Browse entries in the PDBbind-CN Database
HEADER 5NB6_COMPLEX COMPND 5NB6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 44 ILE LEU GLY GLY ARG GLU ALA GLU ALA HIS ALA ARG PRO SEQRES 2 A 44 TYR MET ALA SER VAL GLN LEU ASN GLY ALA HIS LEU CYS SEQRES 3 A 44 GLY GLY VAL LEU VAL ALA GLU GLN TRP VAL LEU SER ALA SEQRES 4 A 44 ALA HIS CYS LEU GLU SEQRES 1 A 107 GLY LYS VAL GLN VAL LEU LEU GLY ALA HIS SER LEU SER SEQRES 2 A 107 GLN PRO GLU PRO SER LYS ARG LEU TYR ASP VAL LEU ARG SEQRES 3 A 107 ALA VAL PRO HIS PRO ASP SER GLN PRO ASP THR ILE ASP SEQRES 4 A 107 HIS ASP LEU LEU LEU LEU GLN LEU SER GLU LYS ALA THR SEQRES 5 A 107 LEU GLY PRO ALA VAL ARG PRO LEU PRO TRP GLN ARG VAL SEQRES 6 A 107 ASP ARG ASP VAL ALA PRO GLY THR LEU CYS ASP VAL ALA SEQRES 7 A 107 GLY TRP GLY ILE VAL ASN HIS ALA GLY ARG ARG PRO ASP SEQRES 8 A 107 SER LEU GLN HIS VAL LEU LEU PRO VAL LEU ASP ARG ALA SEQRES 9 A 107 THR CYS ASN SEQRES 1 A 65 GLU ARG LEU MET CYS ALA GLU SER ASN ARG ARG ASP SER SEQRES 2 A 65 CYS LYS GLY ASP SER GLY GLY PRO LEU VAL CYS GLY GLY SEQRES 3 A 65 VAL LEU GLU GLY VAL VAL THR SER GLY SER ARG VAL CYS SEQRES 4 A 65 GLY ASN ARG LYS LYS PRO GLY ILE TYR THR ARG VAL ALA SEQRES 5 A 65 SER TYR ALA ALA TRP ILE ASP SER VAL LEU ALA SER ALA HET UNN A 402 57 SSBOND 1 CYS A 42 CYS A 58 SSBOND 2 CYS A 168 CYS A 182 SSBOND 3 CYS A 136 CYS A 201 SSBOND 4 CYS A 191 CYS A 220 ATOM 1 N ILE A 16 -8.192 -9.282 -13.256 1.00 2.00 N ATOM 2 CA ILE A 16 -8.537 -8.121 -14.207 1.00 5.23 C ATOM 3 C ILE A 16 -9.931 -7.644 -13.925 1.00 4.68 C ATOM 4 O ILE A 16 -10.897 -8.436 -14.055 1.00 7.60 O ATOM 5 CB ILE A 16 -8.431 -8.499 -15.694 1.00 3.75 C ATOM 6 CG1 ILE A 16 -7.043 -9.131 -16.003 1.00 4.83 C ATOM 7 CG2 ILE A 16 -8.828 -7.247 -16.615 1.00 6.01 C ATOM 8 CD1 ILE A 16 -5.778 -8.124 -16.187 1.00 3.37 C ATOM 9 HN3 ILE A 16 -8.864 -10.062 -13.405 1.00 0.00 H ATOM 10 HN2 ILE A 16 -8.255 -8.952 -12.272 1.00 0.00 H ATOM 11 HN1 ILE A 16 -7.226 -9.613 -13.451 1.00 0.00 H ATOM 12 N LEU A 17 -10.029 -6.372 -13.563 1.00 5.21 N ATOM 13 CA LEU A 17 -11.298 -5.644 -13.334 1.00 5.84 C ATOM 14 C LEU A 17 -11.708 -4.862 -14.648 1.00 5.97 C ATOM 15 O LEU A 17 -10.879 -4.202 -15.279 1.00 5.77 O ATOM 16 CB LEU A 17 -11.120 -4.618 -12.200 1.00 6.70 C ATOM 17 CG LEU A 17 -10.705 -5.149 -10.808 1.00 8.80 C ATOM 18 CD1 LEU A 17 -10.718 -4.023 -9.722 1.00 11.99 C ATOM 19 CD2 LEU A 17 -11.664 -6.294 -10.480 1.00 13.10 C ATOM 20 H LEU A 17 -9.143 -5.843 -13.429 1.00 0.00 H ATOM 21 N GLY A 18 -12.980 -4.962 -15.008 1.00 5.72 N ATOM 22 CA GLY A 18 -13.551 -4.242 -16.116 1.00 8.02 C ATOM 23 C GLY A 18 -13.010 -4.642 -17.464 1.00 9.79 C ATOM 24 O GLY A 18 -13.072 -3.835 -18.412 1.00 8.63 O ATOM 25 H GLY A 18 -13.598 -5.594 -14.461 1.00 0.00 H ATOM 26 N GLY A 19 -12.500 -5.882 -17.540 1.00 10.68 N ATOM 27 CA GLY A 19 -11.923 -6.389 -18.764 1.00 10.21 C ATOM 28 C GLY A 19 -12.890 -7.225 -19.504 1.00 10.46 C ATOM 29 O GLY A 19 -14.106 -7.097 -19.308 1.00 10.02 O ATOM 30 H GLY A 19 -12.521 -6.492 -16.698 1.00 0.00 H ATOM 31 N ARG A 20 -12.361 -8.157 -20.327 1.00 10.66 N ATOM 32 CA ARG A 20 -13.216 -9.079 -21.035 1.00 11.41 C ATOM 33 C ARG A 20 -12.437 -10.386 -21.148 1.00 11.05 C ATOM 34 O ARG A 20 -11.234 -10.417 -20.867 1.00 11.44 O ATOM 35 CB ARG A 20 -13.518 -8.553 -22.445 1.00 12.99 C ATOM 36 CG ARG A 20 -14.249 -7.265 -22.584 1.00 18.40 C ATOM 37 CD ARG A 20 -15.501 -7.463 -23.497 1.00 28.03 C ATOM 38 NE ARG A 20 -16.364 -6.276 -23.684 1.00 32.14 N ATOM 39 CZ ARG A 20 -16.576 -5.671 -24.856 1.00 33.68 C ATOM 40 NH1 ARG A 20 -15.974 -6.113 -25.960 1.00 33.00 N ATOM 41 NH2 ARG A 20 -17.412 -4.634 -24.933 1.00 31.75 N ATOM 42 HE ARG A 20 -16.838 -5.886 -22.845 1.00 0.00 H ATOM 43 HH12 ARG A 20 -16.143 -5.638 -26.870 1.00 0.00 H ATOM 44 HH11 ARG A 20 -15.336 -6.933 -25.912 1.00 0.00 H ATOM 45 HH22 ARG A 20 -17.575 -4.165 -25.847 1.00 0.00 H ATOM 46 HH21 ARG A 20 -17.900 -4.295 -24.080 1.00 0.00 H ATOM 47 H ARG A 20 -11.330 -8.210 -20.451 1.00 0.00 H ATOM 48 N GLU A 21 -13.136 -11.454 -21.500 1.00 9.35 N ATOM 49 CA GLU A 21 -12.491 -12.751 -21.794 1.00 8.98 C ATOM 50 C GLU A 21 -11.602 -12.672 -23.017 1.00 9.15 C ATOM 51 O GLU A 21 -12.030 -12.202 -24.101 1.00 9.67 O ATOM 52 CB GLU A 21 -13.508 -13.858 -22.005 1.00 10.87 C ATOM 53 CG GLU A 21 -12.869 -15.219 -22.097 1.00 9.09 C ATOM 54 CD GLU A 21 -13.886 -16.358 -22.189 1.00 15.82 C ATOM 55 OE1 GLU A 21 -15.040 -16.139 -21.785 1.00 17.28 O ATOM 56 OE2 GLU A 21 -13.507 -17.485 -22.606 1.00 18.84 O ATOM 57 H GLU A 21 -14.171 -11.378 -21.572 1.00 0.00 H ATOM 58 N ALA A 22 -10.379 -13.137 -22.864 1.00 5.65 N ATOM 59 CA ALA A 22 -9.441 -13.031 -23.964 1.00 5.95 C ATOM 60 C ALA A 22 -9.833 -14.107 -24.962 1.00 5.73 C ATOM 61 O ALA A 22 -10.482 -15.096 -24.600 1.00 8.28 O ATOM 62 CB ALA A 22 -8.019 -13.103 -23.521 1.00 4.06 C ATOM 63 H ALA A 22 -10.090 -13.574 -21.966 1.00 0.00 H ATOM 64 N GLU A 23 -9.499 -13.882 -26.217 1.00 6.85 N ATOM 65 CA GLU A 23 -9.559 -14.976 -27.237 1.00 7.58 C ATOM 66 C GLU A 23 -8.599 -16.113 -26.894 1.00 7.24 C ATOM 67 O GLU A 23 -7.414 -15.894 -26.604 1.00 9.65 O ATOM 68 CB GLU A 23 -9.242 -14.500 -28.642 1.00 7.86 C ATOM 69 CG GLU A 23 -9.933 -13.209 -29.068 1.00 9.68 C ATOM 70 CD GLU A 23 -9.354 -11.960 -28.342 1.00 16.11 C ATOM 71 OE1 GLU A 23 -8.233 -12.017 -27.773 1.00 17.50 O ATOM 72 OE2 GLU A 23 -10.056 -10.920 -28.332 1.00 25.44 O ATOM 73 H GLU A 23 -9.189 -12.931 -26.503 1.00 0.00 H ATOM 74 N ALA A 24 -9.073 -17.320 -27.073 1.00 6.02 N ATOM 75 CA ALA A 24 -8.383 -18.510 -26.591 1.00 5.54 C ATOM 76 C ALA A 24 -6.986 -18.646 -27.259 1.00 5.25 C ATOM 77 O ALA A 24 -6.901 -18.761 -28.470 1.00 4.95 O ATOM 78 CB ALA A 24 -9.251 -19.764 -26.911 1.00 3.96 C ATOM 79 H ALA A 24 -9.975 -17.434 -27.578 1.00 0.00 H ATOM 80 N HIS A 25 -5.922 -18.663 -26.465 1.00 5.59 N ATOM 81 CA HIS A 25 -4.512 -18.843 -26.963 1.00 6.49 C ATOM 82 C HIS A 25 -3.989 -17.690 -27.862 1.00 7.24 C ATOM 83 O HIS A 25 -2.977 -17.821 -28.546 1.00 9.92 O ATOM 84 CB HIS A 25 -4.332 -20.234 -27.628 1.00 5.62 C ATOM 85 CG HIS A 25 -5.118 -21.315 -26.940 1.00 8.33 C ATOM 86 ND1 HIS A 25 -4.744 -21.851 -25.730 1.00 5.02 N ATOM 87 CD2 HIS A 25 -6.329 -21.858 -27.222 1.00 7.42 C ATOM 88 CE1 HIS A 25 -5.657 -22.694 -25.310 1.00 9.58 C ATOM 89 NE2 HIS A 25 -6.609 -22.756 -26.214 1.00 9.84 N ATOM 90 H HIS A 25 -6.070 -18.545 -25.442 1.00 0.00 H ATOM 91 N ALA A 26 -4.625 -16.520 -27.790 1.00 8.43 N ATOM 92 CA ALA A 26 -4.272 -15.427 -28.684 1.00 9.95 C ATOM 93 C ALA A 26 -3.102 -14.650 -28.102 1.00 9.82 C ATOM 94 O ALA A 26 -2.509 -13.809 -28.789 1.00 10.17 O ATOM 95 CB ALA A 26 -5.434 -14.517 -28.936 1.00 9.79 C ATOM 96 H ALA A 26 -5.381 -16.387 -27.088 1.00 0.00 H ATOM 97 N ARG A 27 -2.791 -14.953 -26.833 1.00 8.29 N ATOM 98 CA ARG A 27 -1.627 -14.395 -26.144 1.00 7.89 C ATOM 99 C ARG A 27 -0.803 -15.609 -25.678 1.00 7.95 C ATOM 100 O ARG A 27 -0.908 -16.015 -24.504 1.00 7.78 O ATOM 101 CB ARG A 27 -2.066 -13.417 -24.993 1.00 8.82 C ATOM 102 CG ARG A 27 -2.978 -12.247 -25.480 1.00 7.50 C ATOM 103 CD ARG A 27 -3.739 -11.499 -24.356 1.00 6.88 C ATOM 104 NE ARG A 27 -4.404 -10.308 -24.922 1.00 13.77 N ATOM 105 CZ ARG A 27 -5.484 -10.318 -25.722 1.00 15.19 C ATOM 106 NH1 ARG A 27 -6.070 -11.460 -26.068 1.00 11.11 N ATOM 107 NH2 ARG A 27 -6.001 -9.164 -26.179 1.00 17.47 N ATOM 108 HE ARG A 27 -4.001 -9.380 -24.680 1.00 0.00 H ATOM 109 HH12 ARG A 27 -6.905 -11.449 -26.688 1.00 0.00 H ATOM 110 HH11 ARG A 27 -5.693 -12.364 -25.719 1.00 0.00 H ATOM 111 HH22 ARG A 27 -6.837 -9.178 -26.798 1.00 0.00 H ATOM 112 HH21 ARG A 27 -5.565 -8.258 -25.914 1.00 0.00 H ATOM 113 H ARG A 27 -3.405 -15.614 -26.316 1.00 0.00 H ATOM 114 N PRO A 28 0.074 -16.158 -26.576 1.00 7.54 N ATOM 115 CA PRO A 28 0.683 -17.433 -26.337 1.00 6.74 C ATOM 116 C PRO A 28 1.849 -17.424 -25.344 1.00 6.51 C ATOM 117 O PRO A 28 2.360 -18.487 -25.007 1.00 3.89 O ATOM 118 CB PRO A 28 1.082 -17.916 -27.741 1.00 7.14 C ATOM 119 CG PRO A 28 1.396 -16.652 -28.508 1.00 7.40 C ATOM 120 CD PRO A 28 0.475 -15.577 -27.871 1.00 8.21 C ATOM 121 N TYR A 29 2.194 -16.221 -24.878 1.00 5.03 N ATOM 122 CA TYR A 29 3.206 -16.011 -23.887 1.00 6.20 C ATOM 123 C TYR A 29 2.625 -16.058 -22.465 1.00 6.31 C ATOM 124 O TYR A 29 3.377 -16.063 -21.511 1.00 6.96 O ATOM 125 CB TYR A 29 3.829 -14.597 -24.122 1.00 7.52 C ATOM 126 CG TYR A 29 2.817 -13.503 -24.294 1.00 8.78 C ATOM 127 CD1 TYR A 29 2.166 -12.932 -23.194 1.00 12.46 C ATOM 128 CD2 TYR A 29 2.490 -13.013 -25.571 1.00 10.10 C ATOM 129 CE1 TYR A 29 1.159 -11.899 -23.361 1.00 6.66 C ATOM 130 CE2 TYR A 29 1.508 -12.004 -25.737 1.00 11.50 C ATOM 131 CZ TYR A 29 0.880 -11.460 -24.637 1.00 8.07 C ATOM 132 OH TYR A 29 -0.030 -10.475 -24.851 1.00 13.75 O ATOM 133 HH TYR A 29 -0.402 -10.177 -23.983 1.00 0.00 H ATOM 134 H TYR A 29 1.699 -15.388 -25.257 1.00 0.00 H ATOM 135 N MET A 30 1.297 -16.088 -22.331 1.00 5.76 N ATOM 136 CA MET A 30 0.703 -15.964 -20.997 1.00 4.95 C ATOM 137 C MET A 30 0.900 -17.227 -20.223 1.00 5.20 C ATOM 138 O MET A 30 0.559 -18.343 -20.722 1.00 5.27 O ATOM 139 CB MET A 30 -0.786 -15.685 -21.085 1.00 4.44 C ATOM 140 CG MET A 30 -1.393 -15.309 -19.750 1.00 4.38 C ATOM 141 SD MET A 30 -0.835 -13.720 -19.086 1.00 7.43 S ATOM 142 CE MET A 30 -1.253 -14.044 -17.344 1.00 2.08 C ATOM 143 H MET A 30 0.689 -16.199 -23.167 1.00 0.00 H ATOM 144 N ALA A 31 1.397 -17.065 -19.003 1.00 5.13 N ATOM 145 CA ALA A 31 1.627 -18.177 -18.066 1.00 4.27 C ATOM 146 C ALA A 31 0.772 -17.939 -16.796 1.00 5.80 C ATOM 147 O ALA A 31 0.566 -16.775 -16.405 1.00 5.98 O ATOM 148 CB ALA A 31 3.087 -18.277 -17.688 1.00 6.25 C ATOM 149 H ALA A 31 1.637 -16.102 -18.693 1.00 0.00 H ATOM 150 N SER A 32 0.227 -19.028 -16.231 1.00 6.02 N ATOM 151 CA SER A 32 -0.285 -19.051 -14.858 1.00 5.61 C ATOM 152 C SER A 32 0.784 -19.697 -13.914 1.00 5.70 C ATOM 153 O SER A 32 1.184 -20.854 -14.074 1.00 6.80 O ATOM 154 CB SER A 32 -1.583 -19.897 -14.756 1.00 6.50 C ATOM 155 OG SER A 32 -2.071 -19.958 -13.409 1.00 5.84 O ATOM 156 HG SER A 32 -2.269 -19.042 -13.089 1.00 0.00 H ATOM 157 H SER A 32 0.165 -19.899 -16.796 1.00 0.00 H ATOM 158 N VAL A 33 1.206 -18.949 -12.922 1.00 4.20 N ATOM 159 CA VAL A 33 2.176 -19.404 -11.963 1.00 4.58 C ATOM 160 C VAL A 33 1.372 -19.911 -10.792 1.00 5.99 C ATOM 161 O VAL A 33 0.485 -19.241 -10.284 1.00 5.53 O ATOM 162 CB VAL A 33 3.123 -18.251 -11.565 1.00 5.88 C ATOM 163 CG1 VAL A 33 4.003 -18.642 -10.431 1.00 6.54 C ATOM 164 CG2 VAL A 33 3.865 -17.643 -12.819 1.00 3.48 C ATOM 165 H VAL A 33 0.823 -17.987 -12.825 1.00 0.00 H ATOM 166 N GLN A 34 1.578 -21.180 -10.478 1.00 7.62 N ATOM 167 CA GLN A 34 0.637 -21.876 -9.635 1.00 8.37 C ATOM 168 C GLN A 34 1.331 -22.487 -8.436 1.00 9.64 C ATOM 169 O GLN A 34 2.500 -22.880 -8.513 1.00 8.55 O ATOM 170 CB GLN A 34 -0.009 -22.924 -10.471 1.00 12.29 C ATOM 171 CG GLN A 34 -0.768 -22.300 -11.632 1.00 12.17 C ATOM 172 CD GLN A 34 -1.685 -23.309 -12.253 1.00 16.15 C ATOM 173 OE1 GLN A 34 -1.550 -24.522 -11.990 1.00 12.44 O ATOM 174 NE2 GLN A 34 -2.714 -22.811 -12.999 1.00 7.77 N ATOM 175 HE22 GLN A 34 -2.774 -21.790 -13.185 1.00 0.00 H ATOM 176 HE21 GLN A 34 -3.438 -23.453 -13.381 1.00 0.00 H ATOM 177 H GLN A 34 2.418 -21.675 -10.839 1.00 0.00 H ATOM 178 N LEU A 35 0.583 -22.548 -7.343 1.00 12.11 N ATOM 179 CA LEU A 35 1.008 -23.156 -6.099 1.00 13.84 C ATOM 180 C LEU A 35 -0.093 -24.029 -5.591 1.00 15.83 C ATOM 181 O LEU A 35 -1.305 -23.668 -5.606 1.00 14.26 O ATOM 182 CB LEU A 35 1.267 -22.112 -5.039 1.00 13.81 C ATOM 183 CG LEU A 35 2.124 -22.359 -3.783 1.00 11.96 C ATOM 184 CD1 LEU A 35 3.514 -22.822 -4.129 1.00 14.22 C ATOM 185 CD2 LEU A 35 2.130 -21.148 -2.871 1.00 14.33 C ATOM 186 H LEU A 35 -0.370 -22.133 -7.381 1.00 0.00 H ATOM 187 N ASN A 36 0.326 -25.170 -5.133 1.00 17.75 N ATOM 188 CA ASN A 36 -0.615 -26.148 -4.664 1.00 18.43 C ATOM 189 C ASN A 36 -1.746 -26.263 -5.695 1.00 18.19 C ATOM 190 O ASN A 36 -2.858 -26.324 -5.376 1.00 20.17 O ATOM 191 CB ASN A 36 -0.980 -25.877 -3.202 1.00 18.49 C ATOM 192 CG ASN A 36 0.234 -26.138 -2.308 1.00 20.73 C ATOM 193 OD1 ASN A 36 0.983 -27.005 -2.633 1.00 26.48 O ATOM 194 ND2 ASN A 36 0.490 -25.328 -1.335 1.00 17.90 N ATOM 195 HD22 ASN A 36 -0.192 -24.584 -1.084 1.00 0.00 H ATOM 196 HD21 ASN A 36 1.379 -25.419 -0.802 1.00 0.00 H ATOM 197 H ASN A 36 1.345 -25.376 -5.106 1.00 0.00 H ATOM 198 N GLY A 38 -1.298 -26.317 -7.046 1.00 16.16 N ATOM 199 CA GLY A 38 -2.206 -26.577 -8.157 1.00 15.02 C ATOM 200 C GLY A 38 -3.269 -25.541 -8.421 1.00 13.39 C ATOM 201 O GLY A 38 -4.169 -25.757 -9.276 1.00 13.31 O ATOM 202 H GLY A 38 -0.289 -26.166 -7.247 1.00 0.00 H ATOM 203 N ALA A 39 -3.117 -24.391 -7.763 1.00 9.36 N ATOM 204 CA ALA A 39 -4.034 -23.282 -7.930 1.00 9.91 C ATOM 205 C ALA A 39 -3.318 -22.031 -8.461 1.00 5.76 C ATOM 206 O ALA A 39 -2.199 -21.757 -8.081 1.00 4.59 O ATOM 207 CB ALA A 39 -4.717 -22.982 -6.645 1.00 8.59 C ATOM 208 H ALA A 39 -2.315 -24.287 -7.109 1.00 0.00 H ATOM 209 N HIS A 40 -3.971 -21.311 -9.364 1.00 7.98 N ATOM 210 CA HIS A 40 -3.386 -20.060 -9.927 1.00 6.17 C ATOM 211 C HIS A 40 -3.033 -19.145 -8.749 1.00 5.92 C ATOM 212 O HIS A 40 -3.876 -18.819 -7.884 1.00 4.41 O ATOM 213 CB HIS A 40 -4.386 -19.338 -10.866 1.00 8.55 C ATOM 214 CG HIS A 40 -3.943 -17.960 -11.274 1.00 5.31 C ATOM 215 ND1 HIS A 40 -3.271 -17.693 -12.450 1.00 7.58 N ATOM 216 CD2 HIS A 40 -4.077 -16.772 -10.639 1.00 4.99 C ATOM 217 CE1 HIS A 40 -2.967 -16.407 -12.497 1.00 6.55 C ATOM 218 NE2 HIS A 40 -3.494 -15.808 -11.437 1.00 4.95 N ATOM 219 H HIS A 40 -4.909 -21.625 -9.685 1.00 0.00 H ATOM 220 N LEU A 41 -1.773 -18.741 -8.717 1.00 5.15 N ATOM 221 CA LEU A 41 -1.263 -17.690 -7.846 1.00 7.46 C ATOM 222 C LEU A 41 -1.026 -16.348 -8.595 1.00 7.67 C ATOM 223 O LEU A 41 -1.447 -15.220 -8.174 1.00 6.91 O ATOM 224 CB LEU A 41 0.064 -18.198 -7.202 1.00 9.49 C ATOM 225 CG LEU A 41 0.556 -17.383 -5.993 1.00 8.90 C ATOM 226 CD1 LEU A 41 -0.392 -17.400 -4.795 1.00 13.50 C ATOM 227 CD2 LEU A 41 2.016 -17.732 -5.587 1.00 12.18 C ATOM 228 H LEU A 41 -1.100 -19.206 -9.359 1.00 0.00 H ATOM 229 N CYS A 42 -0.250 -16.431 -9.651 1.00 7.64 N ATOM 230 CA CYS A 42 0.152 -15.172 -10.304 1.00 7.34 C ATOM 231 C CYS A 42 0.143 -15.406 -11.776 1.00 6.91 C ATOM 232 O CYS A 42 0.232 -16.555 -12.227 1.00 7.63 O ATOM 233 CB CYS A 42 1.566 -14.838 -9.894 1.00 6.83 C ATOM 234 SG CYS A 42 1.662 -13.990 -8.254 1.00 12.03 S ATOM 235 H CYS A 42 0.070 -17.352 -10.014 1.00 0.00 H ATOM 236 N GLY A 43 0.202 -14.319 -12.502 1.00 7.21 N ATOM 237 CA GLY A 43 0.535 -14.343 -13.927 1.00 5.52 C ATOM 238 C GLY A 43 2.031 -14.464 -14.135 1.00 7.07 C ATOM 239 O GLY A 43 2.812 -14.340 -13.208 1.00 5.41 O ATOM 240 H GLY A 43 0.005 -13.404 -12.049 1.00 0.00 H ATOM 241 N GLY A 44 2.416 -14.775 -15.371 1.00 5.37 N ATOM 242 CA GLY A 44 3.832 -14.821 -15.829 1.00 5.34 C ATOM 243 C GLY A 44 3.847 -14.511 -17.322 1.00 3.76 C ATOM 244 O GLY A 44 2.860 -14.677 -18.006 1.00 5.95 O ATOM 245 H GLY A 44 1.676 -15.002 -16.065 1.00 0.00 H ATOM 246 N VAL A 45 5.010 -14.189 -17.851 1.00 4.44 N ATOM 247 CA VAL A 45 5.209 -14.009 -19.246 1.00 4.23 C ATOM 248 C VAL A 45 6.339 -14.943 -19.697 1.00 5.67 C ATOM 249 O VAL A 45 7.452 -14.845 -19.135 1.00 7.42 O ATOM 250 CB VAL A 45 5.651 -12.525 -19.490 1.00 3.95 C ATOM 251 CG1 VAL A 45 5.848 -12.304 -20.967 1.00 6.26 C ATOM 252 CG2 VAL A 45 4.649 -11.598 -18.981 1.00 9.40 C ATOM 253 H VAL A 45 5.823 -14.060 -17.215 1.00 0.00 H ATOM 254 N LEU A 46 6.078 -15.901 -20.611 1.00 4.32 N ATOM 255 CA LEU A 46 7.163 -16.663 -21.256 1.00 4.54 C ATOM 256 C LEU A 46 8.105 -15.653 -22.010 1.00 4.49 C ATOM 257 O LEU A 46 7.648 -14.986 -22.925 1.00 3.51 O ATOM 258 CB LEU A 46 6.567 -17.699 -22.270 1.00 4.44 C ATOM 259 CG LEU A 46 7.546 -18.738 -22.775 1.00 5.52 C ATOM 260 CD1 LEU A 46 8.077 -19.571 -21.603 1.00 5.86 C ATOM 261 CD2 LEU A 46 6.816 -19.658 -23.785 1.00 5.83 C ATOM 262 H LEU A 46 5.091 -16.106 -20.866 1.00 0.00 H ATOM 263 N VAL A 47 9.370 -15.528 -21.572 1.00 6.68 N ATOM 264 CA VAL A 47 10.380 -14.609 -22.205 1.00 5.64 C ATOM 265 C VAL A 47 11.509 -15.387 -22.915 1.00 7.25 C ATOM 266 O VAL A 47 12.311 -14.826 -23.682 1.00 6.58 O ATOM 267 CB VAL A 47 10.897 -13.500 -21.220 1.00 6.55 C ATOM 268 CG1 VAL A 47 9.773 -12.548 -20.861 1.00 7.62 C ATOM 269 CG2 VAL A 47 11.564 -14.098 -19.992 1.00 5.44 C ATOM 270 H VAL A 47 9.666 -16.096 -20.753 1.00 0.00 H ATOM 271 N ALA A 48 11.527 -16.705 -22.700 1.00 7.25 N ATOM 272 CA ALA A 48 12.410 -17.581 -23.491 1.00 6.25 C ATOM 273 C ALA A 48 11.906 -19.042 -23.427 1.00 6.77 C ATOM 274 O ALA A 48 11.031 -19.379 -22.610 1.00 5.25 O ATOM 275 CB ALA A 48 13.840 -17.541 -22.910 1.00 6.08 C ATOM 276 H ALA A 48 10.913 -17.117 -21.968 1.00 0.00 H ATOM 277 N GLU A 49 12.556 -19.907 -24.239 1.00 6.88 N ATOM 278 CA GLU A 49 12.211 -21.348 -24.323 1.00 9.21 C ATOM 279 C GLU A 49 12.062 -21.942 -22.923 1.00 7.43 C ATOM 280 O GLU A 49 11.133 -22.592 -22.719 1.00 8.49 O ATOM 281 CB GLU A 49 13.191 -22.179 -25.218 1.00 7.77 C ATOM 282 CG GLU A 49 13.302 -21.717 -26.723 1.00 12.43 C ATOM 283 CD GLU A 49 13.223 -22.841 -27.821 1.00 13.85 C ATOM 284 OE1 GLU A 49 13.132 -24.054 -27.480 1.00 17.70 O ATOM 285 OE2 GLU A 49 13.213 -22.476 -29.044 1.00 21.59 O ATOM 286 H GLU A 49 13.332 -19.546 -24.830 1.00 0.00 H ATOM 287 N GLN A 50 12.936 -21.585 -21.955 1.00 8.43 N ATOM 288 CA GLN A 50 12.972 -22.196 -20.642 1.00 8.16 C ATOM 289 C GLN A 50 12.719 -21.250 -19.451 1.00 8.65 C ATOM 290 O GLN A 50 12.946 -21.670 -18.251 1.00 8.76 O ATOM 291 CB GLN A 50 14.335 -22.922 -20.431 1.00 9.70 C ATOM 292 CG GLN A 50 14.206 -24.067 -19.392 1.00 10.42 C ATOM 293 CD GLN A 50 15.401 -24.993 -19.312 1.00 15.85 C ATOM 294 OE1 GLN A 50 16.433 -24.780 -20.001 1.00 19.63 O ATOM 295 NE2 GLN A 50 15.285 -26.044 -18.461 1.00 15.89 N ATOM 296 HE22 GLN A 50 14.411 -26.176 -17.914 1.00 0.00 H ATOM 297 HE21 GLN A 50 16.071 -26.717 -18.356 1.00 0.00 H ATOM 298 H GLN A 50 13.620 -20.830 -22.165 1.00 0.00 H ATOM 299 N TRP A 51 12.288 -19.996 -19.751 1.00 7.76 N ATOM 300 CA TRP A 51 12.143 -18.958 -18.716 1.00 7.24 C ATOM 301 C TRP A 51 10.849 -18.183 -18.729 1.00 5.90 C ATOM 302 O TRP A 51 10.380 -17.723 -19.790 1.00 4.85 O ATOM 303 CB TRP A 51 13.303 -17.955 -18.750 1.00 7.38 C ATOM 304 CG TRP A 51 14.652 -18.543 -18.410 1.00 8.54 C ATOM 305 CD1 TRP A 51 15.571 -19.077 -19.284 1.00 11.66 C ATOM 306 CD2 TRP A 51 15.213 -18.684 -17.101 1.00 9.61 C ATOM 307 NE1 TRP A 51 16.697 -19.502 -18.590 1.00 12.01 N ATOM 308 CE2 TRP A 51 16.497 -19.283 -17.253 1.00 10.51 C ATOM 309 CE3 TRP A 51 14.772 -18.334 -15.801 1.00 4.81 C ATOM 310 CZ2 TRP A 51 17.336 -19.534 -16.158 1.00 10.34 C ATOM 311 CZ3 TRP A 51 15.574 -18.559 -14.746 1.00 10.57 C ATOM 312 CH2 TRP A 51 16.877 -19.174 -14.919 1.00 11.46 C ATOM 313 HE1 TRP A 51 17.550 -19.918 -19.015 1.00 0.00 H ATOM 314 H TRP A 51 12.054 -19.763 -20.737 1.00 0.00 H ATOM 315 N VAL A 52 10.281 -18.026 -17.538 1.00 5.13 N ATOM 316 CA VAL A 52 9.035 -17.259 -17.337 1.00 6.52 C ATOM 317 C VAL A 52 9.360 -16.120 -16.387 1.00 5.27 C ATOM 318 O VAL A 52 9.928 -16.331 -15.310 1.00 7.63 O ATOM 319 CB VAL A 52 7.840 -18.168 -16.797 1.00 5.79 C ATOM 320 CG1 VAL A 52 6.757 -17.347 -16.147 1.00 8.12 C ATOM 321 CG2 VAL A 52 7.203 -19.003 -17.950 1.00 10.34 C ATOM 322 H VAL A 52 10.734 -18.463 -16.710 1.00 0.00 H ATOM 323 N LEU A 53 9.029 -14.910 -16.824 1.00 6.27 N ATOM 324 CA LEU A 53 9.166 -13.722 -16.018 1.00 6.08 C ATOM 325 C LEU A 53 7.867 -13.462 -15.223 1.00 7.41 C ATOM 326 O LEU A 53 6.769 -13.455 -15.806 1.00 5.53 O ATOM 327 CB LEU A 53 9.594 -12.517 -16.847 1.00 5.85 C ATOM 328 CG LEU A 53 9.710 -11.111 -16.226 1.00 6.50 C ATOM 329 CD1 LEU A 53 10.855 -11.126 -15.238 1.00 11.51 C ATOM 330 CD2 LEU A 53 10.009 -10.055 -17.284 1.00 5.99 C ATOM 331 H LEU A 53 8.655 -14.815 -17.790 1.00 0.00 H ATOM 332 N SER A 54 8.002 -13.340 -13.882 1.00 4.57 N ATOM 333 CA SER A 54 6.851 -12.982 -13.059 1.00 4.81 C ATOM 334 C SER A 54 7.323 -11.865 -12.072 1.00 4.77 C ATOM 335 O SER A 54 8.323 -11.184 -12.337 1.00 2.85 O ATOM 336 CB SER A 54 6.265 -14.227 -12.372 1.00 3.79 C ATOM 337 OG SER A 54 5.037 -14.049 -11.709 1.00 6.66 O ATOM 338 HG SER A 54 4.353 -13.747 -12.358 1.00 0.00 H ATOM 339 H SER A 54 8.928 -13.502 -13.437 1.00 0.00 H ATOM 340 N ALA A 55 6.560 -11.662 -11.014 1.00 5.68 N ATOM 341 CA ALA A 55 6.975 -10.762 -9.948 1.00 6.16 C ATOM 342 C ALA A 55 7.494 -11.457 -8.661 1.00 7.10 C ATOM 343 O ALA A 55 7.195 -12.619 -8.391 1.00 7.23 O ATOM 344 CB ALA A 55 5.778 -9.830 -9.631 1.00 7.68 C ATOM 345 H ALA A 55 5.646 -12.154 -10.941 1.00 0.00 H ATOM 346 N ALA A 56 8.163 -10.694 -7.788 1.00 9.02 N ATOM 347 CA ALA A 56 8.944 -11.340 -6.706 1.00 8.36 C ATOM 348 C ALA A 56 8.110 -11.922 -5.601 1.00 9.04 C ATOM 349 O ALA A 56 8.419 -13.040 -5.127 1.00 9.76 O ATOM 350 CB ALA A 56 10.113 -10.420 -6.172 1.00 9.43 C ATOM 351 H ALA A 56 8.135 -9.657 -7.868 1.00 0.00 H ATOM 352 N HIS A 57 7.024 -11.265 -5.199 1.00 10.76 N ATOM 353 CA HIS A 57 6.208 -11.772 -4.104 1.00 13.25 C ATOM 354 C HIS A 57 5.313 -12.986 -4.407 1.00 15.40 C ATOM 355 O HIS A 57 4.616 -13.519 -3.513 1.00 15.15 O ATOM 356 CB HIS A 57 5.487 -10.642 -3.392 1.00 14.41 C ATOM 357 CG HIS A 57 6.406 -9.514 -3.058 1.00 16.97 C ATOM 358 ND1 HIS A 57 7.615 -9.710 -2.408 1.00 17.96 N ATOM 359 CD2 HIS A 57 6.350 -8.193 -3.357 1.00 20.48 C ATOM 360 CE1 HIS A 57 8.226 -8.545 -2.271 1.00 18.52 C ATOM 361 NE2 HIS A 57 7.476 -7.609 -2.824 1.00 20.41 N ATOM 362 H HIS A 57 6.755 -10.379 -5.673 1.00 0.00 H ATOM 363 N CYS A 58 5.379 -13.447 -5.657 1.00 15.83 N ATOM 364 CA CYS A 58 4.712 -14.656 -6.044 1.00 18.65 C ATOM 365 C CYS A 58 5.475 -15.837 -5.424 1.00 20.84 C ATOM 366 O CYS A 58 4.872 -16.680 -4.773 1.00 23.92 O ATOM 367 CB CYS A 58 4.585 -14.725 -7.569 1.00 17.19 C ATOM 368 SG CYS A 58 3.590 -13.323 -8.294 1.00 13.45 S ATOM 369 H CYS A 58 5.926 -12.918 -6.366 1.00 0.00 H ATOM 370 N LEU A 59 6.803 -15.824 -5.496 1.00 23.36 N ATOM 371 CA LEU A 59 7.610 -16.862 -4.871 1.00 24.75 C ATOM 372 C LEU A 59 7.372 -16.990 -3.354 1.00 26.36 C ATOM 373 O LEU A 59 7.252 -18.102 -2.817 1.00 26.04 O ATOM 374 CB LEU A 59 9.109 -16.643 -5.179 1.00 25.74 C ATOM 375 CG LEU A 59 9.880 -17.983 -5.148 1.00 24.85 C ATOM 376 CD1 LEU A 59 9.201 -18.967 -6.070 1.00 26.35 C ATOM 377 CD2 LEU A 59 11.343 -17.811 -5.528 1.00 22.80 C ATOM 378 H LEU A 59 7.276 -15.054 -6.011 1.00 0.00 H ATOM 379 N GLU A 60 7.252 -15.858 -2.670 1.00 27.88 N ATOM 380 CA GLU A 60 7.176 -15.858 -1.209 1.00 29.61 C ATOM 381 C GLU A 60 6.161 -16.811 -0.570 1.00 29.63 C ATOM 382 O GLU A 60 5.555 -16.494 0.465 1.00 30.35 O ATOM 383 CB GLU A 60 6.979 -14.428 -0.708 1.00 29.99 C ATOM 384 CG GLU A 60 8.275 -13.652 -0.694 1.00 33.65 C ATOM 385 CD GLU A 60 8.066 -12.209 -1.046 1.00 37.84 C ATOM 386 OE1 GLU A 60 6.912 -11.736 -0.885 1.00 40.03 O ATOM 387 OE2 GLU A 60 9.036 -11.557 -1.504 1.00 39.00 O ATOM 388 H GLU A 60 7.211 -14.954 -3.183 1.00 0.00 H TER 389 GLU A 60 ATOM 390 N GLY A 62 7.503 -24.501 -0.013 1.00 30.39 N ATOM 391 CA GLY A 62 6.327 -24.495 -0.899 1.00 29.60 C ATOM 392 C GLY A 62 6.787 -24.830 -2.306 1.00 28.88 C ATOM 393 O GLY A 62 7.963 -24.653 -2.605 1.00 30.18 O ATOM 394 HN3 GLY A 62 8.188 -23.791 -0.343 1.00 0.00 H ATOM 395 HN2 GLY A 62 7.943 -25.443 -0.030 1.00 0.00 H ATOM 396 HN1 GLY A 62 7.206 -24.273 0.957 1.00 0.00 H ATOM 397 N LYS A 63 5.875 -25.273 -3.176 1.00 27.45 N ATOM 398 CA LYS A 63 6.281 -25.938 -4.452 1.00 26.36 C ATOM 399 C LYS A 63 5.711 -25.303 -5.760 1.00 24.76 C ATOM 400 O LYS A 63 4.568 -25.578 -6.129 1.00 26.33 O ATOM 401 CB LYS A 63 6.020 -27.458 -4.334 1.00 25.89 C ATOM 402 CG LYS A 63 5.275 -28.192 -5.518 1.00 29.56 C ATOM 403 CD LYS A 63 6.205 -28.612 -6.684 1.00 30.95 C ATOM 404 CE LYS A 63 5.562 -29.719 -7.547 1.00 30.87 C ATOM 405 NZ LYS A 63 6.523 -30.863 -7.824 1.00 33.24 N ATOM 406 HZ1 LYS A 63 7.355 -30.500 -8.331 1.00 0.00 H ATOM 407 HZ2 LYS A 63 6.823 -31.288 -6.923 1.00 0.00 H ATOM 408 HZ3 LYS A 63 6.047 -31.581 -8.406 1.00 0.00 H ATOM 409 H LYS A 63 4.864 -25.153 -2.962 1.00 0.00 H ATOM 410 N VAL A 64 6.537 -24.509 -6.457 1.00 22.70 N ATOM 411 CA VAL A 64 6.123 -23.664 -7.632 1.00 19.90 C ATOM 412 C VAL A 64 5.993 -24.336 -9.021 1.00 14.32 C ATOM 413 O VAL A 64 6.945 -24.868 -9.546 1.00 14.60 O ATOM 414 CB VAL A 64 7.146 -22.534 -7.890 1.00 19.48 C ATOM 415 CG1 VAL A 64 6.456 -21.331 -8.613 1.00 20.74 C ATOM 416 CG2 VAL A 64 7.833 -22.111 -6.614 1.00 19.97 C ATOM 417 H VAL A 64 7.535 -24.475 -6.165 1.00 0.00 H ATOM 418 N GLN A 65 4.865 -24.133 -9.681 1.00 11.56 N ATOM 419 CA GLN A 65 4.580 -24.743 -10.987 1.00 10.50 C ATOM 420 C GLN A 65 4.068 -23.676 -11.988 1.00 8.78 C ATOM 421 O GLN A 65 3.642 -22.576 -11.595 1.00 8.28 O ATOM 422 CB GLN A 65 3.545 -25.852 -10.811 1.00 8.73 C ATOM 423 CG GLN A 65 4.160 -27.111 -10.163 1.00 12.00 C ATOM 424 CD GLN A 65 3.156 -28.264 -10.152 1.00 8.41 C ATOM 425 OE1 GLN A 65 1.977 -28.083 -9.828 1.00 16.96 O ATOM 426 NE2 GLN A 65 3.626 -29.433 -10.459 1.00 10.62 N ATOM 427 HE22 GLN A 65 4.626 -29.538 -10.726 1.00 0.00 H ATOM 428 HE21 GLN A 65 3.003 -30.266 -10.438 1.00 0.00 H ATOM 429 H GLN A 65 4.146 -23.513 -9.256 1.00 0.00 H ATOM 430 N VAL A 66 4.225 -23.957 -13.272 1.00 7.06 N ATOM 431 CA VAL A 66 3.917 -22.953 -14.315 1.00 6.15 C ATOM 432 C VAL A 66 3.121 -23.677 -15.410 1.00 6.10 C ATOM 433 O VAL A 66 3.574 -24.707 -15.911 1.00 4.80 O ATOM 434 CB VAL A 66 5.163 -22.346 -14.946 1.00 6.98 C ATOM 435 CG1 VAL A 66 4.737 -21.439 -16.161 1.00 7.19 C ATOM 436 CG2 VAL A 66 6.056 -21.557 -13.842 1.00 4.88 C ATOM 437 H VAL A 66 4.570 -24.897 -13.552 1.00 0.00 H ATOM 438 N LEU A 67 1.971 -23.095 -15.747 1.00 5.35 N ATOM 439 CA LEU A 67 1.019 -23.624 -16.744 1.00 6.27 C ATOM 440 C LEU A 67 1.106 -22.764 -17.999 1.00 6.35 C ATOM 441 O LEU A 67 0.856 -21.554 -17.956 1.00 7.96 O ATOM 442 CB LEU A 67 -0.412 -23.535 -16.189 1.00 5.97 C ATOM 443 CG LEU A 67 -1.504 -24.009 -17.177 1.00 6.76 C ATOM 444 CD1 LEU A 67 -1.259 -25.471 -17.466 1.00 7.70 C ATOM 445 CD2 LEU A 67 -2.875 -23.823 -16.579 1.00 5.35 C ATOM 446 H LEU A 67 1.726 -22.202 -15.273 1.00 0.00 H ATOM 447 N LEU A 68 1.450 -23.402 -19.108 1.00 3.65 N ATOM 448 CA LEU A 68 1.592 -22.763 -20.376 1.00 4.95 C ATOM 449 C LEU A 68 0.504 -23.288 -21.274 1.00 4.28 C ATOM 450 O LEU A 68 -0.043 -24.395 -21.052 1.00 6.24 O ATOM 451 CB LEU A 68 2.957 -23.090 -20.995 1.00 3.75 C ATOM 452 CG LEU A 68 4.164 -22.620 -20.203 1.00 3.65 C ATOM 453 CD1 LEU A 68 5.423 -22.930 -20.999 1.00 6.79 C ATOM 454 CD2 LEU A 68 4.130 -21.090 -19.900 1.00 2.00 C ATOM 455 H LEU A 68 1.626 -24.425 -19.051 1.00 0.00 H ATOM 456 N GLY A 69 0.205 -22.521 -22.300 1.00 2.89 N ATOM 457 CA GLY A 69 -0.775 -22.945 -23.306 1.00 2.23 C ATOM 458 C GLY A 69 -2.211 -22.988 -22.897 1.00 5.02 C ATOM 459 O GLY A 69 -3.077 -23.555 -23.652 1.00 7.17 O ATOM 460 H GLY A 69 0.672 -21.597 -22.400 1.00 0.00 H ATOM 461 N ALA A 70 -2.537 -22.367 -21.761 1.00 3.81 N ATOM 462 CA ALA A 70 -3.914 -22.385 -21.207 1.00 5.71 C ATOM 463 C ALA A 70 -4.808 -21.158 -21.607 1.00 4.75 C ATOM 464 O ALA A 70 -4.340 -20.024 -21.809 1.00 7.16 O ATOM 465 CB ALA A 70 -3.852 -22.488 -19.652 1.00 4.04 C ATOM 466 H ALA A 70 -1.797 -21.850 -21.244 1.00 0.00 H ATOM 467 N HIS A 71 -6.116 -21.417 -21.688 1.00 6.98 N ATOM 468 CA HIS A 71 -7.112 -20.373 -21.673 1.00 8.18 C ATOM 469 C HIS A 71 -7.969 -20.599 -20.419 1.00 8.96 C ATOM 470 O HIS A 71 -8.027 -19.713 -19.574 1.00 7.84 O ATOM 471 CB HIS A 71 -8.014 -20.458 -22.921 1.00 9.55 C ATOM 472 CG HIS A 71 -9.007 -19.357 -22.983 1.00 6.81 C ATOM 473 ND1 HIS A 71 -8.655 -18.028 -22.828 1.00 4.30 N ATOM 474 CD2 HIS A 71 -10.359 -19.380 -23.130 1.00 10.58 C ATOM 475 CE1 HIS A 71 -9.747 -17.294 -22.827 1.00 9.72 C ATOM 476 NE2 HIS A 71 -10.784 -18.078 -23.058 1.00 8.78 N ATOM 477 H HIS A 71 -6.428 -22.406 -21.765 1.00 0.00 H ATOM 478 N SER A 72 -8.563 -21.819 -20.319 1.00 7.89 N ATOM 479 CA SER A 72 -9.297 -22.259 -19.145 1.00 6.80 C ATOM 480 C SER A 72 -8.302 -22.872 -18.147 1.00 7.19 C ATOM 481 O SER A 72 -7.532 -23.774 -18.467 1.00 7.80 O ATOM 482 CB SER A 72 -10.328 -23.322 -19.593 1.00 7.19 C ATOM 483 OG SER A 72 -10.904 -23.968 -18.500 1.00 7.89 O ATOM 484 HG SER A 72 -11.366 -23.303 -17.931 1.00 0.00 H ATOM 485 H SER A 72 -8.488 -22.471 -21.126 1.00 0.00 H ATOM 486 N LEU A 73 -8.380 -22.461 -16.907 1.00 7.74 N ATOM 487 CA LEU A 73 -7.517 -23.063 -15.904 1.00 8.08 C ATOM 488 C LEU A 73 -7.927 -24.528 -15.628 1.00 9.60 C ATOM 489 O LEU A 73 -7.074 -25.306 -15.354 1.00 10.39 O ATOM 490 CB LEU A 73 -7.568 -22.265 -14.630 1.00 7.06 C ATOM 491 CG LEU A 73 -7.017 -20.841 -14.610 1.00 9.12 C ATOM 492 CD1 LEU A 73 -7.353 -20.320 -13.213 1.00 9.83 C ATOM 493 CD2 LEU A 73 -5.454 -20.703 -14.933 1.00 10.08 C ATOM 494 H LEU A 73 -9.052 -21.712 -16.642 1.00 0.00 H ATOM 495 N SER A 74 -9.211 -24.909 -15.764 1.00 8.59 N ATOM 496 CA SER A 74 -9.660 -26.249 -15.273 1.00 10.31 C ATOM 497 C SER A 74 -9.980 -27.285 -16.385 1.00 9.68 C ATOM 498 O SER A 74 -9.852 -28.487 -16.187 1.00 12.67 O ATOM 499 CB SER A 74 -10.907 -26.045 -14.437 1.00 11.01 C ATOM 500 OG SER A 74 -11.892 -25.362 -15.211 1.00 10.55 O ATOM 501 HG SER A 74 -11.536 -24.483 -15.494 1.00 0.00 H ATOM 502 H SER A 74 -9.895 -24.268 -16.213 1.00 0.00 H ATOM 503 N GLN A 75 -10.361 -26.800 -17.551 1.00 10.58 N ATOM 504 CA GLN A 75 -10.780 -27.650 -18.648 1.00 12.75 C ATOM 505 C GLN A 75 -9.628 -28.234 -19.497 1.00 12.97 C ATOM 506 O GLN A 75 -8.573 -27.593 -19.660 1.00 13.08 O ATOM 507 CB GLN A 75 -11.821 -26.931 -19.490 1.00 11.26 C ATOM 508 CG GLN A 75 -13.031 -26.657 -18.710 1.00 15.46 C ATOM 509 CD GLN A 75 -14.203 -26.345 -19.574 1.00 22.76 C ATOM 510 OE1 GLN A 75 -14.807 -27.253 -20.190 1.00 23.88 O ATOM 511 NE2 GLN A 75 -14.564 -25.060 -19.626 1.00 23.00 N ATOM 512 HE22 GLN A 75 -14.026 -24.347 -19.094 1.00 0.00 H ATOM 513 HE21 GLN A 75 -15.383 -24.773 -20.199 1.00 0.00 H ATOM 514 H GLN A 75 -10.361 -25.769 -17.688 1.00 0.00 H ATOM 515 N PRO A 76 -9.841 -29.434 -20.062 1.00 14.87 N ATOM 516 CA PRO A 76 -8.826 -30.013 -20.993 1.00 15.63 C ATOM 517 C PRO A 76 -8.647 -29.156 -22.217 1.00 15.50 C ATOM 518 O PRO A 76 -9.629 -28.770 -22.833 1.00 15.46 O ATOM 519 CB PRO A 76 -9.468 -31.356 -21.397 1.00 15.53 C ATOM 520 CG PRO A 76 -10.387 -31.655 -20.230 1.00 15.51 C ATOM 521 CD PRO A 76 -10.970 -30.372 -19.863 1.00 13.90 C ATOM 522 N GLU A 77 -7.388 -28.919 -22.575 1.00 16.27 N ATOM 523 CA GLU A 77 -6.948 -28.291 -23.805 1.00 16.45 C ATOM 524 C GLU A 77 -5.632 -29.031 -24.150 1.00 17.64 C ATOM 525 O GLU A 77 -4.707 -29.097 -23.321 1.00 16.52 O ATOM 526 CB GLU A 77 -6.744 -26.758 -23.603 1.00 17.53 C ATOM 527 CG GLU A 77 -7.976 -26.038 -22.945 1.00 13.96 C ATOM 528 CD GLU A 77 -7.745 -24.590 -22.536 1.00 14.80 C ATOM 529 OE1 GLU A 77 -6.588 -24.169 -22.287 1.00 13.50 O ATOM 530 OE2 GLU A 77 -8.736 -23.836 -22.462 1.00 12.22 O ATOM 531 H GLU A 77 -6.647 -29.213 -21.907 1.00 0.00 H ATOM 532 N PRO A 78 -5.606 -29.754 -25.295 1.00 17.46 N ATOM 533 CA PRO A 78 -4.311 -30.210 -25.804 1.00 17.96 C ATOM 534 C PRO A 78 -3.046 -29.348 -25.634 1.00 16.27 C ATOM 535 O PRO A 78 -2.007 -29.950 -25.267 1.00 18.19 O ATOM 536 CB PRO A 78 -4.624 -30.539 -27.279 1.00 18.31 C ATOM 537 CG PRO A 78 -5.960 -31.264 -27.131 1.00 17.22 C ATOM 538 CD PRO A 78 -6.719 -30.380 -26.059 1.00 17.56 C ATOM 539 N SER A 79 -3.086 -28.017 -25.889 1.00 14.37 N ATOM 540 CA SER A 79 -1.863 -27.187 -25.748 1.00 11.66 C ATOM 541 C SER A 79 -1.483 -26.908 -24.290 1.00 10.53 C ATOM 542 O SER A 79 -0.441 -26.358 -24.055 1.00 11.65 O ATOM 543 CB SER A 79 -1.931 -25.814 -26.492 1.00 11.34 C ATOM 544 OG SER A 79 -2.962 -24.986 -25.972 1.00 13.79 O ATOM 545 HG SER A 79 -2.792 -24.813 -25.012 1.00 0.00 H ATOM 546 H SER A 79 -3.979 -27.574 -26.185 1.00 0.00 H ATOM 547 N LYS A 80 -2.381 -27.160 -23.334 1.00 9.34 N ATOM 548 CA LYS A 80 -2.033 -27.034 -21.914 1.00 8.33 C ATOM 549 C LYS A 80 -0.885 -27.969 -21.568 1.00 8.85 C ATOM 550 O LYS A 80 -0.946 -29.214 -21.877 1.00 6.18 O ATOM 551 CB LYS A 80 -3.241 -27.266 -21.014 1.00 6.64 C ATOM 552 CG LYS A 80 -4.116 -25.965 -20.900 1.00 11.70 C ATOM 553 CD LYS A 80 -5.526 -26.225 -20.186 1.00 11.71 C ATOM 554 CE LYS A 80 -5.435 -26.639 -18.732 1.00 14.00 C ATOM 555 NZ LYS A 80 -6.790 -26.595 -17.977 1.00 10.81 N ATOM 556 HZ1 LYS A 80 -7.166 -25.625 -17.998 1.00 0.00 H ATOM 557 HZ2 LYS A 80 -7.464 -27.239 -18.438 1.00 0.00 H ATOM 558 HZ3 LYS A 80 -6.646 -26.891 -16.991 1.00 0.00 H ATOM 559 H LYS A 80 -3.343 -27.451 -23.601 1.00 0.00 H ATOM 560 N ARG A 81 0.162 -27.350 -21.013 1.00 9.30 N ATOM 561 CA ARG A 81 1.276 -28.051 -20.354 1.00 10.90 C ATOM 562 C ARG A 81 1.578 -27.340 -19.044 1.00 8.78 C ATOM 563 O ARG A 81 1.746 -26.099 -18.992 1.00 9.14 O ATOM 564 CB ARG A 81 2.572 -28.284 -21.224 1.00 11.65 C ATOM 565 CG ARG A 81 3.365 -29.686 -20.864 1.00 14.06 C ATOM 566 CD ARG A 81 4.460 -30.104 -21.879 1.00 18.02 C ATOM 567 NE ARG A 81 5.462 -31.007 -21.285 1.00 24.54 N ATOM 568 CZ ARG A 81 6.787 -30.991 -21.506 1.00 28.82 C ATOM 569 NH1 ARG A 81 7.385 -30.110 -22.333 1.00 24.67 N ATOM 570 NH2 ARG A 81 7.541 -31.891 -20.873 1.00 30.98 N ATOM 571 HE ARG A 81 5.107 -31.730 -20.628 1.00 0.00 H ATOM 572 HH12 ARG A 81 8.416 -30.141 -22.469 1.00 0.00 H ATOM 573 HH11 ARG A 81 6.816 -29.399 -22.835 1.00 0.00 H ATOM 574 HH22 ARG A 81 8.570 -31.905 -21.023 1.00 0.00 H ATOM 575 HH21 ARG A 81 7.100 -32.579 -20.230 1.00 0.00 H ATOM 576 H ARG A 81 0.191 -26.311 -21.049 1.00 0.00 H ATOM 577 N LEU A 82 1.646 -28.173 -18.002 1.00 9.55 N ATOM 578 CA LEU A 82 2.210 -27.845 -16.681 1.00 8.90 C ATOM 579 C LEU A 82 3.685 -28.291 -16.519 1.00 9.11 C ATOM 580 O LEU A 82 4.074 -29.405 -16.855 1.00 9.61 O ATOM 581 CB LEU A 82 1.400 -28.512 -15.560 1.00 8.10 C ATOM 582 CG LEU A 82 1.540 -27.927 -14.141 1.00 5.38 C ATOM 583 CD1 LEU A 82 1.064 -26.377 -14.035 1.00 7.40 C ATOM 584 CD2 LEU A 82 0.908 -28.788 -13.002 1.00 3.19 C ATOM 585 H LEU A 82 1.269 -29.133 -18.134 1.00 0.00 H ATOM 586 N TYR A 83 4.453 -27.416 -15.902 1.00 7.72 N ATOM 587 CA TYR A 83 5.881 -27.540 -15.754 1.00 8.97 C ATOM 588 C TYR A 83 6.236 -27.307 -14.326 1.00 7.06 C ATOM 589 O TYR A 83 5.732 -26.390 -13.738 1.00 7.74 O ATOM 590 CB TYR A 83 6.595 -26.449 -16.614 1.00 8.23 C ATOM 591 CG TYR A 83 6.443 -26.707 -18.104 1.00 10.96 C ATOM 592 CD1 TYR A 83 5.379 -26.158 -18.801 1.00 11.14 C ATOM 593 CD2 TYR A 83 7.389 -27.493 -18.810 1.00 11.00 C ATOM 594 CE1 TYR A 83 5.202 -26.368 -20.173 1.00 11.99 C ATOM 595 CE2 TYR A 83 7.218 -27.740 -20.207 1.00 12.69 C ATOM 596 CZ TYR A 83 6.092 -27.181 -20.863 1.00 11.70 C ATOM 597 OH TYR A 83 5.844 -27.370 -22.206 1.00 12.21 O ATOM 598 HH TYR A 83 5.012 -26.896 -22.457 1.00 0.00 H ATOM 599 H TYR A 83 3.996 -26.576 -15.493 1.00 0.00 H ATOM 600 N ASP A 84 7.153 -28.114 -13.790 1.00 9.22 N ATOM 601 CA ASP A 84 7.873 -27.739 -12.570 1.00 9.55 C ATOM 602 C ASP A 84 8.936 -26.688 -12.882 1.00 9.87 C ATOM 603 O ASP A 84 9.182 -26.341 -14.028 1.00 9.92 O ATOM 604 CB ASP A 84 8.515 -28.983 -11.906 1.00 9.97 C ATOM 605 CG ASP A 84 7.497 -29.962 -11.442 1.00 11.70 C ATOM 606 OD1 ASP A 84 6.743 -29.589 -10.531 1.00 10.73 O ATOM 607 OD2 ASP A 84 7.406 -31.071 -12.046 1.00 18.51 O ATOM 608 H ASP A 84 7.361 -29.025 -14.246 1.00 0.00 H ATOM 609 N VAL A 85 9.604 -26.245 -11.825 1.00 11.56 N ATOM 610 CA VAL A 85 10.532 -25.145 -11.859 1.00 9.64 C ATOM 611 C VAL A 85 11.874 -25.678 -11.307 1.00 11.54 C ATOM 612 O VAL A 85 11.945 -26.164 -10.172 1.00 11.89 O ATOM 613 CB VAL A 85 9.902 -23.905 -11.107 1.00 11.25 C ATOM 614 CG1 VAL A 85 10.906 -22.813 -10.785 1.00 6.25 C ATOM 615 CG2 VAL A 85 8.717 -23.273 -11.991 1.00 7.97 C ATOM 616 H VAL A 85 9.447 -26.722 -10.914 1.00 0.00 H ATOM 617 N LEU A 86 12.907 -25.586 -12.121 1.00 11.62 N ATOM 618 CA LEU A 86 14.311 -25.996 -11.786 1.00 13.39 C ATOM 619 C LEU A 86 15.035 -25.017 -10.910 1.00 13.71 C ATOM 620 O LEU A 86 15.885 -25.384 -10.089 1.00 15.20 O ATOM 621 CB LEU A 86 15.122 -26.043 -13.063 1.00 13.39 C ATOM 622 CG LEU A 86 16.568 -26.486 -13.187 1.00 14.32 C ATOM 623 CD1 LEU A 86 16.849 -27.725 -12.353 1.00 18.15 C ATOM 624 CD2 LEU A 86 16.853 -26.757 -14.680 1.00 16.44 C ATOM 625 H LEU A 86 12.735 -25.199 -13.071 1.00 0.00 H ATOM 626 N ARG A 87 14.795 -23.745 -11.191 1.00 12.91 N ATOM 627 CA ARG A 87 15.307 -22.676 -10.392 1.00 12.86 C ATOM 628 C ARG A 87 14.345 -21.484 -10.395 1.00 11.22 C ATOM 629 O ARG A 87 13.811 -21.096 -11.444 1.00 11.06 O ATOM 630 CB ARG A 87 16.675 -22.249 -10.907 1.00 12.16 C ATOM 631 CG ARG A 87 17.394 -21.301 -9.976 1.00 14.86 C ATOM 632 CD ARG A 87 18.859 -20.921 -10.537 1.00 16.91 C ATOM 633 NE ARG A 87 19.078 -21.317 -11.930 1.00 23.40 N ATOM 634 CZ ARG A 87 19.630 -20.538 -12.871 1.00 24.32 C ATOM 635 NH1 ARG A 87 20.000 -19.262 -12.614 1.00 19.32 N ATOM 636 NH2 ARG A 87 19.781 -21.044 -14.090 1.00 19.05 N ATOM 637 HE ARG A 87 18.783 -22.274 -12.210 1.00 0.00 H ATOM 638 HH12 ARG A 87 20.426 -18.683 -13.365 1.00 0.00 H ATOM 639 HH11 ARG A 87 19.859 -18.861 -11.665 1.00 0.00 H ATOM 640 HH22 ARG A 87 20.206 -20.467 -14.844 1.00 0.00 H ATOM 641 HH21 ARG A 87 19.474 -22.017 -14.291 1.00 0.00 H ATOM 642 H ARG A 87 14.214 -23.516 -12.022 1.00 0.00 H ATOM 643 N ALA A 88 14.181 -20.909 -9.222 1.00 11.04 N ATOM 644 CA ALA A 88 13.541 -19.582 -9.087 1.00 10.11 C ATOM 645 C ALA A 88 14.520 -18.454 -8.699 1.00 11.44 C ATOM 646 O ALA A 88 15.309 -18.554 -7.689 1.00 12.43 O ATOM 647 CB ALA A 88 12.382 -19.665 -8.108 1.00 9.49 C ATOM 648 H ALA A 88 14.510 -21.401 -8.367 1.00 0.00 H ATOM 649 N VAL A 89 14.480 -17.373 -9.485 1.00 8.72 N ATOM 650 CA VAL A 89 15.438 -16.329 -9.369 1.00 7.39 C ATOM 651 C VAL A 89 14.755 -14.978 -9.062 1.00 7.65 C ATOM 652 O VAL A 89 14.480 -14.176 -9.983 1.00 7.79 O ATOM 653 CB VAL A 89 16.449 -16.263 -10.591 1.00 7.35 C ATOM 654 CG1 VAL A 89 17.488 -15.181 -10.337 1.00 6.24 C ATOM 655 CG2 VAL A 89 17.115 -17.611 -10.824 1.00 7.94 C ATOM 656 H VAL A 89 13.729 -17.294 -10.200 1.00 0.00 H ATOM 657 N PRO A 90 14.465 -14.726 -7.776 1.00 8.75 N ATOM 658 CA PRO A 90 14.024 -13.388 -7.400 1.00 10.10 C ATOM 659 C PRO A 90 15.095 -12.367 -7.712 1.00 8.62 C ATOM 660 O PRO A 90 16.281 -12.652 -7.582 1.00 9.45 O ATOM 661 CB PRO A 90 13.803 -13.501 -5.865 1.00 8.60 C ATOM 662 CG PRO A 90 14.737 -14.636 -5.467 1.00 11.52 C ATOM 663 CD PRO A 90 14.652 -15.594 -6.582 1.00 8.94 C ATOM 664 N HIS A 91 14.709 -11.190 -8.173 1.00 10.26 N ATOM 665 CA HIS A 91 15.688 -10.126 -8.293 1.00 10.54 C ATOM 666 C HIS A 91 16.407 -10.011 -6.916 1.00 11.34 C ATOM 667 O HIS A 91 15.755 -10.166 -5.877 1.00 12.41 O ATOM 668 CB HIS A 91 15.074 -8.831 -8.742 1.00 10.73 C ATOM 669 CG HIS A 91 16.094 -7.823 -9.181 1.00 9.21 C ATOM 670 ND1 HIS A 91 16.943 -7.209 -8.300 1.00 10.89 N ATOM 671 CD2 HIS A 91 16.463 -7.402 -10.405 1.00 14.20 C ATOM 672 CE1 HIS A 91 17.712 -6.355 -8.943 1.00 14.63 C ATOM 673 NE2 HIS A 91 17.462 -6.475 -10.232 1.00 13.50 N ATOM 674 H HIS A 91 13.718 -11.029 -8.446 1.00 0.00 H ATOM 675 N PRO A 92 17.751 -9.872 -6.909 1.00 12.25 N ATOM 676 CA PRO A 92 18.517 -9.860 -5.609 1.00 11.77 C ATOM 677 C PRO A 92 18.291 -8.674 -4.690 1.00 12.57 C ATOM 678 O PRO A 92 18.567 -8.765 -3.435 1.00 12.32 O ATOM 679 CB PRO A 92 19.976 -9.967 -6.043 1.00 10.70 C ATOM 680 CG PRO A 92 19.977 -9.654 -7.510 1.00 11.94 C ATOM 681 CD PRO A 92 18.656 -9.858 -8.096 1.00 12.54 C ATOM 682 N ASP A 93 17.784 -7.575 -5.268 1.00 11.68 N ATOM 683 CA ASP A 93 17.465 -6.355 -4.471 1.00 11.29 C ATOM 684 C ASP A 93 15.987 -6.299 -4.015 1.00 10.53 C ATOM 685 O ASP A 93 15.550 -5.325 -3.340 1.00 10.25 O ATOM 686 CB ASP A 93 17.899 -5.079 -5.220 1.00 12.08 C ATOM 687 CG ASP A 93 19.395 -5.104 -5.594 1.00 13.19 C ATOM 688 OD1 ASP A 93 20.214 -5.456 -4.708 1.00 19.48 O ATOM 689 OD2 ASP A 93 19.726 -4.885 -6.779 1.00 13.42 O ATOM 690 H ASP A 93 17.610 -7.573 -6.293 1.00 0.00 H ATOM 691 N SER A 94 15.232 -7.357 -4.343 1.00 9.82 N ATOM 692 CA SER A 94 13.832 -7.442 -3.926 1.00 9.33 C ATOM 693 C SER A 94 13.767 -7.677 -2.423 1.00 8.70 C ATOM 694 O SER A 94 14.622 -8.409 -1.847 1.00 11.23 O ATOM 695 CB SER A 94 13.077 -8.537 -4.724 1.00 9.46 C ATOM 696 OG SER A 94 13.583 -9.835 -4.476 1.00 5.23 O ATOM 697 HG SER A 94 14.537 -9.871 -4.736 1.00 0.00 H ATOM 698 H SER A 94 15.648 -8.129 -4.902 1.00 0.00 H ATOM 699 N GLN A 95 12.800 -7.034 -1.777 1.00 10.37 N ATOM 700 CA GLN A 95 12.568 -7.238 -0.361 1.00 11.67 C ATOM 701 C GLN A 95 11.099 -7.450 -0.160 1.00 10.99 C ATOM 702 O GLN A 95 10.281 -6.907 -0.927 1.00 10.45 O ATOM 703 CB GLN A 95 12.998 -6.071 0.497 1.00 12.48 C ATOM 704 CG GLN A 95 14.417 -5.672 0.398 1.00 18.06 C ATOM 705 CD GLN A 95 14.544 -4.271 0.901 1.00 21.18 C ATOM 706 OE1 GLN A 95 13.724 -3.811 1.733 1.00 27.35 O ATOM 707 NE2 GLN A 95 15.521 -3.571 0.411 1.00 24.48 N ATOM 708 HE22 GLN A 95 16.174 -3.999 -0.276 1.00 0.00 H ATOM 709 HE21 GLN A 95 15.651 -2.582 0.706 1.00 0.00 H ATOM 710 H GLN A 95 12.195 -6.369 -2.300 1.00 0.00 H ATOM 711 N PRO A 96 10.740 -8.215 0.892 1.00 10.95 N ATOM 712 CA PRO A 96 9.337 -8.613 1.079 1.00 10.41 C ATOM 713 C PRO A 96 8.381 -7.431 1.368 1.00 10.06 C ATOM 714 O PRO A 96 7.176 -7.556 1.044 1.00 9.85 O ATOM 715 CB PRO A 96 9.399 -9.601 2.247 1.00 9.12 C ATOM 716 CG PRO A 96 10.580 -9.033 3.066 1.00 11.87 C ATOM 717 CD PRO A 96 11.593 -8.657 1.990 1.00 10.12 C ATOM 718 N ASP A 97 8.874 -6.305 1.931 1.00 8.93 N ATOM 719 CA ASP A 97 7.981 -5.104 2.184 1.00 8.85 C ATOM 720 C ASP A 97 7.958 -3.996 1.111 1.00 9.15 C ATOM 721 O ASP A 97 7.311 -2.911 1.301 1.00 6.96 O ATOM 722 CB ASP A 97 8.260 -4.421 3.543 1.00 10.87 C ATOM 723 CG ASP A 97 9.609 -3.662 3.592 1.00 10.82 C ATOM 724 OD1 ASP A 97 10.536 -4.009 2.841 1.00 11.17 O ATOM 725 OD2 ASP A 97 9.735 -2.701 4.411 1.00 11.88 O ATOM 726 H ASP A 97 9.879 -6.261 2.194 1.00 0.00 H ATOM 727 N THR A 98 8.680 -4.192 0.009 1.00 8.42 N ATOM 728 CA THR A 98 8.615 -3.123 -1.036 1.00 8.27 C ATOM 729 C THR A 98 8.102 -3.687 -2.359 1.00 8.63 C ATOM 730 O THR A 98 8.067 -4.916 -2.533 1.00 7.92 O ATOM 731 CB THR A 98 9.974 -2.508 -1.337 1.00 8.53 C ATOM 732 OG1 THR A 98 10.767 -3.429 -2.136 1.00 8.58 O ATOM 733 CG2 THR A 98 10.690 -2.130 -0.004 1.00 6.43 C ATOM 734 HG1 THR A 98 11.649 -3.022 -2.328 1.00 0.00 H ATOM 735 H THR A 98 9.260 -5.046 -0.119 1.00 0.00 H ATOM 736 N ILE A 99 7.704 -2.777 -3.260 1.00 9.23 N ATOM 737 CA ILE A 99 7.383 -3.158 -4.637 1.00 10.89 C ATOM 738 C ILE A 99 8.560 -2.757 -5.550 1.00 10.43 C ATOM 739 O ILE A 99 8.363 -2.601 -6.810 1.00 8.99 O ATOM 740 CB ILE A 99 6.049 -2.492 -5.174 1.00 10.51 C ATOM 741 CG1 ILE A 99 6.051 -0.961 -5.024 1.00 13.46 C ATOM 742 CG2 ILE A 99 4.829 -3.130 -4.484 1.00 15.25 C ATOM 743 CD1 ILE A 99 5.728 -0.195 -6.290 1.00 19.04 C ATOM 744 H ILE A 99 7.622 -1.780 -2.975 1.00 0.00 H ATOM 745 N ASP A 100 9.751 -2.569 -4.954 1.00 8.04 N ATOM 746 CA ASP A 100 10.938 -2.238 -5.758 1.00 8.30 C ATOM 747 C ASP A 100 11.599 -3.515 -6.310 1.00 8.39 C ATOM 748 O ASP A 100 11.665 -4.507 -5.612 1.00 8.12 O ATOM 749 CB ASP A 100 11.932 -1.482 -4.910 1.00 9.17 C ATOM 750 CG ASP A 100 11.362 -0.163 -4.427 1.00 12.41 C ATOM 751 OD1 ASP A 100 10.726 0.541 -5.255 1.00 11.84 O ATOM 752 OD2 ASP A 100 11.550 0.131 -3.227 1.00 15.84 O ATOM 753 H ASP A 100 9.833 -2.658 -3.921 1.00 0.00 H ATOM 754 N HIS A 101 12.018 -3.514 -7.574 1.00 8.20 N ATOM 755 CA HIS A 101 12.805 -4.680 -8.120 1.00 8.05 C ATOM 756 C HIS A 101 11.934 -5.950 -8.095 1.00 7.26 C ATOM 757 O HIS A 101 12.400 -7.122 -7.835 1.00 6.72 O ATOM 758 CB HIS A 101 14.174 -4.893 -7.393 1.00 7.34 C ATOM 759 CG HIS A 101 14.841 -3.612 -6.993 1.00 10.56 C ATOM 760 ND1 HIS A 101 15.265 -2.680 -7.919 1.00 12.79 N ATOM 761 CD2 HIS A 101 15.058 -3.063 -5.769 1.00 10.52 C ATOM 762 CE1 HIS A 101 15.691 -1.594 -7.282 1.00 14.68 C ATOM 763 NE2 HIS A 101 15.575 -1.799 -5.977 1.00 12.05 N ATOM 764 H HIS A 101 11.801 -2.704 -8.189 1.00 0.00 H ATOM 765 N ASP A 102 10.644 -5.737 -8.394 1.00 7.37 N ATOM 766 CA ASP A 102 9.664 -6.793 -8.075 1.00 7.88 C ATOM 767 C ASP A 102 9.488 -7.791 -9.233 1.00 9.11 C ATOM 768 O ASP A 102 8.399 -7.883 -9.798 1.00 9.36 O ATOM 769 CB ASP A 102 8.313 -6.219 -7.624 1.00 8.53 C ATOM 770 CG ASP A 102 7.335 -7.305 -7.080 1.00 3.63 C ATOM 771 OD1 ASP A 102 7.687 -8.500 -6.769 1.00 13.36 O ATOM 772 OD2 ASP A 102 6.212 -6.926 -6.918 1.00 7.92 O ATOM 773 H ASP A 102 10.341 -4.848 -8.841 1.00 0.00 H ATOM 774 N LEU A 103 10.596 -8.441 -9.614 1.00 7.29 N ATOM 775 CA LEU A 103 10.621 -9.398 -10.706 1.00 7.49 C ATOM 776 C LEU A 103 11.222 -10.704 -10.208 1.00 7.07 C ATOM 777 O LEU A 103 12.042 -10.723 -9.257 1.00 6.76 O ATOM 778 CB LEU A 103 11.431 -8.888 -11.909 1.00 7.70 C ATOM 779 CG LEU A 103 11.085 -7.557 -12.576 1.00 10.44 C ATOM 780 CD1 LEU A 103 12.138 -7.274 -13.662 1.00 11.11 C ATOM 781 CD2 LEU A 103 9.698 -7.567 -13.166 1.00 8.22 C ATOM 782 H LEU A 103 11.481 -8.251 -9.103 1.00 0.00 H ATOM 783 N LEU A 104 10.800 -11.773 -10.863 1.00 4.87 N ATOM 784 CA LEU A 104 11.173 -13.158 -10.511 1.00 6.35 C ATOM 785 C LEU A 104 11.335 -13.881 -11.824 1.00 7.13 C ATOM 786 O LEU A 104 10.409 -13.877 -12.646 1.00 8.54 O ATOM 787 CB LEU A 104 10.055 -13.821 -9.670 1.00 7.38 C ATOM 788 CG LEU A 104 9.905 -15.355 -9.550 1.00 2.73 C ATOM 789 CD1 LEU A 104 11.013 -15.810 -8.492 1.00 9.51 C ATOM 790 CD2 LEU A 104 8.473 -15.795 -9.101 1.00 7.64 C ATOM 791 H LEU A 104 10.167 -11.629 -11.675 1.00 0.00 H ATOM 792 N LEU A 105 12.499 -14.469 -12.054 1.00 7.67 N ATOM 793 CA LEU A 105 12.680 -15.352 -13.225 1.00 8.30 C ATOM 794 C LEU A 105 12.607 -16.843 -12.832 1.00 8.23 C ATOM 795 O LEU A 105 13.377 -17.317 -12.014 1.00 11.25 O ATOM 796 CB LEU A 105 13.974 -15.098 -13.972 1.00 6.76 C ATOM 797 CG LEU A 105 13.753 -13.985 -14.997 1.00 8.81 C ATOM 798 CD1 LEU A 105 15.045 -13.390 -15.371 1.00 7.80 C ATOM 799 CD2 LEU A 105 12.873 -14.429 -16.205 1.00 8.60 C ATOM 800 H LEU A 105 13.294 -14.308 -11.404 1.00 0.00 H ATOM 801 N LEU A 106 11.702 -17.557 -13.463 1.00 9.80 N ATOM 802 CA LEU A 106 11.466 -18.977 -13.168 1.00 7.72 C ATOM 803 C LEU A 106 11.969 -19.822 -14.338 1.00 7.94 C ATOM 804 O LEU A 106 11.490 -19.695 -15.443 1.00 9.50 O ATOM 805 CB LEU A 106 10.003 -19.228 -12.960 1.00 7.56 C ATOM 806 CG LEU A 106 9.350 -18.410 -11.806 1.00 5.70 C ATOM 807 CD1 LEU A 106 7.866 -18.426 -12.045 1.00 12.16 C ATOM 808 CD2 LEU A 106 9.746 -19.218 -10.539 1.00 7.90 C ATOM 809 H LEU A 106 11.130 -17.099 -14.201 1.00 0.00 H ATOM 810 N GLN A 107 12.882 -20.734 -14.062 1.00 7.64 N ATOM 811 CA GLN A 107 13.357 -21.620 -15.088 1.00 6.96 C ATOM 812 C GLN A 107 12.652 -22.954 -15.093 1.00 7.36 C ATOM 813 O GLN A 107 12.641 -23.689 -14.131 1.00 7.59 O ATOM 814 CB GLN A 107 14.865 -21.775 -15.006 1.00 6.94 C ATOM 815 CG GLN A 107 15.394 -22.865 -15.867 1.00 9.70 C ATOM 816 CD GLN A 107 16.871 -23.080 -15.595 1.00 12.41 C ATOM 817 OE1 GLN A 107 17.251 -23.376 -14.482 1.00 14.68 O ATOM 818 NE2 GLN A 107 17.683 -22.907 -16.613 1.00 10.65 N ATOM 819 HE22 GLN A 107 17.300 -22.653 -17.546 1.00 0.00 H ATOM 820 HE21 GLN A 107 18.709 -23.024 -16.486 1.00 0.00 H ATOM 821 H GLN A 107 13.260 -20.812 -13.096 1.00 0.00 H ATOM 822 N LEU A 108 12.013 -23.240 -16.213 1.00 8.49 N ATOM 823 CA LEU A 108 11.170 -24.416 -16.335 1.00 9.98 C ATOM 824 C LEU A 108 12.057 -25.701 -16.246 1.00 11.01 C ATOM 825 O LEU A 108 13.243 -25.714 -16.631 1.00 10.37 O ATOM 826 CB LEU A 108 10.416 -24.411 -17.656 1.00 9.63 C ATOM 827 CG LEU A 108 9.569 -23.128 -17.926 1.00 11.54 C ATOM 828 CD1 LEU A 108 8.840 -23.293 -19.245 1.00 8.51 C ATOM 829 CD2 LEU A 108 8.509 -22.790 -16.814 1.00 12.56 C ATOM 830 H LEU A 108 12.117 -22.605 -17.030 1.00 0.00 H ATOM 831 N SER A 109 11.454 -26.756 -15.761 1.00 11.17 N ATOM 832 CA SER A 109 12.157 -28.086 -15.609 1.00 13.10 C ATOM 833 C SER A 109 12.812 -28.520 -16.931 1.00 12.74 C ATOM 834 O SER A 109 13.947 -29.032 -16.965 1.00 13.70 O ATOM 835 CB SER A 109 11.164 -29.132 -15.124 1.00 12.38 C ATOM 836 OG SER A 109 9.986 -29.176 -15.951 1.00 18.18 O ATOM 837 HG SER A 109 9.367 -29.866 -15.604 1.00 0.00 H ATOM 838 H SER A 109 10.459 -26.677 -15.471 1.00 0.00 H ATOM 839 N GLU A 110 12.111 -28.272 -18.034 1.00 13.56 N ATOM 840 CA GLU A 110 12.719 -28.386 -19.371 1.00 15.79 C ATOM 841 C GLU A 110 12.187 -27.296 -20.301 1.00 15.63 C ATOM 842 O GLU A 110 11.273 -26.563 -19.938 1.00 14.29 O ATOM 843 CB GLU A 110 12.337 -29.742 -19.949 1.00 15.70 C ATOM 844 CG GLU A 110 10.864 -29.955 -19.804 1.00 19.80 C ATOM 845 CD GLU A 110 10.473 -31.360 -20.081 1.00 27.47 C ATOM 846 OE1 GLU A 110 10.086 -31.622 -21.252 1.00 29.97 O ATOM 847 OE2 GLU A 110 10.556 -32.189 -19.138 1.00 27.45 O ATOM 848 H GLU A 110 11.113 -27.992 -17.951 1.00 0.00 H ATOM 849 N LYS A 111 12.762 -27.207 -21.496 1.00 14.95 N ATOM 850 CA LYS A 111 12.264 -26.322 -22.515 1.00 15.37 C ATOM 851 C LYS A 111 10.814 -26.571 -22.782 1.00 13.98 C ATOM 852 O LYS A 111 10.398 -27.707 -23.003 1.00 15.65 O ATOM 853 CB LYS A 111 13.047 -26.452 -23.799 1.00 15.04 C ATOM 854 CG LYS A 111 14.493 -26.092 -23.617 1.00 18.66 C ATOM 855 CD LYS A 111 15.277 -26.255 -24.901 1.00 25.06 C ATOM 856 CE LYS A 111 15.514 -24.898 -25.537 1.00 29.79 C ATOM 857 NZ LYS A 111 16.481 -25.046 -26.655 1.00 32.45 N ATOM 858 HZ1 LYS A 111 17.378 -25.422 -26.288 1.00 0.00 H ATOM 859 HZ2 LYS A 111 16.093 -25.701 -27.363 1.00 0.00 H ATOM 860 HZ3 LYS A 111 16.646 -24.118 -27.094 1.00 0.00 H ATOM 861 H LYS A 111 13.596 -27.794 -21.700 1.00 0.00 H ATOM 862 N ALA A 112 10.070 -25.477 -22.739 1.00 14.30 N ATOM 863 CA ALA A 112 8.685 -25.396 -23.193 1.00 14.48 C ATOM 864 C ALA A 112 8.586 -26.016 -24.559 1.00 13.94 C ATOM 865 O ALA A 112 9.425 -25.758 -25.440 1.00 12.66 O ATOM 866 CB ALA A 112 8.213 -23.943 -23.217 1.00 15.24 C ATOM 867 H ALA A 112 10.503 -24.613 -22.354 1.00 0.00 H ATOM 868 N THR A 113 7.608 -26.917 -24.707 1.00 13.85 N ATOM 869 CA THR A 113 7.187 -27.298 -26.025 1.00 12.31 C ATOM 870 C THR A 113 6.512 -26.085 -26.706 1.00 11.81 C ATOM 871 O THR A 113 5.400 -25.615 -26.332 1.00 11.18 O ATOM 872 CB THR A 113 6.242 -28.468 -26.031 1.00 12.98 C ATOM 873 OG1 THR A 113 6.840 -29.611 -25.357 1.00 15.95 O ATOM 874 CG2 THR A 113 5.880 -28.753 -27.506 1.00 12.39 C ATOM 875 HG1 THR A 113 6.205 -30.370 -25.371 1.00 0.00 H ATOM 876 H THR A 113 7.155 -27.339 -23.871 1.00 0.00 H ATOM 877 N LEU A 114 7.170 -25.580 -27.716 1.00 11.30 N ATOM 878 CA LEU A 114 6.677 -24.345 -28.365 1.00 11.85 C ATOM 879 C LEU A 114 5.732 -24.624 -29.523 1.00 11.69 C ATOM 880 O LEU A 114 5.787 -25.697 -30.144 1.00 11.45 O ATOM 881 CB LEU A 114 7.821 -23.482 -28.816 1.00 12.66 C ATOM 882 CG LEU A 114 8.893 -22.961 -27.823 1.00 14.22 C ATOM 883 CD1 LEU A 114 9.518 -21.781 -28.463 1.00 14.17 C ATOM 884 CD2 LEU A 114 8.326 -22.538 -26.475 1.00 17.31 C ATOM 885 H LEU A 114 8.035 -26.043 -28.061 1.00 0.00 H ATOM 886 N GLY A 115 4.890 -23.639 -29.829 1.00 11.41 N ATOM 887 CA GLY A 115 3.861 -23.762 -30.852 1.00 9.51 C ATOM 888 C GLY A 115 2.936 -22.554 -30.817 1.00 10.51 C ATOM 889 O GLY A 115 3.190 -21.541 -30.077 1.00 10.94 O ATOM 890 H GLY A 115 4.971 -22.740 -29.313 1.00 0.00 H ATOM 891 N PRO A 118 1.914 -22.552 -31.736 1.00 8.67 N ATOM 892 CA PRO A 118 1.059 -21.347 -31.871 1.00 7.76 C ATOM 893 C PRO A 118 0.398 -20.855 -30.546 1.00 7.92 C ATOM 894 O PRO A 118 0.164 -19.638 -30.381 1.00 7.57 O ATOM 895 CB PRO A 118 0.028 -21.726 -32.972 1.00 7.71 C ATOM 896 CG PRO A 118 0.668 -23.012 -33.674 1.00 10.45 C ATOM 897 CD PRO A 118 1.480 -23.691 -32.616 1.00 8.80 C ATOM 898 N ALA A 119 0.125 -21.777 -29.635 1.00 6.47 N ATOM 899 CA ALA A 119 -0.384 -21.425 -28.256 1.00 5.76 C ATOM 900 C ALA A 119 0.663 -21.083 -27.175 1.00 6.25 C ATOM 901 O ALA A 119 0.318 -20.784 -26.047 1.00 2.80 O ATOM 902 CB ALA A 119 -1.295 -22.538 -27.724 1.00 6.52 C ATOM 903 H ALA A 119 0.266 -22.779 -29.877 1.00 0.00 H ATOM 904 N VAL A 120 1.947 -21.252 -27.482 1.00 6.64 N ATOM 905 CA VAL A 120 2.956 -21.210 -26.456 1.00 6.19 C ATOM 906 C VAL A 120 4.180 -20.649 -27.144 1.00 8.24 C ATOM 907 O VAL A 120 4.791 -21.309 -27.979 1.00 6.12 O ATOM 908 CB VAL A 120 3.340 -22.618 -25.845 1.00 6.83 C ATOM 909 CG1 VAL A 120 4.489 -22.473 -24.824 1.00 5.49 C ATOM 910 CG2 VAL A 120 2.145 -23.333 -25.239 1.00 6.28 C ATOM 911 H VAL A 120 2.224 -21.416 -28.471 1.00 0.00 H ATOM 912 N ARG A 121 4.498 -19.400 -26.846 1.00 9.48 N ATOM 913 CA ARG A 121 5.538 -18.690 -27.577 1.00 11.64 C ATOM 914 C ARG A 121 6.034 -17.452 -26.828 1.00 10.07 C ATOM 915 O ARG A 121 5.216 -16.677 -26.292 1.00 8.06 O ATOM 916 CB ARG A 121 5.033 -18.307 -28.974 1.00 13.41 C ATOM 917 CG ARG A 121 6.147 -18.329 -30.024 1.00 19.47 C ATOM 918 CD ARG A 121 6.555 -19.779 -30.372 1.00 26.77 C ATOM 919 NE ARG A 121 5.668 -20.378 -31.368 1.00 34.39 N ATOM 920 CZ ARG A 121 5.960 -21.444 -32.117 1.00 35.50 C ATOM 921 NH1 ARG A 121 7.117 -22.077 -31.970 1.00 37.70 N ATOM 922 NH2 ARG A 121 5.076 -21.891 -33.012 1.00 36.46 N ATOM 923 HE ARG A 121 4.735 -19.939 -31.504 1.00 0.00 H ATOM 924 HH12 ARG A 121 7.334 -22.906 -32.559 1.00 0.00 H ATOM 925 HH11 ARG A 121 7.806 -21.744 -31.266 1.00 0.00 H ATOM 926 HH22 ARG A 121 5.302 -22.721 -33.596 1.00 0.00 H ATOM 927 HH21 ARG A 121 4.161 -21.409 -33.125 1.00 0.00 H ATOM 928 H ARG A 121 3.996 -18.916 -26.075 1.00 0.00 H ATOM 929 N PRO A 122 7.378 -17.312 -26.708 1.00 9.86 N ATOM 930 CA PRO A 122 7.946 -16.177 -25.998 1.00 8.53 C ATOM 931 C PRO A 122 7.526 -14.822 -26.603 1.00 9.13 C ATOM 932 O PRO A 122 7.330 -14.710 -27.845 1.00 9.80 O ATOM 933 CB PRO A 122 9.467 -16.360 -26.182 1.00 8.96 C ATOM 934 CG PRO A 122 9.642 -17.848 -26.361 1.00 9.54 C ATOM 935 CD PRO A 122 8.427 -18.274 -27.152 1.00 10.02 C ATOM 936 N LEU A 123 7.319 -13.837 -25.735 1.00 8.66 N ATOM 937 CA LEU A 123 7.035 -12.450 -26.194 1.00 8.38 C ATOM 938 C LEU A 123 8.351 -11.647 -26.121 1.00 6.54 C ATOM 939 O LEU A 123 9.044 -11.728 -25.161 1.00 6.27 O ATOM 940 CB LEU A 123 5.985 -11.790 -25.271 1.00 9.43 C ATOM 941 CG LEU A 123 5.486 -10.323 -25.420 1.00 8.56 C ATOM 942 CD1 LEU A 123 4.853 -10.074 -26.794 1.00 15.63 C ATOM 943 CD2 LEU A 123 4.487 -9.988 -24.346 1.00 8.85 C ATOM 944 H LEU A 123 7.356 -14.039 -24.716 1.00 0.00 H ATOM 945 N PRO A 124 8.683 -10.869 -27.142 1.00 8.31 N ATOM 946 CA PRO A 124 9.855 -9.986 -26.990 1.00 7.61 C ATOM 947 C PRO A 124 9.652 -8.940 -25.899 1.00 7.41 C ATOM 948 O PRO A 124 8.517 -8.609 -25.553 1.00 5.51 O ATOM 949 CB PRO A 124 10.010 -9.318 -28.337 1.00 7.68 C ATOM 950 CG PRO A 124 8.951 -9.776 -29.181 1.00 9.64 C ATOM 951 CD PRO A 124 8.028 -10.714 -28.431 1.00 8.47 C ATOM 952 N TRP A 124A 10.761 -8.484 -25.319 1.00 7.85 N ATOM 953 CA TRP A 124A 10.705 -7.641 -24.123 1.00 7.80 C ATOM 954 C TRP A 124A 11.556 -6.368 -24.309 1.00 8.09 C ATOM 955 O TRP A 124A 12.640 -6.382 -24.935 1.00 10.19 O ATOM 956 CB TRP A 124A 10.983 -8.458 -22.859 1.00 8.56 C ATOM 957 CG TRP A 124A 12.338 -9.054 -22.772 1.00 9.81 C ATOM 958 CD1 TRP A 124A 12.695 -10.321 -23.094 1.00 9.65 C ATOM 959 CD2 TRP A 124A 13.526 -8.387 -22.363 1.00 9.41 C ATOM 960 NE1 TRP A 124A 14.037 -10.518 -22.849 1.00 11.15 N ATOM 961 CE2 TRP A 124A 14.573 -9.341 -22.391 1.00 15.15 C ATOM 962 CE3 TRP A 124A 13.794 -7.109 -21.877 1.00 5.27 C ATOM 963 CZ2 TRP A 124A 15.892 -9.021 -22.042 1.00 10.26 C ATOM 964 CZ3 TRP A 124A 15.116 -6.790 -21.524 1.00 8.66 C ATOM 965 CH2 TRP A 124A 16.129 -7.770 -21.579 1.00 11.96 C ATOM 966 HE1 TRP A 124A 14.556 -11.409 -22.988 1.00 0.00 H ATOM 967 H TRP A 124A 11.686 -8.732 -25.724 1.00 0.00 H ATOM 968 N GLN A 125 11.048 -5.250 -23.813 1.00 7.41 N ATOM 969 CA GLN A 125 11.690 -3.953 -24.069 1.00 7.56 C ATOM 970 C GLN A 125 13.105 -3.903 -23.484 1.00 8.48 C ATOM 971 O GLN A 125 13.262 -3.983 -22.241 1.00 5.70 O ATOM 972 CB GLN A 125 10.885 -2.820 -23.438 1.00 6.15 C ATOM 973 CG GLN A 125 11.438 -1.473 -23.916 1.00 8.01 C ATOM 974 CD GLN A 125 11.454 -1.435 -25.473 1.00 5.61 C ATOM 975 OE1 GLN A 125 12.509 -1.549 -26.141 1.00 9.33 O ATOM 976 NE2 GLN A 125 10.295 -1.256 -26.031 1.00 10.80 N ATOM 977 HE22 GLN A 125 9.443 -1.166 -25.442 1.00 0.00 H ATOM 978 HE21 GLN A 125 10.219 -1.203 -27.067 1.00 0.00 H ATOM 979 H GLN A 125 10.184 -5.290 -23.235 1.00 0.00 H ATOM 980 N ARG A 126 14.130 -3.815 -24.351 1.00 9.53 N ATOM 981 CA ARG A 126 15.473 -3.612 -23.834 1.00 9.79 C ATOM 982 C ARG A 126 15.950 -2.163 -23.877 1.00 10.90 C ATOM 983 O ARG A 126 16.955 -1.814 -23.232 1.00 11.75 O ATOM 984 CB ARG A 126 16.498 -4.552 -24.473 1.00 10.38 C ATOM 985 CG ARG A 126 16.640 -4.570 -25.952 1.00 11.27 C ATOM 986 CD ARG A 126 17.950 -5.355 -26.324 1.00 12.79 C ATOM 987 NE ARG A 126 17.900 -6.797 -26.028 1.00 14.38 N ATOM 988 CZ ARG A 126 18.495 -7.428 -24.998 1.00 12.40 C ATOM 989 NH1 ARG A 126 19.290 -6.787 -24.146 1.00 12.08 N ATOM 990 NH2 ARG A 126 18.316 -8.732 -24.842 1.00 8.32 N ATOM 991 HE ARG A 126 17.348 -7.389 -26.682 1.00 0.00 H ATOM 992 HH12 ARG A 126 19.735 -7.304 -23.360 1.00 0.00 H ATOM 993 HH11 ARG A 126 19.467 -5.769 -24.265 1.00 0.00 H ATOM 994 HH22 ARG A 126 18.771 -9.228 -24.050 1.00 0.00 H ATOM 995 HH21 ARG A 126 17.720 -9.259 -25.512 1.00 0.00 H ATOM 996 H ARG A 126 13.964 -3.891 -25.375 1.00 0.00 H ATOM 997 N VAL A 127 15.223 -1.319 -24.604 1.00 9.65 N ATOM 998 CA VAL A 127 15.562 0.083 -24.698 1.00 10.41 C ATOM 999 C VAL A 127 14.902 0.841 -23.540 1.00 10.58 C ATOM 1000 O VAL A 127 13.698 0.821 -23.416 1.00 11.01 O ATOM 1001 CB VAL A 127 15.098 0.673 -26.027 1.00 6.83 C ATOM 1002 CG1 VAL A 127 15.040 2.234 -25.973 1.00 10.99 C ATOM 1003 CG2 VAL A 127 15.969 0.104 -27.200 1.00 7.42 C ATOM 1004 H VAL A 127 14.392 -1.676 -25.117 1.00 0.00 H ATOM 1005 N ASP A 128 15.718 1.552 -22.758 1.00 11.64 N ATOM 1006 CA ASP A 128 15.212 2.243 -21.586 1.00 13.07 C ATOM 1007 C ASP A 128 14.643 3.628 -21.972 1.00 14.47 C ATOM 1008 O ASP A 128 15.304 4.651 -21.853 1.00 15.21 O ATOM 1009 CB ASP A 128 16.282 2.252 -20.505 1.00 12.90 C ATOM 1010 CG ASP A 128 15.756 2.635 -19.171 1.00 15.60 C ATOM 1011 OD1 ASP A 128 14.504 2.819 -19.073 1.00 12.56 O ATOM 1012 OD2 ASP A 128 16.602 2.766 -18.233 1.00 12.64 O ATOM 1013 H ASP A 128 16.730 1.612 -22.992 1.00 0.00 H ATOM 1014 N ARG A 129 13.398 3.640 -22.438 1.00 15.38 N ATOM 1015 CA ARG A 129 12.715 4.872 -22.829 1.00 17.70 C ATOM 1016 C ARG A 129 11.247 4.652 -22.430 1.00 16.99 C ATOM 1017 O ARG A 129 10.727 3.534 -22.575 1.00 17.83 O ATOM 1018 CB ARG A 129 12.914 5.165 -24.326 1.00 17.52 C ATOM 1019 CG ARG A 129 14.400 5.477 -24.726 1.00 19.64 C ATOM 1020 CD ARG A 129 14.604 6.444 -25.931 1.00 23.83 C ATOM 1021 NE ARG A 129 15.204 5.822 -27.131 1.00 32.46 N ATOM 1022 CZ ARG A 129 16.481 5.416 -27.236 1.00 33.92 C ATOM 1023 NH1 ARG A 129 17.326 5.524 -26.211 1.00 33.20 N ATOM 1024 NH2 ARG A 129 16.918 4.886 -28.368 1.00 34.32 N ATOM 1025 HE ARG A 129 14.589 5.688 -27.959 1.00 0.00 H ATOM 1026 HH12 ARG A 129 18.310 5.204 -26.313 1.00 0.00 H ATOM 1027 HH11 ARG A 129 17.001 5.928 -25.310 1.00 0.00 H ATOM 1028 HH22 ARG A 129 17.906 4.572 -28.448 1.00 0.00 H ATOM 1029 HH21 ARG A 129 16.273 4.783 -29.177 1.00 0.00 H ATOM 1030 H ARG A 129 12.890 2.737 -22.528 1.00 0.00 H ATOM 1031 N ASP A 129A 10.610 5.655 -21.846 1.00 16.99 N ATOM 1032 CA ASP A 129A 9.241 5.416 -21.316 1.00 17.15 C ATOM 1033 C ASP A 129A 8.244 5.166 -22.455 1.00 16.31 C ATOM 1034 O ASP A 129A 8.413 5.677 -23.565 1.00 15.83 O ATOM 1035 CB ASP A 129A 8.758 6.597 -20.491 1.00 16.77 C ATOM 1036 CG ASP A 129A 9.383 6.676 -19.123 1.00 17.80 C ATOM 1037 OD1 ASP A 129A 9.840 5.649 -18.520 1.00 18.83 O ATOM 1038 OD2 ASP A 129A 9.393 7.819 -18.639 1.00 19.82 O ATOM 1039 H ASP A 129A 11.057 6.590 -21.760 1.00 0.00 H ATOM 1040 N VAL A 130 7.149 4.451 -22.185 1.00 17.26 N ATOM 1041 CA VAL A 130 6.099 4.370 -23.197 1.00 16.80 C ATOM 1042 C VAL A 130 5.458 5.762 -23.207 1.00 17.04 C ATOM 1043 O VAL A 130 5.274 6.356 -22.136 1.00 17.65 O ATOM 1044 CB VAL A 130 5.028 3.359 -22.840 1.00 17.01 C ATOM 1045 CG1 VAL A 130 3.834 3.499 -23.782 1.00 13.34 C ATOM 1046 CG2 VAL A 130 5.605 1.892 -22.814 1.00 15.27 C ATOM 1047 H VAL A 130 7.046 3.962 -21.273 1.00 0.00 H ATOM 1048 N ALA A 131 5.114 6.252 -24.399 1.00 17.01 N ATOM 1049 CA ALA A 131 4.398 7.523 -24.604 1.00 16.45 C ATOM 1050 C ALA A 131 3.081 7.593 -23.820 1.00 15.96 C ATOM 1051 O ALA A 131 2.202 6.689 -23.974 1.00 14.70 O ATOM 1052 CB ALA A 131 4.100 7.695 -26.103 1.00 16.30 C ATOM 1053 H ALA A 131 5.369 5.699 -25.242 1.00 0.00 H ATOM 1054 N PRO A 132 2.889 8.662 -23.003 1.00 14.95 N ATOM 1055 CA PRO A 132 1.651 8.734 -22.213 1.00 13.30 C ATOM 1056 C PRO A 132 0.357 8.841 -22.998 1.00 12.87 C ATOM 1057 O PRO A 132 0.211 9.658 -23.938 1.00 16.03 O ATOM 1058 CB PRO A 132 1.846 10.017 -21.371 1.00 13.74 C ATOM 1059 CG PRO A 132 3.370 10.224 -21.381 1.00 15.28 C ATOM 1060 CD PRO A 132 3.762 9.823 -22.732 1.00 16.24 C ATOM 1061 N GLY A 133 -0.637 8.130 -22.557 1.00 11.09 N ATOM 1062 CA GLY A 133 -1.860 8.012 -23.330 1.00 10.83 C ATOM 1063 C GLY A 133 -1.917 6.776 -24.214 1.00 8.37 C ATOM 1064 O GLY A 133 -3.012 6.406 -24.630 1.00 8.67 O ATOM 1065 H GLY A 133 -0.556 7.641 -21.643 1.00 0.00 H ATOM 1066 N THR A 134 -0.771 6.142 -24.482 1.00 7.82 N ATOM 1067 CA THR A 134 -0.729 4.854 -25.258 1.00 6.35 C ATOM 1068 C THR A 134 -1.540 3.838 -24.483 1.00 7.54 C ATOM 1069 O THR A 134 -1.284 3.671 -23.250 1.00 7.21 O ATOM 1070 CB THR A 134 0.713 4.367 -25.465 1.00 6.51 C ATOM 1071 OG1 THR A 134 1.548 5.430 -25.976 1.00 11.86 O ATOM 1072 CG2 THR A 134 0.781 3.184 -26.406 1.00 6.00 C ATOM 1073 HG1 THR A 134 1.555 6.182 -25.332 1.00 0.00 H ATOM 1074 H THR A 134 0.122 6.553 -24.142 1.00 0.00 H ATOM 1075 N LEU A 135 -2.529 3.175 -25.158 1.00 7.52 N ATOM 1076 CA LEU A 135 -3.222 1.969 -24.587 1.00 5.99 C ATOM 1077 C LEU A 135 -2.347 0.669 -24.698 1.00 8.25 C ATOM 1078 O LEU A 135 -1.997 0.189 -25.811 1.00 6.66 O ATOM 1079 CB LEU A 135 -4.575 1.679 -25.296 1.00 6.86 C ATOM 1080 CG LEU A 135 -5.696 2.735 -25.239 1.00 8.11 C ATOM 1081 CD1 LEU A 135 -7.039 2.191 -25.668 1.00 10.93 C ATOM 1082 CD2 LEU A 135 -5.784 3.192 -23.842 1.00 8.64 C ATOM 1083 H LEU A 135 -2.811 3.517 -26.099 1.00 0.00 H ATOM 1084 N CYS A 136 -2.088 0.070 -23.542 1.00 9.36 N ATOM 1085 CA CYS A 136 -1.396 -1.193 -23.406 1.00 10.35 C ATOM 1086 C CYS A 136 -2.322 -2.311 -22.836 1.00 10.44 C ATOM 1087 O CYS A 136 -3.360 -2.069 -22.165 1.00 11.10 O ATOM 1088 CB CYS A 136 -0.162 -0.985 -22.524 1.00 11.51 C ATOM 1089 SG CYS A 136 1.030 0.216 -23.282 1.00 11.19 S ATOM 1090 H CYS A 136 -2.405 0.543 -22.672 1.00 0.00 H ATOM 1091 N ASP A 137 -1.941 -3.528 -23.119 1.00 7.84 N ATOM 1092 CA ASP A 137 -2.795 -4.661 -22.876 1.00 8.28 C ATOM 1093 C ASP A 137 -2.250 -5.382 -21.661 1.00 7.63 C ATOM 1094 O ASP A 137 -1.059 -5.774 -21.617 1.00 7.26 O ATOM 1095 CB ASP A 137 -2.760 -5.560 -24.118 1.00 8.62 C ATOM 1096 CG ASP A 137 -3.802 -6.691 -24.077 1.00 14.54 C ATOM 1097 OD1 ASP A 137 -4.977 -6.445 -23.777 1.00 13.20 O ATOM 1098 OD2 ASP A 137 -3.425 -7.844 -24.375 1.00 24.59 O ATOM 1099 H ASP A 137 -0.998 -3.682 -23.530 1.00 0.00 H ATOM 1100 N VAL A 138 -3.090 -5.559 -20.660 1.00 6.93 N ATOM 1101 CA VAL A 138 -2.684 -6.402 -19.525 1.00 6.27 C ATOM 1102 C VAL A 138 -3.687 -7.528 -19.379 1.00 6.04 C ATOM 1103 O VAL A 138 -4.898 -7.286 -19.431 1.00 5.15 O ATOM 1104 CB VAL A 138 -2.542 -5.602 -18.178 1.00 6.60 C ATOM 1105 CG1 VAL A 138 -3.725 -4.722 -17.920 1.00 7.46 C ATOM 1106 CG2 VAL A 138 -2.321 -6.572 -16.986 1.00 7.05 C ATOM 1107 H VAL A 138 -4.027 -5.108 -20.673 1.00 0.00 H ATOM 1108 N ALA A 139 -3.171 -8.743 -19.174 1.00 5.20 N ATOM 1109 CA ALA A 139 -3.984 -9.927 -19.118 1.00 4.29 C ATOM 1110 C ALA A 139 -3.690 -10.728 -17.857 1.00 4.78 C ATOM 1111 O ALA A 139 -2.567 -10.695 -17.344 1.00 5.39 O ATOM 1112 CB ALA A 139 -3.790 -10.771 -20.296 1.00 4.15 C ATOM 1113 H ALA A 139 -2.143 -8.836 -19.050 1.00 0.00 H ATOM 1114 N GLY A 140 -4.698 -11.447 -17.393 1.00 2.88 N ATOM 1115 CA GLY A 140 -4.531 -12.261 -16.176 1.00 2.00 C ATOM 1116 C GLY A 140 -5.784 -13.065 -15.815 1.00 2.56 C ATOM 1117 O GLY A 140 -6.933 -12.890 -16.399 1.00 3.28 O ATOM 1118 H GLY A 140 -5.612 -11.438 -17.889 1.00 0.00 H ATOM 1119 N TRP A 141 -5.535 -14.008 -14.916 1.00 2.84 N ATOM 1120 CA TRP A 141 -6.598 -14.811 -14.313 1.00 5.75 C ATOM 1121 C TRP A 141 -6.876 -14.300 -12.898 1.00 5.59 C ATOM 1122 O TRP A 141 -7.369 -15.031 -12.029 1.00 6.06 O ATOM 1123 CB TRP A 141 -6.231 -16.285 -14.243 1.00 5.53 C ATOM 1124 CG TRP A 141 -6.211 -17.046 -15.521 1.00 2.98 C ATOM 1125 CD1 TRP A 141 -7.261 -17.731 -16.104 1.00 2.78 C ATOM 1126 CD2 TRP A 141 -5.080 -17.281 -16.315 1.00 2.00 C ATOM 1127 NE1 TRP A 141 -6.834 -18.290 -17.295 1.00 2.00 N ATOM 1128 CE2 TRP A 141 -5.492 -18.125 -17.391 1.00 4.50 C ATOM 1129 CE3 TRP A 141 -3.736 -16.904 -16.223 1.00 7.52 C ATOM 1130 CZ2 TRP A 141 -4.614 -18.526 -18.392 1.00 5.90 C ATOM 1131 CZ3 TRP A 141 -2.841 -17.332 -17.210 1.00 5.48 C ATOM 1132 CH2 TRP A 141 -3.293 -18.140 -18.272 1.00 3.80 C ATOM 1133 HE1 TRP A 141 -7.440 -18.758 -17.998 1.00 0.00 H ATOM 1134 H TRP A 141 -4.550 -14.182 -14.630 1.00 0.00 H ATOM 1135 N GLY A 142 -6.458 -13.068 -12.673 1.00 7.17 N ATOM 1136 CA GLY A 142 -6.749 -12.263 -11.451 1.00 5.90 C ATOM 1137 C GLY A 142 -8.237 -12.057 -11.140 1.00 4.20 C ATOM 1138 O GLY A 142 -9.192 -12.386 -11.944 1.00 2.22 O ATOM 1139 H GLY A 142 -5.877 -12.621 -13.410 1.00 0.00 H ATOM 1140 N ILE A 143 -8.494 -11.573 -9.920 1.00 5.74 N ATOM 1141 CA ILE A 143 -9.917 -11.456 -9.523 1.00 5.96 C ATOM 1142 C ILE A 143 -10.617 -10.480 -10.535 1.00 5.82 C ATOM 1143 O ILE A 143 -9.978 -9.536 -10.991 1.00 3.73 O ATOM 1144 CB ILE A 143 -10.067 -10.999 -8.024 1.00 5.84 C ATOM 1145 CG1 ILE A 143 -9.426 -9.618 -7.782 1.00 7.21 C ATOM 1146 CG2 ILE A 143 -9.547 -12.090 -6.998 1.00 6.37 C ATOM 1147 CD1 ILE A 143 -9.888 -8.942 -6.520 1.00 7.36 C ATOM 1148 H ILE A 143 -7.727 -11.291 -9.277 1.00 0.00 H ATOM 1149 N VAL A 144 -11.906 -10.720 -10.841 1.00 7.20 N ATOM 1150 CA VAL A 144 -12.693 -9.823 -11.768 1.00 6.54 C ATOM 1151 C VAL A 144 -13.782 -8.932 -11.117 1.00 8.04 C ATOM 1152 O VAL A 144 -14.535 -8.152 -11.819 1.00 7.30 O ATOM 1153 CB VAL A 144 -13.380 -10.694 -12.857 1.00 6.08 C ATOM 1154 CG1 VAL A 144 -12.343 -11.387 -13.687 1.00 7.07 C ATOM 1155 CG2 VAL A 144 -14.394 -11.660 -12.196 1.00 7.59 C ATOM 1156 H VAL A 144 -12.375 -11.550 -10.426 1.00 0.00 H ATOM 1157 N ASN A 145 -13.874 -9.004 -9.793 1.00 8.92 N ATOM 1158 CA ASN A 145 -14.607 -7.966 -9.042 1.00 8.44 C ATOM 1159 C ASN A 145 -14.081 -7.811 -7.604 1.00 9.33 C ATOM 1160 O ASN A 145 -13.236 -8.570 -7.188 1.00 9.92 O ATOM 1161 CB ASN A 145 -16.127 -8.214 -9.059 1.00 9.57 C ATOM 1162 CG ASN A 145 -16.513 -9.589 -8.499 1.00 11.64 C ATOM 1163 OD1 ASN A 145 -15.991 -10.050 -7.472 1.00 11.33 O ATOM 1164 ND2 ASN A 145 -17.422 -10.263 -9.195 1.00 13.08 N ATOM 1165 HD22 ASN A 145 -17.837 -9.844 -10.051 1.00 0.00 H ATOM 1166 HD21 ASN A 145 -17.718 -11.210 -8.884 1.00 0.00 H ATOM 1167 H ASN A 145 -13.428 -9.794 -9.285 1.00 0.00 H ATOM 1168 N HIS A 146 -14.663 -6.891 -6.823 1.00 10.18 N ATOM 1169 CA HIS A 146 -14.230 -6.677 -5.448 1.00 12.11 C ATOM 1170 C HIS A 146 -14.670 -7.717 -4.408 1.00 13.41 C ATOM 1171 O HIS A 146 -14.250 -7.676 -3.254 1.00 14.73 O ATOM 1172 CB HIS A 146 -14.602 -5.286 -4.993 1.00 12.29 C ATOM 1173 CG HIS A 146 -13.805 -4.200 -5.660 1.00 11.71 C ATOM 1174 ND1 HIS A 146 -14.295 -3.457 -6.705 1.00 13.16 N ATOM 1175 CD2 HIS A 146 -12.559 -3.721 -5.410 1.00 15.87 C ATOM 1176 CE1 HIS A 146 -13.391 -2.565 -7.081 1.00 12.72 C ATOM 1177 NE2 HIS A 146 -12.318 -2.718 -6.320 1.00 14.32 N ATOM 1178 H HIS A 146 -15.441 -6.317 -7.206 1.00 0.00 H ATOM 1179 N ALA A 147 -15.459 -8.682 -4.852 1.00 14.73 N ATOM 1180 CA ALA A 147 -15.917 -9.794 -4.023 1.00 14.37 C ATOM 1181 C ALA A 147 -14.942 -10.940 -4.196 1.00 13.70 C ATOM 1182 O ALA A 147 -15.077 -11.989 -3.560 1.00 15.70 O ATOM 1183 CB ALA A 147 -17.330 -10.254 -4.499 1.00 13.45 C ATOM 1184 H ALA A 147 -15.770 -8.647 -5.844 1.00 0.00 H ATOM 1185 N GLY A 149 -13.974 -10.821 -5.157 1.00 11.60 N ATOM 1186 CA GLY A 149 -12.922 -11.820 -5.304 1.00 11.57 C ATOM 1187 C GLY A 149 -13.318 -12.905 -6.276 1.00 11.73 C ATOM 1188 O GLY A 149 -12.728 -13.996 -6.217 1.00 12.30 O ATOM 1189 H GLY A 149 -13.989 -10.000 -5.796 1.00 0.00 H ATOM 1190 N ARG A 150 -14.304 -12.647 -7.155 1.00 9.82 N ATOM 1191 CA ARG A 150 -14.677 -13.736 -8.091 1.00 11.61 C ATOM 1192 C ARG A 150 -13.436 -14.152 -8.923 1.00 11.85 C ATOM 1193 O ARG A 150 -12.742 -13.302 -9.444 1.00 10.81 O ATOM 1194 CB ARG A 150 -15.846 -13.377 -8.988 1.00 12.34 C ATOM 1195 CG ARG A 150 -16.169 -14.498 -9.913 1.00 15.68 C ATOM 1196 CD ARG A 150 -17.097 -14.050 -10.967 1.00 20.85 C ATOM 1197 NE ARG A 150 -17.932 -15.167 -11.361 1.00 29.42 N ATOM 1198 CZ ARG A 150 -19.077 -15.048 -12.028 1.00 30.30 C ATOM 1199 NH1 ARG A 150 -19.485 -13.842 -12.415 1.00 30.52 N ATOM 1200 NH2 ARG A 150 -19.794 -16.140 -12.326 1.00 30.11 N ATOM 1201 HE ARG A 150 -17.615 -16.124 -11.106 1.00 0.00 H ATOM 1202 HH12 ARG A 150 -20.379 -13.738 -12.937 1.00 0.00 H ATOM 1203 HH11 ARG A 150 -18.910 -13.003 -12.196 1.00 0.00 H ATOM 1204 HH22 ARG A 150 -20.689 -16.048 -12.847 1.00 0.00 H ATOM 1205 HH21 ARG A 150 -19.455 -17.080 -12.036 1.00 0.00 H ATOM 1206 H ARG A 150 -14.784 -11.724 -7.177 1.00 0.00 H ATOM 1207 N ARG A 151 -13.147 -15.442 -8.997 1.00 12.25 N ATOM 1208 CA ARG A 151 -11.970 -15.893 -9.760 1.00 12.61 C ATOM 1209 C ARG A 151 -12.381 -16.387 -11.108 1.00 10.93 C ATOM 1210 O ARG A 151 -13.217 -17.322 -11.210 1.00 12.73 O ATOM 1211 CB ARG A 151 -11.164 -16.943 -8.982 1.00 13.10 C ATOM 1212 CG ARG A 151 -11.016 -16.633 -7.490 1.00 13.50 C ATOM 1213 CD ARG A 151 -10.002 -17.541 -6.811 1.00 18.23 C ATOM 1214 NE ARG A 151 -10.613 -18.720 -6.191 1.00 27.41 N ATOM 1215 CZ ARG A 151 -10.780 -19.888 -6.797 1.00 32.50 C ATOM 1216 NH1 ARG A 151 -10.379 -20.059 -8.065 1.00 36.23 N ATOM 1217 NH2 ARG A 151 -11.341 -20.900 -6.140 1.00 34.89 N ATOM 1218 HE ARG A 151 -10.938 -18.635 -5.207 1.00 0.00 H ATOM 1219 HH12 ARG A 151 -10.513 -20.978 -8.533 1.00 0.00 H ATOM 1220 HH11 ARG A 151 -9.934 -19.273 -8.580 1.00 0.00 H ATOM 1221 HH22 ARG A 151 -11.473 -21.817 -6.612 1.00 0.00 H ATOM 1222 HH21 ARG A 151 -11.647 -20.774 -5.154 1.00 0.00 H ATOM 1223 H ARG A 151 -13.752 -16.138 -8.516 1.00 0.00 H ATOM 1224 N PRO A 152 -11.786 -15.842 -12.194 1.00 10.31 N ATOM 1225 CA PRO A 152 -12.247 -16.381 -13.508 1.00 8.54 C ATOM 1226 C PRO A 152 -11.607 -17.711 -13.886 1.00 8.90 C ATOM 1227 O PRO A 152 -10.412 -17.936 -13.663 1.00 9.87 O ATOM 1228 CB PRO A 152 -11.782 -15.340 -14.529 1.00 7.01 C ATOM 1229 CG PRO A 152 -10.540 -14.668 -13.844 1.00 8.90 C ATOM 1230 CD PRO A 152 -10.693 -14.868 -12.324 1.00 10.75 C ATOM 1231 N ASP A 153 -12.384 -18.576 -14.532 1.00 8.03 N ATOM 1232 CA ASP A 153 -11.793 -19.843 -15.060 1.00 7.58 C ATOM 1233 C ASP A 153 -10.969 -19.522 -16.277 1.00 7.76 C ATOM 1234 O ASP A 153 -9.893 -20.117 -16.476 1.00 6.25 O ATOM 1235 CB ASP A 153 -12.876 -20.848 -15.399 1.00 8.76 C ATOM 1236 CG ASP A 153 -12.307 -22.203 -15.884 1.00 7.58 C ATOM 1237 OD1 ASP A 153 -11.599 -22.844 -15.107 1.00 6.88 O ATOM 1238 OD2 ASP A 153 -12.595 -22.577 -17.060 1.00 10.12 O ATOM 1239 H ASP A 153 -13.395 -18.372 -14.669 1.00 0.00 H ATOM 1240 N SER A 154 -11.383 -18.480 -17.034 1.00 7.56 N ATOM 1241 CA SER A 154 -10.651 -18.210 -18.309 1.00 9.74 C ATOM 1242 C SER A 154 -9.911 -16.883 -18.360 1.00 7.83 C ATOM 1243 O SER A 154 -10.282 -15.911 -17.653 1.00 8.34 O ATOM 1244 CB SER A 154 -11.584 -18.339 -19.535 1.00 10.39 C ATOM 1245 OG SER A 154 -12.251 -17.102 -19.800 1.00 17.33 O ATOM 1246 HG SER A 154 -12.841 -17.209 -20.587 1.00 0.00 H ATOM 1247 H SER A 154 -12.184 -17.886 -16.739 1.00 0.00 H ATOM 1248 N LEU A 155 -8.939 -16.795 -19.275 1.00 6.34 N ATOM 1249 CA LEU A 155 -7.982 -15.698 -19.231 1.00 7.00 C ATOM 1250 C LEU A 155 -8.793 -14.468 -19.575 1.00 7.67 C ATOM 1251 O LEU A 155 -9.660 -14.538 -20.486 1.00 8.49 O ATOM 1252 CB LEU A 155 -6.849 -15.906 -20.262 1.00 6.63 C ATOM 1253 CG LEU A 155 -5.875 -14.729 -20.346 1.00 5.61 C ATOM 1254 CD1 LEU A 155 -5.081 -14.656 -19.054 1.00 10.50 C ATOM 1255 CD2 LEU A 155 -4.910 -15.027 -21.501 1.00 10.16 C ATOM 1256 H LEU A 155 -8.866 -17.514 -20.022 1.00 0.00 H ATOM 1257 N GLN A 156 -8.555 -13.398 -18.824 1.00 5.50 N ATOM 1258 CA GLN A 156 -9.217 -12.073 -19.050 1.00 5.50 C ATOM 1259 C GLN A 156 -8.172 -11.068 -19.550 1.00 4.43 C ATOM 1260 O GLN A 156 -6.953 -11.259 -19.332 1.00 2.87 O ATOM 1261 CB GLN A 156 -9.861 -11.486 -17.769 1.00 4.32 C ATOM 1262 CG GLN A 156 -10.867 -12.452 -17.086 1.00 8.29 C ATOM 1263 CD GLN A 156 -12.092 -12.717 -17.933 1.00 10.31 C ATOM 1264 OE1 GLN A 156 -12.869 -11.811 -18.223 1.00 17.05 O ATOM 1265 NE2 GLN A 156 -12.243 -13.930 -18.364 1.00 6.96 N ATOM 1266 HE22 GLN A 156 -11.561 -14.667 -18.093 1.00 0.00 H ATOM 1267 HE21 GLN A 156 -13.047 -14.167 -18.980 1.00 0.00 H ATOM 1268 H GLN A 156 -7.876 -13.484 -18.041 1.00 0.00 H ATOM 1269 N HIS A 157 -8.634 -9.968 -20.159 1.00 5.53 N ATOM 1270 CA HIS A 157 -7.660 -8.877 -20.369 1.00 6.04 C ATOM 1271 C HIS A 157 -8.331 -7.534 -20.399 1.00 6.63 C ATOM 1272 O HIS A 157 -9.588 -7.453 -20.468 1.00 6.15 O ATOM 1273 CB HIS A 157 -6.901 -9.109 -21.657 1.00 6.33 C ATOM 1274 CG HIS A 157 -7.719 -8.794 -22.878 1.00 7.26 C ATOM 1275 ND1 HIS A 157 -7.412 -7.731 -23.708 1.00 12.26 N ATOM 1276 CD2 HIS A 157 -8.787 -9.420 -23.429 1.00 7.90 C ATOM 1277 CE1 HIS A 157 -8.293 -7.700 -24.701 1.00 14.64 C ATOM 1278 NE2 HIS A 157 -9.170 -8.678 -24.524 1.00 6.05 N ATOM 1279 H HIS A 157 -9.624 -9.886 -20.467 1.00 0.00 H ATOM 1280 N VAL A 158 -7.509 -6.473 -20.425 1.00 4.85 N ATOM 1281 CA VAL A 158 -8.073 -5.106 -20.624 1.00 6.01 C ATOM 1282 C VAL A 158 -6.982 -4.208 -21.184 1.00 6.34 C ATOM 1283 O VAL A 158 -5.776 -4.413 -20.920 1.00 5.33 O ATOM 1284 CB VAL A 158 -8.553 -4.516 -19.217 1.00 5.53 C ATOM 1285 CG1 VAL A 158 -7.317 -4.369 -18.342 1.00 4.89 C ATOM 1286 CG2 VAL A 158 -9.397 -3.240 -19.380 1.00 7.29 C ATOM 1287 H VAL A 158 -6.484 -6.603 -20.307 1.00 0.00 H ATOM 1288 N LEU A 159 -7.424 -3.212 -21.951 1.00 7.47 N ATOM 1289 CA LEU A 159 -6.547 -2.175 -22.473 1.00 8.28 C ATOM 1290 C LEU A 159 -6.638 -0.964 -21.542 1.00 7.79 C ATOM 1291 O LEU A 159 -7.751 -0.537 -21.092 1.00 7.26 O ATOM 1292 CB LEU A 159 -6.986 -1.823 -23.870 1.00 6.77 C ATOM 1293 CG LEU A 159 -6.672 -2.843 -24.985 1.00 11.90 C ATOM 1294 CD1 LEU A 159 -7.253 -2.289 -26.247 1.00 7.38 C ATOM 1295 CD2 LEU A 159 -5.158 -2.980 -25.150 1.00 15.51 C ATOM 1296 H LEU A 159 -8.436 -3.174 -22.186 1.00 0.00 H ATOM 1297 N LEU A 160 -5.452 -0.444 -21.242 1.00 8.29 N ATOM 1298 CA LEU A 160 -5.255 0.584 -20.269 1.00 8.24 C ATOM 1299 C LEU A 160 -4.272 1.663 -20.787 1.00 8.88 C ATOM 1300 O LEU A 160 -3.232 1.331 -21.379 1.00 8.09 O ATOM 1301 CB LEU A 160 -4.673 -0.017 -19.002 1.00 7.51 C ATOM 1302 CG LEU A 160 -5.389 -0.985 -18.058 1.00 8.66 C ATOM 1303 CD1 LEU A 160 -4.512 -1.117 -16.875 1.00 10.03 C ATOM 1304 CD2 LEU A 160 -6.755 -0.449 -17.608 1.00 11.18 C ATOM 1305 H LEU A 160 -4.618 -0.807 -21.745 1.00 0.00 H ATOM 1306 N PRO A 161 -4.606 2.954 -20.576 1.00 10.15 N ATOM 1307 CA PRO A 161 -3.821 4.134 -20.946 1.00 9.84 C ATOM 1308 C PRO A 161 -2.628 4.300 -19.984 1.00 8.88 C ATOM 1309 O PRO A 161 -2.798 4.298 -18.772 1.00 8.73 O ATOM 1310 CB PRO A 161 -4.832 5.296 -20.802 1.00 10.65 C ATOM 1311 CG PRO A 161 -6.151 4.637 -20.647 1.00 12.50 C ATOM 1312 CD PRO A 161 -5.889 3.340 -19.984 1.00 12.28 C ATOM 1313 N VAL A 162 -1.422 4.381 -20.532 1.00 8.14 N ATOM 1314 CA VAL A 162 -0.258 4.548 -19.715 1.00 6.80 C ATOM 1315 C VAL A 162 -0.240 6.035 -19.278 1.00 7.30 C ATOM 1316 O VAL A 162 -0.391 6.928 -20.149 1.00 9.58 O ATOM 1317 CB VAL A 162 1.034 4.267 -20.509 1.00 5.97 C ATOM 1318 CG1 VAL A 162 2.248 4.814 -19.735 1.00 4.79 C ATOM 1319 CG2 VAL A 162 1.154 2.812 -20.908 1.00 5.99 C ATOM 1320 H VAL A 162 -1.321 4.323 -21.565 1.00 0.00 H ATOM 1321 N LEU A 163 0.032 6.274 -17.987 1.00 6.42 N ATOM 1322 CA LEU A 163 0.129 7.621 -17.400 1.00 9.32 C ATOM 1323 C LEU A 163 1.494 8.309 -17.604 1.00 9.82 C ATOM 1324 O LEU A 163 2.528 7.607 -17.790 1.00 10.40 O ATOM 1325 CB LEU A 163 -0.169 7.563 -15.900 1.00 8.91 C ATOM 1326 CG LEU A 163 -1.568 7.180 -15.498 1.00 8.99 C ATOM 1327 CD1 LEU A 163 -1.672 7.399 -13.949 1.00 10.24 C ATOM 1328 CD2 LEU A 163 -2.671 7.867 -16.228 1.00 10.58 C ATOM 1329 H LEU A 163 0.184 5.457 -17.361 1.00 0.00 H ATOM 1330 N ASP A 164 1.497 9.658 -17.612 1.00 12.74 N ATOM 1331 CA ASP A 164 2.785 10.388 -17.559 1.00 13.88 C ATOM 1332 C ASP A 164 3.383 10.186 -16.134 1.00 15.14 C ATOM 1333 O ASP A 164 2.658 9.887 -15.185 1.00 14.26 O ATOM 1334 CB ASP A 164 2.760 11.851 -18.118 1.00 15.67 C ATOM 1335 CG ASP A 164 1.860 12.823 -17.316 1.00 16.27 C ATOM 1336 OD1 ASP A 164 1.068 13.635 -17.930 1.00 16.22 O ATOM 1337 OD2 ASP A 164 1.989 12.817 -16.077 1.00 15.20 O ATOM 1338 H ASP A 164 0.600 10.183 -17.655 1.00 0.00 H ATOM 1339 N ARG A 165 4.705 10.249 -16.008 1.00 16.08 N ATOM 1340 CA ARG A 165 5.312 9.903 -14.708 1.00 16.66 C ATOM 1341 C ARG A 165 4.915 10.907 -13.607 1.00 14.96 C ATOM 1342 O ARG A 165 4.598 10.530 -12.452 1.00 14.06 O ATOM 1343 CB ARG A 165 6.827 9.655 -14.820 1.00 16.77 C ATOM 1344 CG ARG A 165 7.453 9.085 -13.518 1.00 20.77 C ATOM 1345 CD ARG A 165 8.986 8.800 -13.656 1.00 21.02 C ATOM 1346 NE ARG A 165 9.336 7.368 -13.861 1.00 26.29 N ATOM 1347 CZ ARG A 165 9.080 6.695 -14.994 1.00 24.80 C ATOM 1348 NH1 ARG A 165 8.440 7.284 -16.009 1.00 23.72 N ATOM 1349 NH2 ARG A 165 9.476 5.446 -15.136 1.00 21.21 N ATOM 1350 HE ARG A 165 9.805 6.861 -13.084 1.00 0.00 H ATOM 1351 HH12 ARG A 165 8.248 6.752 -16.881 1.00 0.00 H ATOM 1352 HH11 ARG A 165 8.134 8.275 -15.926 1.00 0.00 H ATOM 1353 HH22 ARG A 165 9.273 4.933 -16.018 1.00 0.00 H ATOM 1354 HH21 ARG A 165 9.992 4.973 -14.366 1.00 0.00 H ATOM 1355 H ARG A 165 5.300 10.537 -16.811 1.00 0.00 H ATOM 1356 N ALA A 166 4.799 12.183 -13.991 1.00 15.36 N ATOM 1357 CA ALA A 166 4.327 13.199 -13.101 1.00 14.74 C ATOM 1358 C ALA A 166 2.921 12.919 -12.536 1.00 15.71 C ATOM 1359 O ALA A 166 2.621 13.326 -11.399 1.00 16.48 O ATOM 1360 CB ALA A 166 4.414 14.665 -13.806 1.00 16.41 C ATOM 1361 H ALA A 166 5.059 12.444 -14.964 1.00 0.00 H ATOM 1362 N THR A 167 2.047 12.239 -13.290 1.00 14.19 N ATOM 1363 CA THR A 167 0.701 11.951 -12.738 1.00 17.05 C ATOM 1364 C THR A 167 0.794 10.748 -11.796 1.00 19.18 C ATOM 1365 O THR A 167 0.234 10.783 -10.706 1.00 19.17 O ATOM 1366 CB THR A 167 -0.397 11.691 -13.788 1.00 16.43 C ATOM 1367 OG1 THR A 167 -0.237 12.556 -14.920 1.00 17.19 O ATOM 1368 CG2 THR A 167 -1.799 11.910 -13.167 1.00 19.01 C ATOM 1369 HG1 THR A 167 0.647 12.394 -15.336 1.00 0.00 H ATOM 1370 H THR A 167 2.308 11.919 -14.245 1.00 0.00 H ATOM 1371 N CYS A 168 1.587 9.756 -12.215 1.00 20.61 N ATOM 1372 CA CYS A 168 1.832 8.499 -11.492 1.00 22.14 C ATOM 1373 C CYS A 168 2.369 8.906 -10.112 1.00 22.37 C ATOM 1374 O CYS A 168 2.155 8.205 -9.102 1.00 21.92 O ATOM 1375 CB CYS A 168 2.767 7.582 -12.323 1.00 20.96 C ATOM 1376 SG CYS A 168 3.512 6.084 -11.589 1.00 26.98 S ATOM 1377 H CYS A 168 2.070 9.884 -13.127 1.00 0.00 H ATOM 1378 N ASN A 169 2.948 10.107 -10.076 1.00 22.29 N ATOM 1379 CA ASN A 169 3.374 10.754 -8.835 1.00 22.39 C ATOM 1380 C ASN A 169 2.528 11.999 -8.541 1.00 21.53 C ATOM 1381 O ASN A 169 2.430 12.402 -7.380 1.00 21.75 O ATOM 1382 CB ASN A 169 4.857 11.134 -8.892 1.00 21.36 C ATOM 1383 CG ASN A 169 5.739 10.006 -9.416 1.00 25.22 C ATOM 1384 OD1 ASN A 169 5.236 9.000 -9.933 1.00 27.73 O ATOM 1385 ND2 ASN A 169 7.067 10.192 -9.337 1.00 21.59 N ATOM 1386 HD22 ASN A 169 7.446 11.053 -8.894 1.00 0.00 H ATOM 1387 HD21 ASN A 169 7.716 9.475 -9.719 1.00 0.00 H ATOM 1388 H ASN A 169 3.104 10.608 -10.974 1.00 0.00 H TER 1389 ASN A 169 ATOM 1390 N GLU A 178 11.638 5.877 -11.269 1.00 17.33 N ATOM 1391 CA GLU A 178 12.166 5.666 -12.655 1.00 16.51 C ATOM 1392 C GLU A 178 12.092 4.222 -13.185 1.00 14.31 C ATOM 1393 O GLU A 178 11.972 4.031 -14.412 1.00 14.35 O ATOM 1394 CB GLU A 178 13.585 6.231 -12.852 1.00 17.69 C ATOM 1395 CG GLU A 178 14.671 5.566 -12.028 1.00 21.15 C ATOM 1396 CD GLU A 178 16.087 5.994 -12.405 1.00 21.99 C ATOM 1397 OE1 GLU A 178 16.281 6.728 -13.417 1.00 28.94 O ATOM 1398 OE2 GLU A 178 17.027 5.610 -11.658 1.00 25.43 O ATOM 1399 HN3 GLU A 178 12.179 5.292 -10.600 1.00 0.00 H ATOM 1400 HN2 GLU A 178 10.635 5.605 -11.236 1.00 0.00 H ATOM 1401 HN1 GLU A 178 11.735 6.880 -11.011 1.00 0.00 H ATOM 1402 N ARG A 179 12.105 3.211 -12.298 1.00 11.72 N ATOM 1403 CA ARG A 179 11.955 1.770 -12.705 1.00 11.39 C ATOM 1404 C ARG A 179 10.493 1.221 -12.764 1.00 10.05 C ATOM 1405 O ARG A 179 10.262 0.038 -13.098 1.00 9.79 O ATOM 1406 CB ARG A 179 12.830 0.904 -11.767 1.00 10.63 C ATOM 1407 CG ARG A 179 14.261 1.514 -11.673 1.00 11.58 C ATOM 1408 CD ARG A 179 15.220 0.696 -10.940 1.00 15.75 C ATOM 1409 NE ARG A 179 15.991 -0.079 -11.910 1.00 24.39 N ATOM 1410 CZ ARG A 179 17.081 -0.781 -11.633 1.00 20.81 C ATOM 1411 NH1 ARG A 179 17.557 -0.832 -10.407 1.00 27.03 N ATOM 1412 NH2 ARG A 179 17.693 -1.436 -12.592 1.00 21.63 N ATOM 1413 HE ARG A 179 15.658 -0.080 -12.895 1.00 0.00 H ATOM 1414 HH12 ARG A 179 18.413 -1.387 -10.204 1.00 0.00 H ATOM 1415 HH11 ARG A 179 17.077 -0.318 -9.641 1.00 0.00 H ATOM 1416 HH22 ARG A 179 18.548 -1.988 -12.381 1.00 0.00 H ATOM 1417 HH21 ARG A 179 17.322 -1.403 -13.563 1.00 0.00 H ATOM 1418 H ARG A 179 12.224 3.434 -11.289 1.00 0.00 H ATOM 1419 N LEU A 180 9.543 2.117 -12.447 1.00 9.64 N ATOM 1420 CA LEU A 180 8.108 1.817 -12.428 1.00 9.72 C ATOM 1421 C LEU A 180 7.385 2.659 -13.460 1.00 8.36 C ATOM 1422 O LEU A 180 7.848 3.754 -13.825 1.00 8.79 O ATOM 1423 CB LEU A 180 7.532 2.159 -11.066 1.00 10.22 C ATOM 1424 CG LEU A 180 8.059 1.507 -9.760 1.00 12.62 C ATOM 1425 CD1 LEU A 180 7.364 2.227 -8.623 1.00 10.46 C ATOM 1426 CD2 LEU A 180 7.913 0.025 -9.702 1.00 12.55 C ATOM 1427 H LEU A 180 9.844 3.081 -12.200 1.00 0.00 H ATOM 1428 N MET A 181 6.258 2.128 -13.941 1.00 6.78 N ATOM 1429 CA MET A 181 5.305 2.817 -14.732 1.00 6.45 C ATOM 1430 C MET A 181 3.835 2.602 -14.209 1.00 6.72 C ATOM 1431 O MET A 181 3.507 1.603 -13.575 1.00 5.12 O ATOM 1432 CB MET A 181 5.441 2.451 -16.198 1.00 6.60 C ATOM 1433 CG MET A 181 4.963 1.036 -16.506 1.00 2.00 C ATOM 1434 SD MET A 181 5.340 0.390 -18.135 1.00 11.33 S ATOM 1435 CE MET A 181 4.239 1.358 -19.170 1.00 12.03 C ATOM 1436 H MET A 181 6.065 1.131 -13.718 1.00 0.00 H ATOM 1437 N CYS A 182 2.974 3.535 -14.573 1.00 6.63 N ATOM 1438 CA CYS A 182 1.602 3.504 -14.128 1.00 7.60 C ATOM 1439 C CYS A 182 0.677 3.454 -15.314 1.00 7.80 C ATOM 1440 O CYS A 182 0.948 4.089 -16.360 1.00 8.14 O ATOM 1441 CB CYS A 182 1.306 4.739 -13.300 1.00 10.01 C ATOM 1442 SG CYS A 182 2.087 4.641 -11.709 1.00 17.52 S ATOM 1443 H CYS A 182 3.291 4.307 -15.193 1.00 0.00 H ATOM 1444 N ALA A 183 -0.472 2.786 -15.127 1.00 7.72 N ATOM 1445 CA ALA A 183 -1.561 2.913 -16.074 1.00 6.92 C ATOM 1446 C ALA A 183 -2.921 3.317 -15.399 1.00 7.08 C ATOM 1447 O ALA A 183 -3.072 3.166 -14.185 1.00 6.68 O ATOM 1448 CB ALA A 183 -1.694 1.685 -16.809 1.00 7.91 C ATOM 1449 H ALA A 183 -0.582 2.172 -14.295 1.00 0.00 H ATOM 1450 N GLU A 184 -3.860 3.898 -16.171 1.00 7.28 N ATOM 1451 CA GLU A 184 -5.155 4.316 -15.561 1.00 10.63 C ATOM 1452 C GLU A 184 -5.788 3.133 -14.832 1.00 8.43 C ATOM 1453 O GLU A 184 -5.843 2.034 -15.342 1.00 9.27 O ATOM 1454 CB GLU A 184 -6.137 4.900 -16.560 1.00 10.63 C ATOM 1455 CG GLU A 184 -5.925 6.462 -16.813 1.00 16.21 C ATOM 1456 CD GLU A 184 -6.780 7.023 -17.974 1.00 17.52 C ATOM 1457 OE1 GLU A 184 -7.851 6.430 -18.284 1.00 21.60 O ATOM 1458 OE2 GLU A 184 -6.357 8.063 -18.575 1.00 22.84 O ATOM 1459 H GLU A 184 -3.683 4.054 -17.184 1.00 0.00 H ATOM 1460 N SER A 185 -6.261 3.395 -13.642 1.00 8.20 N ATOM 1461 CA SER A 185 -7.003 2.441 -12.840 1.00 6.96 C ATOM 1462 C SER A 185 -8.477 2.847 -12.666 1.00 7.50 C ATOM 1463 O SER A 185 -9.098 2.475 -11.690 1.00 8.83 O ATOM 1464 CB SER A 185 -6.317 2.403 -11.465 1.00 7.76 C ATOM 1465 OG SER A 185 -6.321 3.728 -10.957 1.00 6.56 O ATOM 1466 HG SER A 185 -5.885 3.741 -10.068 1.00 0.00 H ATOM 1467 H SER A 185 -6.096 4.343 -13.247 1.00 0.00 H ATOM 1468 N ASN A 186 -9.037 3.651 -13.576 1.00 9.24 N ATOM 1469 CA ASN A 186 -10.466 4.079 -13.472 1.00 9.29 C ATOM 1470 C ASN A 186 -11.399 2.929 -13.832 1.00 11.83 C ATOM 1471 CB ASN A 186 -10.735 5.341 -14.318 1.00 10.78 C ATOM 1472 CG ASN A 186 -12.126 6.009 -14.038 1.00 11.78 C ATOM 1473 OD1 ASN A 186 -12.596 6.839 -14.855 1.00 16.98 O ATOM 1474 ND2 ASN A 186 -12.781 5.625 -12.958 1.00 10.84 N ATOM 1475 HD22 ASN A 186 -12.353 4.935 -12.308 1.00 0.00 H ATOM 1476 HD21 ASN A 186 -13.725 6.013 -12.757 1.00 0.00 H ATOM 1477 H ASN A 186 -8.464 3.987 -14.376 1.00 0.00 H ATOM 1478 N ARG A 187 -11.665 2.171 -12.779 1.00 11.52 N ATOM 1479 CA ARG A 187 -12.563 1.064 -12.814 1.00 13.80 C ATOM 1480 C ARG A 187 -12.032 -0.172 -13.572 1.00 13.89 C ATOM 1481 O ARG A 187 -12.054 -1.254 -13.025 1.00 18.02 O ATOM 1482 CB ARG A 187 -13.965 1.473 -13.156 1.00 15.51 C ATOM 1483 CG ARG A 187 -14.612 2.113 -11.959 1.00 17.30 C ATOM 1484 CD ARG A 187 -16.111 2.278 -12.185 1.00 20.57 C ATOM 1485 NE ARG A 187 -16.839 1.191 -11.545 1.00 23.44 N ATOM 1486 CZ ARG A 187 -17.053 1.070 -10.233 1.00 23.39 C ATOM 1487 NH1 ARG A 187 -17.707 0.005 -9.765 1.00 25.24 N ATOM 1488 NH2 ARG A 187 -16.589 1.975 -9.383 1.00 24.72 N ATOM 1489 HE ARG A 187 -17.224 0.447 -12.161 1.00 0.00 H ATOM 1490 HH12 ARG A 187 -17.876 -0.094 -8.744 1.00 0.00 H ATOM 1491 HH11 ARG A 187 -18.047 -0.726 -10.422 1.00 0.00 H ATOM 1492 HH22 ARG A 187 -16.763 1.868 -8.363 1.00 0.00 H ATOM 1493 HH21 ARG A 187 -16.051 2.792 -9.736 1.00 0.00 H ATOM 1494 H ARG A 187 -11.194 2.395 -11.879 1.00 0.00 H ATOM 1495 N ARG A 188 -11.424 0.030 -14.739 1.00 12.31 N ATOM 1496 CA ARG A 188 -10.556 -0.936 -15.422 1.00 9.89 C ATOM 1497 C ARG A 188 -9.172 -1.013 -14.709 1.00 9.27 C ATOM 1498 O ARG A 188 -8.571 0.043 -14.375 1.00 7.32 O ATOM 1499 CB ARG A 188 -10.392 -0.437 -16.864 1.00 9.35 C ATOM 1500 CG ARG A 188 -11.635 -0.587 -17.720 1.00 12.68 C ATOM 1501 CD ARG A 188 -11.495 0.049 -19.089 1.00 13.58 C ATOM 1502 NE ARG A 188 -12.735 -0.179 -19.851 1.00 15.97 N ATOM 1503 CZ ARG A 188 -13.711 0.707 -19.968 1.00 19.04 C ATOM 1504 NH1 ARG A 188 -13.583 1.907 -19.394 1.00 19.89 N ATOM 1505 NH2 ARG A 188 -14.799 0.391 -20.687 1.00 20.56 N ATOM 1506 HE ARG A 188 -12.851 -1.096 -20.328 1.00 0.00 H ATOM 1507 HH12 ARG A 188 -14.345 2.609 -19.481 1.00 0.00 H ATOM 1508 HH11 ARG A 188 -12.721 2.139 -18.860 1.00 0.00 H ATOM 1509 HH22 ARG A 188 -15.574 1.078 -20.787 1.00 0.00 H ATOM 1510 HH21 ARG A 188 -14.868 -0.541 -21.144 1.00 0.00 H ATOM 1511 H ARG A 188 -11.577 0.947 -15.205 1.00 0.00 H ATOM 1512 N ASP A 189 -8.663 -2.220 -14.437 1.00 6.33 N ATOM 1513 CA ASP A 189 -7.411 -2.324 -13.672 1.00 7.21 C ATOM 1514 C ASP A 189 -6.957 -3.769 -13.602 1.00 6.79 C ATOM 1515 O ASP A 189 -7.749 -4.687 -13.800 1.00 7.74 O ATOM 1516 CB ASP A 189 -7.657 -1.841 -12.214 1.00 7.29 C ATOM 1517 CG ASP A 189 -6.369 -1.368 -11.489 1.00 8.88 C ATOM 1518 OD1 ASP A 189 -5.261 -1.311 -12.102 1.00 5.65 O ATOM 1519 OD2 ASP A 189 -6.526 -1.009 -10.289 1.00 9.81 O ATOM 1520 H ASP A 189 -9.149 -3.079 -14.764 1.00 0.00 H ATOM 1521 N SER A 190 -5.666 -3.918 -13.333 1.00 8.44 N ATOM 1522 CA SER A 190 -5.043 -5.101 -12.853 1.00 7.88 C ATOM 1523 C SER A 190 -5.369 -5.173 -11.341 1.00 7.76 C ATOM 1524 O SER A 190 -5.629 -4.150 -10.673 1.00 6.05 O ATOM 1525 CB SER A 190 -3.537 -4.965 -13.140 1.00 11.02 C ATOM 1526 OG SER A 190 -2.983 -3.811 -12.483 1.00 9.30 O ATOM 1527 HG SER A 190 -3.441 -2.996 -12.808 1.00 0.00 H ATOM 1528 H SER A 190 -5.053 -3.092 -13.488 1.00 0.00 H ATOM 1529 N CYS A 191 -5.350 -6.388 -10.801 1.00 7.54 N ATOM 1530 CA CYS A 191 -5.645 -6.567 -9.375 1.00 6.83 C ATOM 1531 C CYS A 191 -5.024 -7.883 -8.876 1.00 6.71 C ATOM 1532 O CYS A 191 -4.123 -8.452 -9.537 1.00 5.54 O ATOM 1533 CB CYS A 191 -7.156 -6.475 -9.138 1.00 7.54 C ATOM 1534 SG CYS A 191 -7.629 -6.148 -7.373 1.00 10.79 S ATOM 1535 H CYS A 191 -5.125 -7.214 -11.391 1.00 0.00 H ATOM 1536 N LYS A 192 -5.453 -8.338 -7.694 1.00 5.54 N ATOM 1537 CA LYS A 192 -4.983 -9.590 -7.070 1.00 5.82 C ATOM 1538 C LYS A 192 -4.993 -10.765 -7.981 1.00 4.58 C ATOM 1539 O LYS A 192 -6.033 -11.043 -8.651 1.00 5.15 O ATOM 1540 CB LYS A 192 -5.931 -9.950 -5.896 1.00 5.86 C ATOM 1541 CG LYS A 192 -5.373 -10.903 -4.936 1.00 5.39 C ATOM 1542 CD LYS A 192 -6.401 -11.425 -3.913 1.00 7.25 C ATOM 1543 CE LYS A 192 -5.716 -12.346 -2.910 1.00 13.69 C ATOM 1544 NZ LYS A 192 -6.159 -11.987 -1.512 1.00 18.75 N ATOM 1545 HZ1 LYS A 192 -5.900 -11.000 -1.310 1.00 0.00 H ATOM 1546 HZ2 LYS A 192 -7.190 -12.098 -1.437 1.00 0.00 H ATOM 1547 HZ3 LYS A 192 -5.691 -12.616 -0.829 1.00 0.00 H ATOM 1548 H LYS A 192 -6.162 -7.774 -7.183 1.00 0.00 H ATOM 1549 N GLY A 193 -3.847 -11.461 -8.068 1.00 3.24 N ATOM 1550 CA GLY A 193 -3.745 -12.645 -8.961 1.00 3.18 C ATOM 1551 C GLY A 193 -3.390 -12.248 -10.396 1.00 2.00 C ATOM 1552 O GLY A 193 -2.951 -13.030 -11.107 1.00 2.48 O ATOM 1553 H GLY A 193 -3.023 -11.168 -7.505 1.00 0.00 H ATOM 1554 N ASP A 194 -3.436 -10.968 -10.761 1.00 2.67 N ATOM 1555 CA ASP A 194 -2.755 -10.514 -11.994 1.00 4.42 C ATOM 1556 C ASP A 194 -1.268 -10.200 -11.864 1.00 5.68 C ATOM 1557 O ASP A 194 -0.610 -9.986 -12.918 1.00 5.78 O ATOM 1558 CB ASP A 194 -3.447 -9.257 -12.514 1.00 5.01 C ATOM 1559 CG ASP A 194 -4.926 -9.527 -12.791 1.00 3.72 C ATOM 1560 OD1 ASP A 194 -5.252 -10.602 -13.372 1.00 6.16 O ATOM 1561 OD2 ASP A 194 -5.693 -8.617 -12.458 1.00 6.31 O ATOM 1562 H ASP A 194 -3.954 -10.283 -10.175 1.00 0.00 H ATOM 1563 N SER A 195 -0.767 -10.140 -10.637 1.00 5.33 N ATOM 1564 CA SER A 195 0.685 -9.843 -10.329 1.00 7.46 C ATOM 1565 C SER A 195 1.517 -10.742 -11.181 1.00 6.49 C ATOM 1566 O SER A 195 1.182 -11.939 -11.301 1.00 7.98 O ATOM 1567 CB SER A 195 1.166 -10.332 -8.947 1.00 6.70 C ATOM 1568 OG SER A 195 0.163 -10.495 -8.038 1.00 12.64 O ATOM 1569 HG SER A 195 -0.483 -11.164 -8.377 1.00 0.00 H ATOM 1570 H SER A 195 -1.411 -10.307 -9.838 1.00 0.00 H ATOM 1571 N GLY A 196 2.651 -10.210 -11.660 1.00 6.15 N ATOM 1572 CA GLY A 196 3.613 -10.992 -12.435 1.00 6.96 C ATOM 1573 C GLY A 196 3.213 -11.109 -13.919 1.00 7.79 C ATOM 1574 O GLY A 196 3.967 -11.653 -14.702 1.00 9.07 O ATOM 1575 H GLY A 196 2.853 -9.207 -11.474 1.00 0.00 H ATOM 1576 N GLY A 197 1.989 -10.692 -14.270 1.00 5.78 N ATOM 1577 CA GLY A 197 1.524 -10.720 -15.634 1.00 5.82 C ATOM 1578 C GLY A 197 2.026 -9.567 -16.481 1.00 5.69 C ATOM 1579 O GLY A 197 2.667 -8.581 -15.980 1.00 5.71 O ATOM 1580 H GLY A 197 1.351 -10.335 -13.531 1.00 0.00 H ATOM 1581 N PRO A 198 1.734 -9.668 -17.766 1.00 5.19 N ATOM 1582 CA PRO A 198 2.279 -8.766 -18.736 1.00 6.60 C ATOM 1583 C PRO A 198 1.496 -7.466 -18.918 1.00 4.69 C ATOM 1584 O PRO A 198 0.261 -7.443 -18.844 1.00 7.74 O ATOM 1585 CB PRO A 198 2.202 -9.610 -20.005 1.00 4.64 C ATOM 1586 CG PRO A 198 1.171 -10.532 -19.791 1.00 5.47 C ATOM 1587 CD PRO A 198 0.904 -10.706 -18.395 1.00 7.53 C ATOM 1588 N LEU A 199 2.218 -6.404 -19.133 1.00 6.85 N ATOM 1589 CA LEU A 199 1.700 -5.191 -19.680 1.00 5.56 C ATOM 1590 C LEU A 199 2.441 -4.961 -21.034 1.00 5.37 C ATOM 1591 O LEU A 199 3.664 -4.728 -21.084 1.00 5.46 O ATOM 1592 CB LEU A 199 1.770 -4.027 -18.682 1.00 7.79 C ATOM 1593 CG LEU A 199 1.351 -2.697 -19.322 1.00 6.06 C ATOM 1594 CD1 LEU A 199 0.733 -1.665 -18.413 1.00 5.03 C ATOM 1595 CD2 LEU A 199 2.534 -2.156 -20.020 1.00 6.44 C ATOM 1596 H LEU A 199 3.229 -6.441 -18.893 1.00 0.00 H ATOM 1597 N VAL A 200 1.664 -5.072 -22.116 1.00 6.49 N ATOM 1598 CA VAL A 200 2.230 -5.240 -23.451 1.00 6.36 C ATOM 1599 C VAL A 200 1.832 -3.998 -24.275 1.00 8.37 C ATOM 1600 O VAL A 200 0.649 -3.654 -24.339 1.00 11.01 O ATOM 1601 CB VAL A 200 1.711 -6.593 -24.101 1.00 7.32 C ATOM 1602 CG1 VAL A 200 2.236 -6.809 -25.476 1.00 7.70 C ATOM 1603 CG2 VAL A 200 2.005 -7.766 -23.215 1.00 9.66 C ATOM 1604 H VAL A 200 0.631 -5.038 -22.004 1.00 0.00 H ATOM 1605 N CYS A 201 2.801 -3.359 -24.916 1.00 8.12 N ATOM 1606 CA CYS A 201 2.559 -2.189 -25.763 1.00 9.48 C ATOM 1607 C CYS A 201 3.148 -2.428 -27.161 1.00 10.61 C ATOM 1608 O CYS A 201 4.270 -2.883 -27.277 1.00 9.87 O ATOM 1609 CB CYS A 201 3.177 -0.938 -25.137 1.00 9.68 C ATOM 1610 SG CYS A 201 2.830 -0.684 -23.405 1.00 16.67 S ATOM 1611 H CYS A 201 3.777 -3.704 -24.813 1.00 0.00 H ATOM 1612 N GLY A 202 2.344 -2.136 -28.218 1.00 12.54 N ATOM 1613 CA GLY A 202 2.755 -2.357 -29.620 1.00 11.84 C ATOM 1614 C GLY A 202 3.414 -3.714 -29.791 1.00 12.60 C ATOM 1615 O GLY A 202 4.549 -3.780 -30.317 1.00 14.59 O ATOM 1616 H GLY A 202 1.400 -1.741 -28.032 1.00 0.00 H ATOM 1617 N GLY A 207 2.836 -4.842 -29.146 1.00 11.19 N ATOM 1618 CA GLY A 207 3.375 -6.184 -29.205 1.00 10.77 C ATOM 1619 C GLY A 207 4.658 -6.514 -28.453 1.00 8.86 C ATOM 1620 O GLY A 207 5.271 -7.536 -28.713 1.00 11.80 O ATOM 1621 H GLY A 207 1.967 -4.692 -28.594 1.00 0.00 H ATOM 1622 N VAL A 208 5.097 -5.625 -27.555 1.00 9.23 N ATOM 1623 CA VAL A 208 6.355 -5.870 -26.844 1.00 8.20 C ATOM 1624 C VAL A 208 6.067 -5.772 -25.328 1.00 7.58 C ATOM 1625 O VAL A 208 5.236 -4.991 -24.929 1.00 6.81 O ATOM 1626 CB VAL A 208 7.448 -4.921 -27.251 1.00 7.48 C ATOM 1627 CG1 VAL A 208 8.763 -5.171 -26.401 1.00 8.10 C ATOM 1628 CG2 VAL A 208 7.760 -4.988 -28.741 1.00 3.99 C ATOM 1629 H VAL A 208 4.548 -4.763 -27.362 1.00 0.00 H ATOM 1630 N LEU A 209 6.696 -6.623 -24.529 1.00 6.39 N ATOM 1631 CA LEU A 209 6.543 -6.514 -23.103 1.00 3.91 C ATOM 1632 C LEU A 209 7.217 -5.278 -22.537 1.00 4.23 C ATOM 1633 O LEU A 209 8.479 -5.084 -22.684 1.00 2.16 O ATOM 1634 CB LEU A 209 7.038 -7.775 -22.451 1.00 3.82 C ATOM 1635 CG LEU A 209 6.865 -7.775 -20.911 1.00 2.21 C ATOM 1636 CD1 LEU A 209 5.451 -8.116 -20.615 1.00 3.40 C ATOM 1637 CD2 LEU A 209 7.766 -8.879 -20.323 1.00 10.29 C ATOM 1638 H LEU A 209 7.299 -7.368 -24.933 1.00 0.00 H ATOM 1639 N GLU A 210 6.394 -4.443 -21.892 1.00 3.81 N ATOM 1640 CA GLU A 210 6.874 -3.172 -21.300 1.00 5.15 C ATOM 1641 C GLU A 210 6.870 -3.170 -19.769 1.00 7.26 C ATOM 1642 O GLU A 210 7.739 -2.531 -19.113 1.00 6.94 O ATOM 1643 CB GLU A 210 6.106 -1.968 -21.827 1.00 7.83 C ATOM 1644 CG GLU A 210 6.355 -1.641 -23.272 1.00 8.90 C ATOM 1645 CD GLU A 210 7.667 -0.882 -23.583 1.00 13.37 C ATOM 1646 OE1 GLU A 210 8.458 -0.469 -22.674 1.00 11.82 O ATOM 1647 OE2 GLU A 210 7.913 -0.746 -24.811 1.00 13.79 O ATOM 1648 H GLU A 210 5.388 -4.693 -21.804 1.00 0.00 H ATOM 1649 N GLY A 211 5.878 -3.858 -19.200 1.00 7.37 N ATOM 1650 CA GLY A 211 5.659 -3.839 -17.767 1.00 5.20 C ATOM 1651 C GLY A 211 5.226 -5.226 -17.236 1.00 6.04 C ATOM 1652 O GLY A 211 4.692 -6.088 -17.996 1.00 7.45 O ATOM 1653 H GLY A 211 5.245 -4.423 -19.801 1.00 0.00 H ATOM 1654 N VAL A 212 5.533 -5.475 -15.968 1.00 5.68 N ATOM 1655 CA VAL A 212 5.095 -6.682 -15.230 1.00 4.31 C ATOM 1656 C VAL A 212 4.301 -6.155 -14.018 1.00 4.16 C ATOM 1657 O VAL A 212 4.755 -5.231 -13.339 1.00 2.89 O ATOM 1658 CB VAL A 212 6.293 -7.523 -14.754 1.00 3.49 C ATOM 1659 CG1 VAL A 212 5.903 -8.617 -13.774 1.00 4.10 C ATOM 1660 CG2 VAL A 212 7.150 -8.112 -15.981 1.00 5.69 C ATOM 1661 H VAL A 212 6.117 -4.779 -15.462 1.00 0.00 H ATOM 1662 N VAL A 213 3.099 -6.662 -13.853 1.00 5.52 N ATOM 1663 CA VAL A 213 2.164 -6.235 -12.759 1.00 5.75 C ATOM 1664 C VAL A 213 2.882 -6.443 -11.429 1.00 4.22 C ATOM 1665 O VAL A 213 3.448 -7.507 -11.194 1.00 2.96 O ATOM 1666 CB VAL A 213 0.860 -6.988 -12.807 1.00 6.87 C ATOM 1667 CG1 VAL A 213 -0.145 -6.500 -11.648 1.00 6.11 C ATOM 1668 CG2 VAL A 213 0.176 -6.674 -14.170 1.00 5.50 C ATOM 1669 H VAL A 213 2.779 -7.397 -14.515 1.00 0.00 H ATOM 1670 N THR A 214 2.916 -5.418 -10.586 1.00 3.40 N ATOM 1671 CA THR A 214 3.570 -5.541 -9.291 1.00 5.28 C ATOM 1672 C THR A 214 2.722 -6.426 -8.370 1.00 3.97 C ATOM 1673 O THR A 214 1.558 -6.752 -8.694 1.00 2.97 O ATOM 1674 CB THR A 214 3.763 -4.147 -8.618 1.00 4.94 C ATOM 1675 OG1 THR A 214 2.496 -3.471 -8.618 1.00 5.16 O ATOM 1676 CG2 THR A 214 4.838 -3.393 -9.372 1.00 5.27 C ATOM 1677 HG1 THR A 214 2.183 -3.359 -9.551 1.00 0.00 H ATOM 1678 H THR A 214 2.471 -4.517 -10.854 1.00 0.00 H ATOM 1679 N SER A 215 3.327 -6.881 -7.260 1.00 6.09 N ATOM 1680 CA SER A 215 2.696 -7.986 -6.548 1.00 7.76 C ATOM 1681 C SER A 215 2.300 -7.567 -5.133 1.00 7.53 C ATOM 1682 O SER A 215 1.897 -8.404 -4.305 1.00 8.19 O ATOM 1683 CB SER A 215 3.561 -9.250 -6.563 1.00 7.74 C ATOM 1684 OG SER A 215 4.796 -9.086 -5.917 1.00 8.07 O ATOM 1685 HG SER A 215 5.309 -8.368 -6.366 1.00 0.00 H ATOM 1686 H SER A 215 4.215 -6.459 -6.920 1.00 0.00 H ATOM 1687 N GLY A 216 2.458 -6.285 -4.868 1.00 8.10 N ATOM 1688 CA GLY A 216 2.081 -5.743 -3.580 1.00 8.20 C ATOM 1689 C GLY A 216 0.588 -5.493 -3.527 1.00 8.40 C ATOM 1690 O GLY A 216 -0.062 -5.214 -4.579 1.00 8.21 O ATOM 1691 H GLY A 216 2.858 -5.656 -5.593 1.00 0.00 H ATOM 1692 N SER A 217 0.020 -5.640 -2.322 1.00 7.23 N ATOM 1693 CA SER A 217 -1.379 -5.238 -2.071 1.00 8.54 C ATOM 1694 C SER A 217 -1.623 -3.801 -2.498 1.00 7.73 C ATOM 1695 O SER A 217 -0.766 -2.897 -2.276 1.00 8.08 O ATOM 1696 CB SER A 217 -1.694 -5.267 -0.535 1.00 8.20 C ATOM 1697 OG SER A 217 -1.466 -6.547 -0.064 1.00 15.91 O ATOM 1698 HG SER A 217 -1.661 -6.580 0.906 1.00 0.00 H ATOM 1699 H SER A 217 0.578 -6.047 -1.545 1.00 0.00 H ATOM 1700 N ARG A 218 -2.810 -3.556 -3.073 1.00 6.79 N ATOM 1701 CA ARG A 218 -3.239 -2.200 -3.397 1.00 7.32 C ATOM 1702 C ARG A 218 -4.758 -2.181 -3.648 1.00 7.33 C ATOM 1703 O ARG A 218 -5.314 -3.210 -3.994 1.00 7.15 O ATOM 1704 CB ARG A 218 -2.477 -1.634 -4.605 1.00 6.01 C ATOM 1705 CG ARG A 218 -2.396 -2.631 -5.743 1.00 9.52 C ATOM 1706 CD ARG A 218 -1.868 -2.051 -7.094 1.00 8.17 C ATOM 1707 NE ARG A 218 -2.649 -0.934 -7.559 1.00 5.20 N ATOM 1708 CZ ARG A 218 -3.676 -1.028 -8.405 1.00 5.57 C ATOM 1709 NH1 ARG A 218 -4.029 -2.224 -8.842 1.00 5.65 N ATOM 1710 NH2 ARG A 218 -4.349 0.073 -8.823 1.00 4.39 N ATOM 1711 HE ARG A 218 -2.394 0.012 -7.211 1.00 0.00 H ATOM 1712 HH12 ARG A 218 -4.827 -2.322 -9.502 1.00 0.00 H ATOM 1713 HH11 ARG A 218 -3.509 -3.067 -8.526 1.00 0.00 H ATOM 1714 HH22 ARG A 218 -5.147 -0.025 -9.483 1.00 0.00 H ATOM 1715 HH21 ARG A 218 -4.067 1.015 -8.483 1.00 0.00 H ATOM 1716 H ARG A 218 -3.440 -4.353 -3.293 1.00 0.00 H ATOM 1717 N VAL A 219 -5.384 -1.032 -3.432 1.00 7.43 N ATOM 1718 CA VAL A 219 -6.762 -0.813 -3.799 1.00 8.85 C ATOM 1719 C VAL A 219 -6.746 -0.833 -5.357 1.00 8.03 C ATOM 1720 O VAL A 219 -5.818 -0.283 -6.001 1.00 8.51 O ATOM 1721 CB VAL A 219 -7.288 0.570 -3.229 1.00 10.70 C ATOM 1722 CG1 VAL A 219 -8.680 0.873 -3.678 1.00 8.89 C ATOM 1723 CG2 VAL A 219 -7.271 0.600 -1.640 1.00 9.79 C ATOM 1724 H VAL A 219 -4.860 -0.256 -2.979 1.00 0.00 H ATOM 1725 N CYS A 220 -7.741 -1.495 -5.918 1.00 8.36 N ATOM 1726 CA CYS A 220 -7.866 -1.702 -7.371 1.00 8.80 C ATOM 1727 C CYS A 220 -9.116 -1.007 -7.866 1.00 7.44 C ATOM 1728 O CYS A 220 -10.137 -0.900 -7.135 1.00 6.79 O ATOM 1729 CB CYS A 220 -8.078 -3.192 -7.657 1.00 8.69 C ATOM 1730 SG CYS A 220 -6.846 -4.275 -7.042 1.00 11.08 S ATOM 1731 H CYS A 220 -8.477 -1.892 -5.300 1.00 0.00 H ATOM 1732 N GLY A 221 -9.083 -0.600 -9.137 1.00 7.23 N ATOM 1733 CA GLY A 221 -10.157 0.159 -9.749 1.00 5.35 C ATOM 1734 C GLY A 221 -10.465 1.574 -9.258 1.00 7.37 C ATOM 1735 O GLY A 221 -11.492 2.183 -9.696 1.00 7.62 O ATOM 1736 H GLY A 221 -8.251 -0.838 -9.714 1.00 0.00 H ATOM 1737 N ASN A 222 -9.624 2.098 -8.364 1.00 7.45 N ATOM 1738 CA ASN A 222 -9.713 3.530 -7.948 1.00 9.22 C ATOM 1739 C ASN A 222 -8.793 4.438 -8.797 1.00 9.74 C ATOM 1740 O ASN A 222 -7.551 4.347 -8.733 1.00 9.66 O ATOM 1741 CB ASN A 222 -9.456 3.708 -6.458 1.00 8.93 C ATOM 1742 CG ASN A 222 -9.533 5.201 -5.987 1.00 10.25 C ATOM 1743 OD1 ASN A 222 -9.571 6.158 -6.790 1.00 11.32 O ATOM 1744 ND2 ASN A 222 -9.587 5.378 -4.672 1.00 17.25 N ATOM 1745 HD22 ASN A 222 -9.553 4.557 -4.035 1.00 0.00 H ATOM 1746 HD21 ASN A 222 -9.664 6.338 -4.279 1.00 0.00 H ATOM 1747 H ASN A 222 -8.888 1.494 -7.946 1.00 0.00 H ATOM 1748 N ARG A 223 -9.424 5.326 -9.533 1.00 10.27 N ATOM 1749 CA ARG A 223 -8.728 6.284 -10.416 1.00 11.02 C ATOM 1750 C ARG A 223 -7.573 7.086 -9.844 1.00 11.13 C ATOM 1751 O ARG A 223 -6.668 7.448 -10.596 1.00 9.37 O ATOM 1752 CB ARG A 223 -9.692 7.197 -11.165 1.00 11.61 C ATOM 1753 CG ARG A 223 -10.607 7.978 -10.358 1.00 17.32 C ATOM 1754 CD ARG A 223 -11.233 9.093 -11.220 1.00 19.33 C ATOM 1755 NE ARG A 223 -10.871 10.369 -10.642 1.00 26.32 N ATOM 1756 CZ ARG A 223 -11.666 11.138 -9.911 1.00 30.29 C ATOM 1757 NH1 ARG A 223 -12.942 10.797 -9.673 1.00 30.83 N ATOM 1758 NH2 ARG A 223 -11.176 12.282 -9.441 1.00 33.13 N ATOM 1759 HE ARG A 223 -9.905 10.712 -10.815 1.00 0.00 H ATOM 1760 HH12 ARG A 223 -13.547 11.416 -9.097 1.00 0.00 H ATOM 1761 HH11 ARG A 223 -13.326 9.914 -10.065 1.00 0.00 H ATOM 1762 HH22 ARG A 223 -11.775 12.907 -8.864 1.00 0.00 H ATOM 1763 HH21 ARG A 223 -10.194 12.552 -9.650 1.00 0.00 H ATOM 1764 H ARG A 223 -10.463 5.355 -9.492 1.00 0.00 H ATOM 1765 N LYS A 223A -7.659 7.417 -8.545 1.00 9.70 N ATOM 1766 CA LYS A 223A -6.666 8.212 -7.870 1.00 11.05 C ATOM 1767 C LYS A 223A -5.489 7.325 -7.403 1.00 10.87 C ATOM 1768 O LYS A 223A -4.562 7.803 -6.734 1.00 11.81 O ATOM 1769 CB LYS A 223A -7.277 8.837 -6.607 1.00 10.67 C ATOM 1770 CG LYS A 223A -8.656 9.600 -6.745 1.00 13.50 C ATOM 1771 CD LYS A 223A -8.489 10.987 -7.377 1.00 13.05 C ATOM 1772 CE LYS A 223A -7.855 12.084 -6.421 1.00 13.50 C ATOM 1773 NZ LYS A 223A -6.381 12.211 -6.575 1.00 17.79 N ATOM 1774 HZ1 LYS A 223A -5.931 11.300 -6.353 1.00 0.00 H ATOM 1775 HZ2 LYS A 223A -6.158 12.479 -7.555 1.00 0.00 H ATOM 1776 HZ3 LYS A 223A -6.027 12.942 -5.925 1.00 0.00 H ATOM 1777 H LYS A 223A -8.481 7.084 -8.002 1.00 0.00 H ATOM 1778 N LYS A 224 -5.614 6.013 -7.618 1.00 10.10 N ATOM 1779 CA LYS A 224 -4.610 5.071 -7.159 1.00 10.17 C ATOM 1780 C LYS A 224 -4.251 4.184 -8.362 1.00 10.12 C ATOM 1781 O LYS A 224 -4.698 3.048 -8.448 1.00 8.67 O ATOM 1782 CB LYS A 224 -5.095 4.298 -5.921 1.00 10.69 C ATOM 1783 CG LYS A 224 -5.355 5.302 -4.675 1.00 11.72 C ATOM 1784 CD LYS A 224 -5.819 4.534 -3.423 1.00 13.82 C ATOM 1785 CE LYS A 224 -6.173 5.453 -2.238 1.00 16.14 C ATOM 1786 NZ LYS A 224 -7.217 4.702 -1.358 1.00 17.92 N ATOM 1787 HZ1 LYS A 224 -8.064 4.498 -1.926 1.00 0.00 H ATOM 1788 HZ2 LYS A 224 -6.804 3.811 -1.017 1.00 0.00 H ATOM 1789 HZ3 LYS A 224 -7.477 5.298 -0.547 1.00 0.00 H ATOM 1790 H LYS A 224 -6.449 5.658 -8.126 1.00 0.00 H ATOM 1791 N PRO A 225 -3.411 4.715 -9.294 1.00 8.97 N ATOM 1792 CA PRO A 225 -3.087 3.943 -10.536 1.00 9.59 C ATOM 1793 C PRO A 225 -2.512 2.558 -10.286 1.00 7.89 C ATOM 1794 O PRO A 225 -1.916 2.307 -9.259 1.00 9.38 O ATOM 1795 CB PRO A 225 -2.001 4.799 -11.248 1.00 8.50 C ATOM 1796 CG PRO A 225 -1.858 6.003 -10.489 1.00 11.21 C ATOM 1797 CD PRO A 225 -2.731 6.004 -9.247 1.00 9.72 C ATOM 1798 N GLY A 226 -2.718 1.678 -11.261 1.00 6.86 N ATOM 1799 CA GLY A 226 -1.971 0.469 -11.428 1.00 7.09 C ATOM 1800 C GLY A 226 -0.471 0.665 -11.498 1.00 4.72 C ATOM 1801 O GLY A 226 0.038 1.591 -12.134 1.00 6.97 O ATOM 1802 H GLY A 226 -3.472 1.882 -11.948 1.00 0.00 H ATOM 1803 N ILE A 227 0.265 -0.209 -10.839 1.00 4.77 N ATOM 1804 CA ILE A 227 1.715 -0.069 -10.913 1.00 6.60 C ATOM 1805 C ILE A 227 2.320 -1.269 -11.577 1.00 6.69 C ATOM 1806 O ILE A 227 1.988 -2.428 -11.267 1.00 8.01 O ATOM 1807 CB ILE A 227 2.363 0.125 -9.520 1.00 6.05 C ATOM 1808 CG1 ILE A 227 1.565 1.132 -8.698 1.00 8.78 C ATOM 1809 CG2 ILE A 227 3.845 0.504 -9.650 1.00 9.31 C ATOM 1810 CD1 ILE A 227 1.999 1.136 -7.228 1.00 12.07 C ATOM 1811 H ILE A 227 -0.174 -0.972 -10.285 1.00 0.00 H ATOM 1812 N TYR A 228 3.283 -0.976 -12.436 1.00 6.78 N ATOM 1813 CA TYR A 228 3.920 -2.027 -13.228 1.00 6.35 C ATOM 1814 C TYR A 228 5.427 -1.804 -13.221 1.00 6.92 C ATOM 1815 O TYR A 228 5.854 -0.649 -13.387 1.00 6.68 O ATOM 1816 CB TYR A 228 3.368 -1.889 -14.650 1.00 6.40 C ATOM 1817 CG TYR A 228 1.861 -1.991 -14.692 1.00 7.04 C ATOM 1818 CD1 TYR A 228 1.064 -0.850 -14.501 1.00 8.81 C ATOM 1819 CD2 TYR A 228 1.227 -3.218 -14.910 1.00 6.48 C ATOM 1820 CE1 TYR A 228 -0.314 -0.939 -14.475 1.00 10.27 C ATOM 1821 CE2 TYR A 228 -0.182 -3.303 -14.965 1.00 6.00 C ATOM 1822 CZ TYR A 228 -0.929 -2.141 -14.721 1.00 9.29 C ATOM 1823 OH TYR A 228 -2.274 -2.130 -14.683 1.00 6.69 O ATOM 1824 HH TYR A 228 -2.588 -2.739 -13.968 1.00 0.00 H ATOM 1825 H TYR A 228 3.590 0.011 -12.549 1.00 0.00 H ATOM 1826 N THR A 229 6.206 -2.882 -13.050 1.00 5.90 N ATOM 1827 CA THR A 229 7.734 -2.839 -13.190 1.00 6.19 C ATOM 1828 C THR A 229 8.200 -2.706 -14.649 1.00 5.96 C ATOM 1829 O THR A 229 7.711 -3.463 -15.515 1.00 5.95 O ATOM 1830 CB THR A 229 8.353 -4.137 -12.562 1.00 7.98 C ATOM 1831 OG1 THR A 229 7.832 -4.313 -11.222 1.00 8.46 O ATOM 1832 CG2 THR A 229 9.897 -4.078 -12.480 1.00 6.96 C ATOM 1833 HG1 THR A 229 8.074 -3.528 -10.669 1.00 0.00 H ATOM 1834 H THR A 229 5.755 -3.788 -12.812 1.00 0.00 H ATOM 1835 N ARG A 230 9.108 -1.747 -14.951 1.00 5.64 N ATOM 1836 CA ARG A 230 9.463 -1.507 -16.370 1.00 5.92 C ATOM 1837 C ARG A 230 10.581 -2.484 -16.666 1.00 7.00 C ATOM 1838 O ARG A 230 11.683 -2.342 -16.114 1.00 6.73 O ATOM 1839 CB ARG A 230 9.934 -0.071 -16.647 1.00 6.70 C ATOM 1840 CG ARG A 230 9.285 0.999 -15.937 1.00 7.46 C ATOM 1841 CD ARG A 230 9.610 2.411 -16.437 1.00 9.71 C ATOM 1842 NE ARG A 230 10.105 2.527 -17.798 1.00 11.11 N ATOM 1843 CZ ARG A 230 11.409 2.623 -18.069 1.00 9.94 C ATOM 1844 NH1 ARG A 230 12.286 2.548 -17.087 1.00 11.83 N ATOM 1845 NH2 ARG A 230 11.815 2.720 -19.307 1.00 12.95 N ATOM 1846 HE ARG A 230 9.424 2.536 -18.584 1.00 0.00 H ATOM 1847 HH12 ARG A 230 13.303 2.622 -17.291 1.00 0.00 H ATOM 1848 HH11 ARG A 230 11.961 2.415 -16.108 1.00 0.00 H ATOM 1849 HH22 ARG A 230 12.831 2.795 -19.517 1.00 0.00 H ATOM 1850 HH21 ARG A 230 11.122 2.723 -20.083 1.00 0.00 H ATOM 1851 H ARG A 230 9.551 -1.186 -14.196 1.00 0.00 H ATOM 1852 N VAL A 231 10.334 -3.475 -17.525 1.00 6.91 N ATOM 1853 CA VAL A 231 11.368 -4.492 -17.753 1.00 7.09 C ATOM 1854 C VAL A 231 12.626 -3.851 -18.326 1.00 7.01 C ATOM 1855 O VAL A 231 13.722 -4.356 -18.074 1.00 7.50 O ATOM 1856 CB VAL A 231 10.911 -5.712 -18.670 1.00 7.81 C ATOM 1857 CG1 VAL A 231 9.676 -6.371 -18.054 1.00 6.07 C ATOM 1858 CG2 VAL A 231 10.621 -5.189 -20.057 1.00 7.89 C ATOM 1859 H VAL A 231 9.423 -3.526 -18.025 1.00 0.00 H ATOM 1860 N ALA A 232 12.480 -2.722 -19.044 1.00 9.21 N ATOM 1861 CA ALA A 232 13.666 -2.181 -19.725 1.00 10.59 C ATOM 1862 C ALA A 232 14.686 -1.790 -18.688 1.00 10.33 C ATOM 1863 O ALA A 232 15.907 -1.881 -18.950 1.00 9.74 O ATOM 1864 CB ALA A 232 13.327 -1.025 -20.657 1.00 11.16 C ATOM 1865 H ALA A 232 11.557 -2.247 -19.115 1.00 0.00 H ATOM 1866 N SER A 233 14.205 -1.396 -17.494 1.00 8.46 N ATOM 1867 CA SER A 233 15.072 -1.072 -16.361 1.00 10.18 C ATOM 1868 C SER A 233 16.026 -2.149 -15.859 1.00 10.30 C ATOM 1869 O SER A 233 16.947 -1.839 -15.130 1.00 11.13 O ATOM 1870 CB SER A 233 14.232 -0.715 -15.149 1.00 8.93 C ATOM 1871 OG SER A 233 14.024 0.633 -15.137 1.00 14.47 O ATOM 1872 HG SER A 233 14.896 1.100 -15.090 1.00 0.00 H ATOM 1873 H SER A 233 13.175 -1.319 -17.372 1.00 0.00 H ATOM 1874 N TYR A 234 15.681 -3.399 -16.140 1.00 9.48 N ATOM 1875 CA TYR A 234 16.309 -4.592 -15.636 1.00 10.58 C ATOM 1876 C TYR A 234 16.880 -5.403 -16.772 1.00 10.01 C ATOM 1877 O TYR A 234 17.061 -6.630 -16.638 1.00 10.49 O ATOM 1878 CB TYR A 234 15.251 -5.394 -14.829 1.00 10.74 C ATOM 1879 CG TYR A 234 14.827 -4.616 -13.595 1.00 11.49 C ATOM 1880 CD1 TYR A 234 15.605 -4.618 -12.443 1.00 12.60 C ATOM 1881 CD2 TYR A 234 13.671 -3.836 -13.602 1.00 11.95 C ATOM 1882 CE1 TYR A 234 15.229 -3.863 -11.314 1.00 11.07 C ATOM 1883 CE2 TYR A 234 13.262 -3.130 -12.490 1.00 8.73 C ATOM 1884 CZ TYR A 234 14.063 -3.121 -11.355 1.00 10.86 C ATOM 1885 OH TYR A 234 13.646 -2.369 -10.291 1.00 14.96 O ATOM 1886 HH TYR A 234 12.762 -2.694 -9.985 1.00 0.00 H ATOM 1887 H TYR A 234 14.878 -3.530 -16.788 1.00 0.00 H ATOM 1888 N ALA A 235 17.155 -4.722 -17.897 1.00 9.81 N ATOM 1889 CA ALA A 235 17.668 -5.416 -19.086 1.00 9.66 C ATOM 1890 C ALA A 235 18.935 -6.272 -18.857 1.00 10.10 C ATOM 1891 O ALA A 235 18.988 -7.435 -19.246 1.00 14.05 O ATOM 1892 CB ALA A 235 17.819 -4.458 -20.268 1.00 8.04 C ATOM 1893 H ALA A 235 17.003 -3.694 -17.926 1.00 0.00 H ATOM 1894 N ALA A 236 19.942 -5.713 -18.205 1.00 11.75 N ATOM 1895 CA ALA A 236 21.174 -6.437 -17.812 1.00 11.60 C ATOM 1896 C ALA A 236 20.934 -7.597 -16.857 1.00 12.23 C ATOM 1897 O ALA A 236 21.662 -8.610 -16.914 1.00 12.60 O ATOM 1898 CB ALA A 236 22.192 -5.443 -17.198 1.00 13.15 C ATOM 1899 H ALA A 236 19.864 -4.707 -17.954 1.00 0.00 H ATOM 1900 N TRP A 237 19.959 -7.484 -15.953 1.00 11.73 N ATOM 1901 CA TRP A 237 19.759 -8.614 -15.015 1.00 11.29 C ATOM 1902 C TRP A 237 19.053 -9.756 -15.748 1.00 11.38 C ATOM 1903 O TRP A 237 19.420 -10.929 -15.637 1.00 11.17 O ATOM 1904 CB TRP A 237 18.951 -8.161 -13.772 1.00 11.26 C ATOM 1905 CG TRP A 237 18.483 -9.322 -12.947 1.00 12.71 C ATOM 1906 CD1 TRP A 237 19.276 -10.092 -12.128 1.00 8.76 C ATOM 1907 CD2 TRP A 237 17.140 -9.873 -12.836 1.00 10.52 C ATOM 1908 NE1 TRP A 237 18.531 -11.048 -11.533 1.00 13.82 N ATOM 1909 CE2 TRP A 237 17.222 -10.941 -11.930 1.00 11.00 C ATOM 1910 CE3 TRP A 237 15.877 -9.539 -13.401 1.00 12.11 C ATOM 1911 CZ2 TRP A 237 16.107 -11.721 -11.566 1.00 9.58 C ATOM 1912 CZ3 TRP A 237 14.773 -10.293 -13.045 1.00 7.03 C ATOM 1913 CH2 TRP A 237 14.897 -11.392 -12.151 1.00 8.97 C ATOM 1914 HE1 TRP A 237 18.896 -11.762 -10.870 1.00 0.00 H ATOM 1915 H TRP A 237 19.361 -6.634 -15.908 1.00 0.00 H ATOM 1916 N ILE A 238 18.053 -9.410 -16.558 1.00 10.11 N ATOM 1917 CA ILE A 238 17.314 -10.436 -17.348 1.00 10.03 C ATOM 1918 C ILE A 238 18.231 -11.196 -18.312 1.00 9.97 C ATOM 1919 O ILE A 238 18.073 -12.383 -18.502 1.00 12.37 O ATOM 1920 CB ILE A 238 16.149 -9.805 -18.188 1.00 9.31 C ATOM 1921 CG1 ILE A 238 15.088 -9.172 -17.268 1.00 11.52 C ATOM 1922 CG2 ILE A 238 15.499 -10.842 -19.138 1.00 9.96 C ATOM 1923 CD1 ILE A 238 13.993 -8.385 -18.110 1.00 11.20 C ATOM 1924 H ILE A 238 17.784 -8.409 -16.640 1.00 0.00 H ATOM 1925 N ASP A 239 19.132 -10.484 -18.985 1.00 11.59 N ATOM 1926 CA ASP A 239 20.095 -11.109 -19.919 1.00 10.93 C ATOM 1927 C ASP A 239 21.039 -11.987 -19.122 1.00 11.67 C ATOM 1928 O ASP A 239 21.303 -13.122 -19.534 1.00 10.26 O ATOM 1929 CB ASP A 239 20.971 -10.073 -20.611 1.00 12.70 C ATOM 1930 CG ASP A 239 20.224 -9.292 -21.707 1.00 11.50 C ATOM 1931 OD1 ASP A 239 19.163 -9.772 -22.139 1.00 11.34 O ATOM 1932 OD2 ASP A 239 20.756 -8.235 -22.104 1.00 14.42 O ATOM 1933 H ASP A 239 19.160 -9.453 -18.850 1.00 0.00 H ATOM 1934 N SER A 240 21.552 -11.429 -18.018 1.00 13.10 N ATOM 1935 CA SER A 240 22.524 -12.163 -17.147 1.00 14.23 C ATOM 1936 C SER A 240 21.897 -13.535 -16.746 1.00 15.76 C ATOM 1937 O SER A 240 22.373 -14.578 -17.195 1.00 19.41 O ATOM 1938 CB SER A 240 22.985 -11.313 -15.971 1.00 14.41 C ATOM 1939 OG SER A 240 22.005 -11.185 -14.922 1.00 12.06 O ATOM 1940 HG SER A 240 21.187 -10.763 -15.286 1.00 0.00 H ATOM 1941 H SER A 240 21.268 -10.462 -17.759 1.00 0.00 H ATOM 1942 N VAL A 241 20.791 -13.539 -16.005 1.00 16.06 N ATOM 1943 CA VAL A 241 19.994 -14.762 -15.735 1.00 16.55 C ATOM 1944 C VAL A 241 19.689 -15.661 -16.947 1.00 16.75 C ATOM 1945 O VAL A 241 19.734 -16.857 -16.820 1.00 17.86 O ATOM 1946 CB VAL A 241 18.626 -14.483 -15.051 1.00 14.69 C ATOM 1947 CG1 VAL A 241 17.785 -15.815 -14.925 1.00 17.04 C ATOM 1948 CG2 VAL A 241 18.766 -13.759 -13.738 1.00 15.11 C ATOM 1949 H VAL A 241 20.469 -12.639 -15.594 1.00 0.00 H ATOM 1950 N LEU A 242 19.303 -15.101 -18.100 1.00 17.59 N ATOM 1951 CA LEU A 242 19.120 -15.939 -19.295 1.00 18.81 C ATOM 1952 C LEU A 242 20.471 -16.508 -19.783 1.00 19.00 C ATOM 1953 O LEU A 242 20.513 -17.560 -20.438 1.00 21.81 O ATOM 1954 CB LEU A 242 18.343 -15.214 -20.428 1.00 18.10 C ATOM 1955 CG LEU A 242 16.804 -15.273 -20.507 1.00 18.83 C ATOM 1956 CD1 LEU A 242 16.122 -15.260 -19.099 1.00 15.89 C ATOM 1957 CD2 LEU A 242 16.170 -14.137 -21.411 1.00 15.81 C ATOM 1958 H LEU A 242 19.133 -14.076 -18.151 1.00 0.00 H ATOM 1959 N ALA A 243 21.557 -15.810 -19.445 1.00 20.58 N ATOM 1960 CA ALA A 243 22.947 -16.130 -19.875 1.00 20.38 C ATOM 1961 C ALA A 243 23.750 -17.117 -18.955 1.00 21.48 C ATOM 1962 O ALA A 243 24.798 -17.624 -19.363 1.00 21.34 O ATOM 1963 CB ALA A 243 23.753 -14.850 -20.122 1.00 20.30 C ATOM 1964 H ALA A 243 21.423 -14.979 -18.835 1.00 0.00 H ATOM 1965 N SER A 244 23.267 -17.404 -17.751 1.00 22.14 N ATOM 1966 CA SER A 244 24.010 -18.314 -16.827 1.00 22.75 C ATOM 1967 C SER A 244 23.426 -19.720 -16.960 1.00 22.73 C ATOM 1968 O SER A 244 23.984 -20.705 -16.421 1.00 21.70 O ATOM 1969 CB SER A 244 23.917 -17.835 -15.355 1.00 22.26 C ATOM 1970 OG SER A 244 22.640 -18.167 -14.778 1.00 25.60 O ATOM 1971 HG SER A 244 22.610 -17.850 -13.841 1.00 0.00 H ATOM 1972 H SER A 244 22.362 -16.991 -17.448 1.00 0.00 H ATOM 1973 N ALA A 245 22.269 -19.768 -17.642 1.00 22.48 N ATOM 1974 CA ALA A 245 21.514 -20.979 -17.964 1.00 23.74 C ATOM 1975 C ALA A 245 22.266 -22.321 -17.883 1.00 24.42 C ATOM 1976 O ALA A 245 22.325 -23.071 -18.870 1.00 26.05 O ATOM 1977 CB ALA A 245 20.868 -20.822 -19.325 1.00 23.43 C ATOM 1978 H ALA A 245 21.875 -18.863 -17.970 1.00 0.00 H TER 1979 ALA A 245 HETATM 1980 O HOH 1 7.239 11.697 -10.950 1.00 23.03 O HETATM 1981 O HOH 2 -14.167 -19.115 -23.954 1.00 23.84 O HETATM 1982 O HOH 3 10.797 2.417 -6.568 1.00 26.15 O HETATM 1983 O HOH 4 6.750 -23.575 1.977 1.00 29.79 O HETATM 1984 O HOH 5 -6.474 -9.902 -0.512 1.00 21.82 O HETATM 1985 O HOH 6 -13.906 -2.051 -11.750 1.00 13.10 O HETATM 1986 O HOH 7 9.182 -23.629 1.445 1.00 26.31 O HETATM 1987 O HOH 8 9.039 -14.647 -29.525 1.00 18.30 O HETATM 1988 O HOH 9 18.005 -14.142 -6.807 1.00 19.57 O HETATM 1989 O HOH 10 10.324 -13.612 -6.533 1.00 19.90 O HETATM 1990 O HOH 11 20.267 -19.046 -15.879 1.00 25.25 O HETATM 1991 O HOH 12 11.399 -1.482 -9.705 1.00 18.73 O HETATM 1992 O HOH 13 6.344 -6.306 -11.038 1.00 8.73 O HETATM 1993 O HOH 14 19.479 -2.761 -11.455 1.00 20.76 O HETATM 1994 O HOH 15 9.248 -3.326 -9.414 1.00 6.99 O HETATM 1995 O HOH 16 15.895 2.436 -15.856 1.00 18.68 O HETATM 1996 O HOH 17 21.611 -16.805 -12.938 1.00 18.89 O HETATM 1997 O HOH 18 24.044 -24.867 -18.511 1.00 23.56 O HETATM 1998 O HOH 19 14.048 -15.431 -21.968 1.00 18.06 O HETATM 1999 O HOH 20 -10.625 -20.685 -10.508 1.00 20.99 O HETATM 2000 O HOH 21 5.134 -18.063 -32.265 1.00 23.36 O HETATM 2001 O HOH 22 7.819 -30.385 -15.390 1.00 22.73 O HETATM 2002 O HOH 23 -15.532 -16.829 -12.159 1.00 25.98 O HETATM 2003 O HOH 24 -12.377 -8.385 -16.163 1.00 20.83 O HETATM 2004 O HOH 25 -0.728 -12.526 -9.352 1.00 20.27 O HETATM 2005 O HOH 26 1.809 -2.773 -2.292 1.00 18.79 O HETATM 2006 O HOH 27 20.019 -3.356 -17.146 1.00 43.82 O HETATM 2007 O HOH 28 13.518 -11.440 -25.214 1.00 24.42 O HETATM 2008 O HOH 29 13.066 -6.460 -27.490 1.00 20.34 O HETATM 2009 O HOH 30 -3.090 -30.698 -21.892 1.00 19.89 O HETATM 2010 O HOH 31 8.236 -27.120 -9.293 1.00 13.17 O HETATM 2011 O HOH 32 1.375 -30.225 -22.507 1.00 32.55 O HETATM 2012 O HOH 33 8.902 -25.151 -4.988 1.00 27.00 O HETATM 2013 O HOH 34 -11.172 -22.411 -12.569 1.00 15.09 O HETATM 2014 O HOH 35 -2.111 -17.153 -30.922 1.00 23.46 O HETATM 2015 O HOH 36 1.870 -27.108 -25.061 1.00 10.16 O HETATM 2016 O HOH 37 -8.371 2.465 -15.957 1.00 12.91 O HETATM 2017 O HOH 38 5.813 -31.388 -16.899 1.00 15.17 O HETATM 2018 O HOH 39 8.270 1.228 -4.541 1.00 23.27 O HETATM 2019 O HOH 40 14.682 -26.117 -28.277 1.00 19.18 O HETATM 2020 O HOH 41 6.146 -0.485 -26.775 1.00 16.57 O HETATM 2021 O HOH 42 11.618 -1.108 3.419 1.00 14.79 O HETATM 2022 O HOH 43 -6.958 1.455 -7.662 1.00 7.73 O HETATM 2023 O HOH 44 -0.566 -26.524 -10.536 1.00 15.04 O HETATM 2024 O HOH 45 11.458 -12.811 -25.503 1.00 8.30 O HETATM 2025 O HOH 46 -9.205 -23.333 -26.468 1.00 15.19 O HETATM 2026 O HOH 47 13.436 -3.321 -2.237 1.00 20.70 O HETATM 2027 O HOH 48 0.992 -20.035 -22.891 1.00 12.94 O HETATM 2028 O HOH 49 4.237 -25.744 -23.921 1.00 19.59 O HETATM 2029 O HOH 50 7.597 -23.181 -34.369 1.00 18.82 O HETATM 2030 O HOH 51 1.269 10.684 -5.668 1.00 25.23 O HETATM 2031 O HOH 52 -5.578 -14.397 -25.326 1.00 7.52 O HETATM 2032 O HOH 53 -10.768 -14.756 -4.529 1.00 20.69 O HETATM 2033 O HOH 54 9.066 -19.712 -1.632 1.00 17.20 O HETATM 2034 O HOH 55 14.258 -18.934 -26.099 1.00 22.71 O HETATM 2035 O HOH 56 -1.353 -11.530 -15.008 1.00 6.14 O HETATM 2036 O HOH 57 -13.559 8.835 -13.302 1.00 18.63 O HETATM 2037 O HOH 58 18.438 -0.919 -19.039 1.00 18.10 O HETATM 2038 O HOH 59 -2.514 -2.157 -27.066 1.00 19.51 O HETATM 2039 O HOH 60 10.087 1.233 -21.286 1.00 20.37 O HETATM 2040 O HOH 61 10.729 -6.138 -3.654 1.00 6.10 O HETATM 2041 O HOH 62 18.287 0.519 -14.915 1.00 20.99 O HETATM 2042 O HOH 63 17.295 -4.120 -1.580 1.00 18.95 O HETATM 2043 O HOH 64 0.745 -27.594 0.159 1.00 11.73 O HETATM 2044 O HOH 65 23.859 -23.398 -16.014 1.00 22.28 O HETATM 2045 O HOH 66 14.814 -28.901 -22.101 1.00 23.36 O HETATM 2046 O HOH 67 18.836 1.249 -17.826 1.00 18.88 O HETATM 2047 O HOH 68 -11.690 -17.921 -27.578 1.00 11.34 O HETATM 2048 O HOH 69 3.751 5.771 -16.171 1.00 13.02 O HETATM 2049 O HOH 70 -11.877 0.707 -5.756 1.00 19.44 O HETATM 2050 O HOH 71 17.276 -26.472 -21.989 1.00 24.25 O HETATM 2051 O HOH 72 6.112 -9.517 -30.417 1.00 29.89 O HETATM 2052 O HOH 73 1.670 -3.380 -6.000 1.00 8.84 O HETATM 2053 O HOH 74 9.542 2.037 -24.554 1.00 20.36 O HETATM 2054 O HOH 75 -3.869 0.196 -13.940 1.00 7.33 O HETATM 2055 O HOH 76 -0.402 4.147 -7.876 1.00 23.90 O HETATM 2056 O HOH 77 19.240 -5.147 -11.869 1.00 12.36 O HETATM 2057 O HOH 78 14.803 -14.928 -24.869 1.00 12.14 O HETATM 2058 O HOH 79 -8.751 -17.527 -11.493 1.00 4.74 O HETATM 2059 O HOH 80 5.835 4.933 -26.728 1.00 27.28 O HETATM 2060 O HOH 81 13.138 -9.310 -26.483 1.00 13.42 O HETATM 2061 O HOH 82 17.127 1.196 -8.561 1.00 20.34 O HETATM 2062 O HOH 83 8.151 6.428 -26.230 1.00 21.35 O HETATM 2063 O HOH 84 8.376 -26.988 -0.926 1.00 22.29 O HETATM 2064 O HOH 85 -12.825 -2.924 -21.037 1.00 17.38 O HETATM 2065 O HOH 86 10.043 0.966 -1.032 1.00 17.54 O HETATM 2066 O HOH 87 -4.898 -24.469 -13.566 1.00 16.58 O HETATM 2067 O HOH 88 -5.401 -27.888 -15.913 1.00 20.78 O HETATM 2068 O HOH 89 10.143 -1.417 -20.044 1.00 6.12 O HETATM 2069 O HOH 90 19.784 -5.077 -14.515 1.00 17.55 O HETATM 2070 O HOH 91 -8.232 -19.575 -9.831 1.00 14.67 O HETATM 2071 O HOH 92 13.787 -3.908 -27.162 1.00 8.55 O HETATM 2072 O HOH 93 -8.865 -11.642 -14.675 1.00 5.52 O HETATM 2073 O HOH 94 -0.942 11.092 -17.843 1.00 14.19 O HETATM 2074 O HOH 95 0.811 -24.528 -29.372 1.00 9.90 O HETATM 2075 O HOH 96 -14.812 -17.131 -7.420 1.00 16.35 O HETATM 2076 O HOH 97 -0.975 -20.639 -19.937 1.00 5.13 O HETATM 2077 O HOH 98 -2.241 -7.321 -26.913 1.00 22.49 O HETATM 2078 O HOH 99 2.806 -25.900 -27.490 1.00 8.94 O HETATM 2079 O HOH 100 -2.755 -13.754 -13.869 1.00 4.08 O HETATM 2080 O HOH 101 15.444 -7.723 -24.880 1.00 20.59 O HETATM 2081 O HOH 102 -14.381 -8.485 -25.720 1.00 19.21 O HETATM 2082 O HOH 103 -3.735 -16.494 -24.558 1.00 4.67 O HETATM 2083 O HOH 104 -2.312 -20.378 -24.973 1.00 4.02 O HETATM 2084 O HOH 105 -13.757 -23.251 -21.722 1.00 17.92 O HETATM 2085 O HOH 106 -12.985 -2.128 -15.860 1.00 25.11 O HETATM 2086 O HOH 107 -12.275 5.625 -9.921 1.00 11.53 O HETATM 2087 O HOH 108 -5.872 -17.927 -23.666 1.00 7.63 O HETATM 2088 O HOH 109 -11.879 7.826 -6.233 1.00 20.69 O HETATM 2089 O HOH 110 15.708 -20.844 -22.436 1.00 15.93 O HETATM 2090 O HOH 111 0.301 -0.127 -27.572 1.00 18.84 O HETATM 2091 O HOH 112 -2.744 -18.040 -20.392 1.00 18.86 O HETATM 2092 O HOH 113 -2.057 -18.505 -22.805 1.00 5.98 O HETATM 2093 O HOH 114 -8.920 2.092 -20.604 1.00 14.29 O HETATM 2094 O HOH 115 -6.222 6.288 -13.259 1.00 12.31 O HETATM 2095 O HOH 116 22.331 -6.180 -7.117 1.00 25.02 O HETATM 2096 O HOH 117 -1.025 -3.011 -10.435 1.00 8.90 O HETATM 2097 O HOH 118 -3.023 -26.571 -13.514 1.00 19.10 O HETATM 2098 O HOH 119 19.515 -1.998 -21.777 1.00 15.43 O HETATM 2099 O HOH 120 -13.761 -27.342 -16.370 1.00 20.14 O HETATM 2100 O HOH 121 11.703 0.646 -8.058 1.00 19.92 O HETATM 2101 O HOH 122 15.759 -12.540 -24.179 1.00 18.02 O HETATM 2102 O HOH 123 22.052 -22.973 -14.179 1.00 12.73 O HETATM 2103 O HOH 124 -1.563 -21.203 -3.944 1.00 21.83 O HETATM 2104 O HOH 125 -13.268 -5.299 -26.935 1.00 16.66 O HETATM 2105 O HOH 126 -6.763 -19.512 -7.510 1.00 11.95 O HETATM 2106 O HOH 127 10.956 -13.738 -3.669 1.00 16.07 O HETATM 2107 O HOH 128 -0.524 -31.929 -20.633 1.00 16.70 O HETATM 2108 O HOH 129 7.663 0.082 -2.259 1.00 8.10 O HETATM 2109 O HOH 130 -10.246 -3.850 -22.851 1.00 7.89 O HETATM 2110 O HOH 131 -18.864 -6.623 -26.770 1.00 24.30 O HETATM 2111 O HOH 132 0.055 14.021 -8.384 1.00 23.17 O HETATM 2112 O HOH 133 7.361 3.203 -19.416 1.00 16.86 O HETATM 2113 O HOH 134 -9.979 3.570 -1.965 1.00 20.96 O HETATM 2114 O HOH 135 -3.671 1.287 -2.444 1.00 17.05 O HETATM 2115 O HOH 136 8.869 -20.348 -18.931 1.00 25.12 O HETATM 2116 O HOH 137 -2.338 14.522 -13.861 1.00 19.54 O HETATM 2117 O HOH 138 -13.142 -16.839 -25.598 1.00 20.25 O HETATM 2118 O HOH 139 4.286 -16.182 -29.199 1.00 17.90 O HETATM 2119 O HOH 140 18.719 2.325 -22.930 1.00 19.51 O HETATM 2120 O HOH 141 -6.976 -21.978 -9.786 1.00 10.72 O HETATM 2121 O HOH 142 7.747 -20.378 -34.513 1.00 29.79 O HETATM 2122 O HOH 143 -14.697 -0.808 -9.436 1.00 23.95 O HETATM 2123 O HOH 144 20.476 -3.877 -24.239 1.00 16.68 O HETATM 2124 O HOH 145 -16.800 -5.334 -8.524 1.00 21.53 O HETATM 2125 O HOH 146 5.029 -6.593 -1.068 1.00 20.61 O HETATM 2126 O HOH 147 19.517 -1.535 -25.085 1.00 19.66 O HETATM 2127 O HOH 148 -14.049 -16.752 -16.878 1.00 19.93 O HETATM 2128 O HOH 149 -8.581 13.995 -8.028 1.00 23.47 O HETATM 2129 O HOH 150 -2.233 10.048 -15.155 1.00 32.62 O HETATM 2130 O HOH 151 19.463 -25.732 -14.424 1.00 22.82 O HETATM 2131 O HOH 152 -13.696 -4.611 -22.879 1.00 24.96 O HETATM 2132 O HOH 153 18.451 -19.234 -8.162 1.00 26.47 O HETATM 2133 O HOH 154 24.133 -11.101 -20.007 1.00 20.77 O HETATM 2134 O HOH 155 7.940 1.771 -26.909 1.00 23.69 O HETATM 2135 O HOH 156 -16.445 -11.521 -21.446 1.00 20.99 O HETATM 2136 O HOH 157 -8.672 -18.425 -3.504 1.00 19.25 O HETATM 2137 O HOH 158 5.585 -22.172 -1.986 1.00 28.43 O HETATM 2138 O HOH 159 -10.438 -30.291 -25.739 1.00 18.22 O HETATM 2139 O HOH 160 -16.877 -13.971 -23.637 1.00 18.04 O HETATM 2140 O HOH 161 4.004 -14.097 -28.131 1.00 18.40 O HETATM 2141 O HOH 162 -5.826 -28.348 -28.424 1.00 20.33 O HETATM 2142 O HOH 163 -2.146 9.574 -8.530 1.00 22.20 O HETATM 2143 O HOH 164 -17.070 -8.833 -21.449 1.00 21.41 O HETATM 2144 O HOH 165 0.223 8.279 -6.143 1.00 24.45 O HETATM 2145 O HOH 166 -3.367 -33.203 -25.715 1.00 57.27 O HETATM 2146 O HOH 167 -14.858 -4.822 -10.486 1.00 18.99 O HETATM 2147 O HOH 168 8.121 -29.363 -4.872 1.00 25.74 O HETATM 2148 O HOH 169 1.674 -0.931 -4.377 1.00 19.45 O HETATM 2149 O HOH 170 13.393 3.568 -5.545 1.00 20.78 O HETATM 2150 O HOH 171 17.430 -18.843 -22.735 1.00 14.96 O HETATM 2151 O HOH 172 2.059 -29.746 -25.471 1.00 22.97 O HETATM 2152 O HOH 173 -0.636 1.044 -3.667 1.00 21.67 O HETATM 2153 O HOH 174 -2.045 -29.076 -10.706 1.00 21.64 O HETATM 2154 O HOH 175 -11.466 5.207 -0.508 1.00 20.98 O HETATM 2155 O HOH 176 6.440 5.955 -6.986 1.00 27.29 O HETATM 2156 O HOH 177 11.638 -15.748 -2.021 1.00 20.86 O HETATM 2157 O HOH 178 4.202 1.795 -27.330 1.00 19.44 O HETATM 2158 O HOH 179 2.562 8.478 -4.674 1.00 22.96 O HETATM 2159 O HOH 180 -13.105 8.277 -3.539 1.00 18.75 O HETATM 2160 O HOH 181 11.059 0.775 1.500 1.00 8.05 O HETATM 2161 O HOH 182 11.851 -19.149 -1.676 1.00 21.75 O HETATM 2162 O HOH 183 10.326 -28.951 -1.374 1.00 14.82 O HETATM 2163 O HOH 184 -3.906 14.382 -11.941 1.00 19.94 O HETATM 2164 O HOH 185 -14.153 7.190 -0.839 1.00 21.19 O HETATM 2165 C6 UNN A 186 -5.612 -15.983 -6.265 1.00 0.09 C HETATM 2166 C7 UNN A 186 -4.401 -15.338 -6.439 1.00 -0.01 C HETATM 2167 C9 UNN A 186 -3.675 -14.997 -5.293 1.00 0.06 C HETATM 2168 C10 UNN A 186 -4.137 -15.287 -4.003 1.00 -0.05 C HETATM 2169 C12 UNN A 186 -5.371 -15.920 -3.852 1.00 -0.08 C HETATM 2170 C14 UNN A 186 -6.098 -16.263 -4.975 1.00 -0.05 C HETATM 2171 H8 UNN A 186 -7.057 -16.755 -4.861 1.00 0.04 H HETATM 2172 H7 UNN A 186 -5.755 -16.140 -2.863 1.00 0.06 H HETATM 2173 H2 UNN A 186 -3.544 -15.023 -3.135 1.00 0.04 H HETATM 2174 N16 UNN A 186 -2.450 -14.410 -5.483 1.00 -0.23 N HETATM 2175 C18 UNN A 186 -1.840 -13.536 -4.652 1.00 0.23 C HETATM 2176 C20 UNN A 186 -0.505 -13.130 -5.191 1.00 0.15 C HETATM 2177 C28 UNN A 186 0.690 -13.998 -4.665 1.00 0.03 C HETATM 2178 C26 UNN A 186 1.198 -13.086 -3.508 1.00 0.00 C HETATM 2179 C23 UNN A 186 1.104 -11.653 -4.097 1.00 0.08 C HETATM 2180 N22 UNN A 186 -0.117 -11.775 -4.889 1.00 -0.23 N HETATM 2181 C34 UNN A 186 -0.884 -10.720 -5.380 1.00 0.28 C HETATM 2182 O35 UNN A 186 -1.932 -11.008 -6.041 1.00 -0.39 O HETATM 2183 N36 UNN A 186 -0.535 -9.446 -5.192 1.00 -0.24 N HETATM 2184 C38 UNN A 186 -1.249 -8.318 -5.608 1.00 0.06 C HETATM 2185 C39 UNN A 186 -1.011 -7.502 -6.674 1.00 0.06 C HETATM 2186 N41 UNN A 186 -2.059 -6.518 -6.730 1.00 -0.18 N HETATM 2187 C42 UNN A 186 -2.968 -6.716 -5.684 1.00 0.09 C HETATM 2188 C43 UNN A 186 -2.560 -7.834 -4.955 1.00 0.00 C HETATM 2189 C44 UNN A 186 -3.294 -8.240 -3.829 1.00 -0.08 C HETATM 2190 C46 UNN A 186 -4.472 -7.540 -3.447 1.00 -0.08 C HETATM 2191 C48 UNN A 186 -4.896 -6.400 -4.177 1.00 -0.08 C HETATM 2192 C50 UNN A 186 -4.144 -5.964 -5.302 1.00 -0.04 C HETATM 2193 H20 UNN A 186 -4.445 -5.086 -5.862 1.00 0.05 H HETATM 2194 H19 UNN A 186 -5.789 -5.864 -3.878 1.00 0.05 H HETATM 2195 H18 UNN A 186 -5.048 -7.879 -2.594 1.00 0.05 H HETATM 2196 H17 UNN A 186 -2.961 -9.092 -3.247 1.00 0.05 H HETATM 2197 C52 UNN A 186 -2.153 -5.547 -7.664 1.00 0.32 C HETATM 2198 O53 UNN A 186 -3.038 -4.661 -7.725 1.00 -0.37 O HETATM 2199 N54 UNN A 186 -1.115 -5.454 -8.557 1.00 -0.27 N HETATM 2200 H21 UNN A 186 -1.131 -4.754 -9.271 1.00 0.18 H HETATM 2201 H22 UNN A 186 -0.343 -6.087 -8.494 1.00 0.18 H HETATM 2202 H16 UNN A 186 -0.172 -7.581 -7.364 1.00 0.07 H HETATM 2203 H15 UNN A 186 0.323 -9.281 -4.705 1.00 0.21 H HETATM 2204 H10 UNN A 186 1.974 -11.414 -4.726 1.00 0.06 H HETATM 2205 H11 UNN A 186 1.002 -10.894 -3.307 1.00 0.06 H HETATM 2206 N31 UNN A 186 0.366 -13.346 -2.321 1.00 0.22 N HETATM 2207 H12 UNN A 186 0.499 -14.299 -2.019 1.00 0.20 H HETATM 2208 H13 UNN A 186 -0.604 -13.199 -2.552 1.00 0.20 H HETATM 2209 H14 UNN A 186 0.633 -12.718 -1.579 1.00 0.20 H HETATM 2210 H4 UNN A 186 2.245 -13.311 -3.259 1.00 0.09 H HETATM 2211 H5 UNN A 186 1.459 -14.144 -5.437 1.00 0.04 H HETATM 2212 H6 UNN A 186 0.352 -14.977 -4.295 1.00 0.04 H HETATM 2213 H3 UNN A 186 -0.563 -13.239 -6.284 1.00 0.08 H HETATM 2214 O19 UNN A 186 -2.302 -12.979 -3.675 1.00 -0.38 O HETATM 2215 H9 UNN A 186 -1.959 -14.653 -6.320 1.00 0.23 H HETATM 2216 H1 UNN A 186 -4.027 -15.105 -7.429 1.00 0.04 H HETATM 2217 O5 UNN A 186 -6.302 -16.373 -7.419 1.00 -0.23 O HETATM 2218 C2 UNN A 186 -7.239 -15.449 -7.938 1.00 0.55 C HETATM 2219 F1 UNN A 186 -6.601 -14.330 -8.283 1.00 -0.14 F HETATM 2220 F3 UNN A 186 -8.078 -15.124 -6.913 1.00 -0.14 F HETATM 2221 F4 UNN A 186 -7.823 -16.016 -9.036 1.00 -0.14 F CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 234 233 368 CONECT 368 234 367 CONECT 390 391 394 395 396 CONECT 394 390 CONECT 395 390 CONECT 396 390 CONECT 1089 1088 1610 CONECT 1376 1375 1442 CONECT 1390 1391 1399 1400 1401 CONECT 1399 1390 CONECT 1400 1390 CONECT 1401 1390 CONECT 1442 1376 1441 CONECT 1534 1533 1730 CONECT 1610 1089 1609 CONECT 1730 1534 1729 CONECT 2165 2166 2170 2217 CONECT 2166 2165 2167 2216 CONECT 2167 2166 2168 2174 CONECT 2168 2167 2169 2173 CONECT 2169 2168 2170 2172 CONECT 2170 2165 2169 2171 CONECT 2171 2170 CONECT 2172 2169 CONECT 2173 2168 CONECT 2174 2167 2175 2215 CONECT 2175 2174 2176 2214 CONECT 2176 2175 2177 2180 2213 CONECT 2177 2176 2178 2211 2212 CONECT 2178 2177 2179 2206 2210 CONECT 2179 2178 2180 2204 2205 CONECT 2180 2176 2179 2181 CONECT 2181 2180 2182 2183 CONECT 2182 2181 CONECT 2183 2181 2184 2203 CONECT 2184 2183 2185 2188 CONECT 2185 2184 2186 2202 CONECT 2186 2185 2187 2197 CONECT 2187 2186 2188 2192 CONECT 2188 2184 2187 2189 CONECT 2189 2188 2190 2196 CONECT 2190 2189 2191 2195 CONECT 2191 2190 2192 2194 CONECT 2192 2187 2191 2193 CONECT 2193 2192 CONECT 2194 2191 CONECT 2195 2190 CONECT 2196 2189 CONECT 2197 2186 2198 2199 CONECT 2198 2197 CONECT 2199 2197 2200 2201 CONECT 2200 2199 CONECT 2201 2199 CONECT 2202 2185 CONECT 2203 2183 CONECT 2204 2179 CONECT 2205 2179 CONECT 2206 2178 2207 2208 2209 CONECT 2207 2206 CONECT 2208 2206 CONECT 2209 2206 CONECT 2210 2178 CONECT 2211 2177 CONECT 2212 2177 CONECT 2213 2176 CONECT 2214 2175 CONECT 2215 2174 CONECT 2216 2166 CONECT 2217 2165 2218 CONECT 2218 2217 2219 2220 2221 CONECT 2219 2218 CONECT 2220 2218 CONECT 2221 2218 MASTER 0 0 0 0 0 0 0 0 2218 3 77 18 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5nb6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1bio
RCSB PDB
PDBbind
228aa, >1BIO_1|Chain... at 100%
5fbe
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PDBbind
232aa, >5FBE_1|Chain... at 99%
5fbi
RCSB PDB
PDBbind
232aa, >5FBI_1|Chain... at 99%
5fck
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PDBbind
232aa, >5FCK_1|Chain... at 99%
5mt0
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PDBbind
232aa, >5MT0_1|Chain... at 99%
5mt4
RCSB PDB
PDBbind
232aa, >5MT4_1|Chain... at 99%
5nar
RCSB PDB
PDBbind
232aa, >5NAR_1|Chain... at 99%
5naw
RCSB PDB
PDBbind
232aa, >5NAW_1|Chain... at 99%
5nb7
RCSB PDB
PDBbind
230aa, >5NB7_1|Chain... at 100%
5nba
RCSB PDB
PDBbind
230aa, >5NBA_1|Chain... at 100%
5tca
RCSB PDB
PDBbind
228aa, >5TCA_1|Chains... at 100%
5tcc
RCSB PDB
PDBbind
228aa, >5TCC_1|Chains... at 100%
6fty
RCSB PDB
PDBbind
232aa, >6FTY_1|Chain... at 99%
6ftz
RCSB PDB
PDBbind
232aa, >6FTZ_1|Chain... at 99%
6fug
RCSB PDB
PDBbind
232aa, >6FUG_1|Chains... at 99%
6fuh
RCSB PDB
PDBbind
232aa, >6FUH_1|Chain... at 99%
6fui
RCSB PDB
PDBbind
232aa, >6FUI_1|Chain... at 99%
6fuj
RCSB PDB
PDBbind
232aa, >6FUJ_1|Chains... at 99%
6fut
RCSB PDB
PDBbind
232aa, >6FUT_1|Chain... at 99%
6qmt
RCSB PDB
PDBbind
254aa, >6QMT_1|Chains... at 100%
6qmr
RCSB PDB
PDBbind
254aa, >6QMR_1|Chains... *
5nat
RCSB PDB
PDBbind
232aa, >5NAT_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5nb6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Complement factor D
Ligand Name
8S2
EC.Number
E.C.3.4.21.46
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
IC50=0.50uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 5717-5735
Ligand Properties
Formula
C
2
2
H
2
2
F
3
N
6
O
4
Molecular Weight
491.443
Exact Mass
491.165
No. of atoms
57
No. of bonds
60
Polar Surface Area
146.33
LOGP Value
1.87 (
Computed with XLOGP3
)
3.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
O=C([C@@H]1C[C@@H](CN1C(=O)Nc1cn(c2c1cccc2)C(=O)N)[NH3+])Nc1cccc(c1)OC(F)(F)F
InChI String
InChI=1S/C22H21F3N6O4/c23-22(24,25)35-14-5-3-4-13(9-14)28-19(32)18-8-12(26)10-31(18)21(34)29-16-11-30(20(27)33)17-7-2-1-6-15(16)17/h1-7,9,11-12,18H,8,10,26H2,(H2,27,33)(H,28,32)(H,29,34)/p+1/t12-,18-/m0/s1
Links to External Databases
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UniProtKB AC
UniProt accession number (AC):
P00746
Entrez Gene ID
NCBI Entrez Gene ID:
1675
ASD
Information of known allosteric effects of PDB entries
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