD13 ILE X 189 -1.578 -0.000 17.908 1.00 0.00 H ATOM 2816 HG21 ILE X 189 0.344 2.334 21.999 1.00 0.00 H ATOM 2817 HG22 ILE X 189 1.348 1.276 20.976 1.00 0.00 H ATOM 2818 HG23 ILE X 189 0.142 2.352 20.230 1.00 0.00 H ATOM 2819 H ILE X 189 0.910 -1.829 21.627 1.00 0.00 H ATOM 2820 N ALA X 190 -2.543 -1.075 23.284 1.00 11.29 N ATOM 2821 CA ALA X 190 -3.589 -2.064 23.529 1.00 11.66 C ATOM 2822 C ALA X 190 -4.262 -2.400 22.231 1.00 11.80 C ATOM 2823 O ALA X 190 -4.521 -1.512 21.403 1.00 10.94 O ATOM 2824 CB ALA X 190 -4.606 -1.587 24.576 1.00 11.44 C ATOM 2825 HA ALA X 190 -3.126 -2.961 23.941 1.00 0.00 H ATOM 2826 HB1 ALA X 190 -4.093 -1.396 25.518 1.00 0.00 H ATOM 2827 HB2 ALA X 190 -5.081 -0.670 24.227 1.00 0.00 H ATOM 2828 HB3 ALA X 190 -5.363 -2.357 24.723 1.00 0.00 H ATOM 2829 H ALA X 190 -2.634 -0.129 23.705 1.00 0.00 H ATOM 2830 N LYS X 191 -4.474 -3.707 22.064 1.00 12.04 N ATOM 2831 CA LYS X 191 -5.149 -4.340 20.920 1.00 13.00 C ATOM 2832 C LYS X 191 -6.660 -4.583 21.188 1.00 13.52 C ATOM 2833 O LYS X 191 -7.033 -5.056 22.253 1.00 13.54 O ATOM 2834 CB LYS X 191 -4.435 -5.660 20.660 1.00 12.52 C ATOM 2835 CG LYS X 191 -4.957 -6.438 19.496 1.00 13.33 C ATOM 2836 CD LYS X 191 -3.914 -7.484 19.074 1.00 9.67 C ATOM 2837 CE LYS X 191 -4.502 -8.485 18.133 1.00 10.32 C ATOM 2838 NZ LYS X 191 -5.619 -9.201 18.768 1.00 10.13 N ATOM 2839 HA LYS X 191 -5.099 -3.681 20.053 1.00 0.00 H ATOM 2840 HB2 LYS X 191 -3.382 -5.446 20.480 1.00 0.00 H ATOM 2841 HB3 LYS X 191 -4.531 -6.279 21.552 1.00 0.00 H ATOM 2842 HG2 LYS X 191 -5.882 -6.940 19.779 1.00 0.00 H ATOM 2843 HG3 LYS X 191 -5.152 -5.762 18.664 1.00 0.00 H ATOM 2844 HD2 LYS X 191 -3.083 -6.979 18.582 1.00 0.00 H ATOM 2845 HD3 LYS X 191 -3.550 -8.001 19.962 1.00 0.00 H ATOM 2846 HE2 LYS X 191 -3.733 -9.203 17.847 1.00 0.00 H ATOM 2847 HE3 LYS X 191 -4.866 -7.970 17.244 1.00 0.00 H ATOM 2848 HZ1 LYS X 191 -5.275 -9.697 19.615 1.00 0.00 H ATOM 2849 HZ2 LYS X 191 -6.356 -8.520 19.039 1.00 0.00 H ATOM 2850 HZ3 LYS X 191 -6.013 -9.891 18.097 1.00 0.00 H ATOM 2851 H LYS X 191 -4.129 -4.339 22.815 1.00 0.00 H ATOM 2852 N GLY X 192 -7.520 -4.253 20.234 1.00 14.29 N ATOM 2853 CA GLY X 192 -8.976 -4.528 20.360 1.00 14.63 C ATOM 2854 C GLY X 192 -9.943 -3.320 20.451 1.00 15.66 C ATOM 2855 O GLY X 192 -11.153 -3.465 20.281 1.00 14.90 O ATOM 2856 HA3 GLY X 192 -9.116 -5.124 21.262 1.00 0.00 H ATOM 2857 HA2 GLY X 192 -9.271 -5.114 19.490 1.00 0.00 H ATOM 2858 H GLY X 192 -7.166 -3.789 19.373 1.00 0.00 H ATOM 2859 N SER X 193 -9.240 -1.900 20.436 1.00 15.91 N ATOM 2860 CA SER X 193 -10.093 -0.809 20.856 1.00 15.60 C ATOM 2861 C SER X 193 -9.812 0.373 19.930 1.00 15.94 C ATOM 2862 O SER X 193 -10.018 1.543 20.251 1.00 15.67 O ATOM 2863 CB SER X 193 -9.828 -0.486 22.312 1.00 15.08 C ATOM 2864 OG SER X 193 -8.473 -0.125 22.480 1.00 16.50 O ATOM 2865 HA SER X 193 -11.149 -1.069 20.784 1.00 0.00 H ATOM 2866 HB2 SER X 193 -10.049 -1.361 22.924 1.00 0.00 H ATOM 2867 HB3 SER X 193 -10.465 0.342 22.622 1.00 0.00 H ATOM 2868 HG SER X 193 -8.273 0.670 21.925 1.00 0.00 H ATOM 2869 H SER X 193 -8.250 -1.764 20.149 1.00 0.00 H ATOM 2870 N ASN X 198 -8.911 -0.090 18.759 1.00 12.76 N ATOM 2871 CA ASN X 198 -8.447 0.832 17.755 1.00 13.36 C ATOM 2872 C ASN X 198 -7.584 1.908 18.364 1.00 13.31 C ATOM 2873 O ASN X 198 -7.735 3.084 18.059 1.00 14.98 O ATOM 2874 CB ASN X 198 -9.642 1.463 17.038 1.00 13.66 C ATOM 2875 CG ASN X 198 -9.278 1.933 15.674 1.00 12.74 C ATOM 2876 OD1 ASN X 198 -8.230 1.535 15.140 1.00 14.28 O ATOM 2877 ND2 ASN X 198 -10.103 2.787 15.094 1.00 11.26 N ATOM 2878 HA ASN X 198 -7.843 0.279 17.035 1.00 0.00 H ATOM 2879 HB2 ASN X 198 -10.437 0.722 16.956 1.00 0.00 H ATOM 2880 HB3 ASN X 198 -9.997 2.312 17.622 1.00 0.00 H ATOM 2881 HD22 ASN X 198 -10.969 3.089 15.585 1.00 0.00 H ATOM 2882 HD21 ASN X 198 -9.887 3.157 14.147 1.00 0.00 H ATOM 2883 H ASN X 198 -8.634 -1.091 18.696 1.00 0.00 H ATOM 2884 N GLN X 199 -6.658 1.514 19.222 1.00 13.70 N ATOM 2885 CA GLN X 199 -5.795 2.491 19.875 1.00 13.69 C ATOM 2886 C GLN X 199 -4.995 3.161 18.788 1.00 13.17 C ATOM 2887 O GLN X 199 -4.412 2.457 17.965 1.00 13.35 O ATOM 2888 CB GLN X 199 -4.881 1.836 20.916 1.00 12.95 C ATOM 2889 CG GLN X 199 -5.580 1.413 22.211 1.00 15.67 C ATOM 2890 CD GLN X 199 -6.555 2.462 22.778 1.00 19.62 C ATOM 2891 OE1 GLN X 199 -7.712 2.148 23.060 1.00 22.41 O ATOM 2892 NE2 GLN X 199 -6.093 3.686 22.948 1.00 17.62 N ATOM 2893 HA GLN X 199 -6.393 3.220 20.422 1.00 0.00 H ATOM 2894 HB2 GLN X 199 -4.435 0.949 20.466 1.00 0.00 H ATOM 2895 HB3 GLN X 199 -4.095 2.546 21.172 1.00 0.00 H ATOM 2896 HG2 GLN X 199 -6.139 0.498 22.014 1.00 0.00 H ATOM 2897 HG3 GLN X 199 -4.816 1.216 22.963 1.00 0.00 H ATOM 2898 HE22 GLN X 199 -5.109 3.910 22.697 1.00 0.00 H ATOM 2899 HE21 GLN X 199 -6.713 4.427 23.333 1.00 0.00 H ATOM 2900 H GLN X 199 -6.545 0.502 19.432 1.00 0.00 H ATOM 2901 N CYS X 200 -5.038 4.503 18.741 1.00 12.39 N ATOM 2902 CA CYS X 200 -4.193 5.307 17.858 1.00 11.23 C ATOM 2903 C CYS X 200 -4.578 5.158 16.407 1.00 11.51 C ATOM 2904 O CYS X 200 -3.782 5.471 15.518 1.00 11.27 O ATOM 2905 CB CYS X 200 -2.722 4.905 17.979 1.00 11.87 C ATOM 2906 SG CYS X 200 -2.033 4.642 19.576 1.00 12.33 S ATOM 2907 HA CYS X 200 -4.339 6.340 18.174 1.00 0.00 H ATOM 2908 HB2 CYS X 200 -2.136 5.693 17.505 1.00 0.00 H ATOM 2909 HB3 CYS X 200 -2.598 3.976 17.422 1.00 0.00 H ATOM 2910 H CYS X 200 -5.707 4.996 19.365 1.00 0.00 H ATOM 2911 N LEU X 201 -5.788 4.649 16.187 1.00 11.79 N ATOM 2912 CA LEU X 201 -6.381 4.383 14.860 1.00 12.80 C ATOM 2913 C LEU X 201 -5.617 3.355 14.030 1.00 12.64 C ATOM 2914 O LEU X 201 -5.646 3.446 12.810 1.00 13.15 O ATOM 2915 CB LEU X 201 -6.641 5.666 14.035 1.00 12.78 C ATOM 2916 CG LEU X 201 -7.364 6.785 14.803 1.00 12.94 C ATOM 2917 CD1 LEU X 201 -7.308 8.090 14.030 1.00 12.82 C ATOM 2918 CD2 LEU X 201 -8.813 6.376 15.147 1.00 13.01 C ATOM 2919 HA LEU X 201 -7.349 3.940 15.096 1.00 0.00 H ATOM 2920 HB2 LEU X 201 -5.680 6.052 13.695 1.00 0.00 H ATOM 2921 HB3 LEU X 201 -7.250 5.398 13.171 1.00 0.00 H ATOM 2922 HG LEU X 201 -6.845 6.945 15.748 1.00 0.00 H ATOM 2923 HD21 LEU X 201 -9.360 6.174 14.226 1.00 0.00 H ATOM 2924 HD22 LEU X 201 -8.799 5.480 15.767 1.00 0.00 H ATOM 2925 HD23 LEU X 201 -9.299 7.187 15.690 1.00 0.00 H ATOM 2926 HD11 LEU X 201 -6.267 8.379 13.882 1.00 0.00 H ATOM 2927 HD12 LEU X 201 -7.791 7.958 13.062 1.00 0.00 H ATOM 2928 HD13 LEU X 201 -7.826 8.867 14.593 1.00 0.00 H ATOM 2929 H LEU X 201 -6.366 4.419 17.021 1.00 0.00 H ATOM 2930 N VAL X 202 -5.010 2.372 14.716 1.00 12.82 N ATOM 2931 CA VAL X 202 -4.099 1.354 14.163 1.00 12.00 C ATOM 2932 C VAL X 202 -4.732 0.471 13.076 1.00 13.01 C ATOM 2933 O VAL X 202 -4.045 0.095 12.122 1.00 14.20 O ATOM 2934 CB VAL X 202 -3.451 0.505 15.303 1.00 12.57 C ATOM 2935 CG1 VAL X 202 -4.469 -0.345 16.045 1.00 10.16 C ATOM 2936 CG2 VAL X 202 -2.295 -0.348 14.770 1.00 12.18 C ATOM 2937 HA VAL X 202 -3.308 1.903 13.652 1.00 0.00 H ATOM 2938 HB VAL X 202 -3.044 1.210 16.028 1.00 0.00 H ATOM 2939 HG11 VAL X 202 -5.222 0.302 16.494 1.00 0.00 H ATOM 2940 HG12 VAL X 202 -4.947 -1.030 15.345 1.00 0.00 H ATOM 2941 HG13 VAL X 202 -3.965 -0.914 16.826 1.00 0.00 H ATOM 2942 HG21 VAL X 202 -2.669 -1.024 14.001 1.00 0.00 H ATOM 2943 HG22 VAL X 202 -1.532 0.303 14.343 1.00 0.00 H ATOM 2944 HG23 VAL X 202 -1.865 -0.927 15.588 1.00 0.00 H ATOM 2945 H VAL X 202 -5.202 2.325 15.737 1.00 0.00 H ATOM 2946 N LYS X 203 -6.048 0.237 13.161 1.00 12.73 N ATOM 2947 CA LYS X 203 -6.774 -0.577 12.167 1.00 13.39 C ATOM 2948 C LYS X 203 -7.013 0.111 10.808 1.00 13.30 C ATOM 2949 O LYS X 203 -7.323 -0.566 9.823 1.00 12.89 O ATOM 2950 CB LYS X 203 -8.105 -1.087 12.739 1.00 12.96 C ATOM 2951 CG LYS X 203 -9.256 -0.136 12.608 1.00 13.05 C ATOM 2952 CD LYS X 203 -10.449 -0.784 13.291 1.00 16.25 C ATOM 2953 CE LYS X 203 -11.755 -0.048 13.032 1.00 17.56 C ATOM 2954 NZ LYS X 203 -12.822 -0.805 13.803 1.00 22.38 N ATOM 2955 HA LYS X 203 -6.108 -1.414 11.960 1.00 0.00 H ATOM 2956 HB2 LYS X 203 -8.366 -2.008 12.219 1.00 0.00 H ATOM 2957 HB3 LYS X 203 -7.959 -1.298 13.798 1.00 0.00 H ATOM 2958 HG2 LYS X 203 -9.016 0.811 13.092 1.00 0.00 H ATOM 2959 HG3 LYS X 203 -9.478 0.041 11.556 1.00 0.00 H ATOM 2960 HD2 LYS X 203 -10.547 -1.806 12.924 1.00 0.00 H ATOM 2961 HD3 LYS X 203 -10.267 -0.801 14.366 1.00 0.00 H ATOM 2962 HE2 LYS X 203 -11.985 -0.048 11.967 1.00 0.00 H ATOM 2963 HE3 LYS X 203 -11.688 0.980 13.388 1.00 0.00 H ATOM 2964 HZ1 LYS X 203 -12.868 -1.785 13.458 1.00 0.00 H ATOM 2965 HZ2 LYS X 203 -12.583 -0.803 14.815 1.00 0.00 H ATOM 2966 HZ3 LYS X 203 -13.743 -0.343 13.662 1.00 0.00 H ATOM 2967 H LYS X 203 -6.578 0.644 13.958 1.00 0.00 H ATOM 2968 N GLU X 204 -6.815 1.433 10.753 1.00 13.41 N ATOM 2969 CA GLU X 204 -7.332 2.243 9.636 1.00 13.72 C ATOM 2970 C GLU X 204 -6.625 2.134 8.316 1.00 13.23 C ATOM 2971 O GLU X 204 -7.290 2.214 7.319 1.00 12.03 O ATOM 2972 CB GLU X 204 -7.496 3.726 10.027 1.00 13.19 C ATOM 2973 CG GLU X 204 -8.286 3.897 11.308 1.00 16.38 C ATOM 2974 CD GLU X 204 -9.767 3.540 11.190 1.00 20.30 C ATOM 2975 OE1 GLU X 204 -10.456 3.429 12.233 1.00 24.43 O ATOM 2976 OE2 GLU X 204 -10.252 3.389 10.072 1.00 19.30 O ATOM 2977 HA GLU X 204 -8.303 1.782 9.456 1.00 0.00 H ATOM 2978 HB2 GLU X 204 -6.507 4.165 10.163 1.00 0.00 H ATOM 2979 HB3 GLU X 204 -8.015 4.246 9.222 1.00 0.00 H ATOM 2980 HG2 GLU X 204 -7.841 3.258 12.071 1.00 0.00 H ATOM 2981 HG3 GLU X 204 -8.210 4.939 11.619 1.00 0.00 H ATOM 2982 H GLU X 204 -6.284 1.900 11.516 1.00 0.00 H ATOM 2983 N GLU X 205 -5.280 2.013 8.306 1.00 13.77 N ATOM 2984 CA GLU X 205 -4.496 2.036 7.037 1.00 13.92 C ATOM 2985 C GLU X 205 -3.377 1.052 7.068 1.00 12.90 C ATOM 2986 O GLU X 205 -2.209 1.460 7.081 1.00 11.86 O ATOM 2987 CB GLU X 205 -3.827 3.375 6.797 1.00 14.28 C ATOM 2988 CG GLU X 205 -4.751 4.476 6.531 1.00 20.42 C ATOM 2989 CD GLU X 205 -5.245 4.495 5.089 1.00 30.72 C ATOM 2990 OE1 GLU X 205 -4.719 3.713 4.245 1.00 30.06 O ATOM 2991 OE2 GLU X 205 -6.192 5.285 4.831 1.00 34.76 O ATOM 2992 HA GLU X 205 -5.224 1.809 6.258 1.00 0.00 H ATOM 2993 HB2 GLU X 205 -3.242 3.627 7.682 1.00 0.00 H ATOM 2994 HB3 GLU X 205 -3.161 3.274 5.940 1.00 0.00 H ATOM 2995 HG2 GLU X 205 -5.611 4.377 7.193 1.00 0.00 H ATOM 2996 HG3 GLU X 205 -4.241 5.417 6.738 1.00 0.00 H ATOM 2997 H GLU X 205 -4.776 1.901 9.209 1.00 0.00 H ATOM 2998 N ALA X 206 -3.723 -0.233 7.037 1.00 11.47 N ATOM 2999 CA ALA X 206 -2.738 -1.281 7.229 1.00 10.51 C ATOM 3000 C ALA X 206 -2.409 -1.876 5.874 1.00 10.27 C ATOM 3001 O ALA X 206 -3.282 -2.140 5.073 1.00 9.54 O ATOM 3002 CB ALA X 206 -3.314 -2.333 8.139 1.00 10.34 C ATOM 3003 HA ALA X 206 -1.830 -0.884 7.683 1.00 0.00 H ATOM 3004 HB1 ALA X 206 -3.565 -1.883 9.099 1.00 0.00 H ATOM 3005 HB2 ALA X 206 -4.213 -2.751 7.686 1.00 0.00 H ATOM 3006 HB3 ALA X 206 -2.579 -3.124 8.288 1.00 0.00 H ATOM 3007 H ALA X 206 -4.717 -0.490 6.872 1.00 0.00 H ATOM 3008 N SER X 207 -1.153 -2.133 5.589 1.00 10.42 N ATOM 3009 CA SER X 207 -0.899 -2.798 4.322 1.00 11.05 C ATOM 3010 C SER X 207 0.511 -3.467 4.203 1.00 10.78 C ATOM 3011 O SER X 207 1.362 -3.279 5.033 1.00 10.70 O ATOM 3012 CB SER X 207 -1.147 -1.806 3.177 1.00 11.13 C ATOM 3013 OG SER X 207 -0.216 -0.746 3.297 1.00 9.74 O ATOM 3014 HA SER X 207 -1.596 -3.633 4.260 1.00 0.00 H ATOM 3015 HB2 SER X 207 -2.162 -1.414 3.242 1.00 0.00 H ATOM 3016 HB3 SER X 207 -1.013 -2.308 2.219 1.00 0.00 H ATOM 3017 HG SER X 207 -0.362 -0.096 2.565 1.00 0.00 H ATOM 3018 H SER X 207 -0.381 -1.874 6.236 1.00 0.00 H ATOM 3019 N SER X 208 0.743 -4.225 3.147 1.00 10.61 N ATOM 3020 CA SER X 208 2.026 -4.850 3.020 1.00 11.49 C ATOM 3021 C SER X 208 2.452 -4.975 1.570 1.00 11.50 C ATOM 3022 O SER X 208 1.607 -5.187 0.716 1.00 11.32 O ATOM 3023 CB SER X 208 2.001 -6.236 3.698 1.00 11.36 C ATOM 3024 OG SER X 208 3.261 -6.845 3.567 1.00 10.38 O ATOM 3025 HA SER X 208 2.760 -4.217 3.518 1.00 0.00 H ATOM 3026 HB2 SER X 208 1.244 -6.860 3.222 1.00 0.00 H ATOM 3027 HB3 SER X 208 1.762 -6.119 4.755 1.00 0.00 H ATOM 3028 HG SER X 208 3.477 -6.951 2.607 1.00 0.00 H ATOM 3029 H SER X 208 0.010 -4.365 2.423 1.00 0.00 H ATOM 3030 N ALA X 209 3.769 -4.858 1.303 1.00 12.08 N ATOM 3031 CA ALA X 209 4.383 -5.300 0.029 1.00 10.97 C ATOM 3032 C ALA X 209 4.234 -6.825 -0.153 1.00 12.04 C ATOM 3033 O ALA X 209 3.966 -7.590 0.799 1.00 11.24 O ATOM 3034 CB ALA X 209 5.864 -4.891 -0.051 1.00 11.66 C ATOM 3035 HA ALA X 209 3.852 -4.801 -0.782 1.00 0.00 H ATOM 3036 HB1 ALA X 209 5.944 -3.806 0.014 1.00 0.00 H ATOM 3037 HB2 ALA X 209 6.411 -5.347 0.774 1.00 0.00 H ATOM 3038 HB3 ALA X 209 6.283 -5.231 -0.998 1.00 0.00 H ATOM 3039 H ALA X 209 4.384 -4.436 2.028 1.00 0.00 H ATOM 3040 N VAL X 210 4.352 -7.261 -1.396 1.00 12.82 N ATOM 3041 CA VAL X 210 4.288 -8.661 -1.705 1.00 14.76 C ATOM 3042 C VAL X 210 5.563 -8.891 -2.475 1.00 15.51 C ATOM 3043 O VAL X 210 5.852 -8.152 -3.372 1.00 15.04 O ATOM 3044 CB VAL X 210 3.015 -8.969 -2.564 1.00 14.62 C ATOM 3045 CG1 VAL X 210 3.126 -10.318 -3.175 1.00 15.28 C ATOM 3046 CG2 VAL X 210 1.725 -8.887 -1.704 1.00 15.13 C ATOM 3047 HA VAL X 210 4.208 -9.309 -0.832 1.00 0.00 H ATOM 3048 HB VAL X 210 2.950 -8.218 -3.351 1.00 0.00 H ATOM 3049 HG11 VAL X 210 4.008 -10.354 -3.815 1.00 0.00 H ATOM 3050 HG12 VAL X 210 3.216 -11.066 -2.387 1.00 0.00 H ATOM 3051 HG13 VAL X 210 2.235 -10.521 -3.770 1.00 0.00 H ATOM 3052 HG21 VAL X 210 1.783 -9.614 -0.894 1.00 0.00 H ATOM 3053 HG22 VAL X 210 1.630 -7.884 -1.288 1.00 0.00 H ATOM 3054 HG23 VAL X 210 0.859 -9.106 -2.329 1.00 0.00 H ATOM 3055 H VAL X 210 4.494 -6.575 -2.165 1.00 0.00 H ATOM 3056 N VAL X 211 6.365 -9.867 -2.100 1.00 18.82 N ATOM 3057 CA VAL X 211 7.563 -10.128 -2.880 1.00 22.29 C ATOM 3058 C VAL X 211 7.363 -11.272 -3.887 1.00 25.64 C ATOM 3059 O VAL X 211 6.541 -12.185 -3.652 1.00 26.34 O ATOM 3060 CB VAL X 211 8.903 -10.174 -2.031 1.00 22.57 C ATOM 3061 CG1 VAL X 211 8.667 -9.803 -0.623 1.00 21.88 C ATOM 3062 CG2 VAL X 211 9.672 -11.498 -2.184 1.00 22.27 C ATOM 3063 HA VAL X 211 7.727 -9.246 -3.499 1.00 0.00 H ATOM 3064 HB VAL X 211 9.564 -9.415 -2.450 1.00 0.00 H ATOM 3065 HG11 VAL X 211 8.265 -8.791 -0.578 1.00 0.00 H ATOM 3066 HG12 VAL X 211 7.954 -10.499 -0.180 1.00 0.00 H ATOM 3067 HG13 VAL X 211 9.608 -9.846 -0.075 1.00 0.00 H ATOM 3068 HG21 VAL X 211 9.042 -12.323 -1.851 1.00 0.00 H ATOM 3069 HG22 VAL X 211 9.939 -11.642 -3.231 1.00 0.00 H ATOM 3070 HG23 VAL X 211 10.577 -11.463 -1.578 1.00 0.00 H ATOM 3071 H VAL X 211 6.145 -10.440 -1.261 1.00 0.00 H ATOM 3072 N GLY X 212 8.063 -11.183 -5.030 1.00 28.61 N ATOM 3073 CA GLY X 212 7.990 -12.230 -6.081 1.00 31.67 C ATOM 3074 C GLY X 212 7.515 -13.572 -5.512 1.00 33.76 C ATOM 3075 O GLY X 212 7.044 -14.462 -6.247 1.00 36.08 O ATOM 3076 HA3 GLY X 212 8.980 -12.362 -6.518 1.00 0.00 H ATOM 3077 HA2 GLY X 212 7.293 -11.907 -6.854 1.00 0.00 H ATOM 3078 H GLY X 212 8.675 -10.356 -5.184 1.00 0.00 H TER 3079 GLY X 212 HETATM 3080 O HOH 1 8.892 1.835 11.459 1.00 11.91 O HETATM 3081 O HOH 2 8.379 4.460 11.355 1.00 8.27 O HETATM 3082 O HOH 3 13.023 1.810 12.858 1.00 5.65 O HETATM 3083 O HOH 4 10.729 7.491 25.355 1.00 5.09 O HETATM 3084 O HOH 5 -0.633 1.613 4.794 1.00 8.05 O HETATM 3085 O HOH 6 4.345 -11.660 21.431 1.00 12.41 O HETATM 3086 O HOH 7 12.397 -4.519 9.483 1.00 8.10 O HETATM 3087 O HOH 8 5.517 -13.984 21.738 1.00 14.06 O HETATM 3088 O HOH 9 -6.066 -11.884 17.358 1.00 13.19 O HETATM 3089 O HOH 10 9.461 11.426 -1.771 1.00 6.68 O HETATM 3090 O HOH 11 12.066 4.273 17.681 1.00 5.73 O HETATM 3091 O HOH 12 -4.097 -16.490 11.446 1.00 8.99 O HETATM 3092 O HOH 13 -7.635 9.956 10.387 1.00 13.95 O HETATM 3093 O HOH 14 12.701 1.150 8.061 1.00 22.87 O HETATM 3094 O HOH 15 -6.579 -1.228 7.228 1.00 10.61 O HETATM 3095 O HOH 16 3.012 -14.763 2.544 1.00 26.31 O HETATM 3096 O HOH 17 -6.874 -10.270 6.716 1.00 10.84 O HETATM 3097 O HOH 18 -6.755 -8.084 3.101 1.00 36.35 O HETATM 3098 O HOH 19 -0.200 3.986 3.235 1.00 7.51 O HETATM 3099 O HOH 20 8.071 -13.719 22.138 1.00 29.06 O HETATM 3100 O HOH 21 1.214 2.154 31.231 1.00 18.32 O HETATM 3101 O HOH 22 -1.829 9.278 19.774 1.00 14.16 O HETATM 3102 O HOH 23 14.525 -4.386 15.955 1.00 13.31 O HETATM 3103 O HOH 24 5.350 -13.404 3.816 1.00 17.30 O HETATM 3104 O HOH 25 -3.318 1.909 10.440 1.00 16.37 O HETATM 3105 O HOH 26 11.348 -10.827 20.747 1.00 37.79 O HETATM 3106 O HOH 27 14.676 10.502 15.925 1.00 36.74 O HETATM 3107 O HOH 28 13.822 -0.878 9.515 1.00 30.90 O HETATM 3108 O HOH 29 2.817 -17.295 3.541 1.00 23.13 O HETATM 3109 O HOH 30 27.297 -1.692 -0.944 1.00 26.46 O HETATM 3110 O HOH 31 17.616 -1.965 17.335 1.00 16.73 O HETATM 3111 O HOH 32 8.559 5.681 32.914 1.00 38.59 O HETATM 3112 O HOH 33 -8.590 -15.545 13.565 1.00 17.90 O HETATM 3113 O HOH 34 0.907 -17.917 21.170 1.00 28.84 O HETATM 3114 O HOH 35 5.530 -11.383 0.420 1.00 5.57 O HETATM 3115 O HOH 36 25.147 9.816 1.396 1.00 33.42 O HETATM 3116 O HOH 37 11.022 13.886 12.425 1.00 18.23 O HETATM 3117 O HOH 38 18.558 -1.185 10.967 1.00 21.98 O HETATM 3118 O HOH 39 14.844 -9.809 14.149 1.00 20.63 O HETATM 3119 O HOH 40 15.330 14.506 -7.339 1.00 17.51 O HETATM 3120 O HOH 41 22.233 -5.686 5.877 1.00 16.12 O HETATM 3121 O HOH 42 7.106 -12.651 2.036 1.00 8.67 O HETATM 3122 O HOH 43 15.756 -7.955 3.950 1.00 17.35 O HETATM 3123 O HOH 44 19.597 -13.199 7.628 1.00 15.66 O HETATM 3124 O HOH 45 15.542 -2.119 19.898 1.00 19.01 O HETATM 3125 O HOH 46 11.409 -3.814 22.765 1.00 12.39 O HETATM 3126 O HOH 47 -2.725 4.962 32.398 1.00 25.73 O HETATM 3127 O HOH 48 22.502 -2.598 3.335 1.00 20.04 O HETATM 3128 O HOH 49 16.832 13.975 15.429 1.00 39.48 O HETATM 3129 O HOH 50 19.743 -9.214 -1.063 1.00 45.08 O HETATM 3130 O HOH 51 -1.701 -19.363 11.836 1.00 26.50 O HETATM 3131 O HOH 52 -0.679 -6.353 29.421 1.00 25.34 O HETATM 3132 O HOH 53 1.311 14.086 8.572 1.00 29.97 O HETATM 3133 O HOH 54 18.513 5.971 9.727 1.00 22.96 O HETATM 3134 O HOH 55 9.935 -17.819 8.631 1.00 25.16 O HETATM 3135 O HOH 56 12.564 14.901 15.072 1.00 30.15 O HETATM 3136 O HOH 57 -5.839 -11.094 27.499 1.00 30.74 O HETATM 3137 O HOH 58 -0.189 -4.148 -6.393 1.00 25.75 O HETATM 3138 O HOH 59 21.108 16.430 5.995 1.00 29.76 O HETATM 3139 O HOH 60 22.788 -9.087 3.156 1.00 29.40 O HETATM 3140 O HOH 61 11.924 17.229 14.028 1.00 33.07 O HETATM 3141 O HOH 62 -6.333 8.063 30.222 1.00 21.79 O HETATM 3142 O HOH 63 -7.336 -10.048 30.893 1.00 25.88 O HETATM 3143 O HOH 64 12.493 11.795 14.934 1.00 30.54 O HETATM 3144 O HOH 65 -2.268 11.535 5.044 1.00 27.89 O HETATM 3145 O HOH 66 11.887 1.179 10.707 1.00 18.89 O HETATM 3146 O HOH 67 -10.350 -12.664 11.928 1.00 28.36 O HETATM 3147 O HOH 68 11.795 -14.239 -4.104 1.00 20.82 O HETATM 3148 O HOH 69 11.933 16.706 20.172 1.00 46.96 O HETATM 3149 O HOH 70 12.484 -12.093 22.634 1.00 52.88 O HETATM 3150 O HOH 71 -2.347 14.646 6.432 1.00 32.79 O HETATM 3151 O HOH 72 -0.160 -9.806 30.817 1.00 42.32 O HETATM 3152 O HOH 73 -11.596 -5.526 23.112 1.00 36.95 O HETATM 3153 O HOH 74 23.606 13.795 0.184 1.00 27.92 O HETATM 3154 O HOH 75 -3.150 -20.502 9.049 1.00 16.29 O HETATM 3155 O HOH 76 9.362 -0.911 29.368 1.00 14.70 O HETATM 3156 O HOH 77 -7.496 -10.188 4.226 1.00 34.68 O HETATM 3157 O HOH 78 12.939 14.724 -1.416 1.00 34.35 O HETATM 3158 O HOH 79 -3.200 -19.795 6.416 1.00 23.91 O HETATM 3159 O HOH 80 4.864 -15.444 23.793 1.00 30.95 O HETATM 3160 O HOH 81 23.254 17.460 1.110 1.00 27.01 O HETATM 3161 O HOH 82 18.785 -12.597 -4.223 1.00 36.48 O HETATM 3162 O HOH 83 9.820 14.631 21.694 1.00 33.18 O HETATM 3163 O HOH 84 27.283 8.786 0.489 1.00 30.07 O HETATM 3164 O HOH 85 2.504 -8.681 29.422 1.00 39.53 O HETATM 3165 O HOH 86 22.712 15.204 2.946 1.00 25.67 O HETATM 3166 O HOH 87 19.980 0.547 15.815 1.00 31.12 O HETATM 3167 O HOH 88 5.539 -15.638 6.073 1.00 33.21 O HETATM 3168 O HOH 89 21.945 -11.759 7.147 1.00 27.38 O HETATM 3169 O HOH 90 18.407 4.842 3.448 1.00 16.09 O HETATM 3170 O HOH 91 18.176 4.329 6.467 1.00 22.43 O HETATM 3171 O HOH 92 8.618 9.288 -9.380 1.00 33.61 O HETATM 3172 O HOH 93 -2.904 5.302 2.694 1.00 25.35 O HETATM 3173 O HOH 94 24.846 -3.119 -0.788 1.00 16.40 O HETATM 3174 O HOH 95 22.907 9.322 0.270 1.00 26.88 O HETATM 3175 O HOH 96 23.036 -2.470 -9.353 1.00 31.19 O HETATM 3176 O HOH 97 -5.226 -4.689 -1.830 1.00 21.35 O HETATM 3177 O HOH 98 -7.319 -12.864 14.763 1.00 26.04 O HETATM 3178 O HOH 99 18.195 -12.562 10.946 1.00 27.72 O HETATM 3179 O HOH 100 3.598 9.308 30.321 1.00 27.66 O HETATM 3180 O HOH 101 -6.381 -1.158 19.700 1.00 13.55 O HETATM 3181 O HOH 102 -7.390 0.354 4.482 1.00 27.18 O HETATM 3182 O HOH 103 3.942 -14.112 -2.953 1.00 27.46 O HETATM 3183 O HOH 104 -2.403 13.928 9.420 1.00 29.75 O HETATM 3184 O34 UNN A 105 0.475 13.359 5.695 1.00 -0.38 O HETATM 3185 C18 UNN A 105 0.995 12.321 5.357 1.00 0.32 C HETATM 3186 O26 UNN A 105 0.973 12.023 3.944 1.00 -0.25 O HETATM 3187 C27 UNN A 105 0.560 13.148 3.100 1.00 0.11 C HETATM 3188 C28 UNN A 105 0.686 12.931 1.607 1.00 -0.01 C HETATM 3189 C33 UNN A 105 -0.350 12.309 0.884 1.00 -0.06 C HETATM 3190 C32 UNN A 105 -0.176 12.066 -0.476 1.00 -0.07 C HETATM 3191 C31 UNN A 105 1.022 12.460 -1.097 1.00 -0.07 C HETATM 3192 C30 UNN A 105 2.062 13.082 -0.413 1.00 -0.07 C HETATM 3193 C29 UNN A 105 1.862 13.313 0.952 1.00 -0.06 C HETATM 3194 H7 UNN A 105 2.643 13.804 1.521 1.00 0.06 H HETATM 3195 H6 UNN A 105 2.979 13.372 -0.912 1.00 0.06 H HETATM 3196 H5 UNN A 105 1.141 12.271 -2.158 1.00 0.06 H HETATM 3197 H4 UNN A 105 -0.956 11.578 -1.050 1.00 0.06 H HETATM 3198 H3 UNN A 105 -1.271 12.023 1.380 1.00 0.06 H HETATM 3199 H1 UNN A 105 1.179 14.017 3.368 1.00 0.08 H HETATM 3200 H2 UNN A 105 -0.495 13.367 3.322 1.00 0.08 H HETATM 3201 N17 UNN A 105 1.445 11.629 6.375 1.00 -0.24 N HETATM 3202 C13 UNN A 105 2.190 10.451 6.424 1.00 0.14 C HETATM 3203 C16 UNN A 105 1.655 9.538 7.526 1.00 0.02 C HETATM 3204 C20 UNN A 105 0.482 8.733 6.974 1.00 -0.04 C HETATM 3205 C25 UNN A 105 0.706 7.615 6.192 1.00 -0.06 C HETATM 3206 C24 UNN A 105 -0.385 6.902 5.702 1.00 -0.07 C HETATM 3207 C23 UNN A 105 -1.693 7.301 5.975 1.00 -0.07 C HETATM 3208 C22 UNN A 105 -1.932 8.427 6.755 1.00 -0.07 C HETATM 3209 C21 UNN A 105 -0.833 9.134 7.252 1.00 -0.06 C HETATM 3210 H16 UNN A 105 -1.001 10.012 7.866 1.00 0.06 H HETATM 3211 H15 UNN A 105 -2.944 8.748 6.972 1.00 0.06 H HETATM 3212 H14 UNN A 105 -2.526 6.732 5.578 1.00 0.06 H HETATM 3213 H13 UNN A 105 -0.214 6.019 5.096 1.00 0.06 H HETATM 3214 H12 UNN A 105 1.717 7.298 5.963 1.00 0.06 H HETATM 3215 H10 UNN A 105 1.317 10.146 8.378 1.00 0.05 H HETATM 3216 H11 UNN A 105 2.450 8.853 7.857 1.00 0.05 H HETATM 3217 C12 UNN A 105 3.490 11.081 6.795 1.00 0.21 C HETATM 3218 O19 UNN A 105 4.330 11.203 5.930 1.00 -0.39 O HETATM 3219 N11 UNN A 105 3.700 11.552 8.002 1.00 -0.27 N HETATM 3220 C8 UNN A 105 5.047 12.139 8.260 1.00 0.08 C HETATM 3221 C14 UNN A 105 4.976 13.675 8.446 1.00 -0.03 C HETATM 3222 H19 UNN A 105 5.986 14.069 8.633 1.00 0.03 H HETATM 3223 H20 UNN A 105 4.326 13.911 9.301 1.00 0.03 H HETATM 3224 H21 UNN A 105 4.566 14.136 7.535 1.00 0.03 H HETATM 3225 C7 UNN A 105 5.755 11.491 9.463 1.00 -0.03 C HETATM 3226 C6 UNN A 105 5.811 12.333 10.485 1.00 -0.00 C HETATM 3227 C5 UNN A 105 6.354 12.242 11.832 1.00 0.19 C HETATM 3228 O10 UNN A 105 7.473 11.835 12.067 1.00 -0.36 O HETATM 3229 C4 UNN A 105 5.482 12.769 12.893 1.00 0.18 C HETATM 3230 O9 UNN A 105 5.543 12.272 13.996 1.00 -0.34 O HETATM 3231 H24 UNN A 105 4.795 13.590 12.691 1.00 0.15 H HETATM 3232 H23 UNN A 105 5.354 13.298 10.271 1.00 0.05 H HETATM 3233 H22 UNN A 105 6.155 10.478 9.473 1.00 0.09 H HETATM 3234 H18 UNN A 105 5.662 11.940 7.370 1.00 0.08 H HETATM 3235 H17 UNN A 105 2.995 11.519 8.710 1.00 0.19 H HETATM 3236 H9 UNN A 105 2.229 9.915 5.464 1.00 0.08 H HETATM 3237 H8 UNN A 105 1.215 12.011 7.270 1.00 0.19 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 310 309 893 CONECT 805 804 1426 CONECT 893 310 892 CONECT 1426 805 1425 CONECT 2167 2166 2906 CONECT 2906 2167 2905 CONECT 3184 3185 CONECT 3185 3184 3186 3201 CONECT 3186 3185 3187 CONECT 3187 3186 3188 3199 3200 CONECT 3188 3187 3189 3193 CONECT 3189 3188 3190 3198 CONECT 3190 3189 3191 3197 CONECT 3191 3190 3192 3196 CONECT 3192 3191 3193 3195 CONECT 3193 3188 3192 3194 CONECT 3194 3193 CONECT 3195 3192 CONECT 3196 3191 CONECT 3197 3190 CONECT 3198 3189 CONECT 3199 3187 CONECT 3200 3187 CONECT 3201 3185 3202 3237 CONECT 3202 3201 3203 3217 3236 CONECT 3203 3202 3204 3215 3216 CONECT 3204 3203 3205 3209 CONECT 3205 3204 3206 3214 CONECT 3206 3205 3207 3213 CONECT 3207 3206 3208 3212 CONECT 3208 3207 3209 3211 CONECT 3209 3204 3208 3210 CONECT 3210 3209 CONECT 3211 3208 CONECT 3212 3207 CONECT 3213 3206 CONECT 3214 3205 CONECT 3215 3203 CONECT 3216 3203 CONECT 3217 3202 3218 3219 CONECT 3218 3217 CONECT 3219 3217 3220 3235 CONECT 3220 3219 3221 3225 3234 CONECT 3221 3220 3222 3223 3224 CONECT 3222 3221 CONECT 3223 3221 CONECT 3224 3221 CONECT 3225 3220 3226 3233 CONECT 3226 3225 3227 3232 CONECT 3227 3226 3228 3229 CONECT 3228 3227 CONECT 3229 3227 3230 3231 CONECT 3230 3229 CONECT 3231 3229 CONECT 3232 3226 CONECT 3233 3225 CONECT 3234 3220 CONECT 3235 3219 CONECT 3236 3202 CONECT 3237 3201 MASTER 0 0 0 0 0 0 0 0 3236 1 64 17 END
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Related entries of code: 1u9q
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Protein Sequence Similarity
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3iut
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PDBbind
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RCSB PDB
PDBbind
215aa, >3KKU_1|Chain... at 99%
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PDBbind
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1u9q
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
cruzipain
Ligand Name
186
EC.Number
E.C.3.4.22.51
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
IC50=4.7nM
Release Year
2005
Protein/NA Sequence
Check fasta file
Primary Reference
Bioorg.Med.Chem. v13 pp. 2141-56, 2005
Ligand Properties
Formula
C
2
3
H
2
4
N
2
O
5
Molecular Weight
408.447
Exact Mass
408.169
No. of atoms
54
No. of bonds
55
Polar Surface Area
101.57
LOGP Value
2.81 (
Computed with XLOGP3
)
3.13 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
Canonical SMILES
O=CC(=O)/C=C/[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C
InChI String
InChI=1S/C23H24N2O5/c1-17(12-13-20(27)15-26)24-22(28)21(14-18-8-4-2-5-9-18)25-23(29)30-16-19-10-6-3-7-11-19/h2-13,15,17,21H,14,16H2,1H3,(H,24,28)(H,25,29)/b13-12+/t17-,21+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P25779
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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