Browse entries in the PDBbind-CN Database
HEADER 4R3S_COMPLEX COMPND 4R3S_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 114 GLN VAL GLN LEU GLN GLN SER GLY ASP GLU LEU VAL LYS SEQRES 2 A 114 PRO GLY ALA SER VAL LYS LEU SER CYS THR VAL SER GLY SEQRES 3 A 114 PHE ASN ILE LYS ASP ASP PHE ILE HIS TRP MET LYS GLN SEQRES 4 A 114 ARG PRO GLU GLN GLY LEU GLU TRP ILE GLY ARG ILE ASP SEQRES 5 A 114 PRO ALA ASN GLY TYR THR LYS TYR ALA PRO LYS PHE GLN SEQRES 6 A 114 ASP LYS ALA THR MET THR ALA ASP THR SER SER ASN THR SEQRES 7 A 114 ALA TYR LEU GLN LEU SER SER LEU ALA SER GLU ASP ALA SEQRES 8 A 114 ALA VAL TYR TYR CYS ALA THR TYR GLY VAL ALA TYR TRP SEQRES 9 A 114 GLY GLN GLY THR LEU VAL THR VAL SER ALA SEQRES 1 B 111 ASP ILE VAL LEU THR GLN SER PRO ALA SER LEU ALA VAL SEQRES 2 B 111 SER LEU GLY GLN ARG ALA THR ILE SER CYS LYS ALA SER SEQRES 3 B 111 GLN SER VAL ASP HIS ASP GLY ASP SER TYR MET ASN TRP SEQRES 4 B 111 PHE GLN GLN LYS PRO GLY GLN SER PRO LYS LEU LEU ILE SEQRES 5 B 111 TYR ALA ALA SER ASN LEU GLU SER GLY ILE PRO ALA ARG SEQRES 6 B 111 PHE SER GLY SER GLY SER GLY THR ASP PHE THR LEU ASN SEQRES 7 B 111 ILE HIS PRO VAL GLU GLU GLU ASP ALA ALA THR TYR TYR SEQRES 8 B 111 CYS GLN GLN THR ASN GLU ASP PRO TYR THR PHE GLY GLY SEQRES 9 B 111 GLY THR LYS LEU GLU ILE LYS HET ILE A 596 194 SSBOND 1 CYS A 22 CYS A 96 SSBOND 2 CYS B 23 CYS B 92 ATOM 1 N GLN A 1 13.587 0.410 16.162 1.00 14.60 N ATOM 2 CA GLN A 1 14.095 0.679 17.507 1.00 13.29 C ATOM 3 C GLN A 1 12.969 0.423 18.474 1.00 11.51 C ATOM 4 O GLN A 1 13.232 0.219 19.664 1.00 14.33 O ATOM 5 CB GLN A 1 14.626 2.123 17.663 1.00 10.66 C ATOM 6 CG GLN A 1 15.907 2.441 16.835 1.00 19.12 C ATOM 7 CD GLN A 1 17.191 1.929 17.491 1.00 15.37 C ATOM 8 OE1 GLN A 1 17.354 2.053 18.700 1.00 10.89 O ATOM 9 NE2 GLN A 1 18.097 1.333 16.691 1.00 11.27 N ATOM 10 HE22 GLN A 1 17.915 1.251 15.670 1.00 0.00 H ATOM 11 HE21 GLN A 1 18.978 0.955 17.094 1.00 0.00 H ATOM 12 HN3 GLN A 1 12.785 1.041 15.963 1.00 0.00 H ATOM 13 HN2 GLN A 1 13.274 -0.580 16.103 1.00 0.00 H ATOM 14 HN1 GLN A 1 14.343 0.578 15.467 1.00 0.00 H ATOM 15 N VAL A 2 11.724 0.395 17.986 1.00 10.69 N ATOM 16 CA VAL A 2 10.573 0.328 18.926 1.00 7.60 C ATOM 17 C VAL A 2 9.924 -1.068 19.007 1.00 11.89 C ATOM 18 O VAL A 2 9.580 -1.680 17.971 1.00 14.92 O ATOM 19 CB VAL A 2 9.470 1.340 18.556 1.00 8.50 C ATOM 20 CG1 VAL A 2 8.345 1.324 19.650 1.00 7.00 C ATOM 21 CG2 VAL A 2 10.053 2.739 18.417 1.00 8.71 C ATOM 22 H VAL A 2 11.562 0.420 16.959 1.00 0.00 H ATOM 23 N GLN A 3 9.764 -1.574 20.239 1.00 7.15 N ATOM 24 CA GLN A 3 9.149 -2.869 20.459 1.00 9.18 C ATOM 25 C GLN A 3 8.050 -2.762 21.507 1.00 7.85 C ATOM 26 O GLN A 3 8.171 -2.037 22.504 1.00 8.96 O ATOM 27 CB GLN A 3 10.180 -3.916 20.892 1.00 14.60 C ATOM 28 H GLN A 3 10.090 -1.023 21.059 1.00 0.00 H ATOM 29 N LEU A 4 6.955 -3.449 21.250 1.00 3.91 N ATOM 30 CA LEU A 4 5.869 -3.455 22.211 1.00 3.77 C ATOM 31 C LEU A 4 5.677 -4.877 22.706 1.00 7.51 C ATOM 32 O LEU A 4 5.349 -5.749 21.895 1.00 8.24 O ATOM 33 CB LEU A 4 4.579 -2.917 21.578 1.00 5.77 C ATOM 34 CG LEU A 4 4.603 -1.427 21.155 1.00 8.05 C ATOM 35 CD1 LEU A 4 5.271 -1.224 19.781 1.00 12.54 C ATOM 36 CD2 LEU A 4 3.226 -0.845 21.094 1.00 6.99 C ATOM 37 H LEU A 4 6.870 -3.984 20.362 1.00 0.00 H ATOM 38 N GLN A 5 5.862 -5.123 24.008 1.00 4.07 N ATOM 39 CA GLN A 5 5.790 -6.503 24.526 1.00 4.22 C ATOM 40 C GLN A 5 4.540 -6.662 25.348 1.00 5.60 C ATOM 41 O GLN A 5 4.391 -6.017 26.402 1.00 6.15 O ATOM 42 CB GLN A 5 6.992 -6.822 25.388 1.00 5.79 C ATOM 43 CG GLN A 5 6.882 -8.141 26.133 1.00 11.74 C ATOM 44 CD GLN A 5 7.007 -9.323 25.205 1.00 18.22 C ATOM 45 OE1 GLN A 5 7.622 -9.225 24.144 1.00 21.55 O ATOM 46 NE2 GLN A 5 6.402 -10.444 25.580 1.00 22.45 N ATOM 47 HE22 GLN A 5 5.893 -10.482 26.486 1.00 0.00 H ATOM 48 HE21 GLN A 5 6.437 -11.284 24.968 1.00 0.00 H ATOM 49 H GLN A 5 6.058 -4.336 24.659 1.00 0.00 H ATOM 50 N GLN A 6 3.624 -7.458 24.830 1.00 3.96 N ATOM 51 CA GLN A 6 2.348 -7.629 25.520 1.00 3.91 C ATOM 52 C GLN A 6 2.407 -8.794 26.480 1.00 4.24 C ATOM 53 O GLN A 6 3.176 -9.748 26.271 1.00 4.92 O ATOM 54 CB GLN A 6 1.236 -7.843 24.509 1.00 3.63 C ATOM 55 CG GLN A 6 0.958 -6.514 23.767 1.00 4.36 C ATOM 56 CD GLN A 6 -0.231 -6.579 22.817 1.00 3.96 C ATOM 57 OE1 GLN A 6 -0.076 -6.459 21.574 1.00 3.50 O ATOM 58 NE2 GLN A 6 -1.413 -6.730 23.381 1.00 3.12 N ATOM 59 HE22 GLN A 6 -1.488 -6.825 24.414 1.00 0.00 H ATOM 60 HE21 GLN A 6 -2.270 -6.754 22.793 1.00 0.00 H ATOM 61 H GLN A 6 3.809 -7.959 23.938 1.00 0.00 H ATOM 62 N SER A 7 1.518 -8.745 27.469 1.00 4.32 N ATOM 63 CA SER A 7 1.432 -9.774 28.498 1.00 5.23 C ATOM 64 C SER A 7 0.846 -11.078 27.958 1.00 4.75 C ATOM 65 O SER A 7 0.343 -11.161 26.810 1.00 4.49 O ATOM 66 CB SER A 7 0.596 -9.214 29.675 1.00 4.78 C ATOM 67 OG SER A 7 -0.669 -8.699 29.192 1.00 6.11 O ATOM 68 HG SER A 7 -1.175 -9.428 28.753 1.00 0.00 H ATOM 69 H SER A 7 0.859 -7.941 27.509 1.00 0.00 H ATOM 70 N GLY A 8 0.922 -12.111 28.783 1.00 5.78 N ATOM 71 CA GLY A 8 0.624 -13.439 28.291 1.00 7.55 C ATOM 72 C GLY A 8 -0.862 -13.691 28.120 1.00 7.80 C ATOM 73 O GLY A 8 -1.734 -12.983 28.697 1.00 5.23 O ATOM 74 H GLY A 8 1.194 -11.969 29.777 1.00 0.00 H ATOM 75 N ASP A 9 -1.160 -14.690 27.304 1.00 5.38 N ATOM 76 CA ASP A 9 -2.566 -15.104 27.098 1.00 5.42 C ATOM 77 C ASP A 9 -3.287 -15.456 28.412 1.00 6.44 C ATOM 78 O ASP A 9 -2.680 -15.958 29.369 1.00 6.18 O ATOM 79 CB ASP A 9 -2.627 -16.318 26.154 1.00 7.48 C ATOM 80 CG ASP A 9 -2.038 -16.010 24.745 1.00 13.04 C ATOM 81 OD1 ASP A 9 -1.809 -14.827 24.321 1.00 9.35 O ATOM 82 OD2 ASP A 9 -1.792 -16.999 24.022 1.00 18.74 O ATOM 83 H ASP A 9 -0.398 -15.189 26.802 1.00 0.00 H ATOM 84 N GLU A 10 -4.598 -15.218 28.435 1.00 5.75 N ATOM 85 CA GLU A 10 -5.375 -15.361 29.681 1.00 6.11 C ATOM 86 C GLU A 10 -6.718 -16.008 29.380 1.00 6.33 C ATOM 87 O GLU A 10 -7.426 -15.583 28.442 1.00 7.49 O ATOM 88 CB GLU A 10 -5.658 -13.984 30.340 1.00 15.88 C ATOM 89 CG GLU A 10 -4.433 -13.194 30.823 1.00 21.38 C ATOM 90 CD GLU A 10 -4.106 -13.459 32.289 1.00 37.44 C ATOM 91 OE1 GLU A 10 -5.029 -13.872 33.023 1.00 40.56 O ATOM 92 OE2 GLU A 10 -2.926 -13.272 32.697 1.00 42.42 O ATOM 93 H GLU A 10 -5.081 -14.927 27.561 1.00 0.00 H ATOM 94 N LEU A 11 -7.073 -17.001 30.160 1.00 6.90 N ATOM 95 CA LEU A 11 -8.419 -17.559 30.137 1.00 7.24 C ATOM 96 C LEU A 11 -9.189 -16.973 31.327 1.00 7.41 C ATOM 97 O LEU A 11 -8.759 -17.128 32.474 1.00 7.72 O ATOM 98 CB LEU A 11 -8.358 -19.095 30.211 1.00 7.86 C ATOM 99 CG LEU A 11 -9.660 -19.842 30.499 1.00 8.42 C ATOM 100 CD1 LEU A 11 -10.696 -19.609 29.389 1.00 8.22 C ATOM 101 CD2 LEU A 11 -9.394 -21.346 30.603 1.00 9.10 C ATOM 102 H LEU A 11 -6.372 -17.403 30.815 1.00 0.00 H ATOM 103 N VAL A 12 -10.311 -16.311 31.080 1.00 7.27 N ATOM 104 CA VAL A 12 -11.005 -15.585 32.141 1.00 7.41 C ATOM 105 C VAL A 12 -12.426 -16.093 32.274 1.00 7.89 C ATOM 106 O VAL A 12 -12.981 -16.624 31.315 1.00 8.34 O ATOM 107 CB VAL A 12 -11.069 -14.077 31.836 1.00 11.34 C ATOM 108 CG1 VAL A 12 -9.662 -13.507 31.567 1.00 8.77 C ATOM 109 CG2 VAL A 12 -11.939 -13.863 30.635 1.00 16.14 C ATOM 110 H VAL A 12 -10.703 -16.309 30.117 1.00 0.00 H ATOM 111 N LYS A 13 -13.017 -15.921 33.444 1.00 8.28 N ATOM 112 CA LYS A 13 -14.386 -16.411 33.658 1.00 8.83 C ATOM 113 C LYS A 13 -15.421 -15.324 33.333 1.00 8.61 C ATOM 114 O LYS A 13 -15.173 -14.147 33.504 1.00 8.22 O ATOM 115 CB LYS A 13 -14.545 -16.908 35.086 1.00 12.26 C ATOM 116 CG LYS A 13 -13.704 -18.157 35.292 1.00 17.14 C ATOM 117 CD LYS A 13 -13.893 -18.818 36.622 1.00 27.86 C ATOM 118 CE LYS A 13 -12.962 -20.032 36.767 1.00 31.63 C ATOM 119 NZ LYS A 13 -13.076 -21.032 35.674 1.00 32.92 N ATOM 120 HZ1 LYS A 13 -14.049 -21.399 35.642 1.00 0.00 H ATOM 121 HZ2 LYS A 13 -12.844 -20.580 34.767 1.00 0.00 H ATOM 122 HZ3 LYS A 13 -12.415 -21.815 35.852 1.00 0.00 H ATOM 123 H LYS A 13 -12.512 -15.438 34.214 1.00 0.00 H ATOM 124 N PRO A 14 -16.604 -15.731 32.852 1.00 8.95 N ATOM 125 CA PRO A 14 -17.629 -14.718 32.584 1.00 8.84 C ATOM 126 C PRO A 14 -17.893 -13.885 33.840 1.00 9.02 C ATOM 127 O PRO A 14 -17.958 -14.436 34.938 1.00 9.54 O ATOM 128 CB PRO A 14 -18.864 -15.544 32.178 1.00 9.41 C ATOM 129 CG PRO A 14 -18.261 -16.870 31.657 1.00 16.12 C ATOM 130 CD PRO A 14 -17.057 -17.102 32.542 1.00 9.50 C ATOM 131 N GLY A 15 -18.036 -12.568 33.652 1.00 8.62 N ATOM 132 CA GLY A 15 -18.384 -11.694 34.752 1.00 8.83 C ATOM 133 C GLY A 15 -17.184 -11.055 35.392 1.00 8.62 C ATOM 134 O GLY A 15 -17.315 -10.077 36.139 1.00 8.83 O ATOM 135 H GLY A 15 -17.895 -12.167 32.703 1.00 0.00 H ATOM 136 N ALA A 16 -16.013 -11.630 35.149 1.00 8.23 N ATOM 137 CA ALA A 16 -14.802 -11.185 35.829 1.00 8.03 C ATOM 138 C ALA A 16 -14.165 -10.075 35.041 1.00 7.38 C ATOM 139 O ALA A 16 -14.676 -9.653 34.035 1.00 9.98 O ATOM 140 CB ALA A 16 -13.805 -12.364 36.034 1.00 8.32 C ATOM 141 H ALA A 16 -15.958 -12.410 34.463 1.00 0.00 H ATOM 142 N SER A 17 -13.061 -9.551 35.547 1.00 7.20 N ATOM 143 CA SER A 17 -12.363 -8.468 34.897 1.00 6.67 C ATOM 144 C SER A 17 -10.957 -8.980 34.619 1.00 6.43 C ATOM 145 O SER A 17 -10.473 -9.872 35.329 1.00 8.70 O ATOM 146 CB SER A 17 -12.354 -7.237 35.832 1.00 18.54 C ATOM 147 OG SER A 17 -11.434 -6.254 35.401 1.00 27.02 O ATOM 148 HG SER A 17 -10.523 -6.640 35.387 1.00 0.00 H ATOM 149 H SER A 17 -12.685 -9.931 36.439 1.00 0.00 H ATOM 150 N VAL A 18 -10.270 -8.399 33.652 1.00 5.94 N ATOM 151 CA VAL A 18 -8.894 -8.780 33.425 1.00 5.77 C ATOM 152 C VAL A 18 -8.096 -7.543 33.007 1.00 5.45 C ATOM 153 O VAL A 18 -8.647 -6.593 32.411 1.00 5.15 O ATOM 154 CB VAL A 18 -8.788 -9.927 32.339 1.00 7.40 C ATOM 155 CG1 VAL A 18 -9.224 -9.401 30.930 1.00 5.26 C ATOM 156 CG2 VAL A 18 -7.380 -10.503 32.299 1.00 12.81 C ATOM 157 H VAL A 18 -10.716 -7.672 33.057 1.00 0.00 H ATOM 158 N LYS A 19 -6.806 -7.520 33.340 1.00 5.37 N ATOM 159 CA LYS A 19 -5.982 -6.375 32.935 1.00 5.08 C ATOM 160 C LYS A 19 -4.803 -6.826 32.112 1.00 4.87 C ATOM 161 O LYS A 19 -3.990 -7.648 32.592 1.00 6.34 O ATOM 162 CB LYS A 19 -5.495 -5.603 34.160 1.00 5.72 C ATOM 163 CG LYS A 19 -4.788 -4.285 33.815 1.00 9.77 C ATOM 164 CD LYS A 19 -4.142 -3.731 35.100 1.00 17.32 C ATOM 165 CE LYS A 19 -4.596 -2.333 35.335 1.00 25.70 C ATOM 166 NZ LYS A 19 -4.074 -1.879 36.685 1.00 29.63 N ATOM 167 HZ1 LYS A 19 -4.447 -2.504 37.428 1.00 0.00 H ATOM 168 HZ2 LYS A 19 -3.035 -1.920 36.685 1.00 0.00 H ATOM 169 HZ3 LYS A 19 -4.383 -0.902 36.864 1.00 0.00 H ATOM 170 H LYS A 19 -6.388 -8.304 33.880 1.00 0.00 H ATOM 171 N LEU A 20 -4.703 -6.315 30.890 1.00 4.49 N ATOM 172 CA LEU A 20 -3.602 -6.659 29.955 1.00 4.29 C ATOM 173 C LEU A 20 -2.502 -5.605 29.967 1.00 4.23 C ATOM 174 O LEU A 20 -2.815 -4.444 30.242 1.00 4.21 O ATOM 175 CB LEU A 20 -4.186 -6.769 28.546 1.00 3.98 C ATOM 176 CG LEU A 20 -5.470 -7.567 28.475 1.00 9.26 C ATOM 177 CD1 LEU A 20 -5.801 -7.632 26.974 1.00 6.02 C ATOM 178 CD2 LEU A 20 -5.399 -8.957 29.066 1.00 8.19 C ATOM 179 H LEU A 20 -5.430 -5.642 30.573 1.00 0.00 H ATOM 180 N SER A 21 -1.241 -5.961 29.704 1.00 4.25 N ATOM 181 CA SER A 21 -0.270 -4.883 29.674 1.00 4.33 C ATOM 182 C SER A 21 0.501 -4.862 28.349 1.00 4.94 C ATOM 183 O SER A 21 0.543 -5.831 27.608 1.00 3.92 O ATOM 184 CB SER A 21 0.690 -5.011 30.840 1.00 5.68 C ATOM 185 OG SER A 21 1.490 -6.175 30.692 1.00 6.94 O ATOM 186 HG SER A 21 2.008 -6.113 29.851 1.00 0.00 H ATOM 187 H SER A 21 -0.972 -6.951 29.531 1.00 0.00 H ATOM 188 N CYS A 22 1.175 -3.757 28.128 1.00 4.00 N ATOM 189 CA CYS A 22 1.867 -3.455 26.866 1.00 3.82 C ATOM 190 C CYS A 22 3.098 -2.697 27.271 1.00 7.40 C ATOM 191 O CYS A 22 2.975 -1.534 27.624 1.00 6.23 O ATOM 192 CB CYS A 22 0.942 -2.567 25.981 1.00 3.63 C ATOM 193 SG CYS A 22 1.776 -2.006 24.445 1.00 10.09 S ATOM 194 H CYS A 22 1.222 -3.053 28.892 1.00 0.00 H ATOM 195 N THR A 23 4.262 -3.349 27.347 1.00 4.29 N ATOM 196 CA THR A 23 5.494 -2.676 27.803 1.00 4.63 C ATOM 197 C THR A 23 6.310 -2.204 26.607 1.00 4.91 C ATOM 198 O THR A 23 6.656 -3.004 25.707 1.00 6.57 O ATOM 199 CB THR A 23 6.332 -3.629 28.678 1.00 8.44 C ATOM 200 OG1 THR A 23 5.511 -4.141 29.725 1.00 10.87 O ATOM 201 CG2 THR A 23 7.584 -2.958 29.240 1.00 11.21 C ATOM 202 HG1 THR A 23 4.746 -4.633 29.333 1.00 0.00 H ATOM 203 H THR A 23 4.301 -4.353 27.079 1.00 0.00 H ATOM 204 N VAL A 24 6.611 -0.905 26.556 1.00 4.70 N ATOM 205 CA VAL A 24 7.216 -0.362 25.368 1.00 4.67 C ATOM 206 C VAL A 24 8.703 -0.135 25.594 1.00 5.12 C ATOM 207 O VAL A 24 9.112 0.400 26.636 1.00 5.48 O ATOM 208 CB VAL A 24 6.534 0.980 24.970 1.00 4.55 C ATOM 209 CG1 VAL A 24 7.185 1.532 23.734 1.00 4.57 C ATOM 210 CG2 VAL A 24 5.059 0.764 24.719 1.00 4.15 C ATOM 211 H VAL A 24 6.410 -0.289 27.369 1.00 0.00 H ATOM 212 N SER A 25 9.523 -0.609 24.667 1.00 5.17 N ATOM 213 CA SER A 25 10.941 -0.249 24.687 1.00 5.96 C ATOM 214 C SER A 25 11.336 0.530 23.433 1.00 8.29 C ATOM 215 O SER A 25 10.736 0.382 22.359 1.00 6.91 O ATOM 216 CB SER A 25 11.795 -1.505 24.836 1.00 14.14 C ATOM 217 OG SER A 25 11.476 -2.382 23.793 1.00 14.94 O ATOM 218 HG SER A 25 11.665 -1.944 22.926 1.00 0.00 H ATOM 219 H SER A 25 9.158 -1.238 23.924 1.00 0.00 H ATOM 220 N GLY A 26 12.363 1.381 23.573 1.00 6.15 N ATOM 221 CA GLY A 26 12.848 2.095 22.417 1.00 6.27 C ATOM 222 C GLY A 26 12.073 3.355 22.106 1.00 12.20 C ATOM 223 O GLY A 26 12.250 3.933 21.050 1.00 7.84 O ATOM 224 H GLY A 26 12.804 1.525 24.504 1.00 0.00 H ATOM 225 N PHE A 27 11.194 3.754 23.023 1.00 8.98 N ATOM 226 CA PHE A 27 10.304 4.892 22.771 1.00 7.81 C ATOM 227 C PHE A 27 9.687 5.366 24.106 1.00 9.21 C ATOM 228 O PHE A 27 9.157 4.559 24.885 1.00 11.12 O ATOM 229 CB PHE A 27 9.216 4.511 21.752 1.00 6.59 C ATOM 230 CG PHE A 27 8.400 5.698 21.250 1.00 7.48 C ATOM 231 CD1 PHE A 27 8.868 6.498 20.224 1.00 8.44 C ATOM 232 CD2 PHE A 27 7.189 6.009 21.826 1.00 8.85 C ATOM 233 CE1 PHE A 27 8.153 7.645 19.784 1.00 14.38 C ATOM 234 CE2 PHE A 27 6.461 7.139 21.392 1.00 8.41 C ATOM 235 CZ PHE A 27 6.935 7.949 20.346 1.00 11.35 C ATOM 236 H PHE A 27 11.138 3.251 23.932 1.00 0.00 H ATOM 237 N ASN A 28 9.743 6.680 24.357 1.00 7.30 N ATOM 238 CA ASN A 28 9.204 7.272 25.572 1.00 6.54 C ATOM 239 C ASN A 28 7.704 7.445 25.376 1.00 9.92 C ATOM 240 O ASN A 28 7.290 8.222 24.505 1.00 10.43 O ATOM 241 CB ASN A 28 9.862 8.631 25.829 1.00 7.18 C ATOM 242 CG ASN A 28 9.412 9.289 27.123 1.00 20.71 C ATOM 243 OD1 ASN A 28 8.301 9.086 27.620 1.00 16.87 O ATOM 244 ND2 ASN A 28 10.296 10.107 27.673 1.00 25.42 N ATOM 245 HD22 ASN A 28 11.222 10.251 27.222 1.00 0.00 H ATOM 246 HD21 ASN A 28 10.064 10.606 28.556 1.00 0.00 H ATOM 247 H ASN A 28 10.190 7.303 23.655 1.00 0.00 H ATOM 248 N ILE A 29 6.873 6.764 26.148 1.00 6.35 N ATOM 249 CA ILE A 29 5.467 6.759 25.771 1.00 5.44 C ATOM 250 C ILE A 29 4.812 8.075 26.117 1.00 5.70 C ATOM 251 O ILE A 29 3.659 8.264 25.746 1.00 5.45 O ATOM 252 CB ILE A 29 4.648 5.647 26.423 1.00 5.12 C ATOM 253 CG1 ILE A 29 4.579 5.801 27.947 1.00 5.44 C ATOM 254 CG2 ILE A 29 5.245 4.263 26.002 1.00 4.90 C ATOM 255 CD1 ILE A 29 3.692 4.727 28.631 1.00 5.20 C ATOM 256 H ILE A 29 7.210 6.254 26.989 1.00 0.00 H ATOM 257 N LYS A 30 5.516 8.967 26.803 1.00 6.24 N ATOM 258 CA LYS A 30 4.964 10.312 26.963 1.00 8.43 C ATOM 259 C LYS A 30 4.829 10.998 25.608 1.00 6.52 C ATOM 260 O LYS A 30 4.165 12.023 25.514 1.00 6.95 O ATOM 261 CB LYS A 30 5.834 11.190 27.861 1.00 9.63 C ATOM 262 CG LYS A 30 5.625 10.965 29.305 1.00 14.66 C ATOM 263 CD LYS A 30 6.673 11.791 30.043 1.00 19.09 C ATOM 264 CE LYS A 30 6.779 11.323 31.466 1.00 23.29 C ATOM 265 NZ LYS A 30 7.954 11.889 32.161 1.00 35.03 N ATOM 266 HZ1 LYS A 30 8.821 11.602 31.663 1.00 0.00 H ATOM 267 HZ2 LYS A 30 7.884 12.927 32.169 1.00 0.00 H ATOM 268 HZ3 LYS A 30 7.981 11.535 33.139 1.00 0.00 H ATOM 269 H LYS A 30 6.437 8.716 27.216 1.00 0.00 H ATOM 270 N ASP A 31 5.465 10.455 24.568 1.00 6.30 N ATOM 271 CA ASP A 31 5.558 11.208 23.318 1.00 8.24 C ATOM 272 C ASP A 31 4.522 10.789 22.276 1.00 5.88 C ATOM 273 O ASP A 31 4.493 11.359 21.181 1.00 7.93 O ATOM 274 CB ASP A 31 6.954 11.061 22.694 1.00 7.34 C ATOM 275 CG ASP A 31 8.051 11.714 23.531 1.00 13.81 C ATOM 276 OD1 ASP A 31 7.718 12.492 24.452 1.00 12.82 O ATOM 277 OD2 ASP A 31 9.252 11.425 23.283 1.00 15.04 O ATOM 278 H ASP A 31 5.889 9.509 24.646 1.00 0.00 H ATOM 279 N ASP A 32 3.664 9.826 22.590 1.00 5.43 N ATOM 280 CA ASP A 32 2.630 9.461 21.618 1.00 5.01 C ATOM 281 C ASP A 32 1.467 8.769 22.296 1.00 6.31 C ATOM 282 O ASP A 32 1.653 8.178 23.358 1.00 7.07 O ATOM 283 CB ASP A 32 3.211 8.512 20.538 1.00 4.71 C ATOM 284 CG ASP A 32 2.380 8.478 19.271 1.00 7.48 C ATOM 285 OD1 ASP A 32 1.359 9.196 19.120 1.00 7.73 O ATOM 286 OD2 ASP A 32 2.773 7.738 18.399 1.00 7.29 O ATOM 287 H ASP A 32 3.724 9.340 23.508 1.00 0.00 H ATOM 288 N PHE A 33 0.289 8.758 21.643 1.00 4.46 N ATOM 289 CA PHE A 33 -0.775 7.878 22.074 1.00 4.16 C ATOM 290 C PHE A 33 -0.345 6.425 22.048 1.00 5.88 C ATOM 291 O PHE A 33 0.462 6.028 21.209 1.00 6.42 O ATOM 292 CB PHE A 33 -2.011 7.986 21.162 1.00 3.99 C ATOM 293 CG PHE A 33 -2.590 9.367 21.074 1.00 4.33 C ATOM 294 CD1 PHE A 33 -3.315 9.900 22.113 1.00 8.05 C ATOM 295 CD2 PHE A 33 -2.428 10.119 19.919 1.00 10.54 C ATOM 296 CE1 PHE A 33 -3.849 11.148 22.008 1.00 12.57 C ATOM 297 CE2 PHE A 33 -2.951 11.356 19.815 1.00 13.86 C ATOM 298 CZ PHE A 33 -3.677 11.885 20.864 1.00 16.20 C ATOM 299 H PHE A 33 0.144 9.385 20.826 1.00 0.00 H ATOM 300 N ILE A 34 -0.922 5.627 22.944 1.00 3.74 N ATOM 301 CA ILE A 34 -0.993 4.188 22.740 1.00 3.44 C ATOM 302 C ILE A 34 -2.438 3.832 22.405 1.00 3.24 C ATOM 303 O ILE A 34 -3.375 4.295 23.086 1.00 3.77 O ATOM 304 CB ILE A 34 -0.491 3.411 23.975 1.00 3.53 C ATOM 305 CG1 ILE A 34 1.025 3.675 24.114 1.00 10.64 C ATOM 306 CG2 ILE A 34 -0.699 1.900 23.820 1.00 3.29 C ATOM 307 CD1 ILE A 34 1.649 3.282 25.453 1.00 22.12 C ATOM 308 H ILE A 34 -1.330 6.040 23.807 1.00 0.00 H ATOM 309 N HIS A 35 -2.594 3.033 21.346 1.00 2.99 N ATOM 310 CA HIS A 35 -3.896 2.595 20.810 1.00 2.83 C ATOM 311 C HIS A 35 -4.112 1.139 21.126 1.00 3.48 C ATOM 312 O HIS A 35 -3.142 0.357 21.091 1.00 2.66 O ATOM 313 CB HIS A 35 -3.951 2.738 19.282 1.00 2.71 C ATOM 314 CG HIS A 35 -3.664 4.100 18.795 1.00 2.88 C ATOM 315 ND1 HIS A 35 -4.663 4.980 18.439 1.00 3.70 N ATOM 316 CD2 HIS A 35 -2.498 4.771 18.664 1.00 3.03 C ATOM 317 CE1 HIS A 35 -4.121 6.138 18.092 1.00 4.92 C ATOM 318 NE2 HIS A 35 -2.811 6.028 18.194 1.00 3.98 N ATOM 319 H HIS A 35 -1.736 2.696 20.865 1.00 0.00 H ATOM 320 N TRP A 36 -5.356 0.746 21.360 1.00 2.71 N ATOM 321 CA TRP A 36 -5.668 -0.657 21.555 1.00 2.66 C ATOM 322 C TRP A 36 -6.659 -1.128 20.522 1.00 2.57 C ATOM 323 O TRP A 36 -7.589 -0.372 20.161 1.00 2.62 O ATOM 324 CB TRP A 36 -6.235 -0.865 22.953 1.00 4.33 C ATOM 325 CG TRP A 36 -5.182 -0.710 24.027 1.00 3.43 C ATOM 326 CD1 TRP A 36 -4.804 0.469 24.674 1.00 5.40 C ATOM 327 CD2 TRP A 36 -4.395 -1.757 24.606 1.00 4.23 C ATOM 328 NE1 TRP A 36 -3.834 0.183 25.639 1.00 3.27 N ATOM 329 CE2 TRP A 36 -3.570 -1.162 25.617 1.00 4.45 C ATOM 330 CE3 TRP A 36 -4.316 -3.151 24.385 1.00 3.24 C ATOM 331 CZ2 TRP A 36 -2.664 -1.908 26.392 1.00 5.89 C ATOM 332 CZ3 TRP A 36 -3.411 -3.897 25.169 1.00 5.50 C ATOM 333 CH2 TRP A 36 -2.611 -3.261 26.174 1.00 6.79 C ATOM 334 HE1 TRP A 36 -3.386 0.877 26.271 1.00 0.00 H ATOM 335 H TRP A 36 -6.118 1.452 21.404 1.00 0.00 H ATOM 336 N MET A 37 -6.436 -2.331 20.004 1.00 2.51 N ATOM 337 CA MET A 37 -7.309 -2.902 18.947 1.00 2.73 C ATOM 338 C MET A 37 -7.775 -4.269 19.393 1.00 3.37 C ATOM 339 O MET A 37 -7.040 -4.973 20.122 1.00 3.36 O ATOM 340 CB MET A 37 -6.550 -3.050 17.610 1.00 4.25 C ATOM 341 CG MET A 37 -6.592 -1.876 16.635 1.00 8.04 C ATOM 342 SD MET A 37 -5.648 -0.541 17.248 1.00 16.48 S ATOM 343 CE MET A 37 -4.056 -1.209 17.682 1.00 12.45 C ATOM 344 H MET A 37 -5.628 -2.888 20.348 1.00 0.00 H ATOM 345 N LYS A 38 -8.962 -4.668 18.955 1.00 2.98 N ATOM 346 CA LYS A 38 -9.520 -6.005 19.259 1.00 2.88 C ATOM 347 C LYS A 38 -9.665 -6.785 17.958 1.00 5.36 C ATOM 348 O LYS A 38 -10.089 -6.215 16.970 1.00 3.21 O ATOM 349 CB LYS A 38 -10.875 -5.855 19.898 1.00 3.10 C ATOM 350 CG LYS A 38 -11.598 -7.144 20.168 1.00 3.39 C ATOM 351 CD LYS A 38 -12.959 -6.820 20.714 1.00 8.26 C ATOM 352 CE LYS A 38 -13.678 -8.057 21.250 1.00 5.04 C ATOM 353 NZ LYS A 38 -15.036 -7.642 21.757 1.00 5.76 N ATOM 354 HZ1 LYS A 38 -14.922 -6.941 22.517 1.00 0.00 H ATOM 355 HZ2 LYS A 38 -15.583 -7.224 20.977 1.00 0.00 H ATOM 356 HZ3 LYS A 38 -15.537 -8.476 22.125 1.00 0.00 H ATOM 357 H LYS A 38 -9.524 -4.014 18.374 1.00 0.00 H ATOM 358 N GLN A 39 -9.340 -8.072 17.958 1.00 3.02 N ATOM 359 CA GLN A 39 -9.638 -8.909 16.802 1.00 3.13 C ATOM 360 C GLN A 39 -10.286 -10.223 17.275 1.00 3.49 C ATOM 361 O GLN A 39 -9.609 -11.088 17.804 1.00 3.60 O ATOM 362 CB GLN A 39 -8.361 -9.192 16.024 1.00 3.00 C ATOM 363 CG GLN A 39 -8.673 -9.985 14.716 1.00 3.15 C ATOM 364 CD GLN A 39 -7.506 -9.967 13.801 1.00 6.74 C ATOM 365 OE1 GLN A 39 -6.375 -10.063 14.253 1.00 6.96 O ATOM 366 NE2 GLN A 39 -7.761 -9.792 12.490 1.00 5.54 N ATOM 367 HE22 GLN A 39 -8.743 -9.716 12.157 1.00 0.00 H ATOM 368 HE21 GLN A 39 -6.976 -9.733 11.811 1.00 0.00 H ATOM 369 H GLN A 39 -8.870 -8.486 18.788 1.00 0.00 H ATOM 370 N ARG A 40 -11.584 -10.372 17.043 1.00 5.13 N ATOM 371 CA ARG A 40 -12.266 -11.616 17.426 1.00 8.62 C ATOM 372 C ARG A 40 -11.798 -12.736 16.533 1.00 10.59 C ATOM 373 O ARG A 40 -11.376 -12.480 15.415 1.00 9.44 O ATOM 374 CB ARG A 40 -13.772 -11.424 17.345 1.00 8.72 C ATOM 375 CG ARG A 40 -14.287 -10.598 18.527 1.00 11.54 C ATOM 376 CD ARG A 40 -15.782 -10.576 18.625 1.00 17.30 C ATOM 377 NE ARG A 40 -16.306 -11.865 19.050 1.00 24.13 N ATOM 378 CZ ARG A 40 -16.987 -12.720 18.297 1.00 32.00 C ATOM 379 NH1 ARG A 40 -17.259 -12.445 17.025 1.00 37.30 N ATOM 380 NH2 ARG A 40 -17.396 -13.863 18.833 1.00 31.00 N ATOM 381 HE ARG A 40 -16.130 -12.143 20.037 1.00 0.00 H ATOM 382 HH12 ARG A 40 -17.794 -13.126 16.449 1.00 0.00 H ATOM 383 HH11 ARG A 40 -16.937 -11.549 16.606 1.00 0.00 H ATOM 384 HH22 ARG A 40 -17.931 -14.545 18.258 1.00 0.00 H ATOM 385 HH21 ARG A 40 -17.182 -14.077 19.828 1.00 0.00 H ATOM 386 H ARG A 40 -12.120 -9.606 16.589 1.00 0.00 H ATOM 387 N PRO A 41 -11.866 -13.991 17.017 1.00 11.34 N ATOM 388 CA PRO A 41 -11.241 -15.105 16.290 1.00 14.06 C ATOM 389 C PRO A 41 -11.717 -15.217 14.828 1.00 17.40 C ATOM 390 O PRO A 41 -12.907 -15.318 14.532 1.00 17.75 O ATOM 391 CB PRO A 41 -11.640 -16.341 17.126 1.00 14.89 C ATOM 392 CG PRO A 41 -11.770 -15.777 18.547 1.00 16.87 C ATOM 393 CD PRO A 41 -12.461 -14.436 18.305 1.00 14.52 C ATOM 394 N GLU A 42 -10.737 -15.153 13.930 1.00 13.98 N ATOM 395 CA GLU A 42 -10.944 -15.206 12.481 1.00 17.10 C ATOM 396 C GLU A 42 -11.693 -13.982 11.943 1.00 16.84 C ATOM 397 O GLU A 42 -11.975 -13.930 10.749 1.00 14.47 O ATOM 398 CB GLU A 42 -11.669 -16.502 12.089 1.00 19.49 C ATOM 399 CG GLU A 42 -10.819 -17.773 12.239 1.00 23.97 C ATOM 400 CD GLU A 42 -10.813 -18.350 13.648 1.00 35.41 C ATOM 401 OE1 GLU A 42 -11.903 -18.575 14.231 1.00 39.61 O ATOM 402 OE2 GLU A 42 -9.708 -18.597 14.183 1.00 41.67 O ATOM 403 H GLU A 42 -9.762 -15.059 14.279 1.00 0.00 H ATOM 404 N GLN A 43 -11.978 -12.979 12.786 1.00 11.90 N ATOM 405 CA GLN A 43 -12.714 -11.776 12.342 1.00 11.58 C ATOM 406 C GLN A 43 -11.757 -10.622 12.018 1.00 10.68 C ATOM 407 O GLN A 43 -10.528 -10.809 11.997 1.00 9.78 O ATOM 408 CB GLN A 43 -13.731 -11.349 13.407 1.00 11.69 C ATOM 409 CG GLN A 43 -14.594 -12.541 13.887 1.00 13.94 C ATOM 410 CD GLN A 43 -15.315 -13.248 12.765 1.00 14.21 C ATOM 411 OE1 GLN A 43 -16.061 -12.623 12.024 1.00 18.39 O ATOM 412 NE2 GLN A 43 -15.079 -14.560 12.619 1.00 12.45 N ATOM 413 HE22 GLN A 43 -14.436 -15.049 13.274 1.00 0.00 H ATOM 414 HE21 GLN A 43 -15.539 -15.089 11.850 1.00 0.00 H ATOM 415 H GLN A 43 -11.673 -13.049 13.778 1.00 0.00 H ATOM 416 N GLY A 44 -12.340 -9.452 11.793 1.00 10.86 N ATOM 417 CA GLY A 44 -11.578 -8.293 11.452 1.00 10.89 C ATOM 418 C GLY A 44 -11.182 -7.513 12.696 1.00 10.66 C ATOM 419 O GLY A 44 -11.470 -7.878 13.858 1.00 14.12 O ATOM 420 H GLY A 44 -13.375 -9.377 11.866 1.00 0.00 H ATOM 421 N LEU A 45 -10.542 -6.408 12.412 1.00 13.22 N ATOM 422 CA LEU A 45 -9.970 -5.503 13.413 1.00 6.98 C ATOM 423 C LEU A 45 -10.946 -4.427 13.862 1.00 7.92 C ATOM 424 O LEU A 45 -11.709 -3.858 13.049 1.00 7.38 O ATOM 425 CB LEU A 45 -8.721 -4.897 12.802 1.00 8.04 C ATOM 426 CG LEU A 45 -7.602 -5.897 12.543 1.00 10.09 C ATOM 427 CD1 LEU A 45 -6.546 -5.298 11.618 1.00 10.66 C ATOM 428 CD2 LEU A 45 -7.050 -6.138 13.919 1.00 11.11 C ATOM 429 H LEU A 45 -10.432 -6.155 11.409 1.00 0.00 H ATOM 430 N GLU A 46 -10.940 -4.107 15.159 1.00 2.80 N ATOM 431 CA GLU A 46 -11.703 -2.986 15.708 1.00 2.83 C ATOM 432 C GLU A 46 -10.777 -2.127 16.524 1.00 4.58 C ATOM 433 O GLU A 46 -9.937 -2.644 17.253 1.00 7.49 O ATOM 434 CB GLU A 46 -12.844 -3.450 16.610 1.00 10.52 C ATOM 435 CG GLU A 46 -13.677 -4.527 15.978 1.00 17.25 C ATOM 436 CD GLU A 46 -14.674 -5.112 16.976 1.00 21.84 C ATOM 437 OE1 GLU A 46 -14.504 -6.298 17.374 1.00 28.83 O ATOM 438 OE2 GLU A 46 -15.623 -4.383 17.318 1.00 21.74 O ATOM 439 H GLU A 46 -10.366 -4.682 15.809 1.00 0.00 H ATOM 440 N TRP A 47 -10.947 -0.823 16.430 1.00 2.73 N ATOM 441 CA TRP A 47 -10.229 0.065 17.334 1.00 2.71 C ATOM 442 C TRP A 47 -10.997 0.288 18.625 1.00 4.32 C ATOM 443 O TRP A 47 -12.191 0.618 18.616 1.00 4.67 O ATOM 444 CB TRP A 47 -9.974 1.400 16.597 1.00 2.73 C ATOM 445 CG TRP A 47 -9.220 2.498 17.352 1.00 2.79 C ATOM 446 CD1 TRP A 47 -7.818 2.658 17.466 1.00 3.69 C ATOM 447 CD2 TRP A 47 -9.786 3.645 17.963 1.00 3.03 C ATOM 448 NE1 TRP A 47 -7.537 3.809 18.143 1.00 2.99 N ATOM 449 CE2 TRP A 47 -8.721 4.438 18.448 1.00 3.07 C ATOM 450 CE3 TRP A 47 -11.102 4.078 18.165 1.00 3.27 C ATOM 451 CZ2 TRP A 47 -8.930 5.655 19.087 1.00 3.75 C ATOM 452 CZ3 TRP A 47 -11.300 5.321 18.823 1.00 3.55 C ATOM 453 CH2 TRP A 47 -10.226 6.059 19.280 1.00 6.76 C ATOM 454 HE1 TRP A 47 -6.586 4.153 18.387 1.00 0.00 H ATOM 455 H TRP A 47 -11.591 -0.430 15.714 1.00 0.00 H ATOM 456 N ILE A 48 -10.327 0.077 19.760 1.00 3.05 N ATOM 457 CA ILE A 48 -10.954 0.252 21.053 1.00 3.10 C ATOM 458 C ILE A 48 -10.887 1.710 21.540 1.00 3.25 C ATOM 459 O ILE A 48 -11.823 2.238 22.129 1.00 3.51 O ATOM 460 CB ILE A 48 -10.273 -0.659 22.095 1.00 3.08 C ATOM 461 CG1 ILE A 48 -10.570 -2.088 21.732 1.00 3.06 C ATOM 462 CG2 ILE A 48 -10.780 -0.370 23.578 1.00 3.36 C ATOM 463 CD1 ILE A 48 -9.589 -3.144 22.445 1.00 3.03 C ATOM 464 H ILE A 48 -9.331 -0.220 19.714 1.00 0.00 H ATOM 465 N GLY A 49 -9.737 2.319 21.317 1.00 3.14 N ATOM 466 CA GLY A 49 -9.496 3.664 21.809 1.00 3.34 C ATOM 467 C GLY A 49 -8.025 3.968 21.940 1.00 3.27 C ATOM 468 O GLY A 49 -7.179 3.204 21.531 1.00 3.06 O ATOM 469 H GLY A 49 -8.993 1.828 20.781 1.00 0.00 H ATOM 470 N ARG A 50 -7.717 5.142 22.470 1.00 4.29 N ATOM 471 CA ARG A 50 -6.326 5.555 22.618 1.00 5.21 C ATOM 472 C ARG A 50 -6.177 6.280 23.937 1.00 5.67 C ATOM 473 O ARG A 50 -7.151 6.834 24.459 1.00 5.11 O ATOM 474 CB ARG A 50 -5.883 6.520 21.492 1.00 3.72 C ATOM 475 CG ARG A 50 -6.711 7.856 21.450 1.00 4.05 C ATOM 476 CD ARG A 50 -6.288 8.698 20.193 1.00 6.61 C ATOM 477 NE ARG A 50 -7.151 9.863 20.121 1.00 11.03 N ATOM 478 CZ ARG A 50 -8.204 9.987 19.318 1.00 8.69 C ATOM 479 NH1 ARG A 50 -8.481 9.045 18.408 1.00 7.63 N ATOM 480 NH2 ARG A 50 -8.949 11.088 19.401 1.00 11.27 N ATOM 481 HE ARG A 50 -6.928 10.664 20.746 1.00 0.00 H ATOM 482 HH12 ARG A 50 -9.307 9.151 17.785 1.00 0.00 H ATOM 483 HH11 ARG A 50 -7.870 8.207 18.324 1.00 0.00 H ATOM 484 HH22 ARG A 50 -9.776 11.204 18.782 1.00 0.00 H ATOM 485 HH21 ARG A 50 -8.703 11.832 20.085 1.00 0.00 H ATOM 486 H ARG A 50 -8.477 5.778 22.785 1.00 0.00 H ATOM 487 N ILE A 51 -4.970 6.251 24.477 1.00 3.92 N ATOM 488 CA ILE A 51 -4.655 7.009 25.676 1.00 4.28 C ATOM 489 C ILE A 51 -3.418 7.844 25.388 1.00 4.46 C ATOM 490 O ILE A 51 -2.511 7.401 24.690 1.00 4.28 O ATOM 491 CB ILE A 51 -4.413 6.099 26.894 1.00 4.31 C ATOM 492 CG1 ILE A 51 -4.067 6.942 28.155 1.00 4.75 C ATOM 493 CG2 ILE A 51 -3.304 5.058 26.592 1.00 6.69 C ATOM 494 CD1 ILE A 51 -4.123 6.121 29.470 1.00 4.86 C ATOM 495 H ILE A 51 -4.229 5.672 24.033 1.00 0.00 H ATOM 496 N ASP A 52 -3.397 9.053 25.927 1.00 4.88 N ATOM 497 CA ASP A 52 -2.224 9.907 25.892 1.00 5.19 C ATOM 498 C ASP A 52 -1.547 9.711 27.233 1.00 7.81 C ATOM 499 O ASP A 52 -2.010 10.265 28.227 1.00 7.84 O ATOM 500 CB ASP A 52 -2.661 11.366 25.716 1.00 5.61 C ATOM 501 CG ASP A 52 -1.498 12.335 25.667 1.00 18.77 C ATOM 502 OD1 ASP A 52 -0.379 11.974 26.142 1.00 19.04 O ATOM 503 OD2 ASP A 52 -1.720 13.474 25.142 1.00 14.89 O ATOM 504 H ASP A 52 -4.256 9.405 26.395 1.00 0.00 H ATOM 505 N PRO A 53 -0.437 8.967 27.276 1.00 5.32 N ATOM 506 CA PRO A 53 0.157 8.669 28.574 1.00 5.58 C ATOM 507 C PRO A 53 0.674 9.880 29.306 1.00 6.16 C ATOM 508 O PRO A 53 0.797 9.785 30.517 1.00 6.44 O ATOM 509 CB PRO A 53 1.319 7.747 28.218 1.00 5.44 C ATOM 510 CG PRO A 53 0.836 7.092 26.920 1.00 4.91 C ATOM 511 CD PRO A 53 0.238 8.254 26.178 1.00 4.99 C ATOM 512 N ALA A 54 1.004 10.968 28.605 1.00 6.40 N ATOM 513 CA ALA A 54 1.551 12.146 29.315 1.00 7.31 C ATOM 514 C ALA A 54 0.543 12.720 30.315 1.00 8.75 C ATOM 515 O ALA A 54 0.911 13.185 31.402 1.00 9.40 O ATOM 516 CB ALA A 54 1.983 13.218 28.319 1.00 9.90 C ATOM 517 H ALA A 54 0.878 10.987 27.573 1.00 0.00 H ATOM 518 N ASN A 55 -0.726 12.695 29.946 1.00 7.13 N ATOM 519 CA ASN A 55 -1.745 13.324 30.823 1.00 8.35 C ATOM 520 C ASN A 55 -2.858 12.394 31.234 1.00 10.12 C ATOM 521 O ASN A 55 -3.736 12.790 32.017 1.00 10.35 O ATOM 522 CB ASN A 55 -2.362 14.604 30.167 1.00 11.68 C ATOM 523 CG ASN A 55 -2.914 14.356 28.773 1.00 12.50 C ATOM 524 OD1 ASN A 55 -3.270 13.243 28.431 1.00 9.69 O ATOM 525 ND2 ASN A 55 -3.033 15.407 27.975 1.00 19.26 N ATOM 526 HD22 ASN A 55 -2.719 16.344 28.299 1.00 0.00 H ATOM 527 HD21 ASN A 55 -3.441 15.295 27.025 1.00 0.00 H ATOM 528 H ASN A 55 -1.007 12.241 29.053 1.00 0.00 H ATOM 529 N GLY A 56 -2.796 11.144 30.777 1.00 6.60 N ATOM 530 CA GLY A 56 -3.840 10.196 31.079 1.00 10.92 C ATOM 531 C GLY A 56 -5.124 10.376 30.313 1.00 11.05 C ATOM 532 O GLY A 56 -6.055 9.611 30.528 1.00 9.15 O ATOM 533 H GLY A 56 -1.986 10.849 30.196 1.00 0.00 H ATOM 534 N TYR A 57 -5.231 11.395 29.463 1.00 6.29 N ATOM 535 CA TYR A 57 -6.448 11.562 28.633 1.00 6.17 C ATOM 536 C TYR A 57 -6.745 10.342 27.729 1.00 7.73 C ATOM 537 O TYR A 57 -5.843 9.783 27.093 1.00 5.28 O ATOM 538 CB TYR A 57 -6.329 12.793 27.738 1.00 14.68 C ATOM 539 CG TYR A 57 -7.263 12.814 26.517 1.00 34.06 C ATOM 540 CD1 TYR A 57 -8.562 13.350 26.605 1.00 41.15 C ATOM 541 CD2 TYR A 57 -6.852 12.297 25.274 1.00 40.57 C ATOM 542 CE1 TYR A 57 -9.420 13.368 25.497 1.00 43.10 C ATOM 543 CE2 TYR A 57 -7.709 12.306 24.158 1.00 44.49 C ATOM 544 CZ TYR A 57 -8.988 12.845 24.278 1.00 46.14 C ATOM 545 OH TYR A 57 -9.831 12.869 23.177 1.00 50.05 O ATOM 546 HH TYR A 57 -10.694 13.282 23.432 1.00 0.00 H ATOM 547 H TYR A 57 -4.453 12.081 29.380 1.00 0.00 H ATOM 548 N THR A 58 -8.013 9.954 27.676 1.00 6.33 N ATOM 549 CA THR A 58 -8.445 8.792 26.896 1.00 5.93 C ATOM 550 C THR A 58 -9.617 9.142 25.959 1.00 6.17 C ATOM 551 O THR A 58 -10.447 10.011 26.279 1.00 5.70 O ATOM 552 CB THR A 58 -8.896 7.629 27.818 1.00 11.75 C ATOM 553 OG1 THR A 58 -9.912 8.095 28.710 1.00 7.39 O ATOM 554 CG2 THR A 58 -7.718 7.017 28.634 1.00 7.18 C ATOM 555 HG1 THR A 58 -10.199 7.352 29.298 1.00 0.00 H ATOM 556 H THR A 58 -8.725 10.494 28.207 1.00 0.00 H ATOM 557 N LYS A 59 -9.692 8.445 24.832 1.00 4.72 N ATOM 558 CA LYS A 59 -10.831 8.512 23.926 1.00 6.79 C ATOM 559 C LYS A 59 -11.146 7.073 23.547 1.00 4.80 C ATOM 560 O LYS A 59 -10.254 6.376 23.072 1.00 4.07 O ATOM 561 CB LYS A 59 -10.523 9.366 22.694 1.00 12.24 C ATOM 562 CG LYS A 59 -11.657 9.448 21.652 1.00 18.89 C ATOM 563 CD LYS A 59 -12.789 10.294 22.185 1.00 20.93 C ATOM 564 CE LYS A 59 -13.912 10.515 21.153 1.00 23.32 C ATOM 565 NZ LYS A 59 -13.601 11.549 20.100 1.00 26.43 N ATOM 566 HZ1 LYS A 59 -13.426 12.466 20.558 1.00 0.00 H ATOM 567 HZ2 LYS A 59 -12.755 11.258 19.569 1.00 0.00 H ATOM 568 HZ3 LYS A 59 -14.408 11.633 19.450 1.00 0.00 H ATOM 569 H LYS A 59 -8.899 7.820 24.583 1.00 0.00 H ATOM 570 N TYR A 60 -12.388 6.623 23.806 1.00 6.67 N ATOM 571 CA TYR A 60 -12.806 5.240 23.458 1.00 4.25 C ATOM 572 C TYR A 60 -13.787 5.277 22.292 1.00 4.29 C ATOM 573 O TYR A 60 -14.539 6.266 22.180 1.00 4.81 O ATOM 574 CB TYR A 60 -13.523 4.558 24.639 1.00 4.45 C ATOM 575 CG TYR A 60 -12.695 4.469 25.919 1.00 12.40 C ATOM 576 CD1 TYR A 60 -12.743 5.460 26.875 1.00 15.57 C ATOM 577 CD2 TYR A 60 -11.864 3.412 26.144 1.00 16.85 C ATOM 578 CE1 TYR A 60 -11.978 5.390 28.037 1.00 14.92 C ATOM 579 CE2 TYR A 60 -11.098 3.327 27.315 1.00 12.18 C ATOM 580 CZ TYR A 60 -11.142 4.311 28.230 1.00 8.79 C ATOM 581 OH TYR A 60 -10.384 4.216 29.374 1.00 5.37 O ATOM 582 HH TYR A 60 -10.533 5.018 29.935 1.00 0.00 H ATOM 583 H TYR A 60 -13.073 7.260 24.261 1.00 0.00 H ATOM 584 N ALA A 61 -13.797 4.220 21.484 1.00 4.03 N ATOM 585 CA ALA A 61 -14.881 3.966 20.567 1.00 4.13 C ATOM 586 C ALA A 61 -16.107 3.722 21.422 1.00 4.75 C ATOM 587 O ALA A 61 -16.016 3.053 22.440 1.00 4.48 O ATOM 588 CB ALA A 61 -14.592 2.756 19.670 1.00 5.49 C ATOM 589 H ALA A 61 -12.998 3.556 21.515 1.00 0.00 H ATOM 590 N PRO A 62 -17.265 4.273 21.031 1.00 4.81 N ATOM 591 CA PRO A 62 -18.447 4.156 21.891 1.00 5.22 C ATOM 592 C PRO A 62 -18.785 2.714 22.306 1.00 5.20 C ATOM 593 O PRO A 62 -19.245 2.505 23.446 1.00 5.86 O ATOM 594 CB PRO A 62 -19.584 4.731 21.010 1.00 10.20 C ATOM 595 CG PRO A 62 -18.856 5.742 20.081 1.00 14.29 C ATOM 596 CD PRO A 62 -17.513 5.070 19.803 1.00 13.69 C ATOM 597 N LYS A 63 -18.563 1.724 21.452 1.00 5.36 N ATOM 598 CA LYS A 63 -19.000 0.398 21.886 1.00 8.62 C ATOM 599 C LYS A 63 -18.113 -0.134 23.008 1.00 7.18 C ATOM 600 O LYS A 63 -18.487 -1.117 23.672 1.00 7.37 O ATOM 601 CB LYS A 63 -19.031 -0.590 20.729 1.00 17.09 C ATOM 602 CG LYS A 63 -17.709 -1.084 20.295 1.00 18.01 C ATOM 603 CD LYS A 63 -17.839 -2.132 19.165 1.00 27.26 C ATOM 604 CE LYS A 63 -18.381 -3.452 19.670 1.00 24.00 C ATOM 605 NZ LYS A 63 -18.306 -4.472 18.595 1.00 30.38 N ATOM 606 HZ1 LYS A 63 -18.871 -4.157 17.780 1.00 0.00 H ATOM 607 HZ2 LYS A 63 -17.315 -4.596 18.305 1.00 0.00 H ATOM 608 HZ3 LYS A 63 -18.680 -5.375 18.949 1.00 0.00 H ATOM 609 H LYS A 63 -18.106 1.881 20.531 1.00 0.00 H ATOM 610 N PHE A 64 -16.943 0.480 23.247 1.00 5.72 N ATOM 611 CA PHE A 64 -16.061 0.015 24.323 1.00 4.63 C ATOM 612 C PHE A 64 -16.018 0.968 25.516 1.00 9.45 C ATOM 613 O PHE A 64 -15.227 0.765 26.446 1.00 8.82 O ATOM 614 CB PHE A 64 -14.620 -0.227 23.796 1.00 4.88 C ATOM 615 CG PHE A 64 -14.552 -1.277 22.735 1.00 5.25 C ATOM 616 CD1 PHE A 64 -14.667 -2.602 23.060 1.00 8.71 C ATOM 617 CD2 PHE A 64 -14.425 -0.928 21.398 1.00 3.87 C ATOM 618 CE1 PHE A 64 -14.638 -3.555 22.097 1.00 9.54 C ATOM 619 CE2 PHE A 64 -14.391 -1.884 20.419 1.00 7.32 C ATOM 620 CZ PHE A 64 -14.513 -3.206 20.765 1.00 11.63 C ATOM 621 H PHE A 64 -16.659 1.293 22.664 1.00 0.00 H ATOM 622 N GLN A 65 -16.881 1.990 25.497 1.00 7.06 N ATOM 623 CA GLN A 65 -16.905 3.044 26.516 1.00 10.50 C ATOM 624 C GLN A 65 -17.090 2.482 27.916 1.00 13.74 C ATOM 625 O GLN A 65 -16.504 2.996 28.861 1.00 13.23 O ATOM 626 CB GLN A 65 -18.013 4.046 26.200 1.00 13.33 C ATOM 627 CG GLN A 65 -18.078 5.220 27.159 1.00 20.55 C ATOM 628 CD GLN A 65 -16.750 5.957 27.218 1.00 23.79 C ATOM 629 OE1 GLN A 65 -16.268 6.501 26.197 1.00 20.00 O ATOM 630 NE2 GLN A 65 -16.122 5.940 28.404 1.00 23.15 N ATOM 631 HE22 GLN A 65 -16.566 5.474 29.221 1.00 0.00 H ATOM 632 HE21 GLN A 65 -15.191 6.392 28.506 1.00 0.00 H ATOM 633 H GLN A 65 -17.570 2.039 24.720 1.00 0.00 H ATOM 634 N ASP A 66 -17.914 1.444 28.035 1.00 15.60 N ATOM 635 CA ASP A 66 -18.191 0.813 29.336 1.00 18.08 C ATOM 636 C ASP A 66 -17.440 -0.491 29.587 1.00 19.59 C ATOM 637 O ASP A 66 -17.579 -1.102 30.641 1.00 30.38 O ATOM 638 CB ASP A 66 -19.679 0.523 29.443 1.00 23.26 C ATOM 639 CG ASP A 66 -20.496 1.767 29.395 1.00 34.26 C ATOM 640 OD1 ASP A 66 -20.012 2.776 29.963 1.00 34.85 O ATOM 641 OD2 ASP A 66 -21.604 1.744 28.793 1.00 38.81 O ATOM 642 H ASP A 66 -18.376 1.067 27.183 1.00 0.00 H ATOM 643 N LYS A 67 -16.711 -0.944 28.590 1.00 10.12 N ATOM 644 CA LYS A 67 -16.021 -2.236 28.634 1.00 9.81 C ATOM 645 C LYS A 67 -14.565 -2.050 28.984 1.00 8.28 C ATOM 646 O LYS A 67 -13.986 -2.827 29.754 1.00 10.96 O ATOM 647 CB LYS A 67 -16.208 -2.933 27.279 1.00 9.99 C ATOM 648 CG LYS A 67 -15.429 -4.228 27.035 1.00 12.21 C ATOM 649 CD LYS A 67 -15.839 -5.358 27.973 1.00 10.90 C ATOM 650 CE LYS A 67 -17.328 -5.581 27.875 1.00 11.26 C ATOM 651 NZ LYS A 67 -17.785 -6.834 28.660 1.00 8.89 N ATOM 652 HZ1 LYS A 67 -17.306 -7.675 28.278 1.00 0.00 H ATOM 653 HZ2 LYS A 67 -17.540 -6.721 29.664 1.00 0.00 H ATOM 654 HZ3 LYS A 67 -18.814 -6.946 28.563 1.00 0.00 H ATOM 655 H LYS A 67 -16.621 -0.360 27.734 1.00 0.00 H ATOM 656 N ALA A 68 -13.944 -1.050 28.373 1.00 5.04 N ATOM 657 CA ALA A 68 -12.492 -0.899 28.442 1.00 4.47 C ATOM 658 C ALA A 68 -12.120 0.227 29.372 1.00 7.94 C ATOM 659 O ALA A 68 -12.817 1.235 29.409 1.00 6.18 O ATOM 660 CB ALA A 68 -11.909 -0.595 27.019 1.00 5.57 C ATOM 661 H ALA A 68 -14.502 -0.358 27.833 1.00 0.00 H ATOM 662 N THR A 69 -11.000 0.080 30.074 1.00 4.65 N ATOM 663 CA THR A 69 -10.394 1.187 30.786 1.00 4.80 C ATOM 664 C THR A 69 -8.890 1.178 30.469 1.00 7.22 C ATOM 665 O THR A 69 -8.175 0.193 30.696 1.00 4.51 O ATOM 666 CB THR A 69 -10.627 1.078 32.313 1.00 6.67 C ATOM 667 OG1 THR A 69 -12.039 0.895 32.582 1.00 8.01 O ATOM 668 CG2 THR A 69 -10.090 2.338 33.029 1.00 7.20 C ATOM 669 HG1 THR A 69 -12.353 0.065 32.142 1.00 0.00 H ATOM 670 H THR A 69 -10.547 -0.855 30.113 1.00 0.00 H ATOM 671 N MET A 70 -8.406 2.253 29.879 1.00 4.47 N ATOM 672 CA MET A 70 -7.006 2.364 29.523 1.00 4.31 C ATOM 673 C MET A 70 -6.265 3.196 30.568 1.00 4.63 C ATOM 674 O MET A 70 -6.764 4.281 31.002 1.00 4.92 O ATOM 675 CB MET A 70 -6.854 3.033 28.129 1.00 4.08 C ATOM 676 CG MET A 70 -7.487 2.134 27.009 1.00 3.78 C ATOM 677 SD MET A 70 -7.318 2.991 25.447 1.00 6.42 S ATOM 678 CE MET A 70 -8.484 4.340 25.638 1.00 23.42 C ATOM 679 H MET A 70 -9.047 3.043 29.663 1.00 0.00 H ATOM 680 N THR A 71 -5.086 2.734 30.957 1.00 4.64 N ATOM 681 CA THR A 71 -4.215 3.535 31.834 1.00 4.98 C ATOM 682 C THR A 71 -2.779 3.389 31.377 1.00 4.88 C ATOM 683 O THR A 71 -2.484 2.560 30.533 1.00 4.57 O ATOM 684 CB THR A 71 -4.269 3.127 33.307 1.00 7.89 C ATOM 685 OG1 THR A 71 -4.117 1.714 33.402 1.00 6.10 O ATOM 686 CG2 THR A 71 -5.620 3.500 33.951 1.00 8.72 C ATOM 687 HG1 THR A 71 -4.849 1.270 32.905 1.00 0.00 H ATOM 688 H THR A 71 -4.772 1.795 30.639 1.00 0.00 H ATOM 689 N ALA A 72 -1.899 4.250 31.883 1.00 5.20 N ATOM 690 CA ALA A 72 -0.507 4.119 31.461 1.00 5.18 C ATOM 691 C ALA A 72 0.391 4.540 32.583 1.00 7.10 C ATOM 692 O ALA A 72 0.017 5.398 33.388 1.00 11.27 O ATOM 693 CB ALA A 72 -0.222 4.941 30.205 1.00 6.21 C ATOM 694 H ALA A 72 -2.192 4.989 32.554 1.00 0.00 H ATOM 695 N ASP A 73 1.584 3.960 32.649 1.00 5.75 N ATOM 696 CA ASP A 73 2.566 4.369 33.661 1.00 7.04 C ATOM 697 C ASP A 73 3.807 4.857 32.933 1.00 7.95 C ATOM 698 O ASP A 73 4.544 4.046 32.356 1.00 8.42 O ATOM 699 CB ASP A 73 2.882 3.204 34.574 1.00 11.94 C ATOM 700 CG ASP A 73 3.894 3.566 35.653 1.00 25.22 C ATOM 701 OD1 ASP A 73 3.558 4.383 36.541 1.00 32.02 O ATOM 702 OD2 ASP A 73 5.015 3.034 35.610 1.00 26.47 O ATOM 703 H ASP A 73 1.826 3.206 31.975 1.00 0.00 H ATOM 704 N THR A 74 4.020 6.166 32.915 1.00 6.64 N ATOM 705 CA THR A 74 5.127 6.713 32.154 1.00 9.96 C ATOM 706 C THR A 74 6.475 6.254 32.752 1.00 11.25 C ATOM 707 O THR A 74 7.440 6.048 32.014 1.00 12.04 O ATOM 708 CB THR A 74 5.078 8.258 32.087 1.00 13.53 C ATOM 709 OG1 THR A 74 4.973 8.753 33.409 1.00 15.16 O ATOM 710 CG2 THR A 74 3.812 8.723 31.302 1.00 10.71 C ATOM 711 HG1 THR A 74 4.146 8.403 33.827 1.00 0.00 H ATOM 712 H THR A 74 3.392 6.801 33.448 1.00 0.00 H ATOM 713 N SER A 75 6.573 6.027 34.058 1.00 9.34 N ATOM 714 CA SER A 75 7.867 5.626 34.588 1.00 10.16 C ATOM 715 C SER A 75 8.345 4.282 34.089 1.00 10.08 C ATOM 716 O SER A 75 9.549 4.102 33.885 1.00 13.36 O ATOM 717 CB SER A 75 7.839 5.609 36.115 1.00 8.41 C ATOM 718 OG SER A 75 7.835 6.958 36.562 1.00 8.88 O ATOM 719 HG SER A 75 7.817 6.976 37.552 1.00 0.00 H ATOM 720 H SER A 75 5.748 6.133 34.683 1.00 0.00 H ATOM 721 N SER A 76 7.426 3.332 33.918 1.00 8.29 N ATOM 722 CA SER A 76 7.788 1.999 33.436 1.00 11.06 C ATOM 723 C SER A 76 7.535 1.860 31.937 1.00 13.77 C ATOM 724 O SER A 76 7.653 0.769 31.391 1.00 9.35 O ATOM 725 CB SER A 76 6.994 0.922 34.159 1.00 12.59 C ATOM 726 OG SER A 76 5.605 1.152 33.978 1.00 11.87 O ATOM 727 HG SER A 76 5.368 2.040 34.347 1.00 0.00 H ATOM 728 H SER A 76 6.430 3.543 34.132 1.00 0.00 H ATOM 729 N ASN A 77 7.153 2.957 31.306 1.00 6.31 N ATOM 730 CA ASN A 77 6.766 2.967 29.882 1.00 5.97 C ATOM 731 C ASN A 77 5.824 1.817 29.555 1.00 5.62 C ATOM 732 O ASN A 77 6.031 1.101 28.562 1.00 5.27 O ATOM 733 CB ASN A 77 7.998 2.903 28.960 1.00 9.50 C ATOM 734 CG ASN A 77 8.605 4.233 28.767 1.00 14.50 C ATOM 735 OD1 ASN A 77 7.923 5.158 28.359 1.00 8.90 O ATOM 736 ND2 ASN A 77 9.887 4.384 29.162 1.00 19.85 N ATOM 737 HD22 ASN A 77 10.426 3.563 29.502 1.00 0.00 H ATOM 738 HD21 ASN A 77 10.335 5.322 29.126 1.00 0.00 H ATOM 739 H ASN A 77 7.124 3.851 31.836 1.00 0.00 H ATOM 740 N THR A 78 4.771 1.665 30.360 1.00 5.34 N ATOM 741 CA THR A 78 3.880 0.537 30.179 1.00 5.01 C ATOM 742 C THR A 78 2.467 1.044 30.088 1.00 4.79 C ATOM 743 O THR A 78 2.075 1.932 30.842 1.00 5.02 O ATOM 744 CB THR A 78 4.011 -0.516 31.357 1.00 5.84 C ATOM 745 OG1 THR A 78 5.339 -1.037 31.355 1.00 8.86 O ATOM 746 CG2 THR A 78 3.015 -1.699 31.203 1.00 8.50 C ATOM 747 HG1 THR A 78 5.435 -1.697 32.087 1.00 0.00 H ATOM 748 H THR A 78 4.590 2.355 31.116 1.00 0.00 H ATOM 749 N ALA A 79 1.673 0.451 29.201 1.00 5.41 N ATOM 750 CA ALA A 79 0.257 0.803 29.102 1.00 4.25 C ATOM 751 C ALA A 79 -0.613 -0.409 29.469 1.00 4.17 C ATOM 752 O ALA A 79 -0.199 -1.543 29.332 1.00 4.13 O ATOM 753 CB ALA A 79 -0.064 1.276 27.662 1.00 5.46 C ATOM 754 H ALA A 79 2.065 -0.275 28.568 1.00 0.00 H ATOM 755 N TYR A 80 -1.785 -0.162 30.005 1.00 4.23 N ATOM 756 CA TYR A 80 -2.666 -1.245 30.482 1.00 4.25 C ATOM 757 C TYR A 80 -4.025 -1.111 29.888 1.00 4.08 C ATOM 758 O TYR A 80 -4.536 -0.025 29.767 1.00 4.10 O ATOM 759 CB TYR A 80 -2.829 -1.195 32.004 1.00 4.64 C ATOM 760 CG TYR A 80 -1.503 -1.344 32.711 1.00 4.89 C ATOM 761 CD1 TYR A 80 -1.039 -2.616 33.028 1.00 6.81 C ATOM 762 CD2 TYR A 80 -0.737 -0.238 33.061 1.00 5.10 C ATOM 763 CE1 TYR A 80 0.142 -2.784 33.687 1.00 6.95 C ATOM 764 CE2 TYR A 80 0.503 -0.404 33.715 1.00 6.54 C ATOM 765 CZ TYR A 80 0.908 -1.689 34.042 1.00 9.70 C ATOM 766 OH TYR A 80 2.086 -1.948 34.716 1.00 14.43 O ATOM 767 HH TYR A 80 2.182 -2.925 34.847 1.00 0.00 H ATOM 768 H TYR A 80 -2.102 0.824 30.096 1.00 0.00 H ATOM 769 N LEU A 81 -4.639 -2.247 29.623 1.00 4.00 N ATOM 770 CA LEU A 81 -6.013 -2.284 29.150 1.00 3.92 C ATOM 771 C LEU A 81 -6.798 -3.172 30.097 1.00 4.19 C ATOM 772 O LEU A 81 -6.552 -4.372 30.157 1.00 4.23 O ATOM 773 CB LEU A 81 -6.077 -2.810 27.698 1.00 3.61 C ATOM 774 CG LEU A 81 -7.529 -3.002 27.198 1.00 3.60 C ATOM 775 CD1 LEU A 81 -8.333 -1.723 27.052 1.00 3.63 C ATOM 776 CD2 LEU A 81 -7.558 -3.817 25.861 1.00 3.38 C ATOM 777 H LEU A 81 -4.126 -3.142 29.756 1.00 0.00 H ATOM 778 N GLN A 82 -7.782 -2.603 30.784 1.00 4.41 N ATOM 779 CA GLN A 82 -8.614 -3.390 31.684 1.00 4.73 C ATOM 780 C GLN A 82 -9.946 -3.682 31.000 1.00 7.22 C ATOM 781 O GLN A 82 -10.528 -2.776 30.407 1.00 4.84 O ATOM 782 CB GLN A 82 -8.832 -2.605 32.989 1.00 5.08 C ATOM 783 CG GLN A 82 -9.619 -3.400 33.999 1.00 5.48 C ATOM 784 CD GLN A 82 -9.713 -2.633 35.277 1.00 11.33 C ATOM 785 OE1 GLN A 82 -10.053 -1.432 35.278 1.00 9.79 O ATOM 786 NE2 GLN A 82 -9.385 -3.277 36.358 1.00 10.13 N ATOM 787 HE22 GLN A 82 -9.109 -4.278 36.303 1.00 0.00 H ATOM 788 HE21 GLN A 82 -9.399 -2.791 37.277 1.00 0.00 H ATOM 789 H GLN A 82 -7.960 -1.584 30.678 1.00 0.00 H ATOM 790 N LEU A 83 -10.406 -4.925 31.001 1.00 4.84 N ATOM 791 CA LEU A 83 -11.689 -5.236 30.397 1.00 4.91 C ATOM 792 C LEU A 83 -12.612 -5.680 31.508 1.00 5.84 C ATOM 793 O LEU A 83 -12.226 -6.548 32.300 1.00 6.04 O ATOM 794 CB LEU A 83 -11.559 -6.352 29.353 1.00 4.75 C ATOM 795 CG LEU A 83 -10.533 -6.031 28.262 1.00 8.93 C ATOM 796 CD1 LEU A 83 -10.169 -7.235 27.463 1.00 10.96 C ATOM 797 CD2 LEU A 83 -11.086 -4.986 27.343 1.00 6.36 C ATOM 798 H LEU A 83 -9.844 -5.683 31.438 1.00 0.00 H ATOM 799 N SER A 84 -13.819 -5.132 31.556 1.00 5.60 N ATOM 800 CA SER A 84 -14.712 -5.478 32.658 1.00 6.12 C ATOM 801 C SER A 84 -15.878 -6.338 32.229 1.00 6.38 C ATOM 802 O SER A 84 -16.181 -6.452 31.054 1.00 8.95 O ATOM 803 CB SER A 84 -15.242 -4.216 33.329 1.00 11.45 C ATOM 804 OG SER A 84 -15.843 -3.390 32.357 1.00 10.24 O ATOM 805 HG SER A 84 -15.171 -3.145 31.672 1.00 0.00 H ATOM 806 H SER A 84 -14.125 -4.465 30.819 1.00 0.00 H ATOM 807 N SER A 85 -16.499 -6.956 33.217 1.00 8.57 N ATOM 808 CA SER A 85 -17.711 -7.762 33.068 1.00 11.15 C ATOM 809 C SER A 85 -17.617 -8.685 31.842 1.00 10.78 C ATOM 810 O SER A 85 -18.407 -8.568 30.885 1.00 7.34 O ATOM 811 CB SER A 85 -18.916 -6.829 32.983 1.00 18.87 C ATOM 812 OG SER A 85 -20.036 -7.444 33.582 1.00 32.00 O ATOM 813 HG SER A 85 -19.836 -7.637 34.532 1.00 0.00 H ATOM 814 H SER A 85 -16.097 -6.863 34.172 1.00 0.00 H ATOM 815 N LEU A 86 -16.614 -9.560 31.855 1.00 9.44 N ATOM 816 CA LEU A 86 -16.268 -10.289 30.653 1.00 8.68 C ATOM 817 C LEU A 86 -17.404 -11.182 30.174 1.00 8.14 C ATOM 818 O LEU A 86 -18.144 -11.758 30.968 1.00 9.00 O ATOM 819 CB LEU A 86 -15.006 -11.115 30.875 1.00 9.24 C ATOM 820 CG LEU A 86 -13.793 -10.155 30.898 1.00 12.72 C ATOM 821 CD1 LEU A 86 -12.683 -10.683 31.797 1.00 19.75 C ATOM 822 CD2 LEU A 86 -13.334 -10.005 29.520 1.00 10.91 C ATOM 823 H LEU A 86 -16.077 -9.720 32.731 1.00 0.00 H ATOM 824 N ALA A 87 -17.565 -11.252 28.854 1.00 7.24 N ATOM 825 CA ALA A 87 -18.581 -12.111 28.285 1.00 7.34 C ATOM 826 C ALA A 87 -17.995 -12.822 27.079 1.00 7.10 C ATOM 827 O ALA A 87 -16.905 -12.471 26.636 1.00 6.58 O ATOM 828 CB ALA A 87 -19.816 -11.288 27.883 1.00 12.85 C ATOM 829 H ALA A 87 -16.957 -10.686 28.228 1.00 0.00 H ATOM 830 N SER A 88 -18.701 -13.769 26.474 1.00 7.94 N ATOM 831 CA SER A 88 -17.999 -14.521 25.428 1.00 7.31 C ATOM 832 C SER A 88 -17.583 -13.680 24.235 1.00 12.02 C ATOM 833 O SER A 88 -16.567 -13.954 23.583 1.00 9.56 O ATOM 834 CB SER A 88 -18.851 -15.715 24.972 1.00 23.40 C ATOM 835 OG SER A 88 -20.149 -15.317 24.625 1.00 29.69 O ATOM 836 HG SER A 88 -20.105 -14.662 23.884 1.00 0.00 H ATOM 837 H SER A 88 -19.691 -13.966 26.726 1.00 0.00 H ATOM 838 N GLU A 89 -18.323 -12.622 23.938 1.00 9.32 N ATOM 839 CA GLU A 89 -17.883 -11.790 22.792 1.00 9.93 C ATOM 840 C GLU A 89 -16.606 -10.940 23.076 1.00 10.52 C ATOM 841 O GLU A 89 -16.035 -10.332 22.162 1.00 7.86 O ATOM 842 CB GLU A 89 -19.052 -10.918 22.330 1.00 16.69 C ATOM 843 CG GLU A 89 -19.766 -10.167 23.456 1.00 28.37 C ATOM 844 CD GLU A 89 -20.838 -10.974 24.269 1.00 42.80 C ATOM 845 OE1 GLU A 89 -20.846 -12.234 24.320 1.00 37.89 O ATOM 846 OE2 GLU A 89 -21.692 -10.301 24.890 1.00 47.10 O ATOM 847 H GLU A 89 -19.175 -12.385 24.485 1.00 0.00 H ATOM 848 N ASP A 90 -16.129 -10.925 24.325 1.00 5.58 N ATOM 849 CA ASP A 90 -14.862 -10.286 24.648 1.00 5.16 C ATOM 850 C ASP A 90 -13.680 -11.182 24.324 1.00 5.03 C ATOM 851 O ASP A 90 -12.551 -10.730 24.335 1.00 4.70 O ATOM 852 CB ASP A 90 -14.810 -9.895 26.118 1.00 5.96 C ATOM 853 CG ASP A 90 -15.854 -8.830 26.457 1.00 13.32 C ATOM 854 OD1 ASP A 90 -16.056 -7.882 25.650 1.00 13.56 O ATOM 855 OD2 ASP A 90 -16.512 -8.955 27.505 1.00 12.71 O ATOM 856 H ASP A 90 -16.676 -11.381 25.083 1.00 0.00 H ATOM 857 N ALA A 91 -13.924 -12.459 24.027 1.00 5.36 N ATOM 858 CA ALA A 91 -12.810 -13.312 23.655 1.00 5.30 C ATOM 859 C ALA A 91 -12.245 -12.854 22.301 1.00 7.08 C ATOM 860 O ALA A 91 -12.983 -12.778 21.300 1.00 4.89 O ATOM 861 CB ALA A 91 -13.254 -14.798 23.609 1.00 5.83 C ATOM 862 H ALA A 91 -14.893 -12.836 24.061 1.00 0.00 H ATOM 863 N ALA A 92 -10.942 -12.591 22.275 1.00 4.57 N ATOM 864 CA ALA A 92 -10.301 -11.993 21.112 1.00 4.18 C ATOM 865 C ALA A 92 -8.790 -11.912 21.321 1.00 3.98 C ATOM 866 O ALA A 92 -8.319 -12.054 22.457 1.00 4.10 O ATOM 867 CB ALA A 92 -10.856 -10.623 20.909 1.00 3.93 C ATOM 868 H ALA A 92 -10.364 -12.819 23.109 1.00 0.00 H ATOM 869 N VAL A 93 -8.074 -11.546 20.258 1.00 3.71 N ATOM 870 CA VAL A 93 -6.704 -11.113 20.415 1.00 3.51 C ATOM 871 C VAL A 93 -6.761 -9.579 20.540 1.00 3.22 C ATOM 872 O VAL A 93 -7.466 -8.912 19.781 1.00 3.84 O ATOM 873 CB VAL A 93 -5.824 -11.549 19.250 1.00 3.45 C ATOM 874 CG1 VAL A 93 -4.432 -10.918 19.422 1.00 3.57 C ATOM 875 CG2 VAL A 93 -5.755 -13.091 19.191 1.00 6.05 C ATOM 876 H VAL A 93 -8.503 -11.572 19.311 1.00 0.00 H ATOM 877 N TYR A 94 -6.082 -9.049 21.566 1.00 3.20 N ATOM 878 CA TYR A 94 -6.005 -7.614 21.802 1.00 3.01 C ATOM 879 C TYR A 94 -4.608 -7.133 21.461 1.00 3.08 C ATOM 880 O TYR A 94 -3.637 -7.766 21.853 1.00 2.98 O ATOM 881 CB TYR A 94 -6.331 -7.267 23.274 1.00 3.17 C ATOM 882 CG TYR A 94 -7.785 -7.518 23.553 1.00 3.34 C ATOM 883 CD1 TYR A 94 -8.254 -8.808 23.860 1.00 3.62 C ATOM 884 CD2 TYR A 94 -8.694 -6.493 23.465 1.00 3.55 C ATOM 885 CE1 TYR A 94 -9.611 -9.041 24.073 1.00 3.85 C ATOM 886 CE2 TYR A 94 -10.058 -6.712 23.681 1.00 3.51 C ATOM 887 CZ TYR A 94 -10.502 -7.983 23.987 1.00 3.79 C ATOM 888 OH TYR A 94 -11.848 -8.155 24.200 1.00 4.06 O ATOM 889 HH TYR A 94 -12.029 -9.106 24.409 1.00 0.00 H ATOM 890 H TYR A 94 -5.589 -9.689 22.221 1.00 0.00 H ATOM 891 N TYR A 95 -4.510 -6.068 20.679 1.00 2.67 N ATOM 892 CA TYR A 95 -3.193 -5.515 20.276 1.00 2.58 C ATOM 893 C TYR A 95 -2.981 -4.118 20.862 1.00 2.57 C ATOM 894 O TYR A 95 -3.952 -3.364 20.876 1.00 3.96 O ATOM 895 CB TYR A 95 -3.124 -5.349 18.745 1.00 2.44 C ATOM 896 CG TYR A 95 -3.145 -6.642 18.015 1.00 2.50 C ATOM 897 CD1 TYR A 95 -1.981 -7.407 17.901 1.00 2.61 C ATOM 898 CD2 TYR A 95 -4.309 -7.104 17.427 1.00 2.52 C ATOM 899 CE1 TYR A 95 -1.987 -8.621 17.207 1.00 3.02 C ATOM 900 CE2 TYR A 95 -4.315 -8.334 16.714 1.00 2.64 C ATOM 901 CZ TYR A 95 -3.148 -9.071 16.620 1.00 4.44 C ATOM 902 OH TYR A 95 -3.114 -10.307 15.954 1.00 6.03 O ATOM 903 HH TYR A 95 -2.197 -10.677 15.994 1.00 0.00 H ATOM 904 H TYR A 95 -5.378 -5.608 20.339 1.00 0.00 H ATOM 905 N CYS A 96 -1.743 -3.733 21.221 1.00 2.64 N ATOM 906 CA CYS A 96 -1.452 -2.299 21.438 1.00 2.67 C ATOM 907 C CYS A 96 -0.607 -1.779 20.258 1.00 4.74 C ATOM 908 O CYS A 96 0.052 -2.555 19.576 1.00 3.84 O ATOM 909 CB CYS A 96 -0.714 -2.087 22.781 1.00 3.86 C ATOM 910 SG CYS A 96 0.773 -3.067 22.893 1.00 7.83 S ATOM 911 H CYS A 96 -0.992 -4.442 21.346 1.00 0.00 H ATOM 912 N ALA A 97 -0.670 -0.482 19.995 1.00 2.63 N ATOM 913 CA ALA A 97 0.127 0.095 18.904 1.00 2.65 C ATOM 914 C ALA A 97 0.512 1.514 19.251 1.00 2.84 C ATOM 915 O ALA A 97 -0.184 2.173 20.037 1.00 3.81 O ATOM 916 CB ALA A 97 -0.665 0.087 17.538 1.00 2.49 C ATOM 917 H ALA A 97 -1.287 0.131 20.564 1.00 0.00 H ATOM 918 N THR A 98 1.610 1.987 18.677 1.00 2.98 N ATOM 919 CA THR A 98 2.027 3.374 18.896 1.00 3.25 C ATOM 920 C THR A 98 2.895 3.804 17.709 1.00 3.37 C ATOM 921 O THR A 98 2.990 3.056 16.731 1.00 3.22 O ATOM 922 CB THR A 98 2.747 3.546 20.247 1.00 4.61 C ATOM 923 OG1 THR A 98 2.800 4.925 20.580 1.00 4.89 O ATOM 924 CG2 THR A 98 4.195 3.010 20.219 1.00 4.31 C ATOM 925 HG1 THR A 98 1.879 5.283 20.647 1.00 0.00 H ATOM 926 H THR A 98 2.180 1.368 18.066 1.00 0.00 H ATOM 927 N TYR A 99 3.460 5.014 17.777 1.00 3.86 N ATOM 928 CA TYR A 99 4.168 5.694 16.676 1.00 4.08 C ATOM 929 C TYR A 99 3.181 5.926 15.535 1.00 6.23 C ATOM 930 O TYR A 99 3.243 5.282 14.472 1.00 3.93 O ATOM 931 CB TYR A 99 5.376 4.894 16.243 1.00 4.14 C ATOM 932 CG TYR A 99 6.463 5.682 15.526 1.00 4.54 C ATOM 933 CD1 TYR A 99 6.513 5.724 14.119 1.00 6.54 C ATOM 934 CD2 TYR A 99 7.466 6.308 16.238 1.00 7.39 C ATOM 935 CE1 TYR A 99 7.502 6.389 13.450 1.00 6.11 C ATOM 936 CE2 TYR A 99 8.494 6.970 15.563 1.00 9.16 C ATOM 937 CZ TYR A 99 8.499 7.002 14.176 1.00 10.64 C ATOM 938 OH TYR A 99 9.481 7.663 13.494 1.00 12.25 O ATOM 939 HH TYR A 99 10.361 7.269 13.720 1.00 0.00 H ATOM 940 H TYR A 99 3.395 5.519 18.684 1.00 0.00 H ATOM 941 N GLY A 100 2.246 6.850 15.777 1.00 4.08 N ATOM 942 CA GLY A 100 1.005 6.802 15.045 1.00 3.60 C ATOM 943 C GLY A 100 0.365 5.440 15.320 1.00 3.23 C ATOM 944 O GLY A 100 0.094 5.096 16.471 1.00 5.03 O ATOM 945 H GLY A 100 2.412 7.594 16.484 1.00 0.00 H ATOM 946 N VAL A 101 0.144 4.658 14.271 1.00 6.04 N ATOM 947 CA VAL A 101 -0.254 3.265 14.408 1.00 4.41 C ATOM 948 C VAL A 101 0.713 2.350 13.641 1.00 2.74 C ATOM 949 O VAL A 101 0.307 1.291 13.116 1.00 5.73 O ATOM 950 CB VAL A 101 -1.729 3.025 13.940 1.00 2.62 C ATOM 951 CG1 VAL A 101 -2.709 3.660 14.919 1.00 2.67 C ATOM 952 CG2 VAL A 101 -1.991 3.518 12.489 1.00 4.10 C ATOM 953 H VAL A 101 0.259 5.055 13.317 1.00 0.00 H ATOM 954 N ALA A 102 1.983 2.749 13.588 1.00 2.96 N ATOM 955 CA ALA A 102 2.965 2.036 12.789 1.00 3.02 C ATOM 956 C ALA A 102 3.519 0.767 13.501 1.00 6.16 C ATOM 957 O ALA A 102 3.798 -0.255 12.831 1.00 5.93 O ATOM 958 CB ALA A 102 4.127 2.963 12.403 1.00 4.82 C ATOM 959 H ALA A 102 2.277 3.587 14.129 1.00 0.00 H ATOM 960 N TYR A 103 3.654 0.813 14.828 1.00 4.39 N ATOM 961 CA TYR A 103 4.295 -0.295 15.486 1.00 3.27 C ATOM 962 C TYR A 103 3.321 -0.987 16.422 1.00 3.97 C ATOM 963 O TYR A 103 2.714 -0.345 17.263 1.00 5.18 O ATOM 964 CB TYR A 103 5.541 0.169 16.281 1.00 3.58 C ATOM 965 CG TYR A 103 6.539 0.904 15.419 1.00 7.15 C ATOM 966 CD1 TYR A 103 6.813 0.483 14.134 1.00 14.96 C ATOM 967 CD2 TYR A 103 7.152 2.035 15.869 1.00 6.32 C ATOM 968 CE1 TYR A 103 7.711 1.198 13.332 1.00 15.71 C ATOM 969 CE2 TYR A 103 8.073 2.735 15.088 1.00 13.37 C ATOM 970 CZ TYR A 103 8.331 2.318 13.817 1.00 15.41 C ATOM 971 OH TYR A 103 9.250 3.029 13.029 1.00 16.78 O ATOM 972 HH TYR A 103 10.135 3.025 13.472 1.00 0.00 H ATOM 973 H TYR A 103 3.305 1.628 15.372 1.00 0.00 H ATOM 974 N TRP A 104 3.205 -2.318 16.286 1.00 4.69 N ATOM 975 CA TRP A 104 2.211 -3.080 17.054 1.00 4.15 C ATOM 976 C TRP A 104 2.828 -4.108 17.949 1.00 2.83 C ATOM 977 O TRP A 104 3.906 -4.651 17.644 1.00 3.25 O ATOM 978 CB TRP A 104 1.237 -3.805 16.122 1.00 3.95 C ATOM 979 CG TRP A 104 0.302 -2.929 15.344 1.00 3.57 C ATOM 980 CD1 TRP A 104 0.626 -1.798 14.629 1.00 4.73 C ATOM 981 CD2 TRP A 104 -1.102 -3.128 15.155 1.00 3.10 C ATOM 982 NE1 TRP A 104 -0.481 -1.280 14.043 1.00 5.64 N ATOM 983 CE2 TRP A 104 -1.565 -2.060 14.336 1.00 2.24 C ATOM 984 CE3 TRP A 104 -2.013 -4.097 15.574 1.00 2.26 C ATOM 985 CZ2 TRP A 104 -2.900 -1.961 13.919 1.00 2.18 C ATOM 986 CZ3 TRP A 104 -3.357 -3.988 15.173 1.00 6.09 C ATOM 987 CH2 TRP A 104 -3.781 -2.933 14.357 1.00 3.38 C ATOM 988 HE1 TRP A 104 -0.503 -0.420 13.459 1.00 0.00 H ATOM 989 H TRP A 104 3.831 -2.819 15.624 1.00 0.00 H ATOM 990 N GLY A 105 2.167 -4.381 19.065 1.00 2.82 N ATOM 991 CA GLY A 105 2.549 -5.513 19.914 1.00 3.00 C ATOM 992 C GLY A 105 2.228 -6.852 19.231 1.00 3.00 C ATOM 993 O GLY A 105 1.614 -6.876 18.161 1.00 2.85 O ATOM 994 H GLY A 105 1.364 -3.782 19.343 1.00 0.00 H ATOM 995 N GLN A 106 2.609 -7.946 19.878 1.00 3.23 N ATOM 996 CA GLN A 106 2.413 -9.269 19.272 1.00 4.40 C ATOM 997 C GLN A 106 1.018 -9.836 19.564 1.00 6.70 C ATOM 998 O GLN A 106 0.632 -10.913 19.084 1.00 6.31 O ATOM 999 CB GLN A 106 3.493 -10.228 19.780 1.00 5.63 C ATOM 1000 CG GLN A 106 3.142 -10.905 21.100 1.00 11.39 C ATOM 1001 CD GLN A 106 3.462 -10.094 22.348 1.00 12.37 C ATOM 1002 OE1 GLN A 106 3.777 -8.886 22.298 1.00 8.69 O ATOM 1003 NE2 GLN A 106 3.412 -10.788 23.508 1.00 13.60 N ATOM 1004 HE22 GLN A 106 3.144 -11.793 23.502 1.00 0.00 H ATOM 1005 HE21 GLN A 106 3.641 -10.317 24.406 1.00 0.00 H ATOM 1006 H GLN A 106 3.048 -7.866 20.817 1.00 0.00 H ATOM 1007 N GLY A 107 0.273 -9.098 20.354 1.00 3.18 N ATOM 1008 CA GLY A 107 -1.083 -9.439 20.744 1.00 4.23 C ATOM 1009 C GLY A 107 -1.152 -10.295 21.995 1.00 4.23 C ATOM 1010 O GLY A 107 -0.231 -11.061 22.292 1.00 5.03 O ATOM 1011 H GLY A 107 0.679 -8.215 20.723 1.00 0.00 H ATOM 1012 N THR A 108 -2.271 -10.180 22.702 1.00 3.49 N ATOM 1013 CA THR A 108 -2.578 -11.004 23.847 1.00 3.80 C ATOM 1014 C THR A 108 -3.916 -11.661 23.598 1.00 3.90 C ATOM 1015 O THR A 108 -4.905 -10.965 23.383 1.00 3.74 O ATOM 1016 CB THR A 108 -2.717 -10.161 25.146 1.00 3.84 C ATOM 1017 OG1 THR A 108 -1.438 -9.628 25.443 1.00 5.52 O ATOM 1018 CG2 THR A 108 -3.158 -11.090 26.362 1.00 4.23 C ATOM 1019 HG1 THR A 108 -0.796 -10.369 25.577 1.00 0.00 H ATOM 1020 H THR A 108 -2.963 -9.458 22.415 1.00 0.00 H ATOM 1021 N LEU A 109 -3.949 -12.986 23.644 1.00 4.23 N ATOM 1022 CA LEU A 109 -5.199 -13.697 23.442 1.00 4.43 C ATOM 1023 C LEU A 109 -5.978 -13.748 24.748 1.00 4.68 C ATOM 1024 O LEU A 109 -5.449 -14.278 25.731 1.00 4.97 O ATOM 1025 CB LEU A 109 -4.927 -15.146 22.971 1.00 4.78 C ATOM 1026 CG LEU A 109 -6.163 -16.043 22.786 1.00 5.11 C ATOM 1027 CD1 LEU A 109 -7.079 -15.622 21.654 1.00 10.22 C ATOM 1028 CD2 LEU A 109 -5.744 -17.525 22.618 1.00 8.31 C ATOM 1029 H LEU A 109 -3.075 -13.519 23.826 1.00 0.00 H ATOM 1030 N VAL A 110 -7.242 -13.351 24.719 1.00 4.65 N ATOM 1031 CA VAL A 110 -8.146 -13.536 25.851 1.00 4.98 C ATOM 1032 C VAL A 110 -9.240 -14.507 25.451 1.00 7.36 C ATOM 1033 O VAL A 110 -9.893 -14.332 24.400 1.00 5.19 O ATOM 1034 CB VAL A 110 -8.802 -12.200 26.309 1.00 4.78 C ATOM 1035 CG1 VAL A 110 -9.935 -12.420 27.361 1.00 5.19 C ATOM 1036 CG2 VAL A 110 -7.752 -11.174 26.791 1.00 4.52 C ATOM 1037 H VAL A 110 -7.603 -12.891 23.859 1.00 0.00 H ATOM 1038 N THR A 111 -9.363 -15.568 26.239 1.00 5.82 N ATOM 1039 CA THR A 111 -10.456 -16.496 26.050 1.00 6.27 C ATOM 1040 C THR A 111 -11.350 -16.462 27.279 1.00 6.76 C ATOM 1041 O THR A 111 -10.934 -16.096 28.380 1.00 6.66 O ATOM 1042 CB THR A 111 -9.979 -17.948 25.799 1.00 9.93 C ATOM 1043 OG1 THR A 111 -9.002 -18.313 26.778 1.00 14.22 O ATOM 1044 CG2 THR A 111 -9.378 -18.098 24.424 1.00 9.77 C ATOM 1045 HG1 THR A 111 -8.701 -19.242 26.612 1.00 0.00 H ATOM 1046 H THR A 111 -8.670 -15.733 26.996 1.00 0.00 H ATOM 1047 N VAL A 112 -12.614 -16.774 27.068 1.00 6.96 N ATOM 1048 CA VAL A 112 -13.611 -16.563 28.097 1.00 7.31 C ATOM 1049 C VAL A 112 -14.416 -17.812 28.238 1.00 11.21 C ATOM 1050 O VAL A 112 -15.131 -18.182 27.303 1.00 15.93 O ATOM 1051 CB VAL A 112 -14.565 -15.398 27.754 1.00 7.24 C ATOM 1052 CG1 VAL A 112 -15.689 -15.351 28.851 1.00 11.49 C ATOM 1053 CG2 VAL A 112 -13.806 -14.080 27.580 1.00 8.81 C ATOM 1054 H VAL A 112 -12.898 -17.176 26.152 1.00 0.00 H ATOM 1055 N SER A 113 -14.335 -18.459 29.393 1.00 8.50 N ATOM 1056 CA SER A 113 -15.129 -19.644 29.589 1.00 17.52 C ATOM 1057 C SER A 113 -15.243 -19.959 31.054 1.00 12.35 C ATOM 1058 O SER A 113 -14.338 -19.663 31.853 1.00 12.27 O ATOM 1059 CB SER A 113 -14.501 -20.825 28.876 1.00 27.23 C ATOM 1060 OG SER A 113 -13.570 -21.440 29.747 1.00 35.80 O ATOM 1061 HG SER A 113 -14.038 -21.750 30.563 1.00 0.00 H ATOM 1062 H SER A 113 -13.706 -18.115 30.147 1.00 0.00 H ATOM 1063 N ALA A 114 -16.368 -20.544 31.431 1.00 12.60 N ATOM 1064 CA ALA A 114 -16.411 -21.218 32.716 1.00 21.63 C ATOM 1065 C ALA A 114 -17.620 -22.083 32.789 1.00 32.13 C ATOM 1066 O ALA A 114 -18.642 -21.587 33.229 1.00 36.74 O ATOM 1067 CB ALA A 114 -16.430 -20.215 33.869 1.00 33.58 C ATOM 1068 H ALA A 114 -17.207 -20.521 30.817 1.00 0.00 H TER 1069 ALA A 114 ATOM 1070 N ASP B 1 -20.074 6.719 12.359 1.00 24.60 N ATOM 1071 CA ASP B 1 -18.689 6.323 12.138 1.00 25.05 C ATOM 1072 C ASP B 1 -18.432 6.340 10.661 1.00 14.47 C ATOM 1073 O ASP B 1 -19.364 6.253 9.856 1.00 18.93 O ATOM 1074 CB ASP B 1 -18.438 4.923 12.653 1.00 32.81 C ATOM 1075 CG ASP B 1 -19.131 4.651 13.968 1.00 47.13 C ATOM 1076 OD1 ASP B 1 -19.408 5.588 14.782 1.00 47.53 O ATOM 1077 OD2 ASP B 1 -19.480 3.465 14.127 1.00 55.76 O ATOM 1078 HN3 ASP B 1 -20.706 6.049 11.876 1.00 0.00 H ATOM 1079 HN2 ASP B 1 -20.225 7.675 11.979 1.00 0.00 H ATOM 1080 HN1 ASP B 1 -20.276 6.715 13.379 1.00 0.00 H ATOM 1081 N ILE B 2 -17.174 6.437 10.268 1.00 8.42 N ATOM 1082 CA ILE B 2 -16.854 6.291 8.863 1.00 6.81 C ATOM 1083 C ILE B 2 -16.752 4.796 8.547 1.00 12.91 C ATOM 1084 O ILE B 2 -15.895 4.094 9.065 1.00 13.68 O ATOM 1085 CB ILE B 2 -15.553 6.968 8.502 1.00 5.59 C ATOM 1086 CG1 ILE B 2 -15.666 8.470 8.823 1.00 6.08 C ATOM 1087 CG2 ILE B 2 -15.211 6.642 6.998 1.00 7.42 C ATOM 1088 CD1 ILE B 2 -14.416 9.328 8.480 1.00 5.24 C ATOM 1089 H ILE B 2 -16.420 6.617 10.962 1.00 0.00 H ATOM 1090 N VAL B 3 -17.652 4.320 7.699 1.00 4.89 N ATOM 1091 CA VAL B 3 -17.735 2.916 7.335 1.00 4.77 C ATOM 1092 C VAL B 3 -16.863 2.669 6.106 1.00 4.63 C ATOM 1093 O VAL B 3 -16.993 3.402 5.117 1.00 5.21 O ATOM 1094 CB VAL B 3 -19.177 2.537 7.031 1.00 5.99 C ATOM 1095 CG1 VAL B 3 -19.282 1.050 6.533 1.00 10.10 C ATOM 1096 CG2 VAL B 3 -19.980 2.755 8.253 1.00 11.44 C ATOM 1097 H VAL B 3 -18.331 4.983 7.274 1.00 0.00 H ATOM 1098 N LEU B 4 -15.962 1.686 6.228 1.00 4.29 N ATOM 1099 CA LEU B 4 -15.058 1.342 5.145 1.00 4.18 C ATOM 1100 C LEU B 4 -15.480 0.031 4.526 1.00 4.39 C ATOM 1101 O LEU B 4 -15.621 -0.966 5.244 1.00 7.58 O ATOM 1102 CB LEU B 4 -13.623 1.212 5.668 1.00 3.78 C ATOM 1103 CG LEU B 4 -12.995 2.419 6.407 1.00 5.73 C ATOM 1104 CD1 LEU B 4 -11.503 2.098 6.582 1.00 4.16 C ATOM 1105 CD2 LEU B 4 -13.177 3.609 5.543 1.00 5.57 C ATOM 1106 H LEU B 4 -15.908 1.156 7.121 1.00 0.00 H ATOM 1107 N THR B 5 -15.684 0.043 3.217 1.00 4.54 N ATOM 1108 CA THR B 5 -16.123 -1.156 2.502 1.00 5.65 C ATOM 1109 C THR B 5 -15.020 -1.578 1.555 1.00 5.22 C ATOM 1110 O THR B 5 -14.702 -0.808 0.609 1.00 5.48 O ATOM 1111 CB THR B 5 -17.433 -0.862 1.718 1.00 14.95 C ATOM 1112 OG1 THR B 5 -18.457 -0.486 2.657 1.00 16.50 O ATOM 1113 CG2 THR B 5 -17.917 -2.089 0.876 1.00 11.70 C ATOM 1114 HG1 THR B 5 -18.170 0.323 3.150 1.00 0.00 H ATOM 1115 H THR B 5 -15.529 0.924 2.686 1.00 0.00 H ATOM 1116 N GLN B 6 -14.420 -2.745 1.815 1.00 4.63 N ATOM 1117 CA GLN B 6 -13.321 -3.269 1.013 1.00 7.81 C ATOM 1118 C GLN B 6 -13.814 -4.195 -0.049 1.00 11.11 C ATOM 1119 O GLN B 6 -14.747 -4.944 0.204 1.00 13.18 O ATOM 1120 CB GLN B 6 -12.350 -4.055 1.927 1.00 19.73 C ATOM 1121 CG GLN B 6 -11.044 -3.450 2.115 1.00 18.41 C ATOM 1122 CD GLN B 6 -10.194 -4.185 3.136 1.00 7.67 C ATOM 1123 OE1 GLN B 6 -10.308 -3.910 4.334 1.00 6.28 O ATOM 1124 NE2 GLN B 6 -9.302 -5.026 2.672 1.00 10.49 N ATOM 1125 HE22 GLN B 6 -9.251 -5.220 1.651 1.00 0.00 H ATOM 1126 HE21 GLN B 6 -8.645 -5.499 3.324 1.00 0.00 H ATOM 1127 H GLN B 6 -14.753 -3.304 2.626 1.00 0.00 H ATOM 1128 N SER B 7 -13.189 -4.161 -1.222 1.00 4.85 N ATOM 1129 CA SER B 7 -13.580 -4.958 -2.383 1.00 8.64 C ATOM 1130 C SER B 7 -12.308 -5.454 -3.058 1.00 10.56 C ATOM 1131 O SER B 7 -11.392 -4.661 -3.211 1.00 11.18 O ATOM 1132 CB SER B 7 -14.353 -4.089 -3.388 1.00 8.63 C ATOM 1133 OG SER B 7 -14.583 -4.840 -4.582 1.00 17.10 O ATOM 1134 HG SER B 7 -13.714 -5.108 -4.974 1.00 0.00 H ATOM 1135 H SER B 7 -12.370 -3.527 -1.320 1.00 0.00 H ATOM 1136 N PRO B 8 -12.245 -6.710 -3.502 1.00 7.55 N ATOM 1137 CA PRO B 8 -13.148 -7.828 -3.207 1.00 7.86 C ATOM 1138 C PRO B 8 -12.813 -8.380 -1.850 1.00 6.42 C ATOM 1139 O PRO B 8 -11.761 -8.062 -1.273 1.00 7.75 O ATOM 1140 CB PRO B 8 -12.807 -8.855 -4.298 1.00 7.22 C ATOM 1141 CG PRO B 8 -11.340 -8.627 -4.546 1.00 8.04 C ATOM 1142 CD PRO B 8 -11.185 -7.078 -4.451 1.00 7.66 C ATOM 1143 N ALA B 9 -13.679 -9.248 -1.312 1.00 7.99 N ATOM 1144 CA ALA B 9 -13.369 -9.850 -0.014 1.00 9.35 C ATOM 1145 C ALA B 9 -12.407 -11.019 -0.182 1.00 8.87 C ATOM 1146 O ALA B 9 -11.683 -11.369 0.736 1.00 7.15 O ATOM 1147 CB ALA B 9 -14.663 -10.328 0.668 1.00 12.03 C ATOM 1148 H ALA B 9 -14.559 -9.491 -1.809 1.00 0.00 H ATOM 1149 N SER B 10 -12.434 -11.628 -1.371 1.00 5.83 N ATOM 1150 CA SER B 10 -11.523 -12.715 -1.678 1.00 6.00 C ATOM 1151 C SER B 10 -10.876 -12.450 -3.013 1.00 6.13 C ATOM 1152 O SER B 10 -11.572 -12.125 -3.975 1.00 8.21 O ATOM 1153 CB SER B 10 -12.316 -14.047 -1.710 1.00 6.53 C ATOM 1154 OG SER B 10 -11.513 -15.111 -2.204 1.00 7.94 O ATOM 1155 HG SER B 10 -10.723 -15.227 -1.618 1.00 0.00 H ATOM 1156 H SER B 10 -13.120 -11.318 -2.089 1.00 0.00 H ATOM 1157 N LEU B 11 -9.559 -12.607 -3.112 1.00 5.99 N ATOM 1158 CA LEU B 11 -8.898 -12.302 -4.354 1.00 8.59 C ATOM 1159 C LEU B 11 -7.891 -13.409 -4.658 1.00 7.67 C ATOM 1160 O LEU B 11 -7.043 -13.670 -3.830 1.00 7.93 O ATOM 1161 CB LEU B 11 -8.206 -10.920 -4.219 1.00 8.61 C ATOM 1162 CG LEU B 11 -7.441 -10.451 -5.470 1.00 9.73 C ATOM 1163 CD1 LEU B 11 -8.265 -10.622 -6.750 1.00 15.97 C ATOM 1164 CD2 LEU B 11 -7.092 -9.014 -5.280 1.00 12.54 C ATOM 1165 H LEU B 11 -9.010 -12.948 -2.297 1.00 0.00 H ATOM 1166 N ALA B 12 -8.021 -14.077 -5.802 1.00 7.03 N ATOM 1167 CA ALA B 12 -7.067 -15.120 -6.224 1.00 9.67 C ATOM 1168 C ALA B 12 -6.268 -14.595 -7.398 1.00 10.99 C ATOM 1169 O ALA B 12 -6.858 -14.225 -8.406 1.00 10.75 O ATOM 1170 CB ALA B 12 -7.800 -16.385 -6.591 1.00 12.36 C ATOM 1171 H ALA B 12 -8.826 -13.855 -6.422 1.00 0.00 H ATOM 1172 N VAL B 13 -4.947 -14.465 -7.250 1.00 7.30 N ATOM 1173 CA VAL B 13 -4.130 -13.945 -8.348 1.00 8.11 C ATOM 1174 C VAL B 13 -2.948 -14.863 -8.604 1.00 7.74 C ATOM 1175 O VAL B 13 -2.425 -15.474 -7.692 1.00 8.26 O ATOM 1176 CB VAL B 13 -3.598 -12.543 -8.065 1.00 10.96 C ATOM 1177 CG1 VAL B 13 -4.711 -11.497 -8.215 1.00 14.69 C ATOM 1178 CG2 VAL B 13 -2.977 -12.521 -6.685 1.00 9.53 C ATOM 1179 H VAL B 13 -4.497 -14.734 -6.352 1.00 0.00 H ATOM 1180 N SER B 14 -2.552 -14.976 -9.869 1.00 8.20 N ATOM 1181 CA SER B 14 -1.362 -15.759 -10.223 1.00 8.59 C ATOM 1182 C SER B 14 -0.059 -15.066 -9.798 1.00 8.28 C ATOM 1183 O SER B 14 0.038 -13.815 -9.834 1.00 7.94 O ATOM 1184 CB SER B 14 -1.287 -16.005 -11.739 1.00 15.72 C ATOM 1185 OG SER B 14 -2.356 -16.790 -12.211 1.00 25.09 O ATOM 1186 HG SER B 14 -2.343 -17.670 -11.758 1.00 0.00 H ATOM 1187 H SER B 14 -3.094 -14.502 -10.619 1.00 0.00 H ATOM 1188 N LEU B 15 0.947 -15.851 -9.413 1.00 8.46 N ATOM 1189 CA LEU B 15 2.272 -15.307 -9.186 1.00 8.34 C ATOM 1190 C LEU B 15 2.682 -14.499 -10.407 1.00 8.57 C ATOM 1191 O LEU B 15 2.472 -14.946 -11.552 1.00 9.10 O ATOM 1192 CB LEU B 15 3.280 -16.427 -8.917 1.00 8.72 C ATOM 1193 CG LEU B 15 3.911 -16.501 -7.525 1.00 8.38 C ATOM 1194 CD1 LEU B 15 2.877 -16.232 -6.447 1.00 7.83 C ATOM 1195 CD2 LEU B 15 4.562 -17.859 -7.314 1.00 11.02 C ATOM 1196 H LEU B 15 0.779 -16.868 -9.273 1.00 0.00 H ATOM 1197 N GLY B 16 3.274 -13.335 -10.170 1.00 8.26 N ATOM 1198 CA GLY B 16 3.772 -12.506 -11.234 1.00 8.51 C ATOM 1199 C GLY B 16 2.759 -11.467 -11.701 1.00 8.32 C ATOM 1200 O GLY B 16 3.136 -10.531 -12.428 1.00 8.46 O ATOM 1201 H GLY B 16 3.381 -13.013 -9.187 1.00 0.00 H ATOM 1202 N GLN B 17 1.493 -11.640 -11.344 1.00 8.08 N ATOM 1203 CA GLN B 17 0.458 -10.736 -11.814 1.00 7.98 C ATOM 1204 C GLN B 17 0.195 -9.594 -10.810 1.00 7.39 C ATOM 1205 O GLN B 17 0.861 -9.476 -9.787 1.00 7.06 O ATOM 1206 CB GLN B 17 -0.822 -11.520 -12.108 1.00 8.87 C ATOM 1207 CG GLN B 17 -0.565 -12.500 -13.251 1.00 8.85 C ATOM 1208 CD GLN B 17 -0.263 -11.769 -14.549 1.00 10.82 C ATOM 1209 OE1 GLN B 17 -1.073 -10.963 -14.997 1.00 13.13 O ATOM 1210 NE2 GLN B 17 0.894 -12.050 -15.168 1.00 9.64 N ATOM 1211 HE22 GLN B 17 1.552 -12.740 -14.753 1.00 0.00 H ATOM 1212 HE21 GLN B 17 1.133 -11.578 -16.063 1.00 0.00 H ATOM 1213 H GLN B 17 1.239 -12.432 -10.720 1.00 0.00 H ATOM 1214 N ARG B 18 -0.763 -8.738 -11.112 1.00 7.30 N ATOM 1215 CA ARG B 18 -1.015 -7.591 -10.262 1.00 6.83 C ATOM 1216 C ARG B 18 -2.304 -7.756 -9.484 1.00 6.53 C ATOM 1217 O ARG B 18 -3.319 -8.134 -10.066 1.00 11.06 O ATOM 1218 CB ARG B 18 -1.079 -6.306 -11.097 1.00 7.00 C ATOM 1219 CG ARG B 18 -1.527 -5.086 -10.254 1.00 8.10 C ATOM 1220 CD ARG B 18 -1.083 -3.797 -10.984 1.00 8.37 C ATOM 1221 NE ARG B 18 -1.632 -3.660 -12.327 1.00 11.93 N ATOM 1222 CZ ARG B 18 -2.786 -3.034 -12.603 1.00 15.45 C ATOM 1223 NH1 ARG B 18 -3.506 -2.522 -11.613 1.00 16.08 N ATOM 1224 NH2 ARG B 18 -3.209 -2.929 -13.858 1.00 14.40 N ATOM 1225 HE ARG B 18 -1.098 -4.072 -13.118 1.00 0.00 H ATOM 1226 HH12 ARG B 18 -4.402 -2.035 -11.819 1.00 0.00 H ATOM 1227 HH11 ARG B 18 -3.175 -2.607 -10.631 1.00 0.00 H ATOM 1228 HH22 ARG B 18 -4.104 -2.443 -14.066 1.00 0.00 H ATOM 1229 HH21 ARG B 18 -2.645 -3.333 -14.632 1.00 0.00 H ATOM 1230 H ARG B 18 -1.340 -8.887 -11.964 1.00 0.00 H ATOM 1231 N ALA B 19 -2.260 -7.517 -8.166 1.00 6.06 N ATOM 1232 CA ALA B 19 -3.463 -7.606 -7.340 1.00 5.80 C ATOM 1233 C ALA B 19 -3.875 -6.203 -7.024 1.00 5.55 C ATOM 1234 O ALA B 19 -3.024 -5.380 -6.704 1.00 5.39 O ATOM 1235 CB ALA B 19 -3.218 -8.366 -6.019 1.00 5.50 C ATOM 1236 H ALA B 19 -1.354 -7.264 -7.723 1.00 0.00 H ATOM 1237 N THR B 20 -5.184 -5.945 -7.074 1.00 5.57 N ATOM 1238 CA THR B 20 -5.701 -4.628 -6.717 1.00 5.39 C ATOM 1239 C THR B 20 -6.835 -4.748 -5.716 1.00 5.17 C ATOM 1240 O THR B 20 -7.788 -5.518 -5.933 1.00 5.36 O ATOM 1241 CB THR B 20 -6.186 -3.883 -7.999 1.00 7.60 C ATOM 1242 OG1 THR B 20 -5.117 -3.845 -8.958 1.00 10.64 O ATOM 1243 CG2 THR B 20 -6.523 -2.441 -7.639 1.00 9.11 C ATOM 1244 HG1 THR B 20 -4.343 -3.367 -8.569 1.00 0.00 H ATOM 1245 H THR B 20 -5.844 -6.692 -7.371 1.00 0.00 H ATOM 1246 N ILE B 21 -6.720 -4.033 -4.598 1.00 4.81 N ATOM 1247 CA ILE B 21 -7.739 -4.022 -3.565 1.00 4.61 C ATOM 1248 C ILE B 21 -8.307 -2.598 -3.349 1.00 5.34 C ATOM 1249 O ILE B 21 -7.599 -1.625 -3.355 1.00 5.18 O ATOM 1250 CB ILE B 21 -7.141 -4.547 -2.245 1.00 4.69 C ATOM 1251 CG1 ILE B 21 -6.623 -5.968 -2.466 1.00 7.39 C ATOM 1252 CG2 ILE B 21 -8.193 -4.419 -1.103 1.00 4.92 C ATOM 1253 CD1 ILE B 21 -5.878 -6.542 -1.217 1.00 5.82 C ATOM 1254 H ILE B 21 -5.864 -3.459 -4.460 1.00 0.00 H ATOM 1255 N SER B 22 -9.610 -2.486 -3.223 1.00 4.81 N ATOM 1256 CA SER B 22 -10.289 -1.191 -3.153 1.00 6.14 C ATOM 1257 C SER B 22 -10.888 -0.963 -1.773 1.00 4.52 C ATOM 1258 O SER B 22 -11.367 -1.924 -1.139 1.00 4.74 O ATOM 1259 CB SER B 22 -11.392 -1.144 -4.202 1.00 7.05 C ATOM 1260 OG SER B 22 -12.305 -0.090 -3.975 1.00 7.80 O ATOM 1261 HG SER B 22 -11.822 0.774 -3.999 1.00 0.00 H ATOM 1262 H SER B 22 -10.182 -3.353 -3.171 1.00 0.00 H ATOM 1263 N CYS B 23 -10.898 0.284 -1.318 1.00 4.47 N ATOM 1264 CA CYS B 23 -11.497 0.642 -0.018 1.00 4.30 C ATOM 1265 C CYS B 23 -12.355 1.866 -0.250 1.00 10.36 C ATOM 1266 O CYS B 23 -11.828 2.885 -0.705 1.00 11.76 O ATOM 1267 CB CYS B 23 -10.383 0.939 0.982 1.00 7.72 C ATOM 1268 SG CYS B 23 -10.974 1.263 2.692 1.00 15.12 S ATOM 1269 H CYS B 23 -10.469 1.034 -1.897 1.00 0.00 H ATOM 1270 N LYS B 24 -13.665 1.763 -0.048 1.00 4.79 N ATOM 1271 CA LYS B 24 -14.591 2.892 -0.213 1.00 6.15 C ATOM 1272 C LYS B 24 -15.102 3.367 1.140 1.00 7.27 C ATOM 1273 O LYS B 24 -15.580 2.560 1.951 1.00 8.27 O ATOM 1274 CB LYS B 24 -15.802 2.534 -1.086 1.00 7.09 C ATOM 1275 H LYS B 24 -14.052 0.842 0.240 1.00 0.00 H ATOM 1276 N ALA B 25 -14.998 4.658 1.371 1.00 5.16 N ATOM 1277 CA ALA B 25 -15.358 5.231 2.677 1.00 5.23 C ATOM 1278 C ALA B 25 -16.704 5.910 2.564 1.00 6.76 C ATOM 1279 O ALA B 25 -17.043 6.473 1.535 1.00 7.83 O ATOM 1280 CB ALA B 25 -14.251 6.223 3.149 1.00 6.87 C ATOM 1281 H ALA B 25 -14.655 5.285 0.616 1.00 0.00 H ATOM 1282 N SER B 26 -17.491 5.852 3.629 1.00 5.60 N ATOM 1283 CA SER B 26 -18.806 6.442 3.601 1.00 6.11 C ATOM 1284 C SER B 26 -18.741 7.978 3.720 1.00 9.32 C ATOM 1285 O SER B 26 -19.678 8.681 3.353 1.00 11.06 O ATOM 1286 CB SER B 26 -19.653 5.851 4.718 1.00 6.72 C ATOM 1287 OG SER B 26 -19.160 6.252 5.988 1.00 7.03 O ATOM 1288 HG SER B 26 -19.724 5.857 6.699 1.00 0.00 H ATOM 1289 H SER B 26 -17.157 5.377 4.492 1.00 0.00 H ATOM 1290 N GLN B 27 -17.628 8.483 4.234 1.00 7.58 N ATOM 1291 CA GLN B 27 -17.375 9.936 4.290 1.00 13.10 C ATOM 1292 C GLN B 27 -15.920 10.172 3.981 1.00 6.16 C ATOM 1293 O GLN B 27 -15.120 9.246 4.070 1.00 5.71 O ATOM 1294 CB GLN B 27 -17.689 10.485 5.679 1.00 18.24 C ATOM 1295 CG GLN B 27 -19.165 10.402 5.995 1.00 29.67 C ATOM 1296 CD GLN B 27 -19.440 9.875 7.381 1.00 37.40 C ATOM 1297 OE1 GLN B 27 -18.984 10.447 8.381 1.00 35.68 O ATOM 1298 NE2 GLN B 27 -20.183 8.752 7.452 1.00 39.72 N ATOM 1299 HE22 GLN B 27 -20.542 8.310 6.582 1.00 0.00 H ATOM 1300 HE21 GLN B 27 -20.397 8.327 8.377 1.00 0.00 H ATOM 1301 H GLN B 27 -16.909 7.833 4.611 1.00 0.00 H ATOM 1302 N SER B 28 -15.548 11.414 3.700 1.00 6.59 N ATOM 1303 CA SER B 28 -14.154 11.693 3.359 1.00 7.40 C ATOM 1304 C SER B 28 -13.192 11.360 4.473 1.00 6.17 C ATOM 1305 O SER B 28 -13.466 11.622 5.671 1.00 6.11 O ATOM 1306 CB SER B 28 -13.978 13.181 2.995 1.00 9.97 C ATOM 1307 OG SER B 28 -12.615 13.437 2.652 1.00 12.75 O ATOM 1308 HG SER B 28 -12.508 14.393 2.419 1.00 0.00 H ATOM 1309 H SER B 28 -16.245 12.186 3.722 1.00 0.00 H ATOM 1310 N VAL B 29 -12.027 10.841 4.096 1.00 7.18 N ATOM 1311 CA VAL B 29 -10.996 10.615 5.122 1.00 9.18 C ATOM 1312 C VAL B 29 -9.851 11.615 4.953 1.00 6.38 C ATOM 1313 O VAL B 29 -8.771 11.451 5.543 1.00 8.47 O ATOM 1314 CB VAL B 29 -10.505 9.173 5.097 1.00 12.03 C ATOM 1315 CG1 VAL B 29 -11.693 8.224 5.097 1.00 17.26 C ATOM 1316 CG2 VAL B 29 -9.619 8.911 3.929 1.00 11.95 C ATOM 1317 H VAL B 29 -11.849 10.601 3.100 1.00 0.00 H ATOM 1318 N ASP B 30 -10.132 12.682 4.196 1.00 6.07 N ATOM 1319 CA ASP B 30 -9.177 13.780 4.023 1.00 6.30 C ATOM 1320 C ASP B 30 -9.392 14.872 5.024 1.00 14.28 C ATOM 1321 O ASP B 30 -10.531 15.162 5.397 1.00 11.58 O ATOM 1322 CB ASP B 30 -9.285 14.410 2.654 1.00 9.39 C ATOM 1323 CG ASP B 30 -8.940 13.474 1.536 1.00 19.58 C ATOM 1324 OD1 ASP B 30 -8.392 12.366 1.766 1.00 18.72 O ATOM 1325 OD2 ASP B 30 -9.227 13.890 0.396 1.00 29.45 O ATOM 1326 H ASP B 30 -11.054 12.734 3.717 1.00 0.00 H ATOM 1327 N HIS B 31 -8.289 15.519 5.402 1.00 6.76 N ATOM 1328 CA HIS B 31 -8.369 16.744 6.179 1.00 11.64 C ATOM 1329 C HIS B 31 -7.193 17.608 5.747 1.00 13.05 C ATOM 1330 O HIS B 31 -6.053 17.133 5.798 1.00 12.67 O ATOM 1331 CB HIS B 31 -8.312 16.479 7.687 1.00 12.51 C ATOM 1332 CG HIS B 31 -8.639 17.686 8.507 1.00 17.80 C ATOM 1333 ND1 HIS B 31 -9.927 18.161 8.637 1.00 24.30 N ATOM 1334 CD2 HIS B 31 -7.848 18.545 9.196 1.00 21.46 C ATOM 1335 CE1 HIS B 31 -9.922 19.251 9.393 1.00 24.91 C ATOM 1336 NE2 HIS B 31 -8.674 19.498 9.754 1.00 26.76 N ATOM 1337 H HIS B 31 -7.357 15.141 5.137 1.00 0.00 H ATOM 1338 N ASP B 32 -7.495 18.848 5.371 1.00 23.58 N ATOM 1339 CA ASP B 32 -6.524 19.894 4.998 1.00 27.80 C ATOM 1340 C ASP B 32 -5.446 19.365 4.050 1.00 28.42 C ATOM 1341 O ASP B 32 -4.259 19.457 4.354 1.00 30.40 O ATOM 1342 CB ASP B 32 -5.867 20.502 6.254 1.00 32.06 C ATOM 1343 CG ASP B 32 -6.844 21.371 7.083 1.00 49.24 C ATOM 1344 OD1 ASP B 32 -7.827 21.899 6.500 1.00 49.82 O ATOM 1345 OD2 ASP B 32 -6.633 21.519 8.318 1.00 45.28 O ATOM 1346 H ASP B 32 -8.503 19.102 5.337 1.00 0.00 H ATOM 1347 N GLY B 33 -5.852 18.768 2.933 1.00 24.45 N ATOM 1348 CA GLY B 33 -4.872 18.251 1.986 1.00 29.08 C ATOM 1349 C GLY B 33 -4.197 16.890 2.256 1.00 29.09 C ATOM 1350 O GLY B 33 -3.430 16.410 1.419 1.00 34.75 O ATOM 1351 H GLY B 33 -6.868 18.670 2.735 1.00 0.00 H ATOM 1352 N ASP B 34 -4.462 16.264 3.399 1.00 20.60 N ATOM 1353 CA ASP B 34 -3.906 14.946 3.689 1.00 19.35 C ATOM 1354 C ASP B 34 -4.995 13.889 3.754 1.00 11.02 C ATOM 1355 O ASP B 34 -6.090 14.171 4.243 1.00 10.09 O ATOM 1356 CB ASP B 34 -3.151 14.988 5.004 1.00 28.32 C ATOM 1357 CG ASP B 34 -2.038 16.023 4.991 1.00 37.71 C ATOM 1358 OD1 ASP B 34 -0.985 15.709 4.377 1.00 39.53 O ATOM 1359 OD2 ASP B 34 -2.231 17.135 5.560 1.00 36.91 O ATOM 1360 H ASP B 34 -5.078 16.723 4.100 1.00 0.00 H ATOM 1361 N SER B 35 -4.717 12.697 3.239 1.00 9.55 N ATOM 1362 CA SER B 35 -5.664 11.576 3.292 1.00 9.65 C ATOM 1363 C SER B 35 -5.252 10.627 4.411 1.00 14.52 C ATOM 1364 O SER B 35 -4.121 10.152 4.419 1.00 22.91 O ATOM 1365 CB SER B 35 -5.698 10.780 1.973 1.00 13.79 C ATOM 1366 OG SER B 35 -6.340 11.488 0.927 1.00 19.73 O ATOM 1367 HG SER B 35 -7.274 11.685 1.188 1.00 0.00 H ATOM 1368 H SER B 35 -3.794 12.552 2.781 1.00 0.00 H ATOM 1369 N TYR B 36 -6.123 10.354 5.359 1.00 4.74 N ATOM 1370 CA TYR B 36 -5.713 9.507 6.488 1.00 4.34 C ATOM 1371 C TYR B 36 -6.214 8.090 6.324 1.00 4.45 C ATOM 1372 O TYR B 36 -7.093 7.625 7.081 1.00 6.32 O ATOM 1373 CB TYR B 36 -6.215 10.159 7.797 1.00 4.57 C ATOM 1374 CG TYR B 36 -5.428 11.403 8.068 1.00 4.78 C ATOM 1375 CD1 TYR B 36 -5.913 12.657 7.702 1.00 5.58 C ATOM 1376 CD2 TYR B 36 -4.180 11.323 8.677 1.00 4.71 C ATOM 1377 CE1 TYR B 36 -5.137 13.807 7.945 1.00 8.69 C ATOM 1378 CE2 TYR B 36 -3.414 12.454 8.900 1.00 5.12 C ATOM 1379 CZ TYR B 36 -3.900 13.691 8.558 1.00 9.27 C ATOM 1380 OH TYR B 36 -3.171 14.843 8.822 1.00 9.30 O ATOM 1381 HH TYR B 36 -3.678 15.633 8.507 1.00 0.00 H ATOM 1382 H TYR B 36 -7.090 10.733 5.310 1.00 0.00 H ATOM 1383 N MET B 37 -5.710 7.435 5.267 1.00 4.30 N ATOM 1384 CA MET B 37 -6.032 5.998 4.985 1.00 3.66 C ATOM 1385 C MET B 37 -4.724 5.194 5.082 1.00 3.46 C ATOM 1386 O MET B 37 -3.729 5.554 4.444 1.00 3.63 O ATOM 1387 CB MET B 37 -6.649 5.802 3.577 1.00 11.78 C ATOM 1388 CG MET B 37 -7.079 4.246 3.298 1.00 7.70 C ATOM 1389 SD MET B 37 -8.471 3.899 4.337 1.00 20.90 S ATOM 1390 CE MET B 37 -9.818 4.764 3.559 1.00 16.75 C ATOM 1391 H MET B 37 -5.073 7.942 4.620 1.00 0.00 H ATOM 1392 N ASN B 38 -4.760 4.110 5.862 1.00 3.18 N ATOM 1393 CA ASN B 38 -3.672 3.144 6.008 1.00 3.02 C ATOM 1394 C ASN B 38 -4.029 1.775 5.429 1.00 2.92 C ATOM 1395 O ASN B 38 -5.184 1.419 5.415 1.00 2.89 O ATOM 1396 CB ASN B 38 -3.356 2.967 7.518 1.00 2.84 C ATOM 1397 CG ASN B 38 -2.982 4.262 8.188 1.00 2.99 C ATOM 1398 OD1 ASN B 38 -2.331 5.105 7.599 1.00 3.22 O ATOM 1399 ND2 ASN B 38 -3.366 4.424 9.436 1.00 2.91 N ATOM 1400 HD22 ASN B 38 -3.922 3.683 9.909 1.00 0.00 H ATOM 1401 HD21 ASN B 38 -3.114 5.293 9.949 1.00 0.00 H ATOM 1402 H ASN B 38 -5.629 3.940 6.408 1.00 0.00 H ATOM 1403 N TRP B 39 -3.024 1.002 5.016 1.00 2.91 N ATOM 1404 CA TRP B 39 -3.234 -0.374 4.624 1.00 2.86 C ATOM 1405 C TRP B 39 -2.323 -1.255 5.422 1.00 2.74 C ATOM 1406 O TRP B 39 -1.160 -0.888 5.574 1.00 2.80 O ATOM 1407 CB TRP B 39 -2.867 -0.552 3.124 1.00 3.08 C ATOM 1408 CG TRP B 39 -3.804 0.136 2.186 1.00 3.26 C ATOM 1409 CD1 TRP B 39 -3.668 1.375 1.642 1.00 3.46 C ATOM 1410 CD2 TRP B 39 -5.009 -0.405 1.662 1.00 3.33 C ATOM 1411 NE1 TRP B 39 -4.708 1.625 0.785 1.00 4.07 N ATOM 1412 CE2 TRP B 39 -5.563 0.561 0.800 1.00 3.57 C ATOM 1413 CE3 TRP B 39 -5.676 -1.614 1.855 1.00 3.27 C ATOM 1414 CZ2 TRP B 39 -6.780 0.360 0.082 1.00 3.75 C ATOM 1415 CZ3 TRP B 39 -6.869 -1.831 1.169 1.00 4.02 C ATOM 1416 CH2 TRP B 39 -7.411 -0.852 0.286 1.00 3.86 C ATOM 1417 HE1 TRP B 39 -4.827 2.487 0.215 1.00 0.00 H ATOM 1418 H TRP B 39 -2.064 1.399 4.975 1.00 0.00 H ATOM 1419 N PHE B 40 -2.893 -2.352 5.962 1.00 2.64 N ATOM 1420 CA PHE B 40 -2.201 -3.353 6.756 1.00 2.58 C ATOM 1421 C PHE B 40 -2.239 -4.710 6.069 1.00 2.70 C ATOM 1422 O PHE B 40 -3.224 -5.045 5.418 1.00 2.77 O ATOM 1423 CB PHE B 40 -2.880 -3.503 8.123 1.00 2.43 C ATOM 1424 CG PHE B 40 -2.699 -2.322 8.996 1.00 2.36 C ATOM 1425 CD1 PHE B 40 -3.605 -1.277 8.955 1.00 2.36 C ATOM 1426 CD2 PHE B 40 -1.548 -2.207 9.836 1.00 2.35 C ATOM 1427 CE1 PHE B 40 -3.391 -0.139 9.773 1.00 4.89 C ATOM 1428 CE2 PHE B 40 -1.362 -1.083 10.627 1.00 5.06 C ATOM 1429 CZ PHE B 40 -2.299 -0.059 10.603 1.00 2.36 C ATOM 1430 H PHE B 40 -3.910 -2.493 5.797 1.00 0.00 H ATOM 1431 N GLN B 41 -1.186 -5.488 6.290 1.00 2.76 N ATOM 1432 CA GLN B 41 -1.101 -6.891 5.872 1.00 2.94 C ATOM 1433 C GLN B 41 -1.154 -7.730 7.120 1.00 3.27 C ATOM 1434 O GLN B 41 -0.449 -7.413 8.066 1.00 4.92 O ATOM 1435 CB GLN B 41 0.251 -7.131 5.147 1.00 3.14 C ATOM 1436 CG GLN B 41 0.469 -8.572 4.717 1.00 3.40 C ATOM 1437 CD GLN B 41 1.875 -8.769 4.213 1.00 3.63 C ATOM 1438 OE1 GLN B 41 2.813 -8.805 5.027 1.00 6.30 O ATOM 1439 NE2 GLN B 41 2.048 -8.928 2.870 1.00 3.88 N ATOM 1440 HE22 GLN B 41 1.228 -8.889 2.232 1.00 0.00 H ATOM 1441 HE21 GLN B 41 3.000 -9.088 2.484 1.00 0.00 H ATOM 1442 H GLN B 41 -0.372 -5.077 6.790 1.00 0.00 H ATOM 1443 N GLN B 42 -1.894 -8.839 7.130 1.00 3.01 N ATOM 1444 CA GLN B 42 -1.849 -9.715 8.310 1.00 3.05 C ATOM 1445 C GLN B 42 -1.799 -11.170 7.908 1.00 3.39 C ATOM 1446 O GLN B 42 -2.629 -11.638 7.165 1.00 3.88 O ATOM 1447 CB GLN B 42 -3.050 -9.472 9.200 1.00 2.92 C ATOM 1448 CG GLN B 42 -2.942 -10.311 10.482 1.00 2.99 C ATOM 1449 CD GLN B 42 -4.153 -10.127 11.354 1.00 4.99 C ATOM 1450 OE1 GLN B 42 -5.286 -9.980 10.869 1.00 6.21 O ATOM 1451 NE2 GLN B 42 -3.932 -10.170 12.670 1.00 4.46 N ATOM 1452 HE22 GLN B 42 -2.965 -10.295 13.031 1.00 0.00 H ATOM 1453 HE21 GLN B 42 -4.727 -10.079 13.334 1.00 0.00 H ATOM 1454 H GLN B 42 -2.494 -9.081 6.316 1.00 0.00 H ATOM 1455 N LYS B 43 -0.807 -11.890 8.404 1.00 4.34 N ATOM 1456 CA LYS B 43 -0.714 -13.347 8.169 1.00 3.90 C ATOM 1457 C LYS B 43 -1.255 -14.029 9.407 1.00 5.59 C ATOM 1458 O LYS B 43 -1.244 -13.416 10.492 1.00 6.11 O ATOM 1459 CB LYS B 43 0.726 -13.734 7.903 1.00 4.12 C ATOM 1460 CG LYS B 43 1.213 -13.038 6.628 1.00 6.70 C ATOM 1461 CD LYS B 43 2.583 -13.449 6.206 1.00 10.53 C ATOM 1462 CE LYS B 43 3.040 -12.639 5.004 1.00 8.95 C ATOM 1463 NZ LYS B 43 4.462 -12.992 4.689 1.00 9.84 N ATOM 1464 HZ1 LYS B 43 5.062 -12.772 5.509 1.00 0.00 H ATOM 1465 HZ2 LYS B 43 4.526 -14.007 4.473 1.00 0.00 H ATOM 1466 HZ3 LYS B 43 4.781 -12.441 3.867 1.00 0.00 H ATOM 1467 H LYS B 43 -0.074 -11.420 8.973 1.00 0.00 H ATOM 1468 N PRO B 44 -1.698 -15.299 9.286 1.00 10.91 N ATOM 1469 CA PRO B 44 -2.307 -15.986 10.439 1.00 8.45 C ATOM 1470 C PRO B 44 -1.391 -16.043 11.634 1.00 6.46 C ATOM 1471 O PRO B 44 -0.199 -16.412 11.566 1.00 11.10 O ATOM 1472 CB PRO B 44 -2.559 -17.398 9.905 1.00 13.45 C ATOM 1473 CG PRO B 44 -2.771 -17.172 8.403 1.00 16.01 C ATOM 1474 CD PRO B 44 -1.781 -16.102 8.053 1.00 11.25 C ATOM 1475 N GLY B 45 -1.953 -15.682 12.776 1.00 9.87 N ATOM 1476 CA GLY B 45 -1.222 -15.779 14.022 1.00 11.51 C ATOM 1477 C GLY B 45 -0.249 -14.640 14.238 1.00 11.08 C ATOM 1478 O GLY B 45 0.493 -14.647 15.236 1.00 11.10 O ATOM 1479 H GLY B 45 -2.930 -15.325 12.779 1.00 0.00 H ATOM 1480 N GLN B 46 -0.221 -13.678 13.307 1.00 5.54 N ATOM 1481 CA GLN B 46 0.714 -12.569 13.398 1.00 3.57 C ATOM 1482 C GLN B 46 0.001 -11.209 13.526 1.00 4.23 C ATOM 1483 O GLN B 46 -1.164 -11.077 13.186 1.00 4.11 O ATOM 1484 CB GLN B 46 1.620 -12.516 12.178 1.00 6.70 C ATOM 1485 CG GLN B 46 2.487 -13.769 11.952 1.00 15.60 C ATOM 1486 CD GLN B 46 3.409 -13.552 10.755 1.00 18.18 C ATOM 1487 OE1 GLN B 46 3.543 -12.424 10.290 1.00 27.50 O ATOM 1488 NE2 GLN B 46 4.025 -14.618 10.245 1.00 17.87 N ATOM 1489 HE22 GLN B 46 3.882 -15.555 10.672 1.00 0.00 H ATOM 1490 HE21 GLN B 46 4.649 -14.513 9.420 1.00 0.00 H ATOM 1491 H GLN B 46 -0.880 -13.725 12.504 1.00 0.00 H ATOM 1492 N SER B 47 0.715 -10.219 14.008 1.00 6.96 N ATOM 1493 CA SER B 47 0.132 -8.883 14.118 1.00 4.66 C ATOM 1494 C SER B 47 0.043 -8.224 12.770 1.00 2.83 C ATOM 1495 O SER B 47 0.898 -8.468 11.880 1.00 6.16 O ATOM 1496 CB SER B 47 0.928 -7.963 15.063 1.00 7.02 C ATOM 1497 OG SER B 47 2.276 -7.790 14.671 1.00 11.09 O ATOM 1498 HG SER B 47 2.732 -7.192 15.315 1.00 0.00 H ATOM 1499 H SER B 47 1.696 -10.385 14.312 1.00 0.00 H ATOM 1500 N PRO B 48 -0.953 -7.354 12.623 1.00 2.64 N ATOM 1501 CA PRO B 48 -1.036 -6.571 11.392 1.00 2.58 C ATOM 1502 C PRO B 48 0.234 -5.757 11.172 1.00 5.40 C ATOM 1503 O PRO B 48 0.823 -5.224 12.103 1.00 6.87 O ATOM 1504 CB PRO B 48 -2.225 -5.631 11.650 1.00 4.04 C ATOM 1505 CG PRO B 48 -3.135 -6.407 12.621 1.00 3.82 C ATOM 1506 CD PRO B 48 -2.163 -7.214 13.464 1.00 4.07 C ATOM 1507 N LYS B 49 0.655 -5.654 9.919 1.00 4.39 N ATOM 1508 CA LYS B 49 1.867 -4.944 9.551 1.00 3.83 C ATOM 1509 C LYS B 49 1.498 -3.759 8.624 1.00 2.88 C ATOM 1510 O LYS B 49 0.835 -3.918 7.595 1.00 3.56 O ATOM 1511 CB LYS B 49 2.814 -5.943 8.879 1.00 8.59 C ATOM 1512 CG LYS B 49 3.960 -5.386 8.135 1.00 13.87 C ATOM 1513 CD LYS B 49 4.773 -6.613 7.681 1.00 21.00 C ATOM 1514 CE LYS B 49 6.181 -6.276 7.314 1.00 28.78 C ATOM 1515 NZ LYS B 49 6.861 -7.559 6.927 1.00 31.51 N ATOM 1516 HZ1 LYS B 49 6.840 -8.217 7.732 1.00 0.00 H ATOM 1517 HZ2 LYS B 49 6.364 -7.983 6.118 1.00 0.00 H ATOM 1518 HZ3 LYS B 49 7.848 -7.361 6.664 1.00 0.00 H ATOM 1519 H LYS B 49 0.093 -6.101 9.167 1.00 0.00 H ATOM 1520 N LEU B 50 1.873 -2.542 9.046 1.00 2.71 N ATOM 1521 CA LEU B 50 1.586 -1.349 8.231 1.00 2.77 C ATOM 1522 C LEU B 50 2.352 -1.391 6.886 1.00 3.96 C ATOM 1523 O LEU B 50 3.572 -1.504 6.883 1.00 4.34 O ATOM 1524 CB LEU B 50 1.976 -0.071 9.016 1.00 2.83 C ATOM 1525 CG LEU B 50 1.679 1.257 8.271 1.00 2.96 C ATOM 1526 CD1 LEU B 50 0.154 1.455 8.129 1.00 2.82 C ATOM 1527 CD2 LEU B 50 2.294 2.430 9.065 1.00 5.42 C ATOM 1528 H LEU B 50 2.369 -2.440 9.954 1.00 0.00 H ATOM 1529 N LEU B 51 1.631 -1.267 5.770 1.00 3.02 N ATOM 1530 CA LEU B 51 2.210 -1.204 4.441 1.00 3.27 C ATOM 1531 C LEU B 51 2.338 0.206 3.951 1.00 3.45 C ATOM 1532 O LEU B 51 3.391 0.617 3.431 1.00 3.72 O ATOM 1533 CB LEU B 51 1.322 -1.967 3.429 1.00 3.28 C ATOM 1534 CG LEU B 51 1.184 -3.432 3.746 1.00 3.21 C ATOM 1535 CD1 LEU B 51 0.143 -4.129 2.810 1.00 3.97 C ATOM 1536 CD2 LEU B 51 2.568 -4.122 3.717 1.00 6.87 C ATOM 1537 H LEU B 51 0.596 -1.212 5.858 1.00 0.00 H ATOM 1538 N ILE B 52 1.210 0.913 4.042 1.00 3.70 N ATOM 1539 CA ILE B 52 1.023 2.234 3.397 1.00 3.57 C ATOM 1540 C ILE B 52 0.300 3.106 4.418 1.00 3.46 C ATOM 1541 O ILE B 52 -0.659 2.648 5.040 1.00 3.22 O ATOM 1542 CB ILE B 52 0.140 2.146 2.148 1.00 3.66 C ATOM 1543 CG1 ILE B 52 0.728 1.176 1.094 1.00 4.20 C ATOM 1544 CG2 ILE B 52 -0.238 3.508 1.590 1.00 3.92 C ATOM 1545 CD1 ILE B 52 1.787 1.795 0.290 1.00 7.19 C ATOM 1546 H ILE B 52 0.422 0.517 4.593 1.00 0.00 H ATOM 1547 N TYR B 53 0.709 4.359 4.539 1.00 3.69 N ATOM 1548 CA TYR B 53 -0.004 5.322 5.360 1.00 3.68 C ATOM 1549 C TYR B 53 -0.204 6.612 4.562 1.00 4.05 C ATOM 1550 O TYR B 53 0.479 6.877 3.550 1.00 5.49 O ATOM 1551 CB TYR B 53 0.764 5.604 6.701 1.00 4.91 C ATOM 1552 CG TYR B 53 2.159 6.201 6.517 1.00 4.01 C ATOM 1553 CD1 TYR B 53 3.286 5.371 6.348 1.00 4.03 C ATOM 1554 CD2 TYR B 53 2.370 7.559 6.586 1.00 4.36 C ATOM 1555 CE1 TYR B 53 4.558 5.902 6.197 1.00 4.40 C ATOM 1556 CE2 TYR B 53 3.616 8.086 6.418 1.00 4.73 C ATOM 1557 CZ TYR B 53 4.692 7.277 6.217 1.00 6.32 C ATOM 1558 OH TYR B 53 5.906 7.885 6.021 1.00 10.53 O ATOM 1559 HH TYR B 53 6.602 7.194 5.888 1.00 0.00 H ATOM 1560 H TYR B 53 1.565 4.663 4.032 1.00 0.00 H ATOM 1561 N ALA B 54 -1.169 7.411 5.014 1.00 5.63 N ATOM 1562 CA ALA B 54 -1.548 8.666 4.347 1.00 4.49 C ATOM 1563 C ALA B 54 -1.779 8.407 2.850 1.00 4.63 C ATOM 1564 O ALA B 54 -1.316 9.151 1.979 1.00 5.02 O ATOM 1565 CB ALA B 54 -0.487 9.747 4.577 1.00 7.68 C ATOM 1566 H ALA B 54 -1.678 7.135 5.878 1.00 0.00 H ATOM 1567 N ALA B 55 -2.492 7.305 2.610 1.00 5.18 N ATOM 1568 CA ALA B 55 -2.970 6.839 1.283 1.00 4.94 C ATOM 1569 C ALA B 55 -1.892 6.317 0.314 1.00 6.28 C ATOM 1570 O ALA B 55 -2.125 5.290 -0.354 1.00 4.49 O ATOM 1571 CB ALA B 55 -3.785 7.931 0.590 1.00 4.87 C ATOM 1572 H ALA B 55 -2.737 6.716 3.431 1.00 0.00 H ATOM 1573 N SER B 56 -0.713 6.932 0.304 1.00 4.80 N ATOM 1574 CA SER B 56 0.291 6.592 -0.697 1.00 5.02 C ATOM 1575 C SER B 56 1.715 6.474 -0.199 1.00 5.27 C ATOM 1576 O SER B 56 2.615 6.217 -1.025 1.00 6.79 O ATOM 1577 CB SER B 56 0.265 7.646 -1.803 1.00 8.45 C ATOM 1578 OG SER B 56 0.506 8.954 -1.234 1.00 10.93 O ATOM 1579 HG SER B 56 1.392 8.962 -0.792 1.00 0.00 H ATOM 1580 H SER B 56 -0.505 7.661 1.016 1.00 0.00 H ATOM 1581 N ASN B 57 1.955 6.702 1.097 1.00 4.90 N ATOM 1582 CA ASN B 57 3.319 6.647 1.611 1.00 5.01 C ATOM 1583 C ASN B 57 3.746 5.225 2.020 1.00 4.69 C ATOM 1584 O ASN B 57 3.132 4.579 2.858 1.00 4.32 O ATOM 1585 CB ASN B 57 3.475 7.563 2.832 1.00 5.06 C ATOM 1586 CG ASN B 57 3.164 8.995 2.513 1.00 14.18 C ATOM 1587 OD1 ASN B 57 2.229 9.589 3.057 1.00 25.17 O ATOM 1588 ND2 ASN B 57 3.917 9.552 1.617 1.00 13.27 N ATOM 1589 HD22 ASN B 57 4.695 9.014 1.184 1.00 0.00 H ATOM 1590 HD21 ASN B 57 3.744 10.537 1.331 1.00 0.00 H ATOM 1591 H ASN B 57 1.167 6.919 1.740 1.00 0.00 H ATOM 1592 N LEU B 58 4.838 4.787 1.419 1.00 4.92 N ATOM 1593 CA LEU B 58 5.356 3.425 1.648 1.00 4.75 C ATOM 1594 C LEU B 58 6.066 3.336 2.983 1.00 8.95 C ATOM 1595 O LEU B 58 6.989 4.118 3.262 1.00 9.83 O ATOM 1596 CB LEU B 58 6.327 3.067 0.507 1.00 5.12 C ATOM 1597 CG LEU B 58 6.872 1.639 0.507 1.00 6.79 C ATOM 1598 CD1 LEU B 58 5.778 0.596 0.281 1.00 8.10 C ATOM 1599 CD2 LEU B 58 7.956 1.506 -0.601 1.00 5.61 C ATOM 1600 H LEU B 58 5.346 5.419 0.767 1.00 0.00 H ATOM 1601 N GLU B 59 5.628 2.421 3.835 1.00 6.71 N ATOM 1602 CA GLU B 59 6.218 2.345 5.161 1.00 8.17 C ATOM 1603 C GLU B 59 7.632 1.769 5.067 1.00 8.91 C ATOM 1604 O GLU B 59 7.932 0.906 4.220 1.00 9.01 O ATOM 1605 CB GLU B 59 5.303 1.525 6.081 1.00 7.81 C ATOM 1606 CG GLU B 59 5.858 1.134 7.487 1.00 10.54 C ATOM 1607 CD GLU B 59 6.217 2.312 8.390 1.00 17.98 C ATOM 1608 OE1 GLU B 59 6.157 3.479 7.940 1.00 17.90 O ATOM 1609 OE2 GLU B 59 6.614 2.056 9.569 1.00 21.82 O ATOM 1610 H GLU B 59 4.870 1.764 3.558 1.00 0.00 H ATOM 1611 N SER B 60 8.530 2.301 5.907 1.00 7.94 N ATOM 1612 CA SER B 60 9.865 1.738 6.013 1.00 5.68 C ATOM 1613 C SER B 60 9.880 0.222 6.139 1.00 7.35 C ATOM 1614 O SER B 60 9.123 -0.362 6.887 1.00 12.53 O ATOM 1615 CB SER B 60 10.580 2.353 7.229 1.00 12.94 C ATOM 1616 OG SER B 60 11.860 1.751 7.333 1.00 18.28 O ATOM 1617 HG SER B 60 11.755 0.774 7.455 1.00 0.00 H ATOM 1618 H SER B 60 8.269 3.123 6.488 1.00 0.00 H ATOM 1619 N GLY B 61 10.750 -0.405 5.370 1.00 8.67 N ATOM 1620 CA GLY B 61 10.922 -1.835 5.372 1.00 8.67 C ATOM 1621 C GLY B 61 10.013 -2.591 4.413 1.00 10.08 C ATOM 1622 O GLY B 61 10.144 -3.832 4.275 1.00 12.14 O ATOM 1623 H GLY B 61 11.342 0.162 4.730 1.00 0.00 H ATOM 1624 N ILE B 62 9.094 -1.879 3.770 1.00 6.38 N ATOM 1625 CA ILE B 62 8.117 -2.519 2.870 1.00 7.56 C ATOM 1626 C ILE B 62 8.575 -2.362 1.426 1.00 5.25 C ATOM 1627 O ILE B 62 9.005 -1.292 1.044 1.00 8.12 O ATOM 1628 CB ILE B 62 6.745 -1.901 3.045 1.00 6.74 C ATOM 1629 CG1 ILE B 62 6.310 -1.957 4.534 1.00 7.78 C ATOM 1630 CG2 ILE B 62 5.713 -2.580 2.068 1.00 4.96 C ATOM 1631 CD1 ILE B 62 6.191 -3.339 5.117 1.00 11.10 C ATOM 1632 H ILE B 62 9.063 -0.848 3.904 1.00 0.00 H ATOM 1633 N PRO B 63 8.533 -3.440 0.603 1.00 6.66 N ATOM 1634 CA PRO B 63 9.025 -3.175 -0.752 1.00 8.64 C ATOM 1635 C PRO B 63 8.059 -2.408 -1.661 1.00 7.97 C ATOM 1636 O PRO B 63 6.842 -2.404 -1.446 1.00 6.96 O ATOM 1637 CB PRO B 63 9.268 -4.565 -1.330 1.00 12.54 C ATOM 1638 CG PRO B 63 8.299 -5.435 -0.570 1.00 10.32 C ATOM 1639 CD PRO B 63 8.227 -4.851 0.839 1.00 9.05 C ATOM 1640 N ALA B 64 8.655 -1.767 -2.676 1.00 7.19 N ATOM 1641 CA ALA B 64 7.928 -0.891 -3.571 1.00 11.76 C ATOM 1642 C ALA B 64 6.934 -1.642 -4.445 1.00 8.09 C ATOM 1643 O ALA B 64 6.164 -1.009 -5.187 1.00 9.25 O ATOM 1644 CB ALA B 64 8.891 -0.101 -4.459 1.00 15.63 C ATOM 1645 H ALA B 64 9.675 -1.903 -2.826 1.00 0.00 H ATOM 1646 N ARG B 65 6.918 -2.966 -4.364 1.00 5.88 N ATOM 1647 CA ARG B 65 5.838 -3.727 -5.040 1.00 6.74 C ATOM 1648 C ARG B 65 4.455 -3.343 -4.522 1.00 5.41 C ATOM 1649 O ARG B 65 3.452 -3.614 -5.191 1.00 5.43 O ATOM 1650 CB ARG B 65 6.016 -5.244 -4.850 1.00 5.85 C ATOM 1651 CG ARG B 65 7.310 -5.758 -5.396 1.00 7.00 C ATOM 1652 CD ARG B 65 7.460 -7.305 -5.373 1.00 6.47 C ATOM 1653 NE ARG B 65 7.414 -7.750 -3.965 1.00 7.28 N ATOM 1654 CZ ARG B 65 6.350 -8.327 -3.400 1.00 7.91 C ATOM 1655 NH1 ARG B 65 5.254 -8.560 -4.123 1.00 8.03 N ATOM 1656 NH2 ARG B 65 6.375 -8.668 -2.117 1.00 9.34 N ATOM 1657 HE ARG B 65 8.261 -7.605 -3.379 1.00 0.00 H ATOM 1658 HH12 ARG B 65 4.426 -9.009 -3.682 1.00 0.00 H ATOM 1659 HH11 ARG B 65 5.227 -8.292 -5.128 1.00 0.00 H ATOM 1660 HH22 ARG B 65 5.544 -9.117 -1.682 1.00 0.00 H ATOM 1661 HH21 ARG B 65 7.226 -8.486 -1.547 1.00 0.00 H ATOM 1662 H ARG B 65 7.657 -3.467 -3.831 1.00 0.00 H ATOM 1663 N PHE B 66 4.415 -2.802 -3.305 1.00 5.09 N ATOM 1664 CA PHE B 66 3.183 -2.285 -2.704 1.00 4.74 C ATOM 1665 C PHE B 66 3.003 -0.812 -2.994 1.00 4.84 C ATOM 1666 O PHE B 66 3.947 -0.037 -2.794 1.00 5.00 O ATOM 1667 CB PHE B 66 3.213 -2.481 -1.178 1.00 4.39 C ATOM 1668 CG PHE B 66 3.161 -3.916 -0.769 1.00 4.29 C ATOM 1669 CD1 PHE B 66 1.934 -4.513 -0.582 1.00 4.10 C ATOM 1670 CD2 PHE B 66 4.329 -4.656 -0.578 1.00 6.38 C ATOM 1671 CE1 PHE B 66 1.828 -5.854 -0.281 1.00 4.10 C ATOM 1672 CE2 PHE B 66 4.246 -6.019 -0.234 1.00 6.25 C ATOM 1673 CZ PHE B 66 2.982 -6.603 -0.089 1.00 6.35 C ATOM 1674 H PHE B 66 5.297 -2.744 -2.758 1.00 0.00 H ATOM 1675 N SER B 67 1.822 -0.415 -3.459 1.00 4.81 N ATOM 1676 CA SER B 67 1.585 1.002 -3.647 1.00 4.95 C ATOM 1677 C SER B 67 0.137 1.384 -3.381 1.00 4.76 C ATOM 1678 O SER B 67 -0.775 0.588 -3.555 1.00 5.29 O ATOM 1679 CB SER B 67 2.005 1.425 -5.034 1.00 7.30 C ATOM 1680 OG SER B 67 1.147 0.878 -6.011 1.00 8.14 O ATOM 1681 HG SER B 67 1.176 -0.110 -5.958 1.00 0.00 H ATOM 1682 H SER B 67 1.081 -1.110 -3.684 1.00 0.00 H ATOM 1683 N GLY B 68 -0.042 2.613 -2.924 1.00 5.37 N ATOM 1684 CA GLY B 68 -1.362 3.071 -2.520 1.00 7.12 C ATOM 1685 C GLY B 68 -1.713 4.309 -3.306 1.00 5.00 C ATOM 1686 O GLY B 68 -0.825 5.131 -3.620 1.00 5.30 O ATOM 1687 H GLY B 68 0.770 3.259 -2.853 1.00 0.00 H ATOM 1688 N SER B 69 -2.999 4.452 -3.610 1.00 5.05 N ATOM 1689 CA SER B 69 -3.471 5.646 -4.291 1.00 6.82 C ATOM 1690 C SER B 69 -4.879 5.972 -3.837 1.00 5.38 C ATOM 1691 O SER B 69 -5.506 5.183 -3.146 1.00 5.05 O ATOM 1692 CB SER B 69 -3.434 5.463 -5.812 1.00 7.42 C ATOM 1693 OG SER B 69 -2.104 5.353 -6.290 1.00 7.06 O ATOM 1694 HG SER B 69 -2.116 5.236 -7.273 1.00 0.00 H ATOM 1695 H SER B 69 -3.674 3.702 -3.358 1.00 0.00 H ATOM 1696 N GLY B 70 -5.374 7.131 -4.264 1.00 5.75 N ATOM 1697 CA GLY B 70 -6.748 7.509 -3.985 1.00 6.96 C ATOM 1698 C GLY B 70 -6.763 8.764 -3.136 1.00 5.92 C ATOM 1699 O GLY B 70 -5.732 9.234 -2.643 1.00 10.13 O ATOM 1700 H GLY B 70 -4.766 7.777 -4.807 1.00 0.00 H ATOM 1701 N SER B 71 -7.952 9.311 -2.943 1.00 6.09 N ATOM 1702 CA SER B 71 -8.142 10.453 -2.067 1.00 8.94 C ATOM 1703 C SER B 71 -9.619 10.450 -1.721 1.00 8.60 C ATOM 1704 O SER B 71 -10.404 9.768 -2.413 1.00 10.29 O ATOM 1705 CB SER B 71 -7.750 11.727 -2.757 1.00 8.83 C ATOM 1706 OG SER B 71 -8.592 11.876 -3.884 1.00 10.45 O ATOM 1707 HG SER B 71 -9.535 11.919 -3.586 1.00 0.00 H ATOM 1708 H SER B 71 -8.776 8.910 -3.434 1.00 0.00 H ATOM 1709 N GLY B 72 -10.020 11.215 -0.704 1.00 6.93 N ATOM 1710 CA GLY B 72 -11.435 11.502 -0.531 1.00 7.17 C ATOM 1711 C GLY B 72 -12.146 10.306 0.058 1.00 8.73 C ATOM 1712 O GLY B 72 -11.894 9.993 1.218 1.00 6.15 O ATOM 1713 H GLY B 72 -9.323 11.605 -0.038 1.00 0.00 H ATOM 1714 N THR B 73 -12.959 9.597 -0.743 1.00 6.26 N ATOM 1715 CA THR B 73 -13.643 8.410 -0.255 1.00 10.23 C ATOM 1716 C THR B 73 -13.223 7.133 -0.983 1.00 10.91 C ATOM 1717 O THR B 73 -13.736 6.079 -0.706 1.00 11.85 O ATOM 1718 CB THR B 73 -15.170 8.532 -0.400 1.00 9.83 C ATOM 1719 OG1 THR B 73 -15.474 8.806 -1.773 1.00 11.55 O ATOM 1720 CG2 THR B 73 -15.713 9.700 0.444 1.00 13.07 C ATOM 1721 HG1 THR B 73 -15.039 9.653 -2.043 1.00 0.00 H ATOM 1722 H THR B 73 -13.101 9.902 -1.727 1.00 0.00 H ATOM 1723 N ASP B 74 -12.320 7.215 -1.958 1.00 5.82 N ATOM 1724 CA ASP B 74 -12.000 5.982 -2.703 1.00 5.69 C ATOM 1725 C ASP B 74 -10.506 5.712 -2.770 1.00 5.44 C ATOM 1726 O ASP B 74 -9.745 6.569 -3.284 1.00 5.94 O ATOM 1727 CB ASP B 74 -12.525 6.101 -4.137 1.00 12.20 C ATOM 1728 CG ASP B 74 -14.007 6.445 -4.200 1.00 33.32 C ATOM 1729 OD1 ASP B 74 -14.814 5.856 -3.433 1.00 41.32 O ATOM 1730 OD2 ASP B 74 -14.361 7.311 -5.042 1.00 42.43 O ATOM 1731 H ASP B 74 -11.856 8.117 -2.187 1.00 0.00 H ATOM 1732 N PHE B 75 -10.077 4.563 -2.260 1.00 5.05 N ATOM 1733 CA PHE B 75 -8.643 4.297 -2.124 1.00 4.82 C ATOM 1734 C PHE B 75 -8.302 2.911 -2.679 1.00 4.73 C ATOM 1735 O PHE B 75 -9.146 2.026 -2.729 1.00 4.72 O ATOM 1736 CB PHE B 75 -8.221 4.376 -0.658 1.00 4.47 C ATOM 1737 CG PHE B 75 -8.400 5.729 -0.088 1.00 4.60 C ATOM 1738 CD1 PHE B 75 -9.638 6.097 0.412 1.00 4.69 C ATOM 1739 CD2 PHE B 75 -7.382 6.663 -0.187 1.00 4.75 C ATOM 1740 CE1 PHE B 75 -9.849 7.393 0.872 1.00 4.91 C ATOM 1741 CE2 PHE B 75 -7.553 7.958 0.289 1.00 4.96 C ATOM 1742 CZ PHE B 75 -8.790 8.334 0.805 1.00 5.05 C ATOM 1743 H PHE B 75 -10.765 3.846 -1.955 1.00 0.00 H ATOM 1744 N THR B 76 -7.073 2.727 -3.117 1.00 4.73 N ATOM 1745 CA THR B 76 -6.686 1.474 -3.764 1.00 4.73 C ATOM 1746 C THR B 76 -5.287 1.061 -3.379 1.00 6.49 C ATOM 1747 O THR B 76 -4.373 1.904 -3.299 1.00 4.59 O ATOM 1748 CB THR B 76 -6.732 1.565 -5.297 1.00 6.03 C ATOM 1749 OG1 THR B 76 -5.988 2.710 -5.728 1.00 5.98 O ATOM 1750 CG2 THR B 76 -8.168 1.660 -5.791 1.00 5.62 C ATOM 1751 HG1 THR B 76 -6.386 3.527 -5.336 1.00 0.00 H ATOM 1752 H THR B 76 -6.369 3.483 -3.001 1.00 0.00 H ATOM 1753 N LEU B 77 -5.133 -0.221 -3.118 1.00 4.38 N ATOM 1754 CA LEU B 77 -3.836 -0.828 -2.886 1.00 4.28 C ATOM 1755 C LEU B 77 -3.471 -1.688 -4.071 1.00 4.56 C ATOM 1756 O LEU B 77 -4.305 -2.474 -4.530 1.00 4.94 O ATOM 1757 CB LEU B 77 -3.866 -1.703 -1.618 1.00 3.95 C ATOM 1758 CG LEU B 77 -2.565 -2.431 -1.300 1.00 4.68 C ATOM 1759 CD1 LEU B 77 -1.542 -1.428 -0.834 1.00 4.88 C ATOM 1760 CD2 LEU B 77 -2.824 -3.405 -0.148 1.00 6.48 C ATOM 1761 H LEU B 77 -5.979 -0.825 -3.076 1.00 0.00 H ATOM 1762 N ASN B 78 -2.254 -1.554 -4.590 1.00 4.73 N ATOM 1763 CA ASN B 78 -1.841 -2.393 -5.698 1.00 5.04 C ATOM 1764 C ASN B 78 -0.627 -3.184 -5.238 1.00 4.98 C ATOM 1765 O ASN B 78 0.229 -2.656 -4.498 1.00 6.48 O ATOM 1766 CB ASN B 78 -1.487 -1.571 -6.954 1.00 5.45 C ATOM 1767 CG ASN B 78 -2.679 -1.353 -7.850 1.00 12.57 C ATOM 1768 OD1 ASN B 78 -3.039 -2.243 -8.632 1.00 8.86 O ATOM 1769 ND2 ASN B 78 -3.274 -0.176 -7.775 1.00 8.39 N ATOM 1770 HD22 ASN B 78 -2.932 0.538 -7.100 1.00 0.00 H ATOM 1771 HD21 ASN B 78 -4.085 0.037 -8.391 1.00 0.00 H ATOM 1772 H ASN B 78 -1.598 -0.847 -4.201 1.00 0.00 H ATOM 1773 N ILE B 79 -0.562 -4.450 -5.643 1.00 5.13 N ATOM 1774 CA ILE B 79 0.594 -5.286 -5.332 1.00 5.17 C ATOM 1775 C ILE B 79 1.043 -5.885 -6.604 1.00 5.62 C ATOM 1776 O ILE B 79 0.239 -6.546 -7.235 1.00 5.82 O ATOM 1777 CB ILE B 79 0.228 -6.420 -4.352 1.00 4.95 C ATOM 1778 CG1 ILE B 79 -0.468 -5.850 -3.131 1.00 4.54 C ATOM 1779 CG2 ILE B 79 1.471 -7.231 -3.972 1.00 7.34 C ATOM 1780 CD1 ILE B 79 -1.149 -6.944 -2.202 1.00 4.96 C ATOM 1781 H ILE B 79 -1.349 -4.851 -6.191 1.00 0.00 H ATOM 1782 N HIS B 80 2.277 -5.613 -7.021 1.00 6.47 N ATOM 1783 CA HIS B 80 2.783 -6.281 -8.238 1.00 6.38 C ATOM 1784 C HIS B 80 4.282 -6.184 -8.326 1.00 8.43 C ATOM 1785 O HIS B 80 4.852 -5.185 -7.919 1.00 6.93 O ATOM 1786 CB HIS B 80 2.150 -5.703 -9.496 1.00 7.12 C ATOM 1787 CG HIS B 80 2.628 -4.335 -9.857 1.00 13.51 C ATOM 1788 ND1 HIS B 80 3.598 -4.117 -10.816 1.00 21.71 N ATOM 1789 CD2 HIS B 80 2.249 -3.111 -9.419 1.00 14.86 C ATOM 1790 CE1 HIS B 80 3.816 -2.815 -10.928 1.00 22.66 C ATOM 1791 NE2 HIS B 80 3.012 -2.181 -10.091 1.00 21.06 N ATOM 1792 H HIS B 80 2.875 -4.941 -6.499 1.00 0.00 H ATOM 1793 N PRO B 81 4.905 -7.216 -8.863 1.00 7.00 N ATOM 1794 CA PRO B 81 4.282 -8.515 -9.187 1.00 7.15 C ATOM 1795 C PRO B 81 3.949 -9.246 -7.891 1.00 8.48 C ATOM 1796 O PRO B 81 4.696 -9.115 -6.938 1.00 7.72 O ATOM 1797 CB PRO B 81 5.382 -9.248 -9.956 1.00 10.12 C ATOM 1798 CG PRO B 81 6.653 -8.680 -9.364 1.00 10.42 C ATOM 1799 CD PRO B 81 6.355 -7.208 -9.183 1.00 7.39 C ATOM 1800 N VAL B 82 2.857 -10.001 -7.863 1.00 6.72 N ATOM 1801 CA VAL B 82 2.559 -10.825 -6.695 1.00 6.47 C ATOM 1802 C VAL B 82 3.545 -11.966 -6.504 1.00 6.78 C ATOM 1803 O VAL B 82 3.957 -12.642 -7.467 1.00 7.76 O ATOM 1804 CB VAL B 82 1.161 -11.388 -6.823 1.00 8.04 C ATOM 1805 CG1 VAL B 82 0.935 -12.445 -5.778 1.00 8.91 C ATOM 1806 CG2 VAL B 82 0.170 -10.232 -6.632 1.00 7.42 C ATOM 1807 H VAL B 82 2.210 -10.005 -8.678 1.00 0.00 H ATOM 1808 N GLU B 83 3.951 -12.175 -5.258 1.00 6.52 N ATOM 1809 CA GLU B 83 4.872 -13.256 -4.894 1.00 6.83 C ATOM 1810 C GLU B 83 4.256 -14.139 -3.815 1.00 6.67 C ATOM 1811 O GLU B 83 3.292 -13.724 -3.178 1.00 6.25 O ATOM 1812 CB GLU B 83 6.204 -12.679 -4.386 1.00 7.93 C ATOM 1813 CG GLU B 83 6.836 -11.708 -5.412 1.00 10.12 C ATOM 1814 CD GLU B 83 8.206 -11.178 -5.030 1.00 16.71 C ATOM 1815 OE1 GLU B 83 8.669 -11.370 -3.870 1.00 18.31 O ATOM 1816 OE2 GLU B 83 8.853 -10.570 -5.927 1.00 19.40 O ATOM 1817 H GLU B 83 3.601 -11.545 -4.508 1.00 0.00 H ATOM 1818 N GLU B 84 4.830 -15.342 -3.592 1.00 7.04 N ATOM 1819 CA GLU B 84 4.234 -16.284 -2.629 1.00 7.00 C ATOM 1820 C GLU B 84 3.978 -15.650 -1.273 1.00 6.45 C ATOM 1821 O GLU B 84 2.939 -15.886 -0.652 1.00 6.25 O ATOM 1822 CB GLU B 84 5.134 -17.493 -2.418 1.00 7.50 C ATOM 1823 CG GLU B 84 5.192 -18.381 -3.641 1.00 10.42 C ATOM 1824 CD GLU B 84 4.015 -19.395 -3.786 1.00 22.49 C ATOM 1825 OE1 GLU B 84 2.900 -19.147 -3.249 1.00 17.37 O ATOM 1826 OE2 GLU B 84 4.214 -20.439 -4.479 1.00 23.87 O ATOM 1827 H GLU B 84 5.697 -15.604 -4.103 1.00 0.00 H ATOM 1828 N GLU B 85 4.890 -14.805 -0.840 1.00 6.25 N ATOM 1829 CA GLU B 85 4.790 -14.257 0.510 1.00 5.81 C ATOM 1830 C GLU B 85 3.720 -13.176 0.641 1.00 5.33 C ATOM 1831 O GLU B 85 3.428 -12.754 1.770 1.00 5.33 O ATOM 1832 CB GLU B 85 6.131 -13.700 0.971 1.00 8.86 C ATOM 1833 CG GLU B 85 6.497 -12.370 0.358 1.00 13.15 C ATOM 1834 CD GLU B 85 7.254 -12.497 -0.946 1.00 14.68 C ATOM 1835 OE1 GLU B 85 7.426 -13.614 -1.488 1.00 10.43 O ATOM 1836 OE2 GLU B 85 7.705 -11.440 -1.426 1.00 19.84 O ATOM 1837 H GLU B 85 5.680 -14.528 -1.458 1.00 0.00 H ATOM 1838 N ASP B 86 3.076 -12.800 -0.465 1.00 5.37 N ATOM 1839 CA ASP B 86 1.981 -11.853 -0.380 1.00 5.00 C ATOM 1840 C ASP B 86 0.639 -12.439 0.034 1.00 5.39 C ATOM 1841 O ASP B 86 -0.308 -11.684 0.258 1.00 4.64 O ATOM 1842 CB ASP B 86 1.797 -11.183 -1.727 1.00 5.14 C ATOM 1843 CG ASP B 86 3.043 -10.436 -2.148 1.00 7.79 C ATOM 1844 OD1 ASP B 86 3.829 -10.033 -1.253 1.00 9.36 O ATOM 1845 OD2 ASP B 86 3.252 -10.255 -3.374 1.00 6.04 O ATOM 1846 H ASP B 86 3.359 -13.186 -1.388 1.00 0.00 H ATOM 1847 N ALA B 87 0.540 -13.768 0.050 1.00 5.25 N ATOM 1848 CA ALA B 87 -0.702 -14.378 0.487 1.00 5.25 C ATOM 1849 C ALA B 87 -0.945 -14.034 1.949 1.00 6.84 C ATOM 1850 O ALA B 87 -0.121 -14.349 2.840 1.00 5.52 O ATOM 1851 CB ALA B 87 -0.682 -15.923 0.276 1.00 5.76 C ATOM 1852 H ALA B 87 1.342 -14.360 -0.247 1.00 0.00 H ATOM 1853 N ALA B 88 -2.072 -13.383 2.202 1.00 4.61 N ATOM 1854 CA ALA B 88 -2.348 -12.727 3.491 1.00 4.23 C ATOM 1855 C ALA B 88 -3.713 -12.102 3.447 1.00 4.09 C ATOM 1856 O ALA B 88 -4.313 -12.030 2.384 1.00 4.25 O ATOM 1857 CB ALA B 88 -1.343 -11.606 3.789 1.00 3.96 C ATOM 1858 H ALA B 88 -2.794 -13.333 1.456 1.00 0.00 H ATOM 1859 N THR B 89 -4.176 -11.611 4.597 1.00 3.82 N ATOM 1860 CA THR B 89 -5.387 -10.803 4.599 1.00 3.68 C ATOM 1861 C THR B 89 -4.961 -9.335 4.726 1.00 5.11 C ATOM 1862 O THR B 89 -4.063 -9.005 5.512 1.00 7.34 O ATOM 1863 CB THR B 89 -6.345 -11.228 5.732 1.00 4.83 C ATOM 1864 OG1 THR B 89 -6.831 -12.568 5.450 1.00 5.88 O ATOM 1865 CG2 THR B 89 -7.562 -10.310 5.781 1.00 6.37 C ATOM 1866 HG1 THR B 89 -6.065 -13.193 5.404 1.00 0.00 H ATOM 1867 H THR B 89 -3.675 -11.804 5.488 1.00 0.00 H ATOM 1868 N TYR B 90 -5.565 -8.474 3.904 1.00 3.38 N ATOM 1869 CA TYR B 90 -5.238 -7.033 3.872 1.00 3.18 C ATOM 1870 C TYR B 90 -6.403 -6.211 4.416 1.00 3.07 C ATOM 1871 O TYR B 90 -7.549 -6.528 4.135 1.00 3.23 O ATOM 1872 CB TYR B 90 -4.917 -6.589 2.433 1.00 3.35 C ATOM 1873 CG TYR B 90 -3.673 -7.251 1.971 1.00 3.48 C ATOM 1874 CD1 TYR B 90 -2.462 -6.617 2.113 1.00 3.40 C ATOM 1875 CD2 TYR B 90 -3.700 -8.553 1.439 1.00 3.75 C ATOM 1876 CE1 TYR B 90 -1.282 -7.217 1.703 1.00 3.58 C ATOM 1877 CE2 TYR B 90 -2.543 -9.190 1.044 1.00 3.92 C ATOM 1878 CZ TYR B 90 -1.335 -8.523 1.170 1.00 4.37 C ATOM 1879 OH TYR B 90 -0.161 -9.121 0.795 1.00 4.07 O ATOM 1880 HH TYR B 90 -0.028 -9.946 1.326 1.00 0.00 H ATOM 1881 H TYR B 90 -6.297 -8.833 3.258 1.00 0.00 H ATOM 1882 N TYR B 91 -6.113 -5.172 5.187 1.00 2.87 N ATOM 1883 CA TYR B 91 -7.168 -4.322 5.773 1.00 2.81 C ATOM 1884 C TYR B 91 -6.871 -2.864 5.464 1.00 2.78 C ATOM 1885 O TYR B 91 -5.724 -2.419 5.636 1.00 3.77 O ATOM 1886 CB TYR B 91 -7.237 -4.454 7.303 1.00 2.65 C ATOM 1887 CG TYR B 91 -7.618 -5.799 7.779 1.00 2.73 C ATOM 1888 CD1 TYR B 91 -8.954 -6.132 7.937 1.00 3.50 C ATOM 1889 CD2 TYR B 91 -6.630 -6.721 8.112 1.00 2.90 C ATOM 1890 CE1 TYR B 91 -9.337 -7.380 8.362 1.00 3.03 C ATOM 1891 CE2 TYR B 91 -6.978 -7.997 8.557 1.00 4.89 C ATOM 1892 CZ TYR B 91 -8.345 -8.291 8.699 1.00 5.44 C ATOM 1893 OH TYR B 91 -8.732 -9.519 9.144 1.00 6.94 O ATOM 1894 HH TYR B 91 -9.720 -9.557 9.185 1.00 0.00 H ATOM 1895 H TYR B 91 -5.116 -4.950 5.384 1.00 0.00 H ATOM 1896 N CYS B 92 -7.889 -2.104 5.102 1.00 2.90 N ATOM 1897 CA CYS B 92 -7.705 -0.654 5.084 1.00 2.92 C ATOM 1898 C CYS B 92 -8.171 -0.110 6.438 1.00 2.82 C ATOM 1899 O CYS B 92 -8.898 -0.780 7.185 1.00 2.78 O ATOM 1900 CB CYS B 92 -8.447 -0.003 3.932 1.00 4.37 C ATOM 1901 SG CYS B 92 -10.215 -0.375 3.886 1.00 7.39 S ATOM 1902 H CYS B 92 -8.801 -2.528 4.836 1.00 0.00 H ATOM 1903 N GLN B 93 -7.675 1.057 6.800 1.00 2.81 N ATOM 1904 CA GLN B 93 -8.036 1.663 8.090 1.00 2.77 C ATOM 1905 C GLN B 93 -8.094 3.168 7.934 1.00 2.96 C ATOM 1906 O GLN B 93 -7.171 3.726 7.345 1.00 4.27 O ATOM 1907 CB GLN B 93 -6.987 1.326 9.154 1.00 2.58 C ATOM 1908 CG GLN B 93 -7.380 1.883 10.557 1.00 3.14 C ATOM 1909 CD GLN B 93 -6.193 2.159 11.471 1.00 5.60 C ATOM 1910 OE1 GLN B 93 -5.117 2.540 11.021 1.00 3.11 O ATOM 1911 NE2 GLN B 93 -6.412 1.999 12.815 1.00 4.72 N ATOM 1912 HE22 GLN B 93 -7.339 1.674 13.156 1.00 0.00 H ATOM 1913 HE21 GLN B 93 -5.651 2.203 13.494 1.00 0.00 H ATOM 1914 H GLN B 93 -7.020 1.555 6.165 1.00 0.00 H ATOM 1915 N GLN B 94 -9.109 3.856 8.474 1.00 3.10 N ATOM 1916 CA GLN B 94 -9.019 5.316 8.436 1.00 3.34 C ATOM 1917 C GLN B 94 -8.801 5.874 9.822 1.00 3.33 C ATOM 1918 O GLN B 94 -9.336 5.329 10.800 1.00 3.22 O ATOM 1919 CB GLN B 94 -10.270 5.960 7.832 1.00 3.65 C ATOM 1920 CG GLN B 94 -11.564 5.805 8.652 1.00 3.73 C ATOM 1921 CD GLN B 94 -11.721 6.838 9.785 1.00 3.88 C ATOM 1922 OE1 GLN B 94 -11.183 7.926 9.718 1.00 4.05 O ATOM 1923 NE2 GLN B 94 -12.487 6.478 10.806 1.00 3.87 N ATOM 1924 HE22 GLN B 94 -12.927 5.536 10.819 1.00 0.00 H ATOM 1925 HE21 GLN B 94 -12.648 7.138 11.593 1.00 0.00 H ATOM 1926 H GLN B 94 -9.925 3.373 8.901 1.00 0.00 H ATOM 1927 N THR B 95 -8.075 6.984 9.875 1.00 3.50 N ATOM 1928 CA THR B 95 -7.654 7.594 11.130 1.00 3.55 C ATOM 1929 C THR B 95 -7.881 9.095 11.044 1.00 3.96 C ATOM 1930 O THR B 95 -7.289 9.890 11.768 1.00 4.13 O ATOM 1931 CB THR B 95 -6.164 7.274 11.445 1.00 3.39 C ATOM 1932 OG1 THR B 95 -5.358 7.728 10.358 1.00 3.54 O ATOM 1933 CG2 THR B 95 -5.919 5.753 11.651 1.00 3.05 C ATOM 1934 HG1 THR B 95 -4.407 7.529 10.548 1.00 0.00 H ATOM 1935 H THR B 95 -7.794 7.438 8.982 1.00 0.00 H ATOM 1936 N ASN B 96 -8.866 9.457 10.223 1.00 4.17 N ATOM 1937 CA ASN B 96 -9.293 10.849 10.121 1.00 4.64 C ATOM 1938 C ASN B 96 -10.249 11.283 11.226 1.00 6.27 C ATOM 1939 O ASN B 96 -10.084 12.364 11.808 1.00 9.30 O ATOM 1940 CB ASN B 96 -9.972 11.071 8.768 1.00 4.87 C ATOM 1941 CG ASN B 96 -10.311 12.522 8.525 1.00 7.61 C ATOM 1942 OD1 ASN B 96 -9.537 13.398 8.870 1.00 8.28 O ATOM 1943 ND2 ASN B 96 -11.437 12.779 7.875 1.00 6.76 N ATOM 1944 HD22 ASN B 96 -12.068 12.000 7.600 1.00 0.00 H ATOM 1945 HD21 ASN B 96 -11.689 13.760 7.640 1.00 0.00 H ATOM 1946 H ASN B 96 -9.339 8.734 9.644 1.00 0.00 H ATOM 1947 N GLU B 97 -11.263 10.460 11.492 1.00 4.72 N ATOM 1948 CA GLU B 97 -12.280 10.781 12.495 1.00 5.52 C ATOM 1949 C GLU B 97 -12.471 9.615 13.452 1.00 5.30 C ATOM 1950 O GLU B 97 -12.229 8.468 13.113 1.00 6.41 O ATOM 1951 CB GLU B 97 -13.622 11.128 11.842 1.00 6.84 C ATOM 1952 CG GLU B 97 -13.605 12.362 10.878 1.00 22.20 C ATOM 1953 CD GLU B 97 -13.591 13.722 11.577 1.00 30.60 C ATOM 1954 OE1 GLU B 97 -13.753 13.767 12.829 1.00 33.62 O ATOM 1955 OE2 GLU B 97 -13.397 14.766 10.878 1.00 23.81 O ATOM 1956 H GLU B 97 -11.334 9.563 10.971 1.00 0.00 H ATOM 1957 N ASP B 98 -12.870 9.948 14.669 1.00 6.21 N ATOM 1958 CA ASP B 98 -13.162 8.928 15.677 1.00 7.61 C ATOM 1959 C ASP B 98 -14.558 8.379 15.538 1.00 9.81 C ATOM 1960 O ASP B 98 -15.477 9.131 15.190 1.00 7.87 O ATOM 1961 CB ASP B 98 -13.049 9.531 17.070 1.00 4.69 C ATOM 1962 CG ASP B 98 -11.680 10.052 17.361 1.00 11.23 C ATOM 1963 OD1 ASP B 98 -10.696 9.544 16.772 1.00 9.82 O ATOM 1964 OD2 ASP B 98 -11.580 10.969 18.206 1.00 12.95 O ATOM 1965 H ASP B 98 -12.978 10.953 14.914 1.00 0.00 H ATOM 1966 N PRO B 99 -14.738 7.085 15.837 1.00 4.37 N ATOM 1967 CA PRO B 99 -13.673 6.133 16.127 1.00 3.96 C ATOM 1968 C PRO B 99 -12.915 5.713 14.858 1.00 3.72 C ATOM 1969 O PRO B 99 -13.497 5.659 13.767 1.00 3.83 O ATOM 1970 CB PRO B 99 -14.442 4.935 16.709 1.00 3.92 C ATOM 1971 CG PRO B 99 -15.766 4.980 15.943 1.00 4.69 C ATOM 1972 CD PRO B 99 -16.076 6.460 15.937 1.00 5.72 C ATOM 1973 N TYR B 100 -11.635 5.415 14.987 1.00 3.45 N ATOM 1974 CA TYR B 100 -10.929 4.864 13.819 1.00 3.25 C ATOM 1975 C TYR B 100 -11.667 3.588 13.414 1.00 7.03 C ATOM 1976 O TYR B 100 -12.184 2.867 14.263 1.00 3.65 O ATOM 1977 CB TYR B 100 -9.489 4.503 14.124 1.00 3.01 C ATOM 1978 CG TYR B 100 -8.611 5.618 14.606 1.00 3.42 C ATOM 1979 CD1 TYR B 100 -8.988 6.972 14.510 1.00 3.44 C ATOM 1980 CD2 TYR B 100 -7.357 5.294 15.109 1.00 5.96 C ATOM 1981 CE1 TYR B 100 -8.106 7.987 14.979 1.00 3.63 C ATOM 1982 CE2 TYR B 100 -6.502 6.267 15.543 1.00 7.44 C ATOM 1983 CZ TYR B 100 -6.886 7.595 15.495 1.00 6.48 C ATOM 1984 OH TYR B 100 -5.998 8.525 15.984 1.00 13.20 O ATOM 1985 HH TYR B 100 -6.387 9.431 15.894 1.00 0.00 H ATOM 1986 H TYR B 100 -11.140 5.565 15.889 1.00 0.00 H ATOM 1987 N THR B 101 -11.681 3.303 12.118 1.00 3.37 N ATOM 1988 CA THR B 101 -12.403 2.141 11.627 1.00 3.37 C ATOM 1989 C THR B 101 -11.541 1.394 10.609 1.00 4.14 C ATOM 1990 O THR B 101 -10.644 1.978 9.995 1.00 3.41 O ATOM 1991 CB THR B 101 -13.782 2.561 11.038 1.00 4.86 C ATOM 1992 OG1 THR B 101 -13.585 3.650 10.130 1.00 4.63 O ATOM 1993 CG2 THR B 101 -14.743 2.991 12.154 1.00 8.50 C ATOM 1994 HG1 THR B 101 -14.457 3.924 9.750 1.00 0.00 H ATOM 1995 H THR B 101 -11.172 3.915 11.449 1.00 0.00 H ATOM 1996 N PHE B 102 -11.808 0.079 10.490 1.00 2.95 N ATOM 1997 CA PHE B 102 -11.160 -0.810 9.522 1.00 2.87 C ATOM 1998 C PHE B 102 -12.160 -1.326 8.485 1.00 3.10 C ATOM 1999 O PHE B 102 -13.411 -1.494 8.766 1.00 3.33 O ATOM 2000 CB PHE B 102 -10.532 -2.001 10.228 1.00 2.99 C ATOM 2001 CG PHE B 102 -9.367 -1.671 11.149 1.00 3.39 C ATOM 2002 CD1 PHE B 102 -9.594 -1.287 12.472 1.00 2.57 C ATOM 2003 CD2 PHE B 102 -8.044 -1.800 10.712 1.00 2.41 C ATOM 2004 CE1 PHE B 102 -8.530 -1.055 13.307 1.00 3.53 C ATOM 2005 CE2 PHE B 102 -7.005 -1.544 11.556 1.00 3.94 C ATOM 2006 CZ PHE B 102 -7.255 -1.173 12.864 1.00 2.54 C ATOM 2007 H PHE B 102 -12.520 -0.332 11.127 1.00 0.00 H ATOM 2008 N GLY B 103 -11.644 -1.620 7.306 1.00 3.12 N ATOM 2009 CA GLY B 103 -12.454 -2.338 6.339 1.00 4.09 C ATOM 2010 C GLY B 103 -12.568 -3.796 6.809 1.00 5.40 C ATOM 2011 O GLY B 103 -11.895 -4.245 7.777 1.00 3.18 O ATOM 2012 H GLY B 103 -10.670 -1.341 7.073 1.00 0.00 H ATOM 2013 N GLY B 104 -13.424 -4.548 6.129 1.00 6.67 N ATOM 2014 CA GLY B 104 -13.681 -5.906 6.574 1.00 6.01 C ATOM 2015 C GLY B 104 -12.664 -6.935 6.159 1.00 7.52 C ATOM 2016 O GLY B 104 -12.787 -8.096 6.554 1.00 8.93 O ATOM 2017 H GLY B 104 -13.905 -4.170 5.288 1.00 0.00 H ATOM 2018 N GLY B 105 -11.681 -6.549 5.346 1.00 7.72 N ATOM 2019 CA GLY B 105 -10.610 -7.473 4.980 1.00 3.59 C ATOM 2020 C GLY B 105 -10.752 -7.991 3.582 1.00 7.52 C ATOM 2021 O GLY B 105 -11.875 -8.080 3.039 1.00 6.41 O ATOM 2022 H GLY B 105 -11.676 -5.580 4.968 1.00 0.00 H ATOM 2023 N THR B 106 -9.596 -8.281 2.998 1.00 5.11 N ATOM 2024 CA THR B 106 -9.503 -8.936 1.681 1.00 5.10 C ATOM 2025 C THR B 106 -8.463 -10.036 1.815 1.00 5.01 C ATOM 2026 O THR B 106 -7.309 -9.759 2.129 1.00 7.10 O ATOM 2027 CB THR B 106 -9.059 -7.955 0.566 1.00 4.17 C ATOM 2028 OG1 THR B 106 -10.102 -7.028 0.318 1.00 9.68 O ATOM 2029 CG2 THR B 106 -8.744 -8.788 -0.756 1.00 5.43 C ATOM 2030 HG1 THR B 106 -10.913 -7.516 0.028 1.00 0.00 H ATOM 2031 H THR B 106 -8.715 -8.035 3.493 1.00 0.00 H ATOM 2032 N LYS B 107 -8.869 -11.283 1.617 1.00 4.56 N ATOM 2033 CA LYS B 107 -7.901 -12.376 1.614 1.00 4.75 C ATOM 2034 C LYS B 107 -7.313 -12.584 0.211 1.00 6.04 C ATOM 2035 O LYS B 107 -8.061 -12.921 -0.705 1.00 5.32 O ATOM 2036 CB LYS B 107 -8.562 -13.675 2.036 1.00 5.69 C ATOM 2037 CG LYS B 107 -7.536 -14.832 2.198 1.00 5.25 C ATOM 2038 CD LYS B 107 -8.207 -16.097 2.722 1.00 13.77 C ATOM 2039 CE LYS B 107 -7.209 -17.258 2.705 1.00 13.79 C ATOM 2040 NZ LYS B 107 -7.859 -18.354 3.386 1.00 16.95 N ATOM 2041 HZ1 LYS B 107 -8.087 -18.069 4.360 1.00 0.00 H ATOM 2042 HZ2 LYS B 107 -8.734 -18.603 2.882 1.00 0.00 H ATOM 2043 HZ3 LYS B 107 -7.222 -19.176 3.404 1.00 0.00 H ATOM 2044 H LYS B 107 -9.878 -11.483 1.464 1.00 0.00 H ATOM 2045 N LEU B 108 -5.995 -12.406 0.077 1.00 4.85 N ATOM 2046 CA LEU B 108 -5.275 -12.607 -1.166 1.00 5.12 C ATOM 2047 C LEU B 108 -4.691 -14.014 -1.140 1.00 5.47 C ATOM 2048 O LEU B 108 -3.897 -14.302 -0.227 1.00 6.43 O ATOM 2049 CB LEU B 108 -4.148 -11.567 -1.291 1.00 4.86 C ATOM 2050 CG LEU B 108 -3.278 -11.697 -2.528 1.00 7.06 C ATOM 2051 CD1 LEU B 108 -4.182 -11.791 -3.697 1.00 10.98 C ATOM 2052 CD2 LEU B 108 -2.446 -10.434 -2.675 1.00 7.70 C ATOM 2053 H LEU B 108 -5.454 -12.106 0.913 1.00 0.00 H ATOM 2054 N GLU B 109 -5.088 -14.861 -2.108 1.00 5.95 N ATOM 2055 CA GLU B 109 -4.572 -16.226 -2.284 1.00 6.41 C ATOM 2056 C GLU B 109 -3.843 -16.290 -3.594 1.00 9.23 C ATOM 2057 O GLU B 109 -4.141 -15.518 -4.489 1.00 8.93 O ATOM 2058 CB GLU B 109 -5.680 -17.276 -2.338 1.00 12.21 C ATOM 2059 CG GLU B 109 -6.493 -17.431 -1.092 1.00 26.78 C ATOM 2060 CD GLU B 109 -7.472 -18.579 -1.280 1.00 39.55 C ATOM 2061 OE1 GLU B 109 -7.902 -18.784 -2.437 1.00 42.10 O ATOM 2062 OE2 GLU B 109 -7.766 -19.301 -0.302 1.00 46.47 O ATOM 2063 H GLU B 109 -5.810 -14.526 -2.778 1.00 0.00 H ATOM 2064 N ILE B 110 -2.916 -17.237 -3.706 1.00 7.08 N ATOM 2065 CA ILE B 110 -2.276 -17.497 -4.967 1.00 7.51 C ATOM 2066 C ILE B 110 -3.073 -18.487 -5.768 1.00 11.85 C ATOM 2067 O ILE B 110 -3.441 -19.533 -5.277 1.00 11.73 O ATOM 2068 CB ILE B 110 -0.854 -18.021 -4.762 1.00 7.79 C ATOM 2069 CG1 ILE B 110 -0.085 -17.092 -3.828 1.00 10.21 C ATOM 2070 CG2 ILE B 110 -0.181 -18.247 -6.123 1.00 9.96 C ATOM 2071 CD1 ILE B 110 -0.047 -15.630 -4.338 1.00 9.42 C ATOM 2072 H ILE B 110 -2.651 -17.797 -2.871 1.00 0.00 H ATOM 2073 N LYS B 111 -3.353 -18.102 -7.013 1.00 16.02 N ATOM 2074 CA LYS B 111 -4.018 -18.948 -7.971 1.00 20.07 C ATOM 2075 C LYS B 111 -2.929 -19.724 -8.725 1.00 26.39 C ATOM 2076 O LYS B 111 -3.050 -20.925 -8.936 1.00 35.97 O ATOM 2077 CB LYS B 111 -4.846 -18.086 -8.924 1.00 15.43 C ATOM 2078 CG LYS B 111 -5.871 -18.829 -9.688 1.00 25.90 C ATOM 2079 CD LYS B 111 -6.927 -17.861 -10.196 1.00 28.20 C ATOM 2080 CE LYS B 111 -6.352 -16.767 -11.035 1.00 29.19 C ATOM 2081 NZ LYS B 111 -7.468 -15.822 -11.372 1.00 31.10 N ATOM 2082 HZ1 LYS B 111 -8.207 -16.333 -11.897 1.00 0.00 H ATOM 2083 HZ2 LYS B 111 -7.869 -15.435 -10.494 1.00 0.00 H ATOM 2084 HZ3 LYS B 111 -7.099 -15.046 -11.958 1.00 0.00 H ATOM 2085 H LYS B 111 -3.078 -17.143 -7.307 1.00 0.00 H TER 2086 LYS B 111 HETATM 2087 O HOH 1 6.596 -4.656 18.653 1.00 8.70 O HETATM 2088 O HOH 2 -14.469 0.168 17.111 1.00 9.37 O HETATM 2089 O HOH 3 -6.276 0.095 33.027 1.00 5.92 O HETATM 2090 O HOH 4 -8.809 -6.450 36.489 1.00 6.39 O HETATM 2091 O HOH 5 3.820 -6.261 29.083 1.00 12.80 O HETATM 2092 O HOH 6 -7.931 0.267 35.302 1.00 9.68 O HETATM 2093 O HOH 7 -2.296 -10.622 29.858 1.00 10.91 O HETATM 2094 O HOH 8 10.902 8.478 22.403 1.00 13.63 O HETATM 2095 O HOH 9 -14.390 7.259 19.359 1.00 5.79 O HETATM 2096 O HOH 10 -14.162 -6.551 24.206 1.00 11.06 O HETATM 2097 O HOH 11 -3.614 1.826 27.995 1.00 6.06 O HETATM 2098 O HOH 12 -3.048 6.554 33.150 1.00 8.95 O HETATM 2099 O HOH 13 -14.163 8.332 25.373 1.00 12.79 O HETATM 2100 O HOH 14 -0.435 7.364 17.914 1.00 6.56 O HETATM 2101 O HOH 15 0.949 -12.447 24.609 1.00 14.74 O HETATM 2102 O HOH 16 -13.221 -8.579 15.618 1.00 13.24 O HETATM 2103 O HOH 17 -1.681 -6.944 26.158 1.00 6.08 O HETATM 2104 O HOH 18 -13.355 -18.102 24.429 1.00 10.53 O HETATM 2105 O HOH 19 -1.148 -12.070 16.587 1.00 10.32 O HETATM 2106 O HOH 20 -7.867 6.188 32.573 1.00 10.95 O HETATM 2107 O HOH 21 9.309 -3.943 25.368 1.00 14.84 O HETATM 2108 O HOH 22 7.546 9.120 34.742 1.00 15.21 O HETATM 2109 O HOH 23 -15.387 -13.621 20.571 1.00 14.48 O HETATM 2110 O HOH 24 -11.372 -15.155 35.762 1.00 15.46 O HETATM 2111 O HOH 25 -12.799 -1.636 32.184 1.00 10.30 O HETATM 2112 O HOH 26 -5.773 -9.274 35.537 1.00 10.31 O HETATM 2113 O HOH 27 3.649 5.967 23.140 1.00 8.31 O HETATM 2114 O HOH 28 -15.990 -8.305 37.519 1.00 17.26 O HETATM 2115 O HOH 29 -15.215 -15.228 16.266 1.00 19.02 O HETATM 2116 O HOH 30 -5.687 7.748 32.688 1.00 18.82 O HETATM 2117 O HOH 31 -13.066 -15.206 38.067 1.00 20.53 O HETATM 2118 O HOH 32 -12.028 -10.299 38.416 1.00 16.41 O HETATM 2119 O HOH 33 2.955 -2.432 11.712 1.00 19.03 O HETATM 2120 O HOH 34 1.750 12.730 24.311 1.00 24.59 O HETATM 2121 O HOH 35 3.684 13.149 31.814 1.00 14.77 O HETATM 2122 O HOH 36 6.561 -7.949 21.037 1.00 22.02 O HETATM 2123 O HOH 37 2.169 7.804 34.576 1.00 16.22 O HETATM 2124 O HOH 38 -14.862 -16.604 20.591 1.00 18.80 O HETATM 2125 O HOH 39 -9.754 11.554 29.338 1.00 16.94 O HETATM 2126 O HOH 40 -12.793 8.531 28.229 1.00 13.56 O HETATM 2127 O HOH 41 -10.739 -22.862 36.577 1.00 17.45 O HETATM 2128 O HOH 42 -16.118 11.590 18.432 1.00 17.57 O HETATM 2129 O HOH 43 -16.804 8.944 19.060 1.00 13.74 O HETATM 2130 O HOH 44 4.992 -3.578 14.488 1.00 20.42 O HETATM 2131 O HOH 45 -21.500 1.344 25.949 1.00 24.48 O HETATM 2132 O HOH 46 4.647 6.594 36.135 1.00 23.12 O HETATM 2133 O HOH 47 -19.198 8.355 17.590 1.00 12.88 O HETATM 2134 O HOH 48 -16.771 6.843 23.607 1.00 22.92 O HETATM 2135 O HOH 49 -14.222 -3.746 12.272 1.00 24.28 O HETATM 2136 O HOH 50 -2.810 1.105 35.728 1.00 16.01 O HETATM 2137 O HOH 51 11.727 7.975 15.374 1.00 20.14 O HETATM 2138 O HOH 52 -15.893 -17.133 24.151 1.00 24.52 O HETATM 2139 O HOH 53 -1.435 -6.295 33.778 1.00 24.22 O HETATM 2140 O HOH 54 -8.720 -13.073 12.271 1.00 19.18 O HETATM 2141 O HOH 55 10.663 -0.617 14.972 1.00 28.49 O HETATM 2142 O HOH 56 -0.150 6.818 35.276 1.00 16.13 O HETATM 2143 O HOH 57 7.805 7.816 29.780 1.00 23.66 O HETATM 2144 O HOH 58 -8.196 -13.323 16.662 1.00 22.81 O HETATM 2145 O HOH 59 7.763 -3.047 16.745 1.00 23.85 O HETATM 2146 O HOH 60 2.262 -12.049 31.319 1.00 17.43 O HETATM 2147 O HOH 61 -12.293 11.778 25.536 1.00 30.49 O HETATM 2148 O HOH 62 4.982 14.822 26.149 1.00 21.74 O HETATM 2149 O HOH 63 -13.989 7.157 30.217 1.00 18.23 O HETATM 2150 O HOH 64 -17.021 -10.243 12.427 1.00 26.11 O HETATM 2151 O HOH 65 6.558 2.732 37.844 1.00 27.23 O HETATM 2152 O HOH 66 13.693 -1.701 16.002 1.00 21.94 O HETATM 2153 O HOH 67 -0.414 -10.484 33.010 1.00 21.85 O HETATM 2154 O HOH 68 11.549 4.373 14.189 1.00 22.78 O HETATM 2155 O HOH 69 -16.170 -6.839 19.250 1.00 19.69 O HETATM 2156 O HOH 70 1.882 -11.433 16.763 1.00 31.58 O HETATM 2157 O HOH 71 -12.497 -17.718 21.890 1.00 14.65 O HETATM 2158 O HOH 72 12.712 5.523 16.415 1.00 26.36 O HETATM 2159 O HOH 73 4.159 11.545 34.014 1.00 23.73 O HETATM 2160 O HOH 74 4.350 15.874 28.861 1.00 25.06 O HETATM 2161 O HOH 75 10.493 2.836 26.028 1.00 21.96 O HETATM 2162 O HOH 76 -1.755 -1.392 36.515 1.00 27.21 O HETATM 2163 O HOH 77 12.699 5.544 19.050 1.00 26.42 O HETATM 2164 O HOH 78 -6.345 -0.478 37.359 1.00 18.38 O HETATM 2165 O HOH 79 15.268 -1.002 13.933 1.00 34.50 O HETATM 2166 O HOH 80 0.939 5.215 36.959 1.00 30.51 O HETATM 2167 O HOH 81 9.516 -0.075 29.165 1.00 20.93 O HETATM 2168 O HOH 82 -3.497 -10.400 32.248 1.00 24.20 O HETATM 2169 O HOH 83 -21.320 -8.793 30.751 1.00 36.66 O HETATM 2170 O HOH 84 -15.168 -17.461 18.052 1.00 30.97 O HETATM 2171 O HOH 85 9.088 13.887 26.212 1.00 30.00 O HETATM 2172 O HOH 86 -0.836 -14.696 31.159 1.00 26.07 O HETATM 2173 O HOH 87 -17.994 -5.268 22.824 1.00 46.45 O HETATM 2174 O HOH 88 -8.601 -21.043 26.662 1.00 20.27 O HETATM 2175 O HOH 89 -20.495 -7.087 28.790 1.00 30.30 O HETATM 2176 O HOH 90 5.028 1.083 39.275 1.00 40.60 O HETATM 2177 O HOH 91 -16.060 -11.987 39.089 1.00 25.10 O HETATM 2178 O HOH 92 -20.945 4.568 24.568 1.00 16.50 O HETATM 2179 O HOH 93 1.656 15.277 23.729 1.00 34.81 O HETATM 2180 O HOH 94 -5.669 -12.203 15.602 1.00 19.06 O HETATM 2181 O HOH 95 -7.009 12.769 20.871 1.00 23.71 O HETATM 2182 O HOH 96 1.013 10.915 36.452 1.00 26.40 O HETATM 2183 O HOH 97 -4.115 14.803 25.239 1.00 28.09 O HETATM 2184 O HOH 98 -18.386 -7.468 24.609 1.00 29.88 O HETATM 2185 O HOH 99 -2.314 5.870 35.747 1.00 23.52 O HETATM 2186 O HOH 100 5.058 -8.483 29.995 1.00 26.85 O HETATM 2187 O HOH 101 -22.580 -13.168 26.064 1.00 32.36 O HETATM 2188 O HOH 102 -22.604 4.009 26.917 1.00 26.85 O HETATM 2189 O HOH 103 -12.169 -20.413 33.117 1.00 25.21 O HETATM 2190 O HOH 104 3.157 16.216 25.421 1.00 24.29 O HETATM 2191 O HOH 105 6.520 6.453 38.965 1.00 24.63 O HETATM 2192 O HOH 106 -17.135 -10.583 15.653 1.00 45.13 O HETATM 2193 O HOH 107 10.349 12.739 28.579 1.00 27.29 O HETATM 2194 O HOH 108 -16.301 -6.459 23.669 1.00 40.05 O HETATM 2195 O HOH 109 13.027 -1.841 21.583 1.00 18.50 O HETATM 2196 O HOH 110 -0.836 2.903 35.535 1.00 35.34 O HETATM 2197 O HOH 111 -2.785 10.358 34.869 1.00 25.70 O HETATM 2198 O HOH 112 5.944 -10.652 28.995 1.00 23.42 O HETATM 2199 O HOH 113 -20.442 -11.370 31.518 1.00 23.94 O HETATM 2200 O HOH 114 0.858 -7.613 33.105 1.00 35.97 O HETATM 2201 O HOH 115 0.167 8.785 36.878 1.00 26.87 O HETATM 2202 O HOH 116 -10.256 -15.724 21.720 1.00 28.93 O HETATM 2203 O HOH 117 -10.000 6.391 30.765 1.00 34.44 O HETATM 2204 O HOH 118 -14.981 10.601 25.142 1.00 24.23 O HETATM 2205 O HOH 119 -17.224 -13.778 37.626 1.00 22.45 O HETATM 2206 O HOH 120 -1.431 -8.025 32.680 1.00 39.83 O HETATM 2207 O HOH 121 3.313 -13.686 23.710 1.00 27.07 O HETATM 2208 O HOH 122 -21.445 8.276 19.654 1.00 42.18 O HETATM 2209 O HOH 123 -10.031 -13.144 8.884 1.00 31.88 O HETATM 2210 O HOH 124 1.221 10.287 33.238 1.00 42.49 O HETATM 2211 O HOH 125 -5.541 9.662 34.505 1.00 34.42 O HETATM 2212 O HOH 126 -20.795 -14.976 28.485 1.00 23.05 O HETATM 2213 O HOH 127 7.208 3.909 40.138 1.00 31.05 O HETATM 2214 O HOH 128 -10.080 -19.187 34.157 1.00 25.97 O HETATM 2215 O HOH 129 17.172 1.005 13.767 1.00 30.30 O HETATM 2216 O HOH 130 -12.827 11.404 28.996 1.00 42.78 O HETATM 2217 O HOH 131 -15.248 -15.566 38.647 1.00 34.45 O HETATM 2218 O HOH 132 -0.139 15.521 25.318 1.00 30.73 O HETATM 2219 O HOH 133 -5.836 12.048 33.546 1.00 30.42 O HETATM 2220 O HOH 134 -19.788 6.785 24.138 1.00 34.14 O HETATM 2221 O HOH 135 -18.618 -9.494 9.939 1.00 35.71 O HETATM 2222 O HOH 136 11.311 1.570 30.001 1.00 35.72 O HETATM 2223 O HOH 137 -16.907 -18.055 38.302 1.00 39.69 O HETATM 2224 O HOH 138 -8.041 -14.641 14.230 1.00 36.57 O HETATM 2225 O HOH 139 16.167 -3.254 11.705 1.00 32.12 O HETATM 2226 O HOH 140 -19.637 -8.787 36.625 1.00 29.89 O HETATM 2227 O HOH 141 -17.372 -15.482 14.871 1.00 34.65 O HETATM 2228 O HOH 142 -9.993 -12.463 36.059 1.00 33.04 O HETATM 2229 O HOH 143 12.629 5.948 12.920 1.00 45.84 O HETATM 2230 O HOH 144 -17.778 -17.668 18.302 1.00 32.66 O HETATM 2231 O HOH 145 -11.123 -22.660 27.243 1.00 36.90 O HETATM 2232 O HOH 146 9.565 -1.010 31.971 1.00 29.50 O HETATM 2233 O HOH 147 7.819 15.824 27.173 1.00 32.31 O HETATM 2234 O HOH 148 6.217 -2.947 32.716 1.00 26.46 O HETATM 2235 O HOH 149 -13.117 -12.848 39.601 1.00 25.91 O HETATM 2236 O HOH 150 -18.359 -16.902 35.684 1.00 30.27 O HETATM 2237 O HOH 151 4.002 8.581 36.276 1.00 36.18 O HETATM 2238 O HOH 152 -13.688 14.097 21.356 1.00 36.54 O HETATM 2239 O HOH 153 9.322 11.726 35.576 1.00 40.97 O HETATM 2240 O HOH 154 -19.171 -0.602 26.271 1.00 16.75 O HETATM 2241 O HOH 155 -6.043 9.831 23.881 1.00 91.83 O HETATM 2242 O HOH 156 -1.178 8.471 32.250 1.00 25.49 O HETATM 2243 O HOH 157 -20.065 -2.660 27.530 1.00 18.68 O HETATM 2244 O HOH 158 11.361 1.706 14.956 1.00 32.06 O HETATM 2245 O HOH 159 -2.927 7.817 7.402 1.00 4.59 O HETATM 2246 O HOH 160 -4.610 4.114 -0.595 1.00 4.26 O HETATM 2247 O HOH 161 -15.381 7.173 12.519 1.00 6.30 O HETATM 2248 O HOH 162 1.196 -10.279 9.655 1.00 5.06 O HETATM 2249 O HOH 163 4.476 -9.543 1.301 1.00 5.23 O HETATM 2250 O HOH 164 2.683 -14.111 -14.202 1.00 9.93 O HETATM 2251 O HOH 165 0.586 -18.802 -9.579 1.00 11.46 O HETATM 2252 O HOH 166 -12.986 0.311 14.724 1.00 5.37 O HETATM 2253 O HOH 167 -13.763 -0.991 12.398 1.00 8.71 O HETATM 2254 O HOH 168 -4.234 -16.242 1.753 1.00 7.88 O HETATM 2255 O HOH 169 -15.730 0.094 8.703 1.00 9.90 O HETATM 2256 O HOH 170 4.792 2.593 -3.162 1.00 9.70 O HETATM 2257 O HOH 171 -6.665 -7.761 -8.811 1.00 11.37 O HETATM 2258 O HOH 172 2.338 -1.556 -6.778 1.00 11.66 O HETATM 2259 O HOH 173 5.350 -2.231 8.907 1.00 10.63 O HETATM 2260 O HOH 174 -18.549 2.257 2.996 1.00 10.34 O HETATM 2261 O HOH 175 -4.155 -13.372 -12.006 1.00 8.55 O HETATM 2262 O HOH 176 12.609 0.534 3.311 1.00 14.50 O HETATM 2263 O HOH 177 9.623 3.588 2.546 1.00 10.04 O HETATM 2264 O HOH 178 -1.504 -8.592 -13.968 1.00 11.26 O HETATM 2265 O HOH 179 -3.481 8.788 -5.783 1.00 13.55 O HETATM 2266 O HOH 180 2.481 4.191 -2.918 1.00 5.96 O HETATM 2267 O HOH 181 -1.054 -15.804 5.003 1.00 11.77 O HETATM 2268 O HOH 182 1.748 -18.406 -0.783 1.00 11.08 O HETATM 2269 O HOH 183 -12.267 -5.481 10.062 1.00 12.50 O HETATM 2270 O HOH 184 -3.022 9.076 -2.924 1.00 14.52 O HETATM 2271 O HOH 185 -2.389 1.970 -5.968 1.00 14.37 O HETATM 2272 O HOH 186 13.120 3.862 5.747 1.00 14.51 O HETATM 2273 O HOH 187 -15.360 -4.234 4.054 1.00 19.61 O HETATM 2274 O HOH 188 -3.697 -16.024 4.463 1.00 11.23 O HETATM 2275 O HOH 189 5.736 -10.845 3.459 1.00 12.27 O HETATM 2276 O HOH 190 0.032 7.211 -5.211 1.00 13.34 O HETATM 2277 O HOH 191 2.825 -7.804 -12.388 1.00 14.76 O HETATM 2278 O HOH 192 -5.514 -14.813 6.088 1.00 10.26 O HETATM 2279 O HOH 193 3.277 -5.562 13.123 1.00 17.23 O HETATM 2280 O HOH 194 4.531 -15.650 4.056 1.00 12.58 O HETATM 2281 O HOH 195 -3.348 -18.574 1.111 1.00 12.69 O HETATM 2282 O HOH 196 10.393 0.915 1.767 1.00 13.04 O HETATM 2283 O HOH 197 -9.507 -13.325 5.994 1.00 22.93 O HETATM 2284 O HOH 198 -10.190 8.433 -5.333 1.00 19.02 O HETATM 2285 O HOH 199 7.718 3.854 10.809 1.00 23.37 O HETATM 2286 O HOH 200 -14.296 -7.057 3.207 1.00 13.55 O HETATM 2287 O HOH 201 -5.011 0.899 -9.706 1.00 20.47 O HETATM 2288 O HOH 202 6.446 -3.262 -8.726 1.00 13.17 O HETATM 2289 O HOH 203 4.871 -1.190 -7.658 1.00 11.17 O HETATM 2290 O HOH 204 2.060 -15.945 2.841 1.00 21.83 O HETATM 2291 O HOH 205 -21.239 2.944 3.650 1.00 13.26 O HETATM 2292 O HOH 206 2.606 -9.597 7.481 1.00 16.53 O HETATM 2293 O HOH 207 -5.690 -5.681 -10.787 1.00 11.56 O HETATM 2294 O HOH 208 5.467 -8.659 4.770 1.00 14.75 O HETATM 2295 O HOH 209 6.295 6.257 -0.537 1.00 15.55 O HETATM 2296 O HOH 210 -17.204 -2.210 7.042 1.00 29.24 O HETATM 2297 O HOH 211 -14.773 -11.615 -3.184 1.00 15.74 O HETATM 2298 O HOH 212 -18.368 -4.387 -1.712 1.00 22.31 O HETATM 2299 O HOH 213 6.457 4.554 -2.833 1.00 19.51 O HETATM 2300 O HOH 214 -10.263 -3.748 -6.475 1.00 16.11 O HETATM 2301 O HOH 215 -9.086 -7.054 -7.839 1.00 19.29 O HETATM 2302 O HOH 216 4.618 -5.876 -12.492 1.00 25.25 O HETATM 2303 O HOH 217 -15.178 13.287 6.897 1.00 18.19 O HETATM 2304 O HOH 218 0.611 -4.602 -14.042 1.00 19.63 O HETATM 2305 O HOH 219 -10.478 -13.865 -7.404 1.00 19.39 O HETATM 2306 O HOH 220 -15.139 -1.306 -2.105 1.00 12.61 O HETATM 2307 O HOH 221 -12.039 -11.487 -6.625 1.00 19.55 O HETATM 2308 O HOH 222 -10.502 -16.167 5.742 1.00 5.56 O HETATM 2309 O HOH 223 -16.072 -13.709 -2.025 1.00 14.88 O HETATM 2310 O HOH 224 -8.755 -5.223 -10.256 1.00 14.42 O HETATM 2311 O HOH 225 -9.537 -3.009 -8.743 1.00 16.40 O HETATM 2312 O HOH 226 -2.166 11.937 1.996 1.00 18.38 O HETATM 2313 O HOH 227 -11.167 -10.563 8.405 1.00 12.86 O HETATM 2314 O HOH 228 -17.647 13.412 3.163 1.00 16.86 O HETATM 2315 O HOH 229 -6.819 -11.551 9.456 1.00 16.74 O HETATM 2316 O HOH 230 -9.221 -15.668 -0.955 1.00 15.16 O HETATM 2317 O HOH 231 -12.783 -4.115 -6.150 1.00 20.31 O HETATM 2318 O HOH 232 -3.283 -13.225 13.398 1.00 29.57 O HETATM 2319 O HOH 233 -16.387 -8.912 -2.326 1.00 25.49 O HETATM 2320 O HOH 234 -21.001 -1.483 3.044 1.00 28.17 O HETATM 2321 O HOH 235 -1.243 10.669 -1.748 1.00 18.76 O HETATM 2322 O HOH 236 -8.136 4.953 -5.644 1.00 14.01 O HETATM 2323 O HOH 237 -13.852 12.810 15.022 1.00 17.24 O HETATM 2324 O HOH 238 -1.720 6.174 -9.067 1.00 18.14 O HETATM 2325 O HOH 239 -13.718 -9.697 8.443 1.00 20.47 O HETATM 2326 O HOH 240 -4.534 -9.758 -11.890 1.00 21.64 O HETATM 2327 O HOH 241 -9.202 11.639 15.620 1.00 22.94 O HETATM 2328 O HOH 242 5.775 1.713 -5.545 1.00 23.94 O HETATM 2329 O HOH 243 2.777 -13.594 16.765 1.00 29.51 O HETATM 2330 O HOH 244 9.130 -9.218 0.164 1.00 25.50 O HETATM 2331 O HOH 245 4.368 -6.970 16.076 1.00 27.00 O HETATM 2332 O HOH 246 3.578 -10.577 14.513 1.00 22.03 O HETATM 2333 O HOH 247 4.479 -9.576 16.556 1.00 22.37 O HETATM 2334 O HOH 248 -11.023 -11.142 5.788 1.00 17.22 O HETATM 2335 O HOH 249 -0.190 -19.789 -1.229 1.00 16.26 O HETATM 2336 O HOH 250 -20.696 -2.176 6.236 1.00 22.70 O HETATM 2337 O HOH 251 8.090 -2.565 8.095 1.00 16.81 O HETATM 2338 O HOH 252 5.726 -0.334 10.670 1.00 21.71 O HETATM 2339 O HOH 253 2.784 9.932 -1.191 1.00 19.12 O HETATM 2340 O HOH 254 11.409 -1.411 -2.824 1.00 19.37 O HETATM 2341 O HOH 255 8.612 -2.045 -7.689 1.00 19.45 O HETATM 2342 O HOH 256 3.796 -8.720 11.960 1.00 18.03 O HETATM 2343 O HOH 257 -17.714 -4.844 4.493 1.00 24.03 O HETATM 2344 O HOH 258 6.849 -8.250 1.038 1.00 20.28 O HETATM 2345 O HOH 259 0.910 -7.313 -14.190 1.00 22.43 O HETATM 2346 O HOH 260 7.284 6.486 3.592 1.00 28.72 O HETATM 2347 O HOH 261 -9.974 13.945 13.952 1.00 26.24 O HETATM 2348 O HOH 262 8.514 -10.772 3.076 1.00 20.50 O HETATM 2349 O HOH 263 -13.463 10.044 -3.608 1.00 28.12 O HETATM 2350 O HOH 264 9.898 -8.108 -2.456 1.00 25.53 O HETATM 2351 O HOH 265 -4.383 -13.399 8.337 1.00 18.88 O HETATM 2352 O HOH 266 -2.409 -18.940 -1.484 1.00 15.84 O HETATM 2353 O HOH 267 0.782 11.658 1.353 1.00 30.19 O HETATM 2354 O HOH 268 13.120 -0.750 8.052 1.00 22.80 O HETATM 2355 O HOH 269 -6.732 10.895 15.562 1.00 29.78 O HETATM 2356 O HOH 270 -4.491 3.959 -8.850 1.00 19.80 O HETATM 2357 O HOH 271 -7.148 15.174 -1.297 1.00 23.28 O HETATM 2358 O HOH 272 -7.979 17.979 2.583 1.00 26.50 O HETATM 2359 O HOH 273 -17.146 0.196 10.846 1.00 31.04 O HETATM 2360 O HOH 274 -14.096 -6.309 -7.013 1.00 29.39 O HETATM 2361 O HOH 275 -16.071 -11.173 8.013 1.00 25.61 O HETATM 2362 O HOH 276 -4.719 11.497 -1.243 1.00 23.98 O HETATM 2363 O HOH 277 10.463 -7.289 2.037 1.00 36.42 O HETATM 2364 O HOH 278 2.711 4.672 -7.448 1.00 31.98 O HETATM 2365 O HOH 279 -18.709 -12.910 -2.722 1.00 24.79 O HETATM 2366 O HOH 280 5.247 -11.090 7.489 1.00 21.20 O HETATM 2367 O HOH 281 -13.865 15.175 8.297 1.00 30.18 O HETATM 2368 O HOH 282 -21.857 4.703 1.491 1.00 30.26 O HETATM 2369 O HOH 283 -6.176 -19.886 -5.058 1.00 27.96 O HETATM 2370 O HOH 284 -4.006 17.127 7.483 1.00 33.37 O HETATM 2371 O HOH 285 4.153 2.199 -7.975 1.00 27.92 O HETATM 2372 O HOH 286 6.261 -13.454 -8.752 1.00 20.07 O HETATM 2373 O HOH 287 1.093 -17.164 6.183 1.00 27.54 O HETATM 2374 O HOH 288 6.600 -6.843 2.979 1.00 29.39 O HETATM 2375 O HOH 289 13.219 5.679 7.887 1.00 37.39 O HETATM 2376 O HOH 290 -10.129 19.833 5.539 1.00 31.49 O HETATM 2377 O HOH 291 -1.818 -21.960 -5.050 1.00 33.84 O HETATM 2378 O HOH 292 9.114 -6.405 4.423 1.00 36.12 O HETATM 2379 O HOH 293 -13.642 6.836 -7.506 1.00 26.51 O HETATM 2380 O HOH 294 3.808 -17.232 11.029 1.00 33.25 O HETATM 2381 O HOH 295 8.191 2.879 -6.670 1.00 34.55 O HETATM 2382 O HOH 296 11.324 1.094 -1.166 1.00 33.76 O HETATM 2383 O HOH 297 -13.343 -1.733 -7.033 1.00 27.60 O HETATM 2384 O HOH 298 -5.763 -5.778 -13.435 1.00 20.86 O HETATM 2385 O HOH 299 -11.564 -7.565 -8.002 1.00 46.66 O HETATM 2386 O HOH 300 -8.434 9.444 -6.523 1.00 29.37 O HETATM 2387 O HOH 301 -0.407 0.290 -9.907 1.00 35.54 O HETATM 2388 O HOH 302 10.610 4.454 0.455 1.00 30.65 O HETATM 2389 O HOH 303 -11.536 7.532 -7.609 1.00 29.67 O HETATM 2390 O HOH 304 11.308 -11.768 -3.481 1.00 44.17 O HETATM 2391 O HOH 305 8.370 5.501 6.513 1.00 25.62 O HETATM 2392 O HOH 306 -18.505 6.745 -0.531 1.00 30.28 O HETATM 2393 O HOH 307 9.196 5.913 0.424 1.00 28.73 O HETATM 2394 O HOH 308 -3.685 -13.939 15.631 1.00 53.96 O HETATM 2395 O HOH 309 -1.980 -19.188 -12.017 1.00 22.64 O HETATM 2396 O HOH 310 -18.942 2.520 0.417 1.00 27.99 O HETATM 2397 O HOH 311 -5.383 14.648 0.235 1.00 32.84 O HETATM 2398 O HOH 312 1.443 -17.069 9.616 1.00 21.25 O HETATM 2399 O HOH 313 4.531 -12.979 -15.891 1.00 41.13 O HETATM 2400 O HOH 314 -8.613 -17.618 5.822 1.00 38.76 O HETATM 2401 O HOH 315 -16.894 -4.692 8.046 1.00 32.32 O HETATM 2402 O HOH 316 -16.911 -7.472 6.831 1.00 53.55 O HETATM 2403 O HOH 317 -16.213 11.547 15.292 1.00 17.38 O HETATM 2404 O HOH 318 -14.609 13.008 -0.704 1.00 27.56 O HETATM 2405 O HOH 319 -0.372 14.119 7.913 1.00 25.21 O HETATM 2406 O HOH 320 8.582 0.720 -8.161 1.00 22.89 O HETATM 2407 O HOH 321 -6.642 -16.736 7.075 1.00 29.43 O HETATM 2408 O HOH 322 4.755 -10.508 -14.233 1.00 24.88 O HETATM 2409 O HOH 323 -11.020 -10.199 -8.170 1.00 38.04 O HETATM 2410 O HOH 324 -8.049 -20.208 -7.155 1.00 28.97 O HETATM 2411 O HOH 325 -15.063 -3.730 9.373 1.00 28.84 O HETATM 2412 O HOH 326 -16.680 -6.643 0.150 1.00 38.18 O HETATM 2413 O HOH 327 -15.225 12.071 -2.872 1.00 32.81 O HETATM 2414 O HOH 328 -19.038 0.801 -1.465 1.00 37.41 O HETATM 2415 O HOH 329 11.054 -9.263 -5.038 1.00 29.48 O HETATM 2416 O HOH 330 -2.881 -24.026 -4.313 1.00 33.56 O HETATM 2417 O HOH 331 2.075 5.513 -5.408 1.00 35.15 O HETATM 2418 O HOH 332 5.071 -13.499 18.836 1.00 29.74 O HETATM 2419 O HOH 333 -12.939 17.414 11.677 1.00 35.63 O HETATM 2420 O HOH 334 4.378 8.086 -2.392 1.00 34.05 O HETATM 2421 O HOH 335 4.230 -4.837 -15.361 1.00 32.17 O HETATM 2422 O HOH 336 -4.094 -18.731 4.997 1.00 30.76 O HETATM 2423 O HOH 337 11.041 4.918 4.681 1.00 31.31 O HETATM 2424 O HOH 338 -19.034 -2.483 5.145 1.00 27.87 O HETATM 2425 O HOH 339 -18.153 -10.308 -1.066 1.00 26.60 O HETATM 2426 O HOH 340 -2.257 -14.570 17.472 1.00 41.25 O HETATM 2427 O HOH 341 -3.947 -18.672 -13.445 1.00 35.03 O HETATM 2428 O HOH 342 -9.183 -19.323 -8.917 1.00 34.82 O HETATM 2429 O HOH 343 6.132 -17.835 10.129 1.00 35.99 O HETATM 2430 O HOH 344 2.823 -7.570 -16.234 1.00 29.64 O HETATM 2431 O HOH 345 -12.606 2.664 -4.098 1.00 27.15 O HETATM 2432 O HOH 346 -0.334 2.560 -7.421 1.00 37.67 O HETATM 2433 O HOH 347 2.543 0.491 -9.643 1.00 34.65 O HETATM 2434 O HOH 348 -12.583 16.154 3.961 1.00 31.79 O HETATM 2435 O HOH 349 4.813 -6.498 11.588 1.00 41.70 O HETATM 2436 O HOH 350 -12.266 -16.011 -6.703 1.00 28.88 O HETATM 2437 O HOH 351 1.468 9.329 -4.842 1.00 36.71 O HETATM 2438 O HOH 352 -15.145 0.688 -4.688 1.00 39.71 O HETATM 2439 O HOH 353 8.004 6.309 9.267 1.00 12.20 O HETATM 2440 O HOH 354 6.493 14.771 18.795 1.00 7.56 O HETATM 2441 O HOH 355 -3.713 14.661 18.275 1.00 11.53 O HETATM 2442 O HOH 356 -1.532 14.347 11.413 1.00 11.90 O HETATM 2443 O HOH 357 -5.959 12.946 17.718 1.00 25.39 O HETATM 2444 O HOH 358 6.085 13.770 8.157 1.00 17.84 O HETATM 2445 O HOH 359 -1.115 14.007 18.791 1.00 19.03 O HETATM 2446 O HOH 360 -6.166 18.098 12.501 1.00 21.39 O HETATM 2447 O HOH 361 0.638 15.642 11.545 1.00 53.22 O HETATM 2448 O HOH 362 -1.065 16.335 19.157 1.00 22.76 O HETATM 2449 O HOH 363 6.458 8.959 1.505 1.00 22.98 O HETATM 2450 O HOH 364 2.413 15.516 13.106 1.00 35.63 O HETATM 2451 O HOH 365 12.215 11.768 1.735 1.00 30.36 O HETATM 2452 O HOH 366 -6.456 20.089 13.363 1.00 34.96 O HETATM 2453 O HOH 367 -1.328 12.202 6.424 1.00 28.74 O HETATM 2454 O HOH 368 -7.335 14.872 15.160 1.00 29.16 O HETATM 2455 O HOH 369 9.114 10.819 2.357 1.00 28.64 O HETATM 2456 O HOH 370 -5.020 15.797 20.466 1.00 39.71 O HETATM 2457 N ILE A 371 10.274 14.727 4.107 1.00 0.24 N HETATM 2458 CA ILE A 371 10.305 13.284 4.267 1.00 0.06 C HETATM 2459 C ILE A 371 9.096 12.862 5.095 1.00 0.23 C HETATM 2460 O ILE A 371 8.839 13.316 6.224 1.00 -0.39 O HETATM 2461 N ILE A 371 8.314 12.008 4.490 1.00 -0.26 N HETATM 2462 CA ILE A 371 7.143 11.503 5.140 1.00 0.15 C HETATM 2463 C ILE A 371 7.495 10.616 6.332 1.00 0.21 C HETATM 2464 O ILE A 371 8.539 10.009 6.341 1.00 -0.39 O HETATM 2465 N ILE A 371 6.626 10.548 7.335 1.00 -0.26 N HETATM 2466 CA ILE A 371 6.927 9.798 8.537 1.00 0.15 C HETATM 2467 C ILE A 371 5.599 9.275 9.121 1.00 0.21 C HETATM 2468 O ILE A 371 4.643 10.009 9.197 1.00 -0.39 O HETATM 2469 N ILE A 371 5.546 8.019 9.560 1.00 -0.26 N HETATM 2470 CA ILE A 371 4.287 7.455 10.026 1.00 0.13 C HETATM 2471 C ILE A 371 3.834 8.019 11.378 1.00 0.20 C HETATM 2472 O ILE A 371 2.643 8.020 11.689 1.00 -0.39 O HETATM 2473 N ILE A 371 4.769 8.471 12.214 1.00 -0.26 N HETATM 2474 CA ILE A 371 4.339 9.130 13.446 1.00 0.14 C HETATM 2475 C ILE A 371 3.504 10.348 13.097 1.00 0.21 C HETATM 2476 O ILE A 371 2.466 10.573 13.693 1.00 -0.39 O HETATM 2477 N ILE A 371 3.933 11.125 12.093 1.00 -0.26 N HETATM 2478 CA ILE A 371 3.206 12.358 11.765 1.00 0.15 C HETATM 2479 C ILE A 371 1.928 12.096 11.018 1.00 0.21 C HETATM 2480 O ILE A 371 0.989 12.861 11.134 1.00 -0.39 O HETATM 2481 N ILE A 371 1.909 11.063 10.179 1.00 -0.26 N HETATM 2482 CA ILE A 371 0.859 10.992 9.177 1.00 0.13 C HETATM 2483 C ILE A 371 0.021 9.703 9.199 1.00 0.20 C HETATM 2484 O ILE A 371 -0.962 9.616 8.456 1.00 -0.39 O HETATM 2485 N ILE A 371 0.349 8.713 10.016 1.00 -0.26 N HETATM 2486 CA ILE A 371 -0.541 7.545 10.001 1.00 0.15 C HETATM 2487 C ILE A 371 -1.783 7.782 10.889 1.00 0.21 C HETATM 2488 O ILE A 371 -2.675 6.941 10.885 1.00 -0.39 O HETATM 2489 N ILE A 371 -1.800 8.862 11.677 1.00 -0.26 N HETATM 2490 CA ILE A 371 -3.034 9.289 12.335 1.00 0.13 C HETATM 2491 C ILE A 371 -3.149 10.785 12.147 1.00 0.20 C HETATM 2492 O ILE A 371 -2.142 11.446 11.931 1.00 -0.39 O HETATM 2493 N ILE A 371 -4.370 11.315 12.206 1.00 -0.26 N HETATM 2494 CA ILE A 371 -4.580 12.772 12.144 1.00 0.13 C HETATM 2495 C ILE A 371 -4.376 13.335 13.523 1.00 0.20 C HETATM 2496 O ILE A 371 -4.999 12.864 14.492 1.00 -0.39 O HETATM 2497 N ILE A 371 -3.467 14.292 13.632 1.00 -0.26 N HETATM 2498 CA ILE A 371 -3.211 14.846 14.961 1.00 0.13 C HETATM 2499 C ILE A 371 -3.837 16.206 15.005 1.00 0.20 C HETATM 2500 O ILE A 371 -3.895 16.886 13.978 1.00 -0.39 O HETATM 2501 N ILE A 371 -4.272 16.628 16.186 1.00 -0.26 N HETATM 2502 CA ILE A 371 -4.801 17.999 16.297 1.00 0.15 C HETATM 2503 C ILE A 371 -4.184 18.749 17.488 1.00 0.20 C HETATM 2504 O ILE A 371 -3.619 18.134 18.394 1.00 -0.39 O HETATM 2505 N ILE A 371 -4.302 20.073 17.464 1.00 -0.30 N HETATM 2506 H96 ILE A 371 -3.923 20.622 18.209 1.00 0.18 H HETATM 2507 H97 ILE A 371 -4.770 20.520 16.701 1.00 0.18 H HETATM 2508 CB ILE A 371 -6.324 17.979 16.431 1.00 0.08 C HETATM 2509 OG ILE A 371 -6.685 17.582 17.756 1.00 -0.39 O HETATM 2510 H95 ILE A 371 -7.632 17.571 17.835 1.00 0.21 H HETATM 2511 H93 ILE A 371 -6.746 17.265 15.708 1.00 0.06 H HETATM 2512 H94 ILE A 371 -6.722 18.984 16.229 1.00 0.06 H HETATM 2513 H92 ILE A 371 -4.540 18.541 15.376 1.00 0.08 H HETATM 2514 H91 ILE A 371 -4.241 16.027 16.985 1.00 0.19 H HETATM 2515 CB ILE A 371 -1.728 14.943 15.237 1.00 -0.01 C HETATM 2516 CG ILE A 371 -1.033 13.588 15.265 1.00 -0.02 C HETATM 2517 CD ILE A 371 0.427 13.706 15.607 1.00 0.06 C HETATM 2518 NE ILE A 371 1.065 12.385 15.593 1.00 -0.27 N HETATM 2519 CZ ILE A 371 1.095 11.549 16.621 1.00 0.29 C HETATM 2520 NH1 ILE A 371 1.652 10.356 16.470 1.00 -0.28 N HETATM 2521 H87 ILE A 371 1.681 9.697 17.261 1.00 0.26 H HETATM 2522 H88 ILE A 371 2.055 10.087 15.561 1.00 0.26 H HETATM 2523 NH2 ILE A 371 0.517 11.883 17.791 1.00 -0.28 N HETATM 2524 H89 ILE A 371 0.085 12.811 17.905 1.00 0.26 H HETATM 2525 H90 ILE A 371 0.507 11.210 18.571 1.00 0.26 H HETATM 2526 H86 ILE A 371 1.523 12.085 14.720 1.00 0.26 H HETATM 2527 H84 ILE A 371 0.530 14.147 16.609 1.00 0.07 H HETATM 2528 H85 ILE A 371 0.921 14.355 14.868 1.00 0.07 H HETATM 2529 H82 ILE A 371 -1.128 13.120 14.274 1.00 0.03 H HETATM 2530 H83 ILE A 371 -1.523 12.954 16.018 1.00 0.03 H HETATM 2531 H80 ILE A 371 -1.585 15.429 16.213 1.00 0.03 H HETATM 2532 H81 ILE A 371 -1.265 15.557 14.450 1.00 0.03 H HETATM 2533 H79 ILE A 371 -3.673 14.201 15.723 1.00 0.08 H HETATM 2534 H78 ILE A 371 -2.971 14.626 12.830 1.00 0.19 H HETATM 2535 CB ILE A 371 -5.993 13.108 11.607 1.00 -0.01 C HETATM 2536 CG ILE A 371 -6.331 14.608 11.630 1.00 -0.02 C HETATM 2537 CD ILE A 371 -7.806 14.780 11.112 1.00 0.06 C HETATM 2538 NE ILE A 371 -8.379 15.972 11.717 1.00 -0.27 N HETATM 2539 CZ ILE A 371 -9.631 16.364 11.545 1.00 0.29 C HETATM 2540 NH1 ILE A 371 -10.457 15.643 10.791 1.00 -0.28 N HETATM 2541 H74 ILE A 371 -11.431 15.949 10.658 1.00 0.26 H HETATM 2542 H75 ILE A 371 -10.122 14.779 10.341 1.00 0.26 H HETATM 2543 NH2 ILE A 371 -10.046 17.491 12.124 1.00 -0.28 N HETATM 2544 H76 ILE A 371 -9.397 18.041 12.705 1.00 0.26 H HETATM 2545 H77 ILE A 371 -11.015 17.812 11.990 1.00 0.26 H HETATM 2546 H73 ILE A 371 -7.772 16.548 12.318 1.00 0.26 H HETATM 2547 H71 ILE A 371 -8.402 13.899 11.394 1.00 0.07 H HETATM 2548 H72 ILE A 371 -7.803 14.886 10.017 1.00 0.07 H HETATM 2549 H69 ILE A 371 -5.639 15.157 10.975 1.00 0.03 H HETATM 2550 H70 ILE A 371 -6.248 14.994 12.657 1.00 0.03 H HETATM 2551 H67 ILE A 371 -6.733 12.577 12.224 1.00 0.03 H HETATM 2552 H68 ILE A 371 -6.061 12.754 10.568 1.00 0.03 H HETATM 2553 H66 ILE A 371 -3.836 13.213 11.464 1.00 0.08 H HETATM 2554 H65 ILE A 371 -5.162 10.710 12.294 1.00 0.19 H HETATM 2555 CB ILE A 371 -3.092 8.979 13.851 1.00 -0.00 C HETATM 2556 CG1 ILE A 371 -1.993 9.739 14.594 1.00 -0.05 C HETATM 2557 CD1 ILE A 371 -2.261 9.835 16.074 1.00 -0.06 C HETATM 2558 H62 ILE A 371 -1.444 10.389 16.559 1.00 0.02 H HETATM 2559 H63 ILE A 371 -2.323 8.823 16.502 1.00 0.02 H HETATM 2560 H64 ILE A 371 -3.212 10.363 16.241 1.00 0.02 H HETATM 2561 H57 ILE A 371 -1.925 10.756 14.181 1.00 0.03 H HETATM 2562 H58 ILE A 371 -1.037 9.217 14.441 1.00 0.03 H HETATM 2563 CG2 ILE A 371 -2.981 7.461 14.104 1.00 -0.06 C HETATM 2564 H59 ILE A 371 -3.781 6.939 13.559 1.00 0.02 H HETATM 2565 H60 ILE A 371 -3.079 7.261 15.181 1.00 0.02 H HETATM 2566 H61 ILE A 371 -2.003 7.101 13.752 1.00 0.02 H HETATM 2567 H56 ILE A 371 -4.065 9.320 14.235 1.00 0.03 H HETATM 2568 H55 ILE A 371 -3.882 8.787 11.847 1.00 0.08 H HETATM 2569 H54 ILE A 371 -0.959 9.384 11.818 1.00 0.19 H HETATM 2570 CB ILE A 371 0.163 6.247 10.427 1.00 0.08 C HETATM 2571 OG ILE A 371 0.663 6.290 11.757 1.00 -0.39 O HETATM 2572 H53 ILE A 371 1.293 6.997 11.835 1.00 0.21 H HETATM 2573 H51 ILE A 371 1.005 6.066 9.743 1.00 0.06 H HETATM 2574 H52 ILE A 371 -0.556 5.418 10.351 1.00 0.06 H HETATM 2575 H50 ILE A 371 -0.886 7.410 8.965 1.00 0.08 H HETATM 2576 H49 ILE A 371 1.154 8.758 10.607 1.00 0.19 H HETATM 2577 CB ILE A 371 1.473 11.173 7.774 1.00 -0.00 C HETATM 2578 CG ILE A 371 2.294 12.470 7.625 1.00 -0.00 C HETATM 2579 SD ILE A 371 3.137 12.652 6.041 1.00 -0.16 S HETATM 2580 CE ILE A 371 3.950 11.183 5.983 1.00 -0.02 C HETATM 2581 H46 ILE A 371 4.534 11.123 5.052 1.00 0.03 H HETATM 2582 H47 ILE A 371 3.221 10.359 6.012 1.00 0.03 H HETATM 2583 H48 ILE A 371 4.627 11.104 6.846 1.00 0.03 H HETATM 2584 H44 ILE A 371 3.053 12.488 8.421 1.00 0.04 H HETATM 2585 H45 ILE A 371 1.611 13.324 7.750 1.00 0.04 H HETATM 2586 H42 ILE A 371 0.657 11.191 7.036 1.00 0.03 H HETATM 2587 H43 ILE A 371 2.134 10.317 7.570 1.00 0.03 H HETATM 2588 H41 ILE A 371 0.172 11.831 9.366 1.00 0.08 H HETATM 2589 H40 ILE A 371 2.606 10.348 10.237 1.00 0.19 H HETATM 2590 CB ILE A 371 4.066 13.312 10.910 1.00 0.08 C HETATM 2591 CG ILE A 371 5.250 13.846 11.670 1.00 0.18 C HETATM 2592 OD1 ILE A 371 5.159 14.108 12.877 1.00 -0.40 O HETATM 2593 ND2 ILE A 371 6.373 14.037 10.971 1.00 -0.30 N HETATM 2594 H38 ILE A 371 7.191 14.390 11.425 1.00 0.18 H HETATM 2595 H39 ILE A 371 6.395 13.827 9.994 1.00 0.18 H HETATM 2596 H36 ILE A 371 3.442 14.158 10.587 1.00 0.06 H HETATM 2597 H37 ILE A 371 4.429 12.766 10.027 1.00 0.06 H HETATM 2598 H35 ILE A 371 2.958 12.861 12.711 1.00 0.08 H HETATM 2599 H34 ILE A 371 4.745 10.866 11.569 1.00 0.19 H HETATM 2600 CB ILE A 371 5.562 9.540 14.294 1.00 0.02 C HETATM 2601 CG ILE A 371 5.258 10.412 15.507 1.00 -0.05 C HETATM 2602 CD1 ILE A 371 5.195 9.853 16.766 1.00 -0.07 C HETATM 2603 CE1 ILE A 371 4.942 10.652 17.892 1.00 -0.04 C HETATM 2604 CZ ILE A 371 4.713 11.990 17.756 1.00 0.08 C HETATM 2605 CE2 ILE A 371 4.788 12.582 16.518 1.00 -0.04 C HETATM 2606 CD2 ILE A 371 5.047 11.779 15.391 1.00 -0.07 C HETATM 2607 H30 ILE A 371 5.082 12.239 14.410 1.00 0.05 H HETATM 2608 H32 ILE A 371 4.650 13.652 16.411 1.00 0.05 H HETATM 2609 OH ILE A 371 4.494 12.757 18.885 1.00 -0.34 O HETATM 2610 H33 ILE A 371 4.471 12.194 19.650 1.00 0.25 H HETATM 2611 H31 ILE A 371 4.928 10.202 18.878 1.00 0.05 H HETATM 2612 H29 ILE A 371 5.342 8.786 16.887 1.00 0.05 H HETATM 2613 H27 ILE A 371 6.255 10.094 13.644 1.00 0.05 H HETATM 2614 H28 ILE A 371 6.050 8.621 14.651 1.00 0.05 H HETATM 2615 H26 ILE A 371 3.723 8.430 14.030 1.00 0.08 H HETATM 2616 H25 ILE A 371 5.740 8.362 12.004 1.00 0.19 H HETATM 2617 CB ILE A 371 4.406 5.896 10.130 1.00 -0.02 C HETATM 2618 H22 ILE A 371 3.451 5.478 10.482 1.00 0.03 H HETATM 2619 H23 ILE A 371 5.205 5.636 10.840 1.00 0.03 H HETATM 2620 H24 ILE A 371 4.645 5.480 9.140 1.00 0.03 H HETATM 2621 H21 ILE A 371 3.514 7.698 9.282 1.00 0.08 H HETATM 2622 H20 ILE A 371 6.375 7.460 9.570 1.00 0.19 H HETATM 2623 CB ILE A 371 7.678 10.719 9.470 1.00 0.08 C HETATM 2624 CG ILE A 371 7.825 10.177 10.796 1.00 0.18 C HETATM 2625 OD1 ILE A 371 6.942 10.372 11.622 1.00 -0.40 O HETATM 2626 ND2 ILE A 371 8.952 9.488 11.054 1.00 -0.30 N HETATM 2627 H18 ILE A 371 9.100 9.092 11.960 1.00 0.18 H HETATM 2628 H19 ILE A 371 9.642 9.372 10.339 1.00 0.18 H HETATM 2629 H16 ILE A 371 7.131 11.671 9.539 1.00 0.06 H HETATM 2630 H17 ILE A 371 8.679 10.901 9.053 1.00 0.06 H HETATM 2631 H15 ILE A 371 7.569 8.938 8.293 1.00 0.08 H HETATM 2632 H14 ILE A 371 5.749 11.023 7.259 1.00 0.19 H HETATM 2633 CB ILE A 371 6.348 10.751 4.105 1.00 0.08 C HETATM 2634 CG ILE A 371 5.753 11.677 3.073 1.00 0.18 C HETATM 2635 OD1 ILE A 371 4.985 12.592 3.403 1.00 -0.40 O HETATM 2636 ND2 ILE A 371 6.130 11.469 1.819 1.00 -0.30 N HETATM 2637 H12 ILE A 371 5.772 12.048 1.087 1.00 0.18 H HETATM 2638 H13 ILE A 371 6.772 10.733 1.605 1.00 0.18 H HETATM 2639 H10 ILE A 371 5.534 10.208 4.607 1.00 0.06 H HETATM 2640 H11 ILE A 371 7.011 10.033 3.599 1.00 0.06 H HETATM 2641 H9 ILE A 371 6.544 12.349 5.508 1.00 0.08 H HETATM 2642 H8 ILE A 371 8.536 11.704 3.563 1.00 0.19 H HETATM 2643 CB ILE A 371 11.607 12.771 4.931 1.00 -0.00 C HETATM 2644 H5 ILE A 371 11.565 11.675 5.022 1.00 0.03 H HETATM 2645 H6 ILE A 371 11.710 13.218 5.931 1.00 0.03 H HETATM 2646 H7 ILE A 371 12.471 13.055 4.312 1.00 0.03 H HETATM 2647 H4 ILE A 371 10.230 12.826 3.270 1.00 0.11 H HETATM 2648 H1 ILE A 371 11.068 15.022 3.561 1.00 0.20 H HETATM 2649 H2 ILE A 371 10.308 15.166 5.013 1.00 0.20 H HETATM 2650 H3 ILE A 371 9.424 14.995 3.635 1.00 0.20 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 193 192 910 CONECT 910 193 909 CONECT 1070 1071 1078 1079 1080 CONECT 1078 1070 CONECT 1079 1070 CONECT 1080 1070 CONECT 1268 1267 1901 CONECT 1901 1268 1900 CONECT 2457 2458 2648 2649 2650 CONECT 2458 2457 2459 2643 2647 CONECT 2459 2458 2460 2461 CONECT 2460 2459 CONECT 2461 2459 2462 2642 CONECT 2462 2461 2463 2633 2641 CONECT 2463 2462 2464 2465 CONECT 2464 2463 CONECT 2465 2463 2466 2632 CONECT 2466 2465 2467 2623 2631 CONECT 2467 2466 2468 2469 CONECT 2468 2467 CONECT 2469 2467 2470 2622 CONECT 2470 2469 2471 2617 2621 CONECT 2471 2470 2472 2473 CONECT 2472 2471 CONECT 2473 2471 2474 2616 CONECT 2474 2473 2475 2600 2615 CONECT 2475 2474 2476 2477 CONECT 2476 2475 CONECT 2477 2475 2478 2599 CONECT 2478 2477 2479 2590 2598 CONECT 2479 2478 2480 2481 CONECT 2480 2479 CONECT 2481 2479 2482 2589 CONECT 2482 2481 2483 2577 2588 CONECT 2483 2482 2484 2485 CONECT 2484 2483 CONECT 2485 2483 2486 2576 CONECT 2486 2485 2487 2570 2575 CONECT 2487 2486 2488 2489 CONECT 2488 2487 CONECT 2489 2487 2490 2569 CONECT 2490 2489 2491 2555 2568 CONECT 2491 2490 2492 2493 CONECT 2492 2491 CONECT 2493 2491 2494 2554 CONECT 2494 2493 2495 2535 2553 CONECT 2495 2494 2496 2497 CONECT 2496 2495 CONECT 2497 2495 2498 2534 CONECT 2498 2497 2499 2515 2533 CONECT 2499 2498 2500 2501 CONECT 2500 2499 CONECT 2501 2499 2502 2514 CONECT 2502 2501 2503 2508 2513 CONECT 2503 2502 2504 2505 CONECT 2504 2503 CONECT 2505 2503 2506 2507 CONECT 2506 2505 CONECT 2507 2505 CONECT 2508 2502 2509 2511 2512 CONECT 2509 2508 2510 CONECT 2510 2509 CONECT 2511 2508 CONECT 2512 2508 CONECT 2513 2502 CONECT 2514 2501 CONECT 2515 2498 2516 2531 2532 CONECT 2516 2515 2517 2529 2530 CONECT 2517 2516 2518 2527 2528 CONECT 2518 2517 2519 2526 CONECT 2519 2518 2520 2523 CONECT 2520 2519 2521 2522 CONECT 2521 2520 CONECT 2522 2520 CONECT 2523 2519 2524 2525 CONECT 2524 2523 CONECT 2525 2523 CONECT 2526 2518 CONECT 2527 2517 CONECT 2528 2517 CONECT 2529 2516 CONECT 2530 2516 CONECT 2531 2515 CONECT 2532 2515 CONECT 2533 2498 CONECT 2534 2497 CONECT 2535 2494 2536 2551 2552 CONECT 2536 2535 2537 2549 2550 CONECT 2537 2536 2538 2547 2548 CONECT 2538 2537 2539 2546 CONECT 2539 2538 2540 2543 CONECT 2540 2539 2541 2542 CONECT 2541 2540 CONECT 2542 2540 CONECT 2543 2539 2544 2545 CONECT 2544 2543 CONECT 2545 2543 CONECT 2546 2538 CONECT 2547 2537 CONECT 2548 2537 CONECT 2549 2536 CONECT 2550 2536 CONECT 2551 2535 CONECT 2552 2535 CONECT 2553 2494 CONECT 2554 2493 CONECT 2555 2490 2556 2563 2567 CONECT 2556 2555 2557 2561 2562 CONECT 2557 2556 2558 2559 2560 CONECT 2558 2557 CONECT 2559 2557 CONECT 2560 2557 CONECT 2561 2556 CONECT 2562 2556 CONECT 2563 2555 2564 2565 2566 CONECT 2564 2563 CONECT 2565 2563 CONECT 2566 2563 CONECT 2567 2555 CONECT 2568 2490 CONECT 2569 2489 CONECT 2570 2486 2571 2573 2574 CONECT 2571 2570 2572 CONECT 2572 2571 CONECT 2573 2570 CONECT 2574 2570 CONECT 2575 2486 CONECT 2576 2485 CONECT 2577 2482 2578 2586 2587 CONECT 2578 2577 2579 2584 2585 CONECT 2579 2578 2580 CONECT 2580 2579 2581 2582 2583 CONECT 2581 2580 CONECT 2582 2580 CONECT 2583 2580 CONECT 2584 2578 CONECT 2585 2578 CONECT 2586 2577 CONECT 2587 2577 CONECT 2588 2482 CONECT 2589 2481 CONECT 2590 2478 2591 2596 2597 CONECT 2591 2590 2592 2593 CONECT 2592 2591 CONECT 2593 2591 2594 2595 CONECT 2594 2593 CONECT 2595 2593 CONECT 2596 2590 CONECT 2597 2590 CONECT 2598 2478 CONECT 2599 2477 CONECT 2600 2474 2601 2613 2614 CONECT 2601 2600 2602 2606 CONECT 2602 2601 2603 2612 CONECT 2603 2602 2604 2611 CONECT 2604 2603 2605 2609 CONECT 2605 2604 2606 2608 CONECT 2606 2601 2605 2607 CONECT 2607 2606 CONECT 2608 2605 CONECT 2609 2604 2610 CONECT 2610 2609 CONECT 2611 2603 CONECT 2612 2602 CONECT 2613 2600 CONECT 2614 2600 CONECT 2615 2474 CONECT 2616 2473 CONECT 2617 2470 2618 2619 2620 CONECT 2618 2617 CONECT 2619 2617 CONECT 2620 2617 CONECT 2621 2470 CONECT 2622 2469 CONECT 2623 2466 2624 2629 2630 CONECT 2624 2623 2625 2626 CONECT 2625 2624 CONECT 2626 2624 2627 2628 CONECT 2627 2626 CONECT 2628 2626 CONECT 2629 2623 CONECT 2630 2623 CONECT 2631 2466 CONECT 2632 2465 CONECT 2633 2462 2634 2639 2640 CONECT 2634 2633 2635 2636 CONECT 2635 2634 CONECT 2636 2634 2637 2638 CONECT 2637 2636 CONECT 2638 2636 CONECT 2639 2633 CONECT 2640 2633 CONECT 2641 2462 CONECT 2642 2461 CONECT 2643 2458 2644 2645 2646 CONECT 2644 2643 CONECT 2645 2643 CONECT 2646 2643 CONECT 2647 2458 CONECT 2648 2457 CONECT 2649 2457 CONECT 2650 2457 MASTER 0 0 0 0 0 0 0 0 2648 2 206 18 END
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1a37
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15-mer
1eol
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1j7z
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PDBbind
15-mer
1j80
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1j81
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1jyc
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1kc5
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15-mer
1kcs
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15-mer
1klg
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PDBbind
15-mer
1klu
RCSB PDB
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15-mer
1kna
RCSB PDB
PDBbind
15-mer
1kne
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PDBbind
15-mer
1om9
RCSB PDB
PDBbind
15-mer
1t08
RCSB PDB
PDBbind
15-mer
1t79
RCSB PDB
PDBbind
15-mer
1t7f
RCSB PDB
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15-mer
1t7r
RCSB PDB
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15-mer
1tet
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PDBbind
15-mer
1w70
RCSB PDB
PDBbind
15-mer
1xhm
RCSB PDB
PDBbind
15-mer
2aq9
RCSB PDB
PDBbind
15-mer
2auc
RCSB PDB
PDBbind
15-mer
2bba
RCSB PDB
PDBbind
15-mer
2co0
RCSB PDB
PDBbind
15-mer
2d1x
RCSB PDB
PDBbind
15-mer
2f6j
RCSB PDB
PDBbind
15-mer
2fsa
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PDBbind
15-mer
2fuu
RCSB PDB
PDBbind
15-mer
2jk9
RCSB PDB
PDBbind
15-mer
2k00
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PDBbind
15-mer
2ksp
RCSB PDB
PDBbind
15-mer
2kwn
RCSB PDB
PDBbind
15-mer
2l11
RCSB PDB
PDBbind
15-mer
2l12
RCSB PDB
PDBbind
15-mer
2l1b
RCSB PDB
PDBbind
15-mer
2lbm
RCSB PDB
PDBbind
15-mer
2lgf
RCSB PDB
PDBbind
15-mer
2ltx
RCSB PDB
PDBbind
15-mer
2lty
RCSB PDB
PDBbind
15-mer
2ltz
RCSB PDB
PDBbind
15-mer
2m41
RCSB PDB
PDBbind
15-mer
2mwo
RCSB PDB
PDBbind
15-mer
2mwy
RCSB PDB
PDBbind
15-mer
2n9e
RCSB PDB
PDBbind
15-mer
2pmc
RCSB PDB
PDBbind
15-mer
2rnw
RCSB PDB
PDBbind
15-mer
2rny
RCSB PDB
PDBbind
15-mer
2vwf
RCSB PDB
PDBbind
15-mer
2w0p
RCSB PDB
PDBbind
15-mer
2xxn
RCSB PDB
PDBbind
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2z5s
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PDBbind
15-mer
2z5t
RCSB PDB
PDBbind
15-mer
3b95
RCSB PDB
PDBbind
15-mer
3btr
RCSB PDB
PDBbind
15-mer
3bu6
RCSB PDB
PDBbind
15-mer
3cfs
RCSB PDB
PDBbind
15-mer
3dab
RCSB PDB
PDBbind
15-mer
3fdt
RCSB PDB
PDBbind
15-mer
3ghe
RCSB PDB
PDBbind
15-mer
3gv6
RCSB PDB
PDBbind
15-mer
3h1z
RCSB PDB
PDBbind
15-mer
3h91
RCSB PDB
PDBbind
15-mer
3hqh
RCSB PDB
PDBbind
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3jpx
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PDBbind
15-mer
3l3q
RCSB PDB
PDBbind
15-mer
3l6f
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PDBbind
15-mer
3m17
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PDBbind
15-mer
3o6l
RCSB PDB
PDBbind
15-mer
3ql9
RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qo2
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
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3r93
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PDBbind
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3uig
RCSB PDB
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3uih
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PDBbind
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3uij
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PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
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PDBbind
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4b4n
RCSB PDB
PDBbind
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4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
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4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4hfz
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
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PDBbind
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4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
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4nb3
RCSB PDB
PDBbind
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4nmx
RCSB PDB
PDBbind
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4nw2
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PDBbind
15-mer
4o36
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PDBbind
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4o37
RCSB PDB
PDBbind
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4o3u
RCSB PDB
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4o42
RCSB PDB
PDBbind
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4o45
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PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
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PDBbind
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4os5
RCSB PDB
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4os7
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PDBbind
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4psx
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PDBbind
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4r1e
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
4r3s
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
anti-MSP2 Fv fragment (mAb6D8)
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=6nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Sci Rep Vol. 5: pp. 10103-10103
Ligand Properties
Formula
C
5
6
H
9
7
N
2
2
O
1
8
S
Molecular Weight
1398.570
Exact Mass
1397.710
No. of atoms
194
No. of bonds
194
Polar Surface Area
738.11
LOGP Value
-5.81 (
Computed with XLOGP3
)
-6.02 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 60
No. of Nitrogen and Oxygen Atoms: 40
No. of Rings: 1
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CO)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)[C@H](CC)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CC(=O)N)CC(=O)N)C)Cc1ccc(cc1)O)CC(=O)N
InChI String
InChI=1S/C56H94N22O18S/c1-6-25(2)42(54(96)71-31(10-8-17-67-56(64)65)46(88)69-30(9-7-16-66-55(62)63)47(89)76-37(23-79)43(61)85)78-53(95)38(24-80)77-48(90)32(15-18-97-5)70-51(93)36(22-41(60)84)75-50(92)33(19-28-11-13-29(81)14-12-28)73-45(87)27(4)68-49(91)34(20-39(58)82)74-52(94)35(21-40(59)83)72-44(86)26(3)57/h11-14,25-27,30-38,42,79-81H,6-10,15-24,57H2,1-5H3,(H2,58,82)(H2,59,83)(H2,60,84)(H2,61,85)(H,68,91)(H,69,88)(H,70,93)(H,71,96)(H,72,86)(H,73,87)(H,74,94)(H,75,92)(H,76,89)(H,77,90)(H,78,95)(H4,62,63,66)(H4,64,65,67)/p+3/t25-,26-,27-,30-,31-,32-,33-,34-,35-,36-,37-,38-,42-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
Q9GQZ3
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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