USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 771 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 SER OG : rot 118:sc= 1.62 USER MOD Set 1.2: A 81 CYS SG : rot 74:sc= -0.311 USER MOD Set 2.1: A 30 CYS SG : rot 15:sc= 0.0824 USER MOD Set 2.2: A 57 GLN : amide:sc= -2.54! C(o=-8.2!,f=-12!) USER MOD Set 2.3: A 62 CYS SG : rot 70:sc= -6.23! USER MOD Set 2.4: A 79 CYS SG : rot -83:sc= 0.511 USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.063 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 0.443 USER MOD Single : A 3 SER OG : rot -59:sc= 0.0781 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 24:sc=0.000679 USER MOD Single : A 10 LYS NZ :NH3+ -172:sc= 0.293 (180deg=0.251) USER MOD Single : A 17 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.3) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 136:sc= 0.431 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.0479 X(o=-0.048,f=-0.00041) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.725 USER MOD Single : A 53 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-1.1) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.821 USER MOD Single : A 65 GLN : amide:sc= -0.0111 X(o=-0.011,f=-0.23) USER MOD Single : A 77 TYR OH : rot -9:sc= 1.08 USER MOD Single : A 78 SER OG : rot -170:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.4) USER MOD Single : A 86 THR OG1 : rot 150:sc= -0.0253 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.237 42.915 6.480 1.00 0.00 N ATOM 2 CA GLY A 1 -1.100 42.341 5.785 1.00 0.00 C ATOM 3 C GLY A 1 -1.217 40.839 5.624 1.00 0.00 C ATOM 4 O GLY A 1 -1.928 40.180 6.382 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.901 43.580 7.206 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.840 43.421 5.800 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.786 42.157 6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.008 42.803 4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.187 42.575 6.333 1.00 0.00 H new ATOM 8 N SER A 2 -0.519 40.295 4.632 1.00 0.00 N ATOM 9 CA SER A 2 -0.551 38.861 4.370 1.00 0.00 C ATOM 10 C SER A 2 0.252 38.099 5.420 1.00 0.00 C ATOM 11 O SER A 2 1.451 38.325 5.585 1.00 0.00 O ATOM 12 CB SER A 2 -0.001 38.563 2.974 1.00 0.00 C ATOM 13 OG SER A 2 1.355 38.961 2.866 1.00 0.00 O ATOM 0 H SER A 2 0.076 40.826 3.996 1.00 0.00 H new ATOM 0 HA SER A 2 -1.588 38.530 4.421 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.088 37.497 2.765 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.597 39.085 2.225 1.00 0.00 H new ATOM 0 HG SER A 2 1.754 39.008 3.760 1.00 0.00 H new ATOM 19 N SER A 3 -0.418 37.194 6.126 1.00 0.00 N ATOM 20 CA SER A 3 0.232 36.400 7.163 1.00 0.00 C ATOM 21 C SER A 3 0.899 35.166 6.564 1.00 0.00 C ATOM 22 O SER A 3 0.643 34.040 6.988 1.00 0.00 O ATOM 23 CB SER A 3 -0.786 35.978 8.225 1.00 0.00 C ATOM 24 OG SER A 3 -0.139 35.466 9.376 1.00 0.00 O ATOM 0 H SER A 3 -1.410 36.992 5.999 1.00 0.00 H new ATOM 0 HA SER A 3 1.000 37.016 7.630 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.404 36.833 8.501 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.454 35.222 7.813 1.00 0.00 H new ATOM 0 HG SER A 3 0.409 34.693 9.126 1.00 0.00 H new ATOM 30 N GLY A 4 1.757 35.388 5.572 1.00 0.00 N ATOM 31 CA GLY A 4 2.449 34.285 4.930 1.00 0.00 C ATOM 32 C GLY A 4 1.701 33.757 3.721 1.00 0.00 C ATOM 33 O GLY A 4 0.779 34.403 3.222 1.00 0.00 O ATOM 0 H GLY A 4 1.985 36.311 5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.443 34.612 4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.586 33.478 5.650 1.00 0.00 H new ATOM 37 N SER A 5 2.099 32.580 3.249 1.00 0.00 N ATOM 38 CA SER A 5 1.463 31.968 2.088 1.00 0.00 C ATOM 39 C SER A 5 1.170 30.493 2.344 1.00 0.00 C ATOM 40 O SER A 5 1.986 29.778 2.926 1.00 0.00 O ATOM 41 CB SER A 5 2.356 32.115 0.855 1.00 0.00 C ATOM 42 OG SER A 5 2.117 33.347 0.195 1.00 0.00 O ATOM 0 H SER A 5 2.858 32.031 3.652 1.00 0.00 H new ATOM 0 HA SER A 5 0.519 32.482 1.908 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.403 32.055 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.171 31.289 0.168 1.00 0.00 H new ATOM 0 HG SER A 5 2.701 33.417 -0.589 1.00 0.00 H new ATOM 48 N SER A 6 -0.002 30.044 1.905 1.00 0.00 N ATOM 49 CA SER A 6 -0.406 28.656 2.089 1.00 0.00 C ATOM 50 C SER A 6 -1.179 28.149 0.875 1.00 0.00 C ATOM 51 O SER A 6 -1.501 28.914 -0.033 1.00 0.00 O ATOM 52 CB SER A 6 -1.263 28.515 3.349 1.00 0.00 C ATOM 53 OG SER A 6 -0.457 28.284 4.491 1.00 0.00 O ATOM 0 H SER A 6 -0.688 30.622 1.419 1.00 0.00 H new ATOM 0 HA SER A 6 0.495 28.053 2.201 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.854 29.420 3.494 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.966 27.692 3.224 1.00 0.00 H new ATOM 0 HG SER A 6 0.445 28.633 4.331 1.00 0.00 H new ATOM 59 N GLY A 7 -1.473 26.852 0.867 1.00 0.00 N ATOM 60 CA GLY A 7 -2.206 26.264 -0.239 1.00 0.00 C ATOM 61 C GLY A 7 -2.604 24.826 0.028 1.00 0.00 C ATOM 62 O GLY A 7 -2.682 24.384 1.174 1.00 0.00 O ATOM 0 H GLY A 7 -1.217 26.198 1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.101 26.855 -0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.594 26.307 -1.140 1.00 0.00 H new ATOM 66 N PRO A 8 -2.865 24.071 -1.049 1.00 0.00 N ATOM 67 CA PRO A 8 -3.262 22.663 -0.951 1.00 0.00 C ATOM 68 C PRO A 8 -2.120 21.770 -0.479 1.00 0.00 C ATOM 69 O PRO A 8 -0.948 22.098 -0.660 1.00 0.00 O ATOM 70 CB PRO A 8 -3.663 22.307 -2.385 1.00 0.00 C ATOM 71 CG PRO A 8 -2.899 23.260 -3.239 1.00 0.00 C ATOM 72 CD PRO A 8 -2.791 24.532 -2.445 1.00 0.00 C ATOM 0 HA PRO A 8 -4.058 22.514 -0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.411 21.273 -2.622 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.737 22.415 -2.534 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.912 22.864 -3.478 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.411 23.433 -4.185 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.855 25.053 -2.647 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.599 25.224 -2.683 1.00 0.00 H new ATOM 80 N SER A 9 -2.471 20.639 0.125 1.00 0.00 N ATOM 81 CA SER A 9 -1.474 19.699 0.625 1.00 0.00 C ATOM 82 C SER A 9 -0.925 18.836 -0.506 1.00 0.00 C ATOM 83 O SER A 9 -1.656 18.060 -1.123 1.00 0.00 O ATOM 84 CB SER A 9 -2.081 18.810 1.712 1.00 0.00 C ATOM 85 OG SER A 9 -3.316 18.257 1.288 1.00 0.00 O ATOM 0 H SER A 9 -3.437 20.351 0.280 1.00 0.00 H new ATOM 0 HA SER A 9 -0.652 20.273 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.386 18.008 1.960 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.233 19.393 2.620 1.00 0.00 H new ATOM 0 HG SER A 9 -3.243 17.280 1.256 1.00 0.00 H new ATOM 91 N LYS A 10 0.369 18.976 -0.775 1.00 0.00 N ATOM 92 CA LYS A 10 1.020 18.210 -1.831 1.00 0.00 C ATOM 93 C LYS A 10 1.884 17.099 -1.243 1.00 0.00 C ATOM 94 O LYS A 10 2.848 17.364 -0.524 1.00 0.00 O ATOM 95 CB LYS A 10 1.876 19.130 -2.703 1.00 0.00 C ATOM 96 CG LYS A 10 1.082 19.884 -3.755 1.00 0.00 C ATOM 97 CD LYS A 10 0.319 21.050 -3.148 1.00 0.00 C ATOM 98 CE LYS A 10 1.262 22.096 -2.575 1.00 0.00 C ATOM 99 NZ LYS A 10 0.675 23.463 -2.631 1.00 0.00 N ATOM 0 H LYS A 10 0.988 19.614 -0.275 1.00 0.00 H new ATOM 0 HA LYS A 10 0.244 17.755 -2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.389 19.848 -2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.645 18.536 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.757 20.252 -4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.383 19.204 -4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.314 21.507 -3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.341 20.684 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.498 21.844 -1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.201 22.081 -3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.396 24.162 -2.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.349 23.661 -3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.130 23.522 -1.975 1.00 0.00 H new ATOM 113 N PHE A 11 1.534 15.856 -1.554 1.00 0.00 N ATOM 114 CA PHE A 11 2.278 14.704 -1.057 1.00 0.00 C ATOM 115 C PHE A 11 3.782 14.955 -1.134 1.00 0.00 C ATOM 116 O PHE A 11 4.260 15.654 -2.028 1.00 0.00 O ATOM 117 CB PHE A 11 1.917 13.452 -1.858 1.00 0.00 C ATOM 118 CG PHE A 11 0.468 13.070 -1.753 1.00 0.00 C ATOM 119 CD1 PHE A 11 -0.032 12.511 -0.588 1.00 0.00 C ATOM 120 CD2 PHE A 11 -0.394 13.271 -2.819 1.00 0.00 C ATOM 121 CE1 PHE A 11 -1.365 12.159 -0.488 1.00 0.00 C ATOM 122 CE2 PHE A 11 -1.728 12.922 -2.725 1.00 0.00 C ATOM 123 CZ PHE A 11 -2.213 12.364 -1.558 1.00 0.00 C ATOM 0 H PHE A 11 0.739 15.620 -2.148 1.00 0.00 H new ATOM 0 HA PHE A 11 2.005 14.549 -0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.166 13.617 -2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.530 12.620 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.627 12.348 0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.019 13.705 -3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.743 11.724 0.426 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.390 13.085 -3.562 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.255 12.088 -1.483 1.00 0.00 H new ATOM 133 N ILE A 12 4.520 14.380 -0.191 1.00 0.00 N ATOM 134 CA ILE A 12 5.968 14.539 -0.152 1.00 0.00 C ATOM 135 C ILE A 12 6.674 13.284 -0.653 1.00 0.00 C ATOM 136 O ILE A 12 7.307 13.296 -1.708 1.00 0.00 O ATOM 137 CB ILE A 12 6.461 14.858 1.272 1.00 0.00 C ATOM 138 CG1 ILE A 12 5.424 15.699 2.018 1.00 0.00 C ATOM 139 CG2 ILE A 12 7.799 15.580 1.221 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.016 16.953 1.277 1.00 0.00 C ATOM 0 H ILE A 12 4.139 13.800 0.556 1.00 0.00 H new ATOM 0 HA ILE A 12 6.211 15.375 -0.808 1.00 0.00 H new ATOM 0 HB ILE A 12 6.597 13.921 1.811 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.538 15.091 2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.826 15.977 2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.134 15.798 2.235 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.535 14.948 0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.689 16.512 0.667 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.279 17.499 1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.892 17.582 1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.583 16.682 0.314 1.00 0.00 H new ATOM 152 N GLU A 13 6.558 12.202 0.111 1.00 0.00 N ATOM 153 CA GLU A 13 7.184 10.937 -0.257 1.00 0.00 C ATOM 154 C GLU A 13 6.384 10.230 -1.347 1.00 0.00 C ATOM 155 O GLU A 13 6.951 9.647 -2.270 1.00 0.00 O ATOM 156 CB GLU A 13 7.311 10.030 0.968 1.00 0.00 C ATOM 157 CG GLU A 13 8.614 10.212 1.728 1.00 0.00 C ATOM 158 CD GLU A 13 9.090 11.651 1.734 1.00 0.00 C ATOM 159 OE1 GLU A 13 8.316 12.531 2.165 1.00 0.00 O ATOM 160 OE2 GLU A 13 10.238 11.897 1.307 1.00 0.00 O ATOM 0 H GLU A 13 6.037 12.176 0.988 1.00 0.00 H new ATOM 0 HA GLU A 13 8.180 11.153 -0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.477 10.225 1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.228 8.991 0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.481 9.873 2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.382 9.581 1.281 1.00 0.00 H new ATOM 167 N GLY A 14 5.060 10.287 -1.232 1.00 0.00 N ATOM 168 CA GLY A 14 4.203 9.648 -2.213 1.00 0.00 C ATOM 169 C GLY A 14 4.126 8.146 -2.025 1.00 0.00 C ATOM 170 O GLY A 14 4.811 7.584 -1.170 1.00 0.00 O ATOM 0 H GLY A 14 4.567 10.764 -0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.201 10.071 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.575 9.867 -3.214 1.00 0.00 H new ATOM 174 N LEU A 15 3.289 7.493 -2.824 1.00 0.00 N ATOM 175 CA LEU A 15 3.123 6.046 -2.741 1.00 0.00 C ATOM 176 C LEU A 15 4.143 5.330 -3.621 1.00 0.00 C ATOM 177 O LEU A 15 4.451 5.782 -4.724 1.00 0.00 O ATOM 178 CB LEU A 15 1.706 5.651 -3.158 1.00 0.00 C ATOM 179 CG LEU A 15 0.576 6.165 -2.266 1.00 0.00 C ATOM 180 CD1 LEU A 15 -0.771 5.980 -2.948 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.595 5.457 -0.919 1.00 0.00 C ATOM 0 H LEU A 15 2.715 7.943 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 15 3.288 5.744 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.534 6.011 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.649 4.563 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 15 0.731 7.231 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.562 6.352 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.783 6.534 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.934 4.921 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.216 5.836 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.467 4.385 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.548 5.642 -0.424 1.00 0.00 H new ATOM 193 N ARG A 16 4.661 4.210 -3.127 1.00 0.00 N ATOM 194 CA ARG A 16 5.644 3.431 -3.869 1.00 0.00 C ATOM 195 C ARG A 16 5.185 1.984 -4.026 1.00 0.00 C ATOM 196 O ARG A 16 4.443 1.465 -3.194 1.00 0.00 O ATOM 197 CB ARG A 16 7.000 3.473 -3.160 1.00 0.00 C ATOM 198 CG ARG A 16 7.671 4.836 -3.212 1.00 0.00 C ATOM 199 CD ARG A 16 8.350 5.072 -4.552 1.00 0.00 C ATOM 200 NE ARG A 16 9.734 4.606 -4.554 1.00 0.00 N ATOM 201 CZ ARG A 16 10.722 5.234 -3.926 1.00 0.00 C ATOM 202 NH1 ARG A 16 10.479 6.347 -3.249 1.00 0.00 N ATOM 203 NH2 ARG A 16 11.956 4.747 -3.975 1.00 0.00 N ATOM 0 H ARG A 16 4.416 3.822 -2.216 1.00 0.00 H new ATOM 0 HA ARG A 16 5.746 3.871 -4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.865 3.183 -2.118 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.661 2.734 -3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.929 5.615 -3.037 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.407 4.911 -2.412 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.793 4.558 -5.336 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.325 6.136 -4.788 1.00 0.00 H new ATOM 0 HE ARG A 16 9.954 3.751 -5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.532 6.723 -3.209 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.239 6.827 -2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.146 3.890 -4.495 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.714 5.230 -3.493 1.00 0.00 H new ATOM 217 N ASN A 17 5.633 1.340 -5.099 1.00 0.00 N ATOM 218 CA ASN A 17 5.267 -0.046 -5.366 1.00 0.00 C ATOM 219 C ASN A 17 5.470 -0.911 -4.125 1.00 0.00 C ATOM 220 O ASN A 17 6.594 -1.293 -3.801 1.00 0.00 O ATOM 221 CB ASN A 17 6.095 -0.599 -6.528 1.00 0.00 C ATOM 222 CG ASN A 17 5.998 0.266 -7.770 1.00 0.00 C ATOM 223 OD1 ASN A 17 4.982 0.261 -8.465 1.00 0.00 O ATOM 224 ND2 ASN A 17 7.058 1.013 -8.054 1.00 0.00 N ATOM 0 H ASN A 17 6.250 1.756 -5.797 1.00 0.00 H new ATOM 0 HA ASN A 17 4.211 -0.072 -5.636 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.139 -0.676 -6.223 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.757 -1.608 -6.764 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.052 1.615 -8.877 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.879 0.985 -7.449 1.00 0.00 H new ATOM 231 N GLU A 18 4.374 -1.215 -3.437 1.00 0.00 N ATOM 232 CA GLU A 18 4.432 -2.035 -2.233 1.00 0.00 C ATOM 233 C GLU A 18 4.212 -3.508 -2.565 1.00 0.00 C ATOM 234 O GLU A 18 3.279 -3.858 -3.286 1.00 0.00 O ATOM 235 CB GLU A 18 3.385 -1.567 -1.220 1.00 0.00 C ATOM 236 CG GLU A 18 3.169 -2.541 -0.074 1.00 0.00 C ATOM 237 CD GLU A 18 4.386 -2.667 0.822 1.00 0.00 C ATOM 238 OE1 GLU A 18 5.394 -3.252 0.373 1.00 0.00 O ATOM 239 OE2 GLU A 18 4.331 -2.182 1.971 1.00 0.00 O ATOM 0 H GLU A 18 3.436 -0.906 -3.693 1.00 0.00 H new ATOM 0 HA GLU A 18 5.425 -1.924 -1.797 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.690 -0.603 -0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.438 -1.410 -1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.317 -2.213 0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.917 -3.521 -0.478 1.00 0.00 H new ATOM 246 N GLU A 19 5.079 -4.364 -2.035 1.00 0.00 N ATOM 247 CA GLU A 19 4.980 -5.799 -2.276 1.00 0.00 C ATOM 248 C GLU A 19 4.673 -6.549 -0.983 1.00 0.00 C ATOM 249 O GLU A 19 5.331 -6.344 0.037 1.00 0.00 O ATOM 250 CB GLU A 19 6.279 -6.327 -2.888 1.00 0.00 C ATOM 251 CG GLU A 19 6.225 -7.800 -3.256 1.00 0.00 C ATOM 252 CD GLU A 19 7.520 -8.296 -3.869 1.00 0.00 C ATOM 253 OE1 GLU A 19 8.514 -8.433 -3.127 1.00 0.00 O ATOM 254 OE2 GLU A 19 7.538 -8.549 -5.092 1.00 0.00 O ATOM 0 H GLU A 19 5.858 -4.089 -1.436 1.00 0.00 H new ATOM 0 HA GLU A 19 4.162 -5.967 -2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.512 -5.747 -3.781 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.094 -6.167 -2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.002 -8.386 -2.364 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.408 -7.965 -3.958 1.00 0.00 H new ATOM 261 N ALA A 20 3.669 -7.418 -1.034 1.00 0.00 N ATOM 262 CA ALA A 20 3.275 -8.199 0.131 1.00 0.00 C ATOM 263 C ALA A 20 2.791 -9.587 -0.276 1.00 0.00 C ATOM 264 O ALA A 20 2.574 -9.859 -1.457 1.00 0.00 O ATOM 265 CB ALA A 20 2.192 -7.470 0.914 1.00 0.00 C ATOM 0 H ALA A 20 3.114 -7.599 -1.870 1.00 0.00 H new ATOM 0 HA ALA A 20 4.151 -8.320 0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.907 -8.065 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.571 -6.503 1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.321 -7.319 0.276 1.00 0.00 H new ATOM 271 N THR A 21 2.626 -10.464 0.710 1.00 0.00 N ATOM 272 CA THR A 21 2.170 -11.824 0.454 1.00 0.00 C ATOM 273 C THR A 21 0.696 -11.986 0.806 1.00 0.00 C ATOM 274 O THR A 21 0.255 -11.566 1.876 1.00 0.00 O ATOM 275 CB THR A 21 2.993 -12.852 1.253 1.00 0.00 C ATOM 276 OG1 THR A 21 4.388 -12.682 0.979 1.00 0.00 O ATOM 277 CG2 THR A 21 2.572 -14.271 0.905 1.00 0.00 C ATOM 0 H THR A 21 2.802 -10.256 1.693 1.00 0.00 H new ATOM 0 HA THR A 21 2.308 -12.008 -0.611 1.00 0.00 H new ATOM 0 HB THR A 21 2.809 -12.686 2.314 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.904 -13.338 1.492 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.167 -14.979 1.482 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.517 -14.406 1.142 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.730 -14.447 -0.159 1.00 0.00 H new ATOM 285 N GLU A 22 -0.061 -12.598 -0.100 1.00 0.00 N ATOM 286 CA GLU A 22 -1.486 -12.814 0.117 1.00 0.00 C ATOM 287 C GLU A 22 -1.763 -13.208 1.565 1.00 0.00 C ATOM 288 O GLU A 22 -0.924 -13.821 2.224 1.00 0.00 O ATOM 289 CB GLU A 22 -2.010 -13.899 -0.826 1.00 0.00 C ATOM 290 CG GLU A 22 -3.489 -14.196 -0.651 1.00 0.00 C ATOM 291 CD GLU A 22 -3.906 -15.494 -1.316 1.00 0.00 C ATOM 292 OE1 GLU A 22 -3.404 -16.560 -0.902 1.00 0.00 O ATOM 293 OE2 GLU A 22 -4.734 -15.443 -2.250 1.00 0.00 O ATOM 0 H GLU A 22 0.289 -12.952 -0.990 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.004 -11.878 -0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.829 -13.591 -1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.442 -14.815 -0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.722 -14.246 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.072 -13.375 -1.067 1.00 0.00 H new ATOM 300 N GLY A 23 -2.946 -12.850 2.055 1.00 0.00 N ATOM 301 CA GLY A 23 -3.313 -13.174 3.421 1.00 0.00 C ATOM 302 C GLY A 23 -2.797 -12.153 4.416 1.00 0.00 C ATOM 303 O GLY A 23 -3.470 -11.839 5.399 1.00 0.00 O ATOM 0 H GLY A 23 -3.657 -12.341 1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.399 -13.236 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.919 -14.158 3.677 1.00 0.00 H new ATOM 307 N ASP A 24 -1.600 -11.636 4.164 1.00 0.00 N ATOM 308 CA ASP A 24 -0.994 -10.645 5.046 1.00 0.00 C ATOM 309 C ASP A 24 -1.804 -9.352 5.049 1.00 0.00 C ATOM 310 O ASP A 24 -2.760 -9.203 4.288 1.00 0.00 O ATOM 311 CB ASP A 24 0.445 -10.359 4.614 1.00 0.00 C ATOM 312 CG ASP A 24 1.335 -11.581 4.719 1.00 0.00 C ATOM 313 OD1 ASP A 24 0.834 -12.702 4.491 1.00 0.00 O ATOM 314 OD2 ASP A 24 2.534 -11.417 5.029 1.00 0.00 O ATOM 0 H ASP A 24 -1.030 -11.886 3.356 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.988 -11.051 6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.448 -9.999 3.585 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.855 -9.560 5.232 1.00 0.00 H new ATOM 319 N THR A 25 -1.415 -8.419 5.913 1.00 0.00 N ATOM 320 CA THR A 25 -2.106 -7.140 6.017 1.00 0.00 C ATOM 321 C THR A 25 -1.277 -6.015 5.407 1.00 0.00 C ATOM 322 O THR A 25 -0.290 -5.571 5.993 1.00 0.00 O ATOM 323 CB THR A 25 -2.423 -6.791 7.483 1.00 0.00 C ATOM 324 OG1 THR A 25 -3.170 -7.852 8.089 1.00 0.00 O ATOM 325 CG2 THR A 25 -3.213 -5.494 7.572 1.00 0.00 C ATOM 0 H THR A 25 -0.626 -8.525 6.550 1.00 0.00 H new ATOM 0 HA THR A 25 -3.040 -7.240 5.464 1.00 0.00 H new ATOM 0 HB THR A 25 -1.480 -6.661 8.014 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.366 -7.623 9.021 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.425 -5.268 8.617 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.630 -4.682 7.136 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.151 -5.601 7.026 1.00 0.00 H new ATOM 333 N ALA A 26 -1.684 -5.559 4.227 1.00 0.00 N ATOM 334 CA ALA A 26 -0.979 -4.484 3.539 1.00 0.00 C ATOM 335 C ALA A 26 -1.144 -3.160 4.277 1.00 0.00 C ATOM 336 O ALA A 26 -2.255 -2.775 4.643 1.00 0.00 O ATOM 337 CB ALA A 26 -1.477 -4.359 2.107 1.00 0.00 C ATOM 0 H ALA A 26 -2.498 -5.917 3.728 1.00 0.00 H new ATOM 0 HA ALA A 26 0.083 -4.730 3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.942 -3.553 1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.302 -5.296 1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.545 -4.139 2.111 1.00 0.00 H new ATOM 343 N THR A 27 -0.032 -2.465 4.492 1.00 0.00 N ATOM 344 CA THR A 27 -0.053 -1.184 5.188 1.00 0.00 C ATOM 345 C THR A 27 0.789 -0.147 4.455 1.00 0.00 C ATOM 346 O THR A 27 2.014 -0.119 4.588 1.00 0.00 O ATOM 347 CB THR A 27 0.464 -1.321 6.632 1.00 0.00 C ATOM 348 OG1 THR A 27 -0.370 -2.222 7.368 1.00 0.00 O ATOM 349 CG2 THR A 27 0.494 0.032 7.327 1.00 0.00 C ATOM 0 H THR A 27 0.895 -2.768 4.194 1.00 0.00 H new ATOM 0 HA THR A 27 -1.092 -0.854 5.212 1.00 0.00 H new ATOM 0 HB THR A 27 1.480 -1.715 6.594 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.033 -2.305 8.285 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.863 -0.090 8.345 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.153 0.707 6.781 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.512 0.450 7.353 1.00 0.00 H new ATOM 357 N LEU A 28 0.127 0.706 3.680 1.00 0.00 N ATOM 358 CA LEU A 28 0.816 1.747 2.926 1.00 0.00 C ATOM 359 C LEU A 28 0.805 3.069 3.687 1.00 0.00 C ATOM 360 O LEU A 28 -0.055 3.299 4.538 1.00 0.00 O ATOM 361 CB LEU A 28 0.160 1.930 1.556 1.00 0.00 C ATOM 362 CG LEU A 28 0.305 0.760 0.581 1.00 0.00 C ATOM 363 CD1 LEU A 28 -0.830 -0.235 0.769 1.00 0.00 C ATOM 364 CD2 LEU A 28 0.343 1.264 -0.854 1.00 0.00 C ATOM 0 H LEU A 28 -0.886 0.697 3.558 1.00 0.00 H new ATOM 0 HA LEU A 28 1.852 1.436 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.902 2.122 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.582 2.820 1.089 1.00 0.00 H new ATOM 0 HG LEU A 28 1.246 0.251 0.791 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.710 -1.060 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.811 -0.620 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.783 0.261 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.446 0.418 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.581 1.798 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.191 1.937 -0.981 1.00 0.00 H new ATOM 376 N TRP A 29 1.764 3.933 3.375 1.00 0.00 N ATOM 377 CA TRP A 29 1.863 5.233 4.029 1.00 0.00 C ATOM 378 C TRP A 29 2.426 6.281 3.074 1.00 0.00 C ATOM 379 O TRP A 29 3.205 5.960 2.176 1.00 0.00 O ATOM 380 CB TRP A 29 2.745 5.134 5.274 1.00 0.00 C ATOM 381 CG TRP A 29 4.202 4.979 4.960 1.00 0.00 C ATOM 382 CD1 TRP A 29 4.886 3.808 4.801 1.00 0.00 C ATOM 383 CD2 TRP A 29 5.154 6.031 4.769 1.00 0.00 C ATOM 384 NE1 TRP A 29 6.206 4.068 4.523 1.00 0.00 N ATOM 385 CE2 TRP A 29 6.396 5.424 4.497 1.00 0.00 C ATOM 386 CE3 TRP A 29 5.078 7.426 4.799 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.550 6.166 4.258 1.00 0.00 C ATOM 388 CZ3 TRP A 29 6.225 8.161 4.563 1.00 0.00 C ATOM 389 CH2 TRP A 29 7.447 7.530 4.294 1.00 0.00 C ATOM 0 H TRP A 29 2.484 3.757 2.674 1.00 0.00 H new ATOM 0 HA TRP A 29 0.860 5.540 4.326 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.605 6.028 5.882 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.418 4.286 5.875 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.453 2.822 4.882 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.927 3.365 4.362 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.140 7.921 5.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.493 5.682 4.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 6.178 9.240 4.586 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.325 8.132 4.112 1.00 0.00 H new ATOM 400 N CYS A 30 2.027 7.532 3.274 1.00 0.00 N ATOM 401 CA CYS A 30 2.492 8.627 2.430 1.00 0.00 C ATOM 402 C CYS A 30 2.636 9.913 3.238 1.00 0.00 C ATOM 403 O CYS A 30 1.731 10.296 3.978 1.00 0.00 O ATOM 404 CB CYS A 30 1.525 8.847 1.266 1.00 0.00 C ATOM 405 SG CYS A 30 -0.020 9.661 1.733 1.00 0.00 S ATOM 0 H CYS A 30 1.383 7.813 4.013 1.00 0.00 H new ATOM 0 HA CYS A 30 3.471 8.357 2.033 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.022 9.446 0.503 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.293 7.883 0.814 1.00 0.00 H new ATOM 0 HG CYS A 30 0.110 10.196 2.911 1.00 0.00 H new ATOM 411 N GLU A 31 3.780 10.573 3.090 1.00 0.00 N ATOM 412 CA GLU A 31 4.042 11.815 3.808 1.00 0.00 C ATOM 413 C GLU A 31 3.316 12.986 3.153 1.00 0.00 C ATOM 414 O GLU A 31 3.189 13.046 1.930 1.00 0.00 O ATOM 415 CB GLU A 31 5.546 12.095 3.856 1.00 0.00 C ATOM 416 CG GLU A 31 5.903 13.382 4.579 1.00 0.00 C ATOM 417 CD GLU A 31 7.264 13.319 5.245 1.00 0.00 C ATOM 418 OE1 GLU A 31 7.575 12.280 5.863 1.00 0.00 O ATOM 419 OE2 GLU A 31 8.018 14.310 5.147 1.00 0.00 O ATOM 0 H GLU A 31 4.539 10.269 2.480 1.00 0.00 H new ATOM 0 HA GLU A 31 3.668 11.702 4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.047 11.261 4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.931 12.142 2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.888 14.209 3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.144 13.594 5.332 1.00 0.00 H new ATOM 426 N LEU A 32 2.842 13.915 3.976 1.00 0.00 N ATOM 427 CA LEU A 32 2.128 15.086 3.478 1.00 0.00 C ATOM 428 C LEU A 32 2.782 16.373 3.969 1.00 0.00 C ATOM 429 O LEU A 32 3.383 16.405 5.043 1.00 0.00 O ATOM 430 CB LEU A 32 0.665 15.042 3.923 1.00 0.00 C ATOM 431 CG LEU A 32 -0.298 15.948 3.154 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.318 15.577 1.679 1.00 0.00 C ATOM 433 CD2 LEU A 32 -1.697 15.865 3.746 1.00 0.00 C ATOM 0 H LEU A 32 2.939 13.880 4.991 1.00 0.00 H new ATOM 0 HA LEU A 32 2.171 15.071 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.311 14.014 3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.619 15.309 4.979 1.00 0.00 H new ATOM 0 HG LEU A 32 0.052 16.976 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.009 16.232 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.683 15.690 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.642 14.542 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.368 16.516 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.056 14.838 3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.670 16.182 4.789 1.00 0.00 H new ATOM 445 N SER A 33 2.660 17.433 3.176 1.00 0.00 N ATOM 446 CA SER A 33 3.241 18.723 3.530 1.00 0.00 C ATOM 447 C SER A 33 2.451 19.385 4.654 1.00 0.00 C ATOM 448 O SER A 33 3.011 20.098 5.487 1.00 0.00 O ATOM 449 CB SER A 33 3.277 19.642 2.307 1.00 0.00 C ATOM 450 OG SER A 33 2.088 20.406 2.208 1.00 0.00 O ATOM 0 H SER A 33 2.164 17.424 2.285 1.00 0.00 H new ATOM 0 HA SER A 33 4.260 18.552 3.878 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.137 20.309 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.406 19.046 1.404 1.00 0.00 H new ATOM 0 HG SER A 33 2.137 20.986 1.420 1.00 0.00 H new ATOM 456 N LYS A 34 1.145 19.143 4.673 1.00 0.00 N ATOM 457 CA LYS A 34 0.275 19.713 5.695 1.00 0.00 C ATOM 458 C LYS A 34 -0.727 18.678 6.195 1.00 0.00 C ATOM 459 O LYS A 34 -1.358 17.978 5.404 1.00 0.00 O ATOM 460 CB LYS A 34 -0.468 20.931 5.140 1.00 0.00 C ATOM 461 CG LYS A 34 -1.722 21.285 5.919 1.00 0.00 C ATOM 462 CD LYS A 34 -1.387 21.841 7.293 1.00 0.00 C ATOM 463 CE LYS A 34 -2.634 22.320 8.020 1.00 0.00 C ATOM 464 NZ LYS A 34 -2.300 23.045 9.277 1.00 0.00 N ATOM 0 H LYS A 34 0.665 18.555 3.991 1.00 0.00 H new ATOM 0 HA LYS A 34 0.897 20.025 6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.205 21.788 5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.738 20.740 4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.303 22.019 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.347 20.398 6.027 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.891 21.073 7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.684 22.668 7.191 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.207 22.975 7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.270 21.466 8.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.177 23.355 9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.775 22.412 9.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.714 23.875 9.054 1.00 0.00 H new ATOM 478 N ALA A 35 -0.869 18.588 7.514 1.00 0.00 N ATOM 479 CA ALA A 35 -1.798 17.641 8.119 1.00 0.00 C ATOM 480 C ALA A 35 -3.221 17.877 7.627 1.00 0.00 C ATOM 481 O ALA A 35 -3.942 18.719 8.163 1.00 0.00 O ATOM 482 CB ALA A 35 -1.738 17.741 9.636 1.00 0.00 C ATOM 0 H ALA A 35 -0.353 19.159 8.183 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.501 16.636 7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.436 17.029 10.075 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.727 17.515 9.976 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.007 18.751 9.945 1.00 0.00 H new ATOM 488 N ALA A 36 -3.621 17.129 6.604 1.00 0.00 N ATOM 489 CA ALA A 36 -4.959 17.256 6.041 1.00 0.00 C ATOM 490 C ALA A 36 -5.579 15.887 5.784 1.00 0.00 C ATOM 491 O ALA A 36 -4.886 14.876 5.675 1.00 0.00 O ATOM 492 CB ALA A 36 -4.915 18.068 4.755 1.00 0.00 C ATOM 0 H ALA A 36 -3.037 16.428 6.148 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.584 17.778 6.766 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.921 18.155 4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.522 19.062 4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.270 17.569 4.031 1.00 0.00 H new ATOM 498 N PRO A 37 -6.916 15.851 5.686 1.00 0.00 N ATOM 499 CA PRO A 37 -7.659 14.611 5.441 1.00 0.00 C ATOM 500 C PRO A 37 -7.443 14.075 4.030 1.00 0.00 C ATOM 501 O PRO A 37 -7.981 14.613 3.061 1.00 0.00 O ATOM 502 CB PRO A 37 -9.119 15.028 5.637 1.00 0.00 C ATOM 503 CG PRO A 37 -9.138 16.490 5.349 1.00 0.00 C ATOM 504 CD PRO A 37 -7.806 17.018 5.805 1.00 0.00 C ATOM 0 HA PRO A 37 -7.339 13.806 6.103 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.780 14.483 4.963 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.457 14.820 6.652 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.289 16.677 4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.955 16.982 5.878 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.468 17.846 5.182 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.850 17.387 6.830 1.00 0.00 H new ATOM 512 N VAL A 38 -6.652 13.012 3.920 1.00 0.00 N ATOM 513 CA VAL A 38 -6.366 12.402 2.627 1.00 0.00 C ATOM 514 C VAL A 38 -7.401 11.338 2.281 1.00 0.00 C ATOM 515 O VAL A 38 -8.054 10.783 3.164 1.00 0.00 O ATOM 516 CB VAL A 38 -4.964 11.766 2.604 1.00 0.00 C ATOM 517 CG1 VAL A 38 -3.909 12.784 3.010 1.00 0.00 C ATOM 518 CG2 VAL A 38 -4.918 10.547 3.513 1.00 0.00 C ATOM 0 H VAL A 38 -6.198 12.556 4.711 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.407 13.199 1.885 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.748 11.441 1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.925 12.316 2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.927 13.624 2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.118 13.142 4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.920 10.110 3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.155 10.846 4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.646 9.811 3.172 1.00 0.00 H new ATOM 528 N GLU A 39 -7.545 11.058 0.989 1.00 0.00 N ATOM 529 CA GLU A 39 -8.501 10.059 0.526 1.00 0.00 C ATOM 530 C GLU A 39 -7.785 8.887 -0.138 1.00 0.00 C ATOM 531 O GLU A 39 -6.862 9.078 -0.930 1.00 0.00 O ATOM 532 CB GLU A 39 -9.494 10.687 -0.454 1.00 0.00 C ATOM 533 CG GLU A 39 -10.771 9.882 -0.627 1.00 0.00 C ATOM 534 CD GLU A 39 -11.842 10.266 0.375 1.00 0.00 C ATOM 535 OE1 GLU A 39 -11.641 10.018 1.582 1.00 0.00 O ATOM 536 OE2 GLU A 39 -12.882 10.813 -0.048 1.00 0.00 O ATOM 0 H GLU A 39 -7.012 11.509 0.245 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.045 9.685 1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.750 11.688 -0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.011 10.800 -1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.154 10.028 -1.637 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.544 8.821 -0.522 1.00 0.00 H new ATOM 543 N TRP A 40 -8.217 7.675 0.190 1.00 0.00 N ATOM 544 CA TRP A 40 -7.617 6.471 -0.374 1.00 0.00 C ATOM 545 C TRP A 40 -8.545 5.829 -1.399 1.00 0.00 C ATOM 546 O TRP A 40 -9.760 5.781 -1.205 1.00 0.00 O ATOM 547 CB TRP A 40 -7.292 5.470 0.736 1.00 0.00 C ATOM 548 CG TRP A 40 -6.176 5.917 1.632 1.00 0.00 C ATOM 549 CD1 TRP A 40 -6.277 6.734 2.721 1.00 0.00 C ATOM 550 CD2 TRP A 40 -4.792 5.573 1.512 1.00 0.00 C ATOM 551 NE1 TRP A 40 -5.039 6.919 3.287 1.00 0.00 N ATOM 552 CE2 TRP A 40 -4.111 6.216 2.564 1.00 0.00 C ATOM 553 CE3 TRP A 40 -4.061 4.783 0.621 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -2.736 6.093 2.746 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.697 4.662 0.802 1.00 0.00 C ATOM 556 CH2 TRP A 40 -2.046 5.313 1.858 1.00 0.00 C ATOM 0 H TRP A 40 -8.980 7.500 0.843 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.693 6.757 -0.877 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.186 5.302 1.337 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -7.026 4.513 0.286 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.195 7.171 3.084 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.843 7.487 4.111 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.554 4.276 -0.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.232 6.595 3.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.123 4.055 0.118 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.978 5.197 1.974 1.00 0.00 H new ATOM 567 N ARG A 41 -7.966 5.337 -2.489 1.00 0.00 N ATOM 568 CA ARG A 41 -8.743 4.698 -3.545 1.00 0.00 C ATOM 569 C ARG A 41 -8.044 3.439 -4.049 1.00 0.00 C ATOM 570 O ARG A 41 -6.816 3.383 -4.118 1.00 0.00 O ATOM 571 CB ARG A 41 -8.964 5.671 -4.704 1.00 0.00 C ATOM 572 CG ARG A 41 -9.917 6.808 -4.372 1.00 0.00 C ATOM 573 CD ARG A 41 -9.636 8.037 -5.222 1.00 0.00 C ATOM 574 NE ARG A 41 -10.495 9.161 -4.860 1.00 0.00 N ATOM 575 CZ ARG A 41 -11.799 9.201 -5.113 1.00 0.00 C ATOM 576 NH1 ARG A 41 -12.390 8.185 -5.725 1.00 0.00 N ATOM 577 NH2 ARG A 41 -12.513 10.259 -4.752 1.00 0.00 N ATOM 0 H ARG A 41 -6.962 5.368 -2.664 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.710 4.413 -3.129 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.003 6.089 -5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.353 5.120 -5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.945 6.481 -4.532 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.825 7.065 -3.317 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.592 8.327 -5.106 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.784 7.792 -6.274 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.071 9.959 -4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.844 7.370 -6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.391 8.218 -5.918 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.061 11.042 -4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.514 10.289 -4.946 1.00 0.00 H new ATOM 591 N LYS A 42 -8.834 2.431 -4.401 1.00 0.00 N ATOM 592 CA LYS A 42 -8.292 1.172 -4.900 1.00 0.00 C ATOM 593 C LYS A 42 -8.345 1.123 -6.423 1.00 0.00 C ATOM 594 O LYS A 42 -7.660 0.318 -7.052 1.00 0.00 O ATOM 595 CB LYS A 42 -9.068 -0.009 -4.313 1.00 0.00 C ATOM 596 CG LYS A 42 -8.818 -1.321 -5.037 1.00 0.00 C ATOM 597 CD LYS A 42 -9.451 -2.492 -4.305 1.00 0.00 C ATOM 598 CE LYS A 42 -8.740 -3.798 -4.621 1.00 0.00 C ATOM 599 NZ LYS A 42 -9.573 -4.982 -4.274 1.00 0.00 N ATOM 0 H LYS A 42 -9.852 2.461 -4.350 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.250 1.104 -4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.797 -0.125 -3.264 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.134 0.216 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.221 -1.262 -6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.745 -1.487 -5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.420 -2.310 -3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.502 -2.572 -4.584 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.490 -3.828 -5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.800 -3.842 -4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.521 -5.680 -5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.220 -5.409 -3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.561 -4.685 -4.142 1.00 0.00 H new ATOM 613 N GLY A 43 -9.163 1.991 -7.011 1.00 0.00 N ATOM 614 CA GLY A 43 -9.289 2.030 -8.456 1.00 0.00 C ATOM 615 C GLY A 43 -10.516 2.797 -8.911 1.00 0.00 C ATOM 616 O GLY A 43 -10.412 3.939 -9.359 1.00 0.00 O ATOM 0 H GLY A 43 -9.741 2.668 -6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.398 2.490 -8.883 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.338 1.011 -8.841 1.00 0.00 H new ATOM 620 N HIS A 44 -11.681 2.167 -8.797 1.00 0.00 N ATOM 621 CA HIS A 44 -12.933 2.797 -9.201 1.00 0.00 C ATOM 622 C HIS A 44 -13.854 2.994 -8.001 1.00 0.00 C ATOM 623 O HIS A 44 -15.062 2.778 -8.093 1.00 0.00 O ATOM 624 CB HIS A 44 -13.634 1.952 -10.264 1.00 0.00 C ATOM 625 CG HIS A 44 -12.745 1.569 -11.407 1.00 0.00 C ATOM 626 ND1 HIS A 44 -12.738 2.239 -12.612 1.00 0.00 N ATOM 627 CD2 HIS A 44 -11.830 0.579 -11.524 1.00 0.00 C ATOM 628 CE1 HIS A 44 -11.857 1.677 -13.421 1.00 0.00 C ATOM 629 NE2 HIS A 44 -11.292 0.667 -12.784 1.00 0.00 N ATOM 0 H HIS A 44 -11.784 1.221 -8.428 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.700 3.775 -9.622 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -14.023 1.047 -9.798 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -14.490 2.505 -10.650 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.571 -0.146 -10.767 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.637 1.990 -14.431 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.573 0.053 -13.166 1.00 0.00 H new ATOM 638 N GLU A 45 -13.275 3.404 -6.877 1.00 0.00 N ATOM 639 CA GLU A 45 -14.045 3.627 -5.659 1.00 0.00 C ATOM 640 C GLU A 45 -13.173 4.246 -4.570 1.00 0.00 C ATOM 641 O GLU A 45 -11.954 4.342 -4.714 1.00 0.00 O ATOM 642 CB GLU A 45 -14.646 2.311 -5.160 1.00 0.00 C ATOM 643 CG GLU A 45 -15.710 2.495 -4.091 1.00 0.00 C ATOM 644 CD GLU A 45 -16.759 1.400 -4.118 1.00 0.00 C ATOM 645 OE1 GLU A 45 -17.729 1.529 -4.894 1.00 0.00 O ATOM 646 OE2 GLU A 45 -16.610 0.416 -3.364 1.00 0.00 O ATOM 0 H GLU A 45 -12.276 3.588 -6.785 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.853 4.321 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.080 1.776 -6.005 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.848 1.684 -4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.235 2.514 -3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.195 3.461 -4.229 1.00 0.00 H new ATOM 653 N THR A 46 -13.807 4.665 -3.479 1.00 0.00 N ATOM 654 CA THR A 46 -13.091 5.276 -2.366 1.00 0.00 C ATOM 655 C THR A 46 -13.257 4.458 -1.091 1.00 0.00 C ATOM 656 O THR A 46 -14.375 4.242 -0.620 1.00 0.00 O ATOM 657 CB THR A 46 -13.578 6.714 -2.107 1.00 0.00 C ATOM 658 OG1 THR A 46 -13.382 7.516 -3.277 1.00 0.00 O ATOM 659 CG2 THR A 46 -12.837 7.333 -0.932 1.00 0.00 C ATOM 0 H THR A 46 -14.815 4.592 -3.343 1.00 0.00 H new ATOM 0 HA THR A 46 -12.037 5.302 -2.643 1.00 0.00 H new ATOM 0 HB THR A 46 -14.641 6.676 -1.867 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.696 8.428 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.198 8.348 -0.768 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.012 6.737 -0.036 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.769 7.358 -1.148 1.00 0.00 H new ATOM 667 N LEU A 47 -12.139 4.005 -0.534 1.00 0.00 N ATOM 668 CA LEU A 47 -12.160 3.211 0.689 1.00 0.00 C ATOM 669 C LEU A 47 -12.693 4.029 1.861 1.00 0.00 C ATOM 670 O LEU A 47 -12.624 5.258 1.855 1.00 0.00 O ATOM 671 CB LEU A 47 -10.756 2.695 1.009 1.00 0.00 C ATOM 672 CG LEU A 47 -10.092 1.841 -0.072 1.00 0.00 C ATOM 673 CD1 LEU A 47 -8.633 1.584 0.273 1.00 0.00 C ATOM 674 CD2 LEU A 47 -10.840 0.528 -0.249 1.00 0.00 C ATOM 0 H LEU A 47 -11.206 4.174 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.825 2.362 0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.114 3.552 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.806 2.109 1.927 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.130 2.387 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.176 0.975 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.104 2.534 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.572 1.059 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.353 -0.067 -1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.834 -0.024 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -11.870 0.733 -0.543 1.00 0.00 H new ATOM 686 N ARG A 48 -13.223 3.339 2.865 1.00 0.00 N ATOM 687 CA ARG A 48 -13.766 4.001 4.045 1.00 0.00 C ATOM 688 C ARG A 48 -13.427 3.222 5.311 1.00 0.00 C ATOM 689 O ARG A 48 -13.408 1.991 5.308 1.00 0.00 O ATOM 690 CB ARG A 48 -15.283 4.152 3.917 1.00 0.00 C ATOM 691 CG ARG A 48 -15.721 4.851 2.640 1.00 0.00 C ATOM 692 CD ARG A 48 -17.200 5.203 2.676 1.00 0.00 C ATOM 693 NE ARG A 48 -17.523 6.097 3.785 1.00 0.00 N ATOM 694 CZ ARG A 48 -17.831 5.673 5.006 1.00 0.00 C ATOM 695 NH1 ARG A 48 -17.857 4.375 5.273 1.00 0.00 N ATOM 696 NH2 ARG A 48 -18.113 6.549 5.962 1.00 0.00 N ATOM 0 H ARG A 48 -13.288 2.321 2.885 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.313 4.990 4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.742 3.164 3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.657 4.712 4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.133 5.758 2.501 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.520 4.207 1.784 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.483 5.675 1.735 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.788 4.289 2.764 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.511 7.102 3.613 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -17.640 3.699 4.540 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -18.094 4.052 6.211 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.093 7.549 5.760 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.349 6.223 6.899 1.00 0.00 H new ATOM 710 N ASP A 49 -13.159 3.947 6.392 1.00 0.00 N ATOM 711 CA ASP A 49 -12.820 3.323 7.666 1.00 0.00 C ATOM 712 C ASP A 49 -13.969 2.456 8.169 1.00 0.00 C ATOM 713 O ASP A 49 -14.906 2.950 8.796 1.00 0.00 O ATOM 714 CB ASP A 49 -12.478 4.392 8.706 1.00 0.00 C ATOM 715 CG ASP A 49 -13.376 5.609 8.602 1.00 0.00 C ATOM 716 OD1 ASP A 49 -14.480 5.585 9.187 1.00 0.00 O ATOM 717 OD2 ASP A 49 -12.976 6.586 7.936 1.00 0.00 O ATOM 0 H ASP A 49 -13.170 4.967 6.411 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.949 2.686 7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.565 3.964 9.705 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.440 4.698 8.580 1.00 0.00 H new ATOM 722 N GLY A 50 -13.891 1.158 7.888 1.00 0.00 N ATOM 723 CA GLY A 50 -14.932 0.242 8.319 1.00 0.00 C ATOM 724 C GLY A 50 -14.440 -0.748 9.355 1.00 0.00 C ATOM 725 O GLY A 50 -14.125 -0.371 10.484 1.00 0.00 O ATOM 0 H GLY A 50 -13.126 0.725 7.370 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.765 0.811 8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -15.315 -0.301 7.455 1.00 0.00 H new ATOM 729 N ASP A 51 -14.375 -2.019 8.972 1.00 0.00 N ATOM 730 CA ASP A 51 -13.919 -3.067 9.877 1.00 0.00 C ATOM 731 C ASP A 51 -12.566 -3.617 9.434 1.00 0.00 C ATOM 732 O ASP A 51 -11.595 -3.587 10.190 1.00 0.00 O ATOM 733 CB ASP A 51 -14.947 -4.198 9.941 1.00 0.00 C ATOM 734 CG ASP A 51 -16.143 -3.845 10.803 1.00 0.00 C ATOM 735 OD1 ASP A 51 -15.936 -3.324 11.919 1.00 0.00 O ATOM 736 OD2 ASP A 51 -17.285 -4.091 10.363 1.00 0.00 O ATOM 0 H ASP A 51 -14.632 -2.348 8.041 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.807 -2.632 10.870 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.287 -4.434 8.932 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.471 -5.096 10.335 1.00 0.00 H new ATOM 741 N ARG A 52 -12.512 -4.120 8.205 1.00 0.00 N ATOM 742 CA ARG A 52 -11.280 -4.679 7.662 1.00 0.00 C ATOM 743 C ARG A 52 -10.303 -3.571 7.278 1.00 0.00 C ATOM 744 O ARG A 52 -9.122 -3.623 7.622 1.00 0.00 O ATOM 745 CB ARG A 52 -11.584 -5.551 6.442 1.00 0.00 C ATOM 746 CG ARG A 52 -11.912 -6.993 6.791 1.00 0.00 C ATOM 747 CD ARG A 52 -13.391 -7.169 7.099 1.00 0.00 C ATOM 748 NE ARG A 52 -13.861 -8.514 6.780 1.00 0.00 N ATOM 749 CZ ARG A 52 -15.061 -8.973 7.117 1.00 0.00 C ATOM 750 NH1 ARG A 52 -15.908 -8.199 7.781 1.00 0.00 N ATOM 751 NH2 ARG A 52 -15.415 -10.210 6.790 1.00 0.00 N ATOM 0 H ARG A 52 -13.307 -4.152 7.567 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.819 -5.295 8.434 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.423 -5.118 5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.725 -5.535 5.771 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.632 -7.642 5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.320 -7.304 7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.568 -6.964 8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.969 -6.439 6.532 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.233 -9.136 6.270 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.639 -7.248 8.034 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.829 -8.554 8.038 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.765 -10.808 6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.337 -10.562 7.049 1.00 0.00 H new ATOM 765 N HIS A 53 -10.805 -2.570 6.562 1.00 0.00 N ATOM 766 CA HIS A 53 -9.977 -1.449 6.131 1.00 0.00 C ATOM 767 C HIS A 53 -9.799 -0.438 7.260 1.00 0.00 C ATOM 768 O HIS A 53 -10.685 -0.266 8.097 1.00 0.00 O ATOM 769 CB HIS A 53 -10.600 -0.766 4.913 1.00 0.00 C ATOM 770 CG HIS A 53 -10.405 -1.524 3.636 1.00 0.00 C ATOM 771 ND1 HIS A 53 -11.279 -2.495 3.196 1.00 0.00 N ATOM 772 CD2 HIS A 53 -9.428 -1.447 2.702 1.00 0.00 C ATOM 773 CE1 HIS A 53 -10.848 -2.984 2.047 1.00 0.00 C ATOM 774 NE2 HIS A 53 -9.727 -2.365 1.725 1.00 0.00 N ATOM 0 H HIS A 53 -11.780 -2.512 6.268 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.996 -1.838 5.858 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.668 -0.633 5.088 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.169 0.229 4.805 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.573 -0.787 2.721 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.331 -3.758 1.469 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.173 -2.540 0.887 1.00 0.00 H new ATOM 783 N SER A 54 -8.649 0.227 7.278 1.00 0.00 N ATOM 784 CA SER A 54 -8.353 1.217 8.307 1.00 0.00 C ATOM 785 C SER A 54 -7.703 2.456 7.698 1.00 0.00 C ATOM 786 O SER A 54 -6.533 2.432 7.315 1.00 0.00 O ATOM 787 CB SER A 54 -7.435 0.616 9.373 1.00 0.00 C ATOM 788 OG SER A 54 -7.981 -0.579 9.902 1.00 0.00 O ATOM 0 H SER A 54 -7.906 0.098 6.591 1.00 0.00 H new ATOM 0 HA SER A 54 -9.293 1.514 8.773 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.456 0.412 8.940 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.284 1.337 10.176 1.00 0.00 H new ATOM 0 HG SER A 54 -7.374 -0.944 10.580 1.00 0.00 H new ATOM 794 N LEU A 55 -8.470 3.537 7.613 1.00 0.00 N ATOM 795 CA LEU A 55 -7.970 4.787 7.051 1.00 0.00 C ATOM 796 C LEU A 55 -7.738 5.822 8.147 1.00 0.00 C ATOM 797 O LEU A 55 -8.687 6.392 8.687 1.00 0.00 O ATOM 798 CB LEU A 55 -8.956 5.334 6.017 1.00 0.00 C ATOM 799 CG LEU A 55 -9.219 4.443 4.803 1.00 0.00 C ATOM 800 CD1 LEU A 55 -10.233 3.362 5.144 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.700 5.276 3.624 1.00 0.00 C ATOM 0 H LEU A 55 -9.440 3.573 7.926 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.017 4.582 6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.906 5.524 6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.584 6.296 5.663 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.284 3.959 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.408 2.738 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.849 2.747 5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.170 3.826 5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.882 4.625 2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.624 5.788 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.939 6.012 3.364 1.00 0.00 H new ATOM 813 N ARG A 56 -6.471 6.061 8.469 1.00 0.00 N ATOM 814 CA ARG A 56 -6.115 7.029 9.499 1.00 0.00 C ATOM 815 C ARG A 56 -4.902 7.853 9.075 1.00 0.00 C ATOM 816 O ARG A 56 -4.300 7.596 8.034 1.00 0.00 O ATOM 817 CB ARG A 56 -5.822 6.315 10.820 1.00 0.00 C ATOM 818 CG ARG A 56 -4.682 5.314 10.732 1.00 0.00 C ATOM 819 CD ARG A 56 -4.124 4.983 12.107 1.00 0.00 C ATOM 820 NE ARG A 56 -3.263 6.046 12.619 1.00 0.00 N ATOM 821 CZ ARG A 56 -2.484 5.911 13.686 1.00 0.00 C ATOM 822 NH1 ARG A 56 -2.457 4.764 14.351 1.00 0.00 N ATOM 823 NH2 ARG A 56 -1.729 6.925 14.090 1.00 0.00 N ATOM 0 H ARG A 56 -5.674 5.598 8.032 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.961 7.703 9.637 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.583 7.059 11.580 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.723 5.799 11.152 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.034 4.401 10.252 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.888 5.719 10.104 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.947 4.817 12.802 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.559 4.052 12.054 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.260 6.941 12.130 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.036 3.982 14.043 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.858 4.663 15.170 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.747 7.809 13.581 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.131 6.821 14.910 1.00 0.00 H new ATOM 837 N GLN A 57 -4.552 8.843 9.890 1.00 0.00 N ATOM 838 CA GLN A 57 -3.413 9.705 9.598 1.00 0.00 C ATOM 839 C GLN A 57 -3.037 10.541 10.817 1.00 0.00 C ATOM 840 O GLN A 57 -3.890 10.882 11.635 1.00 0.00 O ATOM 841 CB GLN A 57 -3.729 10.621 8.414 1.00 0.00 C ATOM 842 CG GLN A 57 -4.358 11.944 8.820 1.00 0.00 C ATOM 843 CD GLN A 57 -4.534 12.890 7.648 1.00 0.00 C ATOM 844 OE1 GLN A 57 -5.638 13.364 7.378 1.00 0.00 O ATOM 845 NE2 GLN A 57 -3.443 13.171 6.945 1.00 0.00 N ATOM 0 H GLN A 57 -5.040 9.068 10.757 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.566 9.070 9.340 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.810 10.819 7.863 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.403 10.101 7.733 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.329 11.755 9.279 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.735 12.421 9.577 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.548 12.756 7.204 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.500 13.802 6.146 1.00 0.00 H new ATOM 854 N ASP A 58 -1.754 10.868 10.930 1.00 0.00 N ATOM 855 CA ASP A 58 -1.264 11.665 12.049 1.00 0.00 C ATOM 856 C ASP A 58 -0.134 12.589 11.605 1.00 0.00 C ATOM 857 O ASP A 58 0.685 12.223 10.763 1.00 0.00 O ATOM 858 CB ASP A 58 -0.781 10.755 13.179 1.00 0.00 C ATOM 859 CG ASP A 58 -0.960 11.384 14.547 1.00 0.00 C ATOM 860 OD1 ASP A 58 -2.084 11.318 15.088 1.00 0.00 O ATOM 861 OD2 ASP A 58 0.023 11.943 15.075 1.00 0.00 O ATOM 0 H ASP A 58 -1.035 10.594 10.261 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.088 12.278 12.414 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.328 9.813 13.141 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.272 10.519 13.026 1.00 0.00 H new ATOM 866 N GLY A 59 -0.098 13.789 12.177 1.00 0.00 N ATOM 867 CA GLY A 59 0.935 14.746 11.826 1.00 0.00 C ATOM 868 C GLY A 59 1.343 14.651 10.369 1.00 0.00 C ATOM 869 O GLY A 59 2.474 14.279 10.057 1.00 0.00 O ATOM 0 H GLY A 59 -0.765 14.115 12.876 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.578 15.754 12.035 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.809 14.580 12.456 1.00 0.00 H new ATOM 873 N SER A 60 0.420 14.987 9.474 1.00 0.00 N ATOM 874 CA SER A 60 0.688 14.933 8.042 1.00 0.00 C ATOM 875 C SER A 60 1.252 13.572 7.646 1.00 0.00 C ATOM 876 O SER A 60 2.086 13.471 6.747 1.00 0.00 O ATOM 877 CB SER A 60 1.666 16.039 7.642 1.00 0.00 C ATOM 878 OG SER A 60 1.330 17.267 8.265 1.00 0.00 O ATOM 0 H SER A 60 -0.520 15.300 9.715 1.00 0.00 H new ATOM 0 HA SER A 60 -0.254 15.084 7.515 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.679 15.751 7.922 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.657 16.163 6.559 1.00 0.00 H new ATOM 0 HG SER A 60 1.971 17.957 7.995 1.00 0.00 H new ATOM 884 N ARG A 61 0.790 12.527 8.325 1.00 0.00 N ATOM 885 CA ARG A 61 1.249 11.171 8.046 1.00 0.00 C ATOM 886 C ARG A 61 0.068 10.241 7.785 1.00 0.00 C ATOM 887 O ARG A 61 -0.601 9.794 8.717 1.00 0.00 O ATOM 888 CB ARG A 61 2.081 10.641 9.215 1.00 0.00 C ATOM 889 CG ARG A 61 3.103 9.592 8.809 1.00 0.00 C ATOM 890 CD ARG A 61 3.419 8.647 9.958 1.00 0.00 C ATOM 891 NE ARG A 61 2.484 7.527 10.017 1.00 0.00 N ATOM 892 CZ ARG A 61 2.329 6.756 11.087 1.00 0.00 C ATOM 893 NH1 ARG A 61 3.041 6.983 12.182 1.00 0.00 N ATOM 894 NH2 ARG A 61 1.458 5.755 11.064 1.00 0.00 N ATOM 0 H ARG A 61 0.099 12.593 9.072 1.00 0.00 H new ATOM 0 HA ARG A 61 1.871 11.201 7.151 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.598 11.475 9.690 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.412 10.214 9.962 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.723 9.022 7.961 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.018 10.083 8.478 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.434 8.266 9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.387 9.196 10.899 1.00 0.00 H new ATOM 0 HE ARG A 61 1.919 7.326 9.192 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.711 7.752 12.205 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.919 6.389 13.002 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.907 5.577 10.224 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.339 5.163 11.886 1.00 0.00 H new ATOM 908 N CYS A 62 -0.181 9.953 6.512 1.00 0.00 N ATOM 909 CA CYS A 62 -1.282 9.077 6.128 1.00 0.00 C ATOM 910 C CYS A 62 -0.820 7.626 6.050 1.00 0.00 C ATOM 911 O CYS A 62 0.275 7.339 5.567 1.00 0.00 O ATOM 912 CB CYS A 62 -1.863 9.513 4.782 1.00 0.00 C ATOM 913 SG CYS A 62 -1.702 11.283 4.447 1.00 0.00 S ATOM 0 H CYS A 62 0.364 10.313 5.729 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.057 9.152 6.891 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.366 8.957 3.987 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.918 9.242 4.749 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.453 11.572 4.233 1.00 0.00 H new ATOM 919 N GLU A 63 -1.662 6.715 6.529 1.00 0.00 N ATOM 920 CA GLU A 63 -1.337 5.294 6.516 1.00 0.00 C ATOM 921 C GLU A 63 -2.595 4.450 6.328 1.00 0.00 C ATOM 922 O GLU A 63 -3.501 4.471 7.162 1.00 0.00 O ATOM 923 CB GLU A 63 -0.633 4.896 7.815 1.00 0.00 C ATOM 924 CG GLU A 63 0.245 3.664 7.678 1.00 0.00 C ATOM 925 CD GLU A 63 1.313 3.586 8.752 1.00 0.00 C ATOM 926 OE1 GLU A 63 2.048 4.579 8.932 1.00 0.00 O ATOM 927 OE2 GLU A 63 1.412 2.531 9.414 1.00 0.00 O ATOM 0 H GLU A 63 -2.573 6.936 6.930 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.666 5.109 5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.022 5.731 8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.384 4.713 8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.378 2.771 7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.721 3.669 6.697 1.00 0.00 H new ATOM 934 N LEU A 64 -2.644 3.710 5.226 1.00 0.00 N ATOM 935 CA LEU A 64 -3.791 2.859 4.926 1.00 0.00 C ATOM 936 C LEU A 64 -3.501 1.407 5.291 1.00 0.00 C ATOM 937 O LEU A 64 -2.344 0.992 5.350 1.00 0.00 O ATOM 938 CB LEU A 64 -4.154 2.962 3.444 1.00 0.00 C ATOM 939 CG LEU A 64 -5.171 1.943 2.929 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.544 2.212 3.524 1.00 0.00 C ATOM 941 CD2 LEU A 64 -5.232 1.970 1.409 1.00 0.00 C ATOM 0 H LEU A 64 -1.903 3.682 4.525 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.634 3.203 5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.544 3.962 3.255 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.240 2.861 2.859 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.850 0.949 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.255 1.477 3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.490 2.140 4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.873 3.212 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.961 1.238 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.528 2.964 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.251 1.727 1.001 1.00 0.00 H new ATOM 953 N GLN A 65 -4.560 0.640 5.531 1.00 0.00 N ATOM 954 CA GLN A 65 -4.418 -0.767 5.888 1.00 0.00 C ATOM 955 C GLN A 65 -5.529 -1.602 5.260 1.00 0.00 C ATOM 956 O GLN A 65 -6.682 -1.176 5.203 1.00 0.00 O ATOM 957 CB GLN A 65 -4.436 -0.933 7.409 1.00 0.00 C ATOM 958 CG GLN A 65 -3.869 -2.262 7.882 1.00 0.00 C ATOM 959 CD GLN A 65 -3.460 -2.235 9.341 1.00 0.00 C ATOM 960 OE1 GLN A 65 -4.059 -1.529 10.153 1.00 0.00 O ATOM 961 NE2 GLN A 65 -2.434 -3.006 9.683 1.00 0.00 N ATOM 0 H GLN A 65 -5.524 0.969 5.485 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.461 -1.120 5.503 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.865 -0.122 7.862 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.462 -0.838 7.765 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.613 -3.044 7.731 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.005 -2.522 7.271 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.966 -3.575 8.978 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.114 -3.029 10.651 1.00 0.00 H new ATOM 970 N ILE A 66 -5.173 -2.793 4.790 1.00 0.00 N ATOM 971 CA ILE A 66 -6.140 -3.688 4.167 1.00 0.00 C ATOM 972 C ILE A 66 -6.049 -5.091 4.757 1.00 0.00 C ATOM 973 O ILE A 66 -5.412 -5.976 4.185 1.00 0.00 O ATOM 974 CB ILE A 66 -5.931 -3.769 2.643 1.00 0.00 C ATOM 975 CG1 ILE A 66 -6.050 -2.379 2.015 1.00 0.00 C ATOM 976 CG2 ILE A 66 -6.938 -4.725 2.021 1.00 0.00 C ATOM 977 CD1 ILE A 66 -5.455 -2.290 0.627 1.00 0.00 C ATOM 0 H ILE A 66 -4.222 -3.160 4.829 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.128 -3.275 4.368 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.929 -4.150 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.102 -2.099 1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.555 -1.654 2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.778 -4.772 0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.810 -5.719 2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.949 -4.370 2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.575 -1.277 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.395 -2.539 0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.966 -2.991 -0.034 1.00 0.00 H new ATOM 989 N ARG A 67 -6.693 -5.288 5.903 1.00 0.00 N ATOM 990 CA ARG A 67 -6.686 -6.584 6.570 1.00 0.00 C ATOM 991 C ARG A 67 -6.973 -7.708 5.578 1.00 0.00 C ATOM 992 O ARG A 67 -7.663 -7.507 4.580 1.00 0.00 O ATOM 993 CB ARG A 67 -7.721 -6.608 7.696 1.00 0.00 C ATOM 994 CG ARG A 67 -7.324 -7.489 8.870 1.00 0.00 C ATOM 995 CD ARG A 67 -8.544 -8.074 9.564 1.00 0.00 C ATOM 996 NE ARG A 67 -9.292 -7.060 10.303 1.00 0.00 N ATOM 997 CZ ARG A 67 -10.272 -7.344 11.154 1.00 0.00 C ATOM 998 NH1 ARG A 67 -10.621 -8.604 11.372 1.00 0.00 N ATOM 999 NH2 ARG A 67 -10.905 -6.365 11.789 1.00 0.00 N ATOM 0 H ARG A 67 -7.226 -4.567 6.389 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.694 -6.740 6.994 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.880 -5.591 8.054 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.673 -6.958 7.296 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.681 -8.296 8.519 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.743 -6.906 9.584 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.196 -8.537 8.823 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.229 -8.862 10.248 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.049 -6.080 10.158 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.137 -9.359 10.886 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.374 -8.819 12.026 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.639 -5.394 11.624 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.657 -6.584 12.442 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.437 -8.892 5.861 1.00 0.00 N ATOM 1014 CA GLY A 68 -6.646 -10.029 4.985 1.00 0.00 C ATOM 1015 C GLY A 68 -6.466 -9.675 3.522 1.00 0.00 C ATOM 1016 O GLY A 68 -7.443 -9.533 2.785 1.00 0.00 O ATOM 0 H GLY A 68 -5.862 -9.083 6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.948 -10.823 5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.651 -10.423 5.139 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.215 -9.530 3.100 1.00 0.00 N ATOM 1021 CA LEU A 69 -4.909 -9.187 1.715 1.00 0.00 C ATOM 1022 C LEU A 69 -5.500 -10.217 0.757 1.00 0.00 C ATOM 1023 O LEU A 69 -6.165 -11.162 1.179 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.396 -9.096 1.514 1.00 0.00 C ATOM 1025 CG LEU A 69 -2.756 -7.745 1.835 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.260 -7.903 2.061 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -3.026 -6.749 0.717 1.00 0.00 C ATOM 0 H LEU A 69 -4.396 -9.645 3.697 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.357 -8.217 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.921 -9.857 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.172 -9.344 0.477 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.202 -7.361 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.822 -6.931 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.088 -8.583 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.797 -8.308 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.563 -5.793 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.607 -7.127 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.101 -6.613 0.603 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.251 -10.026 -0.534 1.00 0.00 N ATOM 1040 CA ALA A 70 -5.755 -10.940 -1.552 1.00 0.00 C ATOM 1041 C ALA A 70 -5.184 -10.602 -2.925 1.00 0.00 C ATOM 1042 O ALA A 70 -4.719 -9.486 -3.157 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.276 -10.904 -1.588 1.00 0.00 C ATOM 0 H ALA A 70 -4.704 -9.247 -0.900 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.432 -11.948 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.638 -11.591 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.670 -11.202 -0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.611 -9.893 -1.821 1.00 0.00 H new ATOM 1049 N VAL A 71 -5.221 -11.573 -3.832 1.00 0.00 N ATOM 1050 CA VAL A 71 -4.707 -11.377 -5.183 1.00 0.00 C ATOM 1051 C VAL A 71 -5.446 -10.249 -5.894 1.00 0.00 C ATOM 1052 O VAL A 71 -4.858 -9.506 -6.680 1.00 0.00 O ATOM 1053 CB VAL A 71 -4.828 -12.664 -6.021 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -4.428 -12.401 -7.465 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -3.981 -13.774 -5.418 1.00 0.00 C ATOM 0 H VAL A 71 -5.601 -12.503 -3.656 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.654 -11.113 -5.086 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.869 -12.987 -6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.520 -13.322 -8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.082 -11.640 -7.891 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.396 -12.053 -7.499 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.079 -14.676 -6.023 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.936 -13.463 -5.396 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.320 -13.980 -4.403 1.00 0.00 H new ATOM 1065 N VAL A 72 -6.740 -10.127 -5.613 1.00 0.00 N ATOM 1066 CA VAL A 72 -7.560 -9.088 -6.224 1.00 0.00 C ATOM 1067 C VAL A 72 -7.176 -7.707 -5.704 1.00 0.00 C ATOM 1068 O VAL A 72 -7.461 -6.692 -6.338 1.00 0.00 O ATOM 1069 CB VAL A 72 -9.058 -9.326 -5.958 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.508 -10.641 -6.575 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.343 -9.304 -4.464 1.00 0.00 C ATOM 0 H VAL A 72 -7.242 -10.735 -4.966 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.378 -9.132 -7.298 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.625 -8.521 -6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.569 -10.792 -6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.340 -10.614 -7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.937 -11.461 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.406 -9.474 -4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.767 -10.088 -3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.060 -8.334 -4.054 1.00 0.00 H new ATOM 1081 N ASP A 73 -6.526 -7.677 -4.545 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.101 -6.421 -3.939 1.00 0.00 C ATOM 1083 C ASP A 73 -4.827 -5.903 -4.599 1.00 0.00 C ATOM 1084 O ASP A 73 -4.486 -4.727 -4.477 1.00 0.00 O ATOM 1085 CB ASP A 73 -5.874 -6.605 -2.438 1.00 0.00 C ATOM 1086 CG ASP A 73 -7.129 -6.347 -1.627 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -7.825 -5.350 -1.912 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -7.415 -7.141 -0.706 1.00 0.00 O ATOM 0 H ASP A 73 -6.282 -8.508 -4.007 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.892 -5.687 -4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.524 -7.620 -2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.086 -5.929 -2.107 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.125 -6.791 -5.297 1.00 0.00 N ATOM 1094 CA ALA A 74 -2.889 -6.424 -5.976 1.00 0.00 C ATOM 1095 C ALA A 74 -3.174 -5.824 -7.349 1.00 0.00 C ATOM 1096 O ALA A 74 -3.400 -6.547 -8.318 1.00 0.00 O ATOM 1097 CB ALA A 74 -1.979 -7.636 -6.107 1.00 0.00 C ATOM 0 H ALA A 74 -4.392 -7.769 -5.407 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.384 -5.667 -5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.059 -7.347 -6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.740 -8.020 -5.115 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.485 -8.410 -6.684 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.164 -4.496 -7.423 1.00 0.00 N ATOM 1104 CA GLY A 75 -3.424 -3.822 -8.682 1.00 0.00 C ATOM 1105 C GLY A 75 -2.809 -2.437 -8.735 1.00 0.00 C ATOM 1106 O GLY A 75 -1.686 -2.269 -9.208 1.00 0.00 O ATOM 0 H GLY A 75 -2.981 -3.876 -6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.029 -4.423 -9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.501 -3.744 -8.834 1.00 0.00 H new ATOM 1110 N GLU A 76 -3.548 -1.444 -8.251 1.00 0.00 N ATOM 1111 CA GLU A 76 -3.068 -0.067 -8.248 1.00 0.00 C ATOM 1112 C GLU A 76 -3.942 0.812 -7.358 1.00 0.00 C ATOM 1113 O GLU A 76 -5.129 0.998 -7.624 1.00 0.00 O ATOM 1114 CB GLU A 76 -3.048 0.492 -9.673 1.00 0.00 C ATOM 1115 CG GLU A 76 -2.724 1.975 -9.740 1.00 0.00 C ATOM 1116 CD GLU A 76 -2.036 2.363 -11.035 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -2.572 2.035 -12.114 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -0.962 2.997 -10.968 1.00 0.00 O ATOM 0 H GLU A 76 -4.480 -1.567 -7.856 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.054 -0.063 -7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.313 -0.059 -10.260 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.020 0.320 -10.136 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.644 2.549 -9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.084 2.242 -8.899 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.345 1.349 -6.299 1.00 0.00 N ATOM 1126 CA TYR A 77 -4.068 2.206 -5.367 1.00 0.00 C ATOM 1127 C TYR A 77 -3.689 3.670 -5.567 1.00 0.00 C ATOM 1128 O TYR A 77 -2.535 3.991 -5.848 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.779 1.784 -3.926 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.311 0.413 -3.577 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -3.552 -0.728 -3.808 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -5.573 0.257 -3.016 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -4.034 -1.983 -3.493 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -6.063 -0.995 -2.696 1.00 0.00 C ATOM 1135 CZ TYR A 77 -5.290 -2.111 -2.937 1.00 0.00 C ATOM 1136 OH TYR A 77 -5.773 -3.360 -2.619 1.00 0.00 O ATOM 0 H TYR A 77 -2.363 1.206 -6.065 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.134 2.096 -5.564 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.702 1.799 -3.761 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.215 2.517 -3.247 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.568 -0.631 -4.242 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.181 1.129 -2.827 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.431 -2.859 -3.681 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.046 -1.099 -2.260 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.169 -4.045 -2.975 1.00 0.00 H new ATOM 1146 N SER A 78 -4.671 4.554 -5.418 1.00 0.00 N ATOM 1147 CA SER A 78 -4.442 5.985 -5.584 1.00 0.00 C ATOM 1148 C SER A 78 -4.893 6.754 -4.346 1.00 0.00 C ATOM 1149 O SER A 78 -5.947 6.472 -3.776 1.00 0.00 O ATOM 1150 CB SER A 78 -5.186 6.501 -6.818 1.00 0.00 C ATOM 1151 OG SER A 78 -4.916 5.693 -7.951 1.00 0.00 O ATOM 0 H SER A 78 -5.632 4.305 -5.183 1.00 0.00 H new ATOM 0 HA SER A 78 -3.372 6.144 -5.720 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.258 6.512 -6.622 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.889 7.530 -7.022 1.00 0.00 H new ATOM 0 HG SER A 78 -5.271 6.127 -8.755 1.00 0.00 H new ATOM 1157 N CYS A 79 -4.086 7.727 -3.937 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.400 8.538 -2.766 1.00 0.00 C ATOM 1159 C CYS A 79 -4.313 10.025 -3.095 1.00 0.00 C ATOM 1160 O CYS A 79 -3.241 10.541 -3.408 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.447 8.202 -1.617 1.00 0.00 C ATOM 1162 SG CYS A 79 -3.658 9.244 -0.154 1.00 0.00 S ATOM 0 H CYS A 79 -3.210 7.973 -4.398 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.421 8.311 -2.461 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.592 7.160 -1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.420 8.295 -1.971 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.000 10.354 -0.313 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.451 10.708 -3.024 1.00 0.00 N ATOM 1169 CA VAL A 80 -5.505 12.136 -3.315 1.00 0.00 C ATOM 1170 C VAL A 80 -6.089 12.914 -2.142 1.00 0.00 C ATOM 1171 O VAL A 80 -7.117 12.533 -1.581 1.00 0.00 O ATOM 1172 CB VAL A 80 -6.345 12.421 -4.575 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -7.550 11.494 -4.634 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -6.780 13.878 -4.606 1.00 0.00 C ATOM 0 H VAL A 80 -6.348 10.296 -2.768 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.480 12.462 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.728 12.231 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.131 11.710 -5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.211 10.458 -4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.172 11.649 -3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.372 14.062 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.380 14.097 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.900 14.520 -4.615 1.00 0.00 H new ATOM 1184 N CYS A 81 -5.428 14.007 -1.776 1.00 0.00 N ATOM 1185 CA CYS A 81 -5.882 14.840 -0.668 1.00 0.00 C ATOM 1186 C CYS A 81 -6.291 16.224 -1.161 1.00 0.00 C ATOM 1187 O CYS A 81 -5.887 17.240 -0.598 1.00 0.00 O ATOM 1188 CB CYS A 81 -4.781 14.966 0.386 1.00 0.00 C ATOM 1189 SG CYS A 81 -3.288 15.799 -0.201 1.00 0.00 S ATOM 0 H CYS A 81 -4.576 14.337 -2.230 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.753 14.362 -0.219 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.175 15.511 1.244 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.514 13.969 0.737 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.518 17.074 -0.314 1.00 0.00 H new ATOM 1195 N GLY A 82 -7.096 16.256 -2.219 1.00 0.00 N ATOM 1196 CA GLY A 82 -7.546 17.520 -2.772 1.00 0.00 C ATOM 1197 C GLY A 82 -7.438 17.563 -4.283 1.00 0.00 C ATOM 1198 O GLY A 82 -8.367 17.171 -4.989 1.00 0.00 O ATOM 0 H GLY A 82 -7.445 15.429 -2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.582 17.693 -2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.955 18.331 -2.345 1.00 0.00 H new ATOM 1202 N GLN A 83 -6.303 18.043 -4.780 1.00 0.00 N ATOM 1203 CA GLN A 83 -6.079 18.138 -6.218 1.00 0.00 C ATOM 1204 C GLN A 83 -5.057 17.104 -6.680 1.00 0.00 C ATOM 1205 O GLN A 83 -5.279 16.395 -7.661 1.00 0.00 O ATOM 1206 CB GLN A 83 -5.603 19.543 -6.590 1.00 0.00 C ATOM 1207 CG GLN A 83 -6.737 20.526 -6.832 1.00 0.00 C ATOM 1208 CD GLN A 83 -7.776 19.990 -7.798 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -7.531 19.895 -9.001 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -8.945 19.638 -7.276 1.00 0.00 N ATOM 0 H GLN A 83 -5.525 18.372 -4.209 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.025 17.937 -6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.966 19.925 -5.792 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.988 19.483 -7.488 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.217 20.763 -5.882 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.328 21.458 -7.224 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.105 19.733 -6.273 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.683 19.272 -7.878 1.00 0.00 H new ATOM 1219 N GLU A 84 -3.939 17.024 -5.966 1.00 0.00 N ATOM 1220 CA GLU A 84 -2.883 16.077 -6.304 1.00 0.00 C ATOM 1221 C GLU A 84 -3.312 14.648 -5.986 1.00 0.00 C ATOM 1222 O GLU A 84 -3.783 14.360 -4.886 1.00 0.00 O ATOM 1223 CB GLU A 84 -1.599 16.417 -5.544 1.00 0.00 C ATOM 1224 CG GLU A 84 -0.704 17.405 -6.272 1.00 0.00 C ATOM 1225 CD GLU A 84 0.759 17.243 -5.910 1.00 0.00 C ATOM 1226 OE1 GLU A 84 1.055 16.482 -4.966 1.00 0.00 O ATOM 1227 OE2 GLU A 84 1.608 17.877 -6.571 1.00 0.00 O ATOM 0 H GLU A 84 -3.741 17.603 -5.150 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.693 16.151 -7.375 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.862 16.828 -4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.040 15.499 -5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.825 17.275 -7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.023 18.420 -6.036 1.00 0.00 H new ATOM 1234 N ARG A 85 -3.147 13.757 -6.958 1.00 0.00 N ATOM 1235 CA ARG A 85 -3.518 12.358 -6.783 1.00 0.00 C ATOM 1236 C ARG A 85 -2.366 11.436 -7.173 1.00 0.00 C ATOM 1237 O ARG A 85 -1.973 11.374 -8.338 1.00 0.00 O ATOM 1238 CB ARG A 85 -4.755 12.028 -7.622 1.00 0.00 C ATOM 1239 CG ARG A 85 -5.280 10.618 -7.404 1.00 0.00 C ATOM 1240 CD ARG A 85 -6.608 10.403 -8.112 1.00 0.00 C ATOM 1241 NE ARG A 85 -6.789 9.014 -8.527 1.00 0.00 N ATOM 1242 CZ ARG A 85 -7.907 8.549 -9.073 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -8.938 9.359 -9.269 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -7.995 7.273 -9.423 1.00 0.00 N ATOM 0 H ARG A 85 -2.759 13.979 -7.875 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.747 12.198 -5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.545 12.741 -7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.513 12.158 -8.677 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.550 9.896 -7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.402 10.435 -6.336 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.423 10.692 -7.449 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.662 11.052 -8.986 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.014 8.365 -8.390 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.873 10.341 -9.000 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.796 9.000 -9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.204 6.647 -9.273 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -8.854 6.917 -9.842 1.00 0.00 H new ATOM 1258 N THR A 86 -1.828 10.722 -6.189 1.00 0.00 N ATOM 1259 CA THR A 86 -0.720 9.806 -6.428 1.00 0.00 C ATOM 1260 C THR A 86 -1.219 8.379 -6.621 1.00 0.00 C ATOM 1261 O THR A 86 -2.291 8.015 -6.137 1.00 0.00 O ATOM 1262 CB THR A 86 0.291 9.831 -5.265 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.372 8.932 -5.536 1.00 0.00 O ATOM 1264 CG2 THR A 86 -0.381 9.445 -3.956 1.00 0.00 C ATOM 0 H THR A 86 -2.142 10.761 -5.219 1.00 0.00 H new ATOM 0 HA THR A 86 -0.224 10.141 -7.339 1.00 0.00 H new ATOM 0 HB THR A 86 0.678 10.846 -5.171 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.189 9.265 -5.110 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.352 9.470 -3.150 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.184 10.149 -3.738 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.793 8.439 -4.041 1.00 0.00 H new ATOM 1272 N SER A 87 -0.434 7.573 -7.330 1.00 0.00 N ATOM 1273 CA SER A 87 -0.799 6.185 -7.590 1.00 0.00 C ATOM 1274 C SER A 87 0.377 5.254 -7.311 1.00 0.00 C ATOM 1275 O SER A 87 1.522 5.694 -7.211 1.00 0.00 O ATOM 1276 CB SER A 87 -1.263 6.020 -9.038 1.00 0.00 C ATOM 1277 OG SER A 87 -0.311 6.553 -9.943 1.00 0.00 O ATOM 0 H SER A 87 0.458 7.857 -7.734 1.00 0.00 H new ATOM 0 HA SER A 87 -1.618 5.919 -6.922 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.423 4.964 -9.254 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.221 6.522 -9.176 1.00 0.00 H new ATOM 0 HG SER A 87 -0.630 6.434 -10.862 1.00 0.00 H new ATOM 1283 N ALA A 88 0.085 3.963 -7.187 1.00 0.00 N ATOM 1284 CA ALA A 88 1.116 2.968 -6.922 1.00 0.00 C ATOM 1285 C ALA A 88 0.584 1.555 -7.134 1.00 0.00 C ATOM 1286 O ALA A 88 -0.573 1.264 -6.828 1.00 0.00 O ATOM 1287 CB ALA A 88 1.651 3.126 -5.507 1.00 0.00 C ATOM 0 H ALA A 88 -0.858 3.582 -7.266 1.00 0.00 H new ATOM 0 HA ALA A 88 1.931 3.130 -7.627 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.420 2.376 -5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.079 4.122 -5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.838 2.994 -4.794 1.00 0.00 H new ATOM 1293 N THR A 89 1.435 0.680 -7.661 1.00 0.00 N ATOM 1294 CA THR A 89 1.049 -0.702 -7.915 1.00 0.00 C ATOM 1295 C THR A 89 1.256 -1.568 -6.677 1.00 0.00 C ATOM 1296 O THR A 89 2.222 -1.387 -5.935 1.00 0.00 O ATOM 1297 CB THR A 89 1.849 -1.302 -9.087 1.00 0.00 C ATOM 1298 OG1 THR A 89 1.760 -0.446 -10.230 1.00 0.00 O ATOM 1299 CG2 THR A 89 1.331 -2.688 -9.443 1.00 0.00 C ATOM 0 H THR A 89 2.396 0.904 -7.920 1.00 0.00 H new ATOM 0 HA THR A 89 -0.010 -0.692 -8.174 1.00 0.00 H new ATOM 0 HB THR A 89 2.891 -1.389 -8.779 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.273 -0.834 -10.970 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.911 -3.091 -10.273 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.428 -3.346 -8.579 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.282 -2.621 -9.732 1.00 0.00 H new ATOM 1307 N LEU A 90 0.344 -2.509 -6.460 1.00 0.00 N ATOM 1308 CA LEU A 90 0.428 -3.405 -5.312 1.00 0.00 C ATOM 1309 C LEU A 90 0.645 -4.847 -5.760 1.00 0.00 C ATOM 1310 O LEU A 90 0.032 -5.309 -6.723 1.00 0.00 O ATOM 1311 CB LEU A 90 -0.846 -3.307 -4.470 1.00 0.00 C ATOM 1312 CG LEU A 90 -0.750 -3.844 -3.042 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -0.418 -5.328 -3.051 1.00 0.00 C ATOM 1314 CD2 LEU A 90 0.291 -3.068 -2.249 1.00 0.00 C ATOM 0 H LEU A 90 -0.462 -2.671 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 90 1.282 -3.100 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.147 -2.260 -4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.641 -3.845 -4.986 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.718 -3.712 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.354 -5.693 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.199 -5.872 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.537 -5.484 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.346 -3.464 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.264 -3.168 -2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.010 -2.015 -2.213 1.00 0.00 H new ATOM 1326 N THR A 91 1.520 -5.555 -5.053 1.00 0.00 N ATOM 1327 CA THR A 91 1.818 -6.944 -5.377 1.00 0.00 C ATOM 1328 C THR A 91 1.387 -7.876 -4.249 1.00 0.00 C ATOM 1329 O THR A 91 1.707 -7.645 -3.083 1.00 0.00 O ATOM 1330 CB THR A 91 3.320 -7.148 -5.651 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.733 -6.328 -6.749 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.621 -8.607 -5.959 1.00 0.00 C ATOM 0 H THR A 91 2.035 -5.189 -4.252 1.00 0.00 H new ATOM 0 HA THR A 91 1.256 -7.186 -6.279 1.00 0.00 H new ATOM 0 HB THR A 91 3.872 -6.861 -4.756 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.689 -6.462 -6.916 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.688 -8.726 -6.149 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.333 -9.225 -5.109 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.059 -8.916 -6.840 1.00 0.00 H new ATOM 1340 N VAL A 92 0.660 -8.931 -4.604 1.00 0.00 N ATOM 1341 CA VAL A 92 0.187 -9.899 -3.622 1.00 0.00 C ATOM 1342 C VAL A 92 0.505 -11.325 -4.059 1.00 0.00 C ATOM 1343 O VAL A 92 -0.220 -11.914 -4.861 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.330 -9.769 -3.392 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -1.791 -10.737 -2.313 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -1.693 -8.338 -3.027 1.00 0.00 C ATOM 0 H VAL A 92 0.386 -9.137 -5.565 1.00 0.00 H new ATOM 0 HA VAL A 92 0.707 -9.684 -2.689 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.844 -10.024 -4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.866 -10.631 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.566 -11.758 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.272 -10.516 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.769 -8.265 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.171 -8.052 -2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.400 -7.670 -3.837 1.00 0.00 H new ATOM 1356 N ARG A 93 1.591 -11.873 -3.526 1.00 0.00 N ATOM 1357 CA ARG A 93 2.005 -13.230 -3.861 1.00 0.00 C ATOM 1358 C ARG A 93 1.004 -14.251 -3.329 1.00 0.00 C ATOM 1359 O ARG A 93 0.966 -14.532 -2.131 1.00 0.00 O ATOM 1360 CB ARG A 93 3.395 -13.518 -3.291 1.00 0.00 C ATOM 1361 CG ARG A 93 4.469 -12.567 -3.795 1.00 0.00 C ATOM 1362 CD ARG A 93 5.860 -13.042 -3.405 1.00 0.00 C ATOM 1363 NE ARG A 93 6.207 -14.307 -4.047 1.00 0.00 N ATOM 1364 CZ ARG A 93 7.446 -14.779 -4.119 1.00 0.00 C ATOM 1365 NH1 ARG A 93 8.452 -14.094 -3.592 1.00 0.00 N ATOM 1366 NH2 ARG A 93 7.682 -15.938 -4.720 1.00 0.00 N ATOM 0 H ARG A 93 2.201 -11.398 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 93 2.041 -13.314 -4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.352 -13.460 -2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.678 -14.540 -3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.403 -12.483 -4.880 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.296 -11.571 -3.387 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.592 -12.283 -3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.913 -13.158 -2.323 1.00 0.00 H new ATOM 0 HE ARG A 93 5.456 -14.858 -4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.275 -13.202 -3.130 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.403 -14.459 -3.649 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.911 -16.467 -5.127 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.634 -16.300 -4.775 1.00 0.00 H new ATOM 1380 N ALA A 94 0.194 -14.803 -4.227 1.00 0.00 N ATOM 1381 CA ALA A 94 -0.806 -15.793 -3.848 1.00 0.00 C ATOM 1382 C ALA A 94 -0.180 -16.922 -3.036 1.00 0.00 C ATOM 1383 O ALA A 94 0.721 -17.616 -3.509 1.00 0.00 O ATOM 1384 CB ALA A 94 -1.494 -16.349 -5.086 1.00 0.00 C ATOM 0 H ALA A 94 0.211 -14.581 -5.222 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.551 -15.300 -3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.238 -17.087 -4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.983 -15.538 -5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.754 -16.821 -5.733 1.00 0.00 H new ATOM 1390 N LEU A 95 -0.663 -17.101 -1.811 1.00 0.00 N ATOM 1391 CA LEU A 95 -0.150 -18.147 -0.932 1.00 0.00 C ATOM 1392 C LEU A 95 -0.301 -19.522 -1.576 1.00 0.00 C ATOM 1393 O LEU A 95 -1.243 -19.784 -2.324 1.00 0.00 O ATOM 1394 CB LEU A 95 -0.882 -18.116 0.410 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.509 -16.971 1.352 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -1.604 -16.750 2.384 1.00 0.00 C ATOM 1397 CD2 LEU A 95 0.821 -17.255 2.036 1.00 0.00 C ATOM 0 H LEU A 95 -1.408 -16.536 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 95 0.911 -17.960 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.953 -18.065 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.696 -19.059 0.925 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.405 -16.060 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.321 -15.931 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.537 -16.501 1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.741 -17.659 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.071 -16.430 2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.744 -18.177 2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.602 -17.362 1.283 1.00 0.00 H new ATOM 1409 N PRO A 96 0.646 -20.422 -1.277 1.00 0.00 N ATOM 1410 CA PRO A 96 0.639 -21.787 -1.813 1.00 0.00 C ATOM 1411 C PRO A 96 -0.488 -22.633 -1.230 1.00 0.00 C ATOM 1412 O PRO A 96 -0.934 -22.400 -0.107 1.00 0.00 O ATOM 1413 CB PRO A 96 2.000 -22.343 -1.388 1.00 0.00 C ATOM 1414 CG PRO A 96 2.371 -21.553 -0.180 1.00 0.00 C ATOM 1415 CD PRO A 96 1.798 -20.179 -0.392 1.00 0.00 C ATOM 0 HA PRO A 96 0.476 -21.800 -2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.940 -23.408 -1.162 1.00 0.00 H new ATOM 0 HB3 PRO A 96 2.740 -22.227 -2.180 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.967 -22.009 0.724 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.453 -21.510 -0.059 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.492 -19.722 0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.523 -19.508 -0.852 1.00 0.00 H new ATOM 1423 N ALA A 97 -0.943 -23.615 -2.001 1.00 0.00 N ATOM 1424 CA ALA A 97 -2.016 -24.498 -1.559 1.00 0.00 C ATOM 1425 C ALA A 97 -1.798 -24.949 -0.118 1.00 0.00 C ATOM 1426 O ALA A 97 -0.661 -25.102 0.329 1.00 0.00 O ATOM 1427 CB ALA A 97 -2.122 -25.703 -2.481 1.00 0.00 C ATOM 0 H ALA A 97 -0.586 -23.819 -2.934 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.952 -23.940 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.927 -26.353 -2.139 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.334 -25.367 -3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.181 -26.254 -2.470 1.00 0.00 H new ATOM 1433 N ARG A 98 -2.894 -25.159 0.603 1.00 0.00 N ATOM 1434 CA ARG A 98 -2.822 -25.591 1.994 1.00 0.00 C ATOM 1435 C ARG A 98 -3.611 -26.880 2.205 1.00 0.00 C ATOM 1436 O ARG A 98 -3.352 -27.632 3.144 1.00 0.00 O ATOM 1437 CB ARG A 98 -3.357 -24.496 2.918 1.00 0.00 C ATOM 1438 CG ARG A 98 -4.798 -24.107 2.631 1.00 0.00 C ATOM 1439 CD ARG A 98 -5.439 -23.423 3.829 1.00 0.00 C ATOM 1440 NE ARG A 98 -5.928 -24.386 4.812 1.00 0.00 N ATOM 1441 CZ ARG A 98 -6.707 -24.058 5.837 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -7.083 -22.799 6.012 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -7.111 -24.991 6.689 1.00 0.00 N ATOM 0 H ARG A 98 -3.842 -25.037 0.248 1.00 0.00 H new ATOM 0 HA ARG A 98 -1.776 -25.782 2.235 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.280 -24.835 3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.725 -23.613 2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.831 -23.441 1.769 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.371 -24.996 2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.712 -22.761 4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.266 -22.799 3.490 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.657 -25.364 4.706 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.774 -22.079 5.359 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.681 -22.550 6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.824 -25.961 6.557 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.709 -24.739 7.476 1.00 0.00 H new ATOM 1457 N PHE A 99 -4.575 -27.128 1.324 1.00 0.00 N ATOM 1458 CA PHE A 99 -5.403 -28.325 1.415 1.00 0.00 C ATOM 1459 C PHE A 99 -5.402 -29.088 0.094 1.00 0.00 C ATOM 1460 O PHE A 99 -6.061 -28.688 -0.867 1.00 0.00 O ATOM 1461 CB PHE A 99 -6.837 -27.951 1.799 1.00 0.00 C ATOM 1462 CG PHE A 99 -7.852 -28.986 1.406 1.00 0.00 C ATOM 1463 CD1 PHE A 99 -7.694 -30.309 1.783 1.00 0.00 C ATOM 1464 CD2 PHE A 99 -8.965 -28.634 0.659 1.00 0.00 C ATOM 1465 CE1 PHE A 99 -8.626 -31.263 1.421 1.00 0.00 C ATOM 1466 CE2 PHE A 99 -9.901 -29.583 0.295 1.00 0.00 C ATOM 1467 CZ PHE A 99 -9.732 -30.900 0.677 1.00 0.00 C ATOM 0 H PHE A 99 -4.802 -26.517 0.540 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.983 -28.969 2.188 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.887 -27.795 2.877 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.095 -27.003 1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.833 -30.599 2.367 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.102 -27.606 0.358 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.490 -32.292 1.720 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.764 -29.296 -0.288 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.463 -31.644 0.395 1.00 0.00 H new ATOM 1477 N ILE A 100 -4.658 -30.188 0.053 1.00 0.00 N ATOM 1478 CA ILE A 100 -4.571 -31.007 -1.149 1.00 0.00 C ATOM 1479 C ILE A 100 -4.189 -32.444 -0.809 1.00 0.00 C ATOM 1480 O ILE A 100 -3.577 -32.705 0.226 1.00 0.00 O ATOM 1481 CB ILE A 100 -3.544 -30.438 -2.145 1.00 0.00 C ATOM 1482 CG1 ILE A 100 -2.273 -30.007 -1.411 1.00 0.00 C ATOM 1483 CG2 ILE A 100 -4.143 -29.268 -2.912 1.00 0.00 C ATOM 1484 CD1 ILE A 100 -1.095 -29.771 -2.330 1.00 0.00 C ATOM 0 H ILE A 100 -4.107 -30.533 0.839 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.558 -30.995 -1.611 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.281 -31.219 -2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.477 -29.093 -0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.007 -30.772 -0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.405 -28.876 -3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.022 -29.605 -3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.431 -28.484 -2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.229 -29.468 -1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.864 -30.690 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.342 -28.984 -3.043 1.00 0.00 H new ATOM 1496 N GLU A 101 -4.555 -33.372 -1.688 1.00 0.00 N ATOM 1497 CA GLU A 101 -4.249 -34.783 -1.480 1.00 0.00 C ATOM 1498 C GLU A 101 -2.963 -35.173 -2.202 1.00 0.00 C ATOM 1499 O GLU A 101 -2.961 -35.392 -3.414 1.00 0.00 O ATOM 1500 CB GLU A 101 -5.407 -35.655 -1.969 1.00 0.00 C ATOM 1501 CG GLU A 101 -5.445 -37.032 -1.327 1.00 0.00 C ATOM 1502 CD GLU A 101 -6.646 -37.847 -1.766 1.00 0.00 C ATOM 1503 OE1 GLU A 101 -7.708 -37.737 -1.118 1.00 0.00 O ATOM 1504 OE2 GLU A 101 -6.523 -38.595 -2.758 1.00 0.00 O ATOM 0 H GLU A 101 -5.063 -33.173 -2.550 1.00 0.00 H new ATOM 0 HA GLU A 101 -4.108 -34.945 -0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -6.347 -35.143 -1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -5.333 -35.769 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.532 -37.572 -1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -5.461 -36.923 -0.243 1.00 0.00 H new ATOM 1511 N SER A 102 -1.871 -35.257 -1.450 1.00 0.00 N ATOM 1512 CA SER A 102 -0.577 -35.616 -2.018 1.00 0.00 C ATOM 1513 C SER A 102 -0.099 -36.960 -1.474 1.00 0.00 C ATOM 1514 O SER A 102 -0.499 -37.381 -0.390 1.00 0.00 O ATOM 1515 CB SER A 102 0.458 -34.532 -1.710 1.00 0.00 C ATOM 1516 OG SER A 102 0.613 -34.357 -0.313 1.00 0.00 O ATOM 0 H SER A 102 -1.856 -35.081 -0.445 1.00 0.00 H new ATOM 0 HA SER A 102 -0.693 -35.701 -3.098 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.416 -34.803 -2.154 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.150 -33.591 -2.166 1.00 0.00 H new ATOM 0 HG SER A 102 1.281 -33.660 -0.143 1.00 0.00 H new ATOM 1522 N GLY A 103 0.761 -37.628 -2.238 1.00 0.00 N ATOM 1523 CA GLY A 103 1.280 -38.916 -1.817 1.00 0.00 C ATOM 1524 C GLY A 103 2.006 -39.641 -2.933 1.00 0.00 C ATOM 1525 O GLY A 103 1.585 -40.704 -3.390 1.00 0.00 O ATOM 0 H GLY A 103 1.107 -37.300 -3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.960 -38.773 -0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 103 0.458 -39.536 -1.459 1.00 0.00 H new ATOM 1529 N PRO A 104 3.125 -39.059 -3.391 1.00 0.00 N ATOM 1530 CA PRO A 104 3.934 -39.639 -4.467 1.00 0.00 C ATOM 1531 C PRO A 104 4.656 -40.909 -4.030 1.00 0.00 C ATOM 1532 O PRO A 104 4.545 -41.333 -2.880 1.00 0.00 O ATOM 1533 CB PRO A 104 4.943 -38.533 -4.787 1.00 0.00 C ATOM 1534 CG PRO A 104 5.047 -37.740 -3.530 1.00 0.00 C ATOM 1535 CD PRO A 104 3.685 -37.792 -2.894 1.00 0.00 C ATOM 0 HA PRO A 104 3.324 -39.939 -5.319 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.909 -38.949 -5.074 1.00 0.00 H new ATOM 0 HB3 PRO A 104 4.603 -37.915 -5.618 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.804 -38.158 -2.866 1.00 0.00 H new ATOM 0 HG3 PRO A 104 5.340 -36.712 -3.740 1.00 0.00 H new ATOM 0 HD2 PRO A 104 3.749 -37.780 -1.806 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.072 -36.939 -3.187 1.00 0.00 H new ATOM 1543 N SER A 105 5.397 -41.511 -4.955 1.00 0.00 N ATOM 1544 CA SER A 105 6.135 -42.735 -4.665 1.00 0.00 C ATOM 1545 C SER A 105 7.395 -42.825 -5.521 1.00 0.00 C ATOM 1546 O SER A 105 7.326 -43.080 -6.723 1.00 0.00 O ATOM 1547 CB SER A 105 5.251 -43.959 -4.910 1.00 0.00 C ATOM 1548 OG SER A 105 6.005 -45.156 -4.835 1.00 0.00 O ATOM 0 H SER A 105 5.502 -41.171 -5.911 1.00 0.00 H new ATOM 0 HA SER A 105 6.430 -42.712 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.448 -43.985 -4.173 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.782 -43.882 -5.891 1.00 0.00 H new ATOM 0 HG SER A 105 5.417 -45.924 -4.994 1.00 0.00 H new ATOM 1554 N SER A 106 8.547 -42.613 -4.891 1.00 0.00 N ATOM 1555 CA SER A 106 9.823 -42.666 -5.595 1.00 0.00 C ATOM 1556 C SER A 106 10.192 -44.105 -5.943 1.00 0.00 C ATOM 1557 O SER A 106 9.975 -45.022 -5.153 1.00 0.00 O ATOM 1558 CB SER A 106 10.926 -42.037 -4.741 1.00 0.00 C ATOM 1559 OG SER A 106 11.004 -40.639 -4.957 1.00 0.00 O ATOM 0 H SER A 106 8.622 -42.403 -3.896 1.00 0.00 H new ATOM 0 HA SER A 106 9.723 -42.101 -6.522 1.00 0.00 H new ATOM 0 HB2 SER A 106 10.731 -42.235 -3.687 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.884 -42.499 -4.981 1.00 0.00 H new ATOM 0 HG SER A 106 11.715 -40.261 -4.399 1.00 0.00 H new ATOM 1565 N GLY A 107 10.751 -44.294 -7.135 1.00 0.00 N ATOM 1566 CA GLY A 107 11.142 -45.622 -7.569 1.00 0.00 C ATOM 1567 C GLY A 107 12.091 -46.294 -6.596 1.00 0.00 C ATOM 1568 O GLY A 107 12.621 -45.650 -5.691 1.00 0.00 O ATOM 0 H GLY A 107 10.940 -43.551 -7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.251 -46.239 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.617 -45.556 -8.548 1.00 0.00 H new TER 1572 GLY A 107