USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 799 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 58 ASN : amide:sc= 0 X(o=-3.1,f=-3.1) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -3.1! C(o=-5.3!,f=-3.1!) USER MOD Set 2.1: A 51 THR OG1 : rot 97:sc= 0.545 USER MOD Set 2.2: A 52 HIS : no HD1:sc= -1.01 K(o=-0.47,f=-13!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.536 K(o=-0.54,f=-1.5) USER MOD Single : A 16 CYS SG : rot 70:sc= 0.526 USER MOD Single : A 19 SER OG : rot -170:sc= -1.31 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 157:sc= -0.0688 (180deg=-0.722) USER MOD Single : A 29 HIS : no HD1:sc= -0.435 X(o=-0.44,f=-0.066) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -145:sc= -0.0634 (180deg=-2.03) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 71:sc= 0.287 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -2.64 X(o=-2.6,f=-2.4) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 88:sc= -0.36 USER MOD Single : A 59 THR OG1 : rot -37:sc= 0.606 USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= -0.0163 (180deg=-0.178) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -166:sc= -0.0399 (180deg=-0.238) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 88:sc= 0.162 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl 169:sc= -1.62 (180deg=-1.75) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0446 USER MOD Single : A 93 MET CE :methyl -126:sc= -0.778 (180deg=-1.53!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -140:sc= -0.305 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.167 K(o=-0.17,f=-2!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 93:sc= 0.617 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.207 8.138 -14.100 1.00 0.00 N ATOM 2 CA GLY A 1 -16.100 8.422 -12.681 1.00 0.00 C ATOM 3 C GLY A 1 -15.720 9.863 -12.405 1.00 0.00 C ATOM 4 O GLY A 1 -14.601 10.284 -12.699 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.469 7.141 -14.236 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.936 8.748 -14.522 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.293 8.322 -14.561 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.051 8.201 -12.197 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.355 7.762 -12.237 1.00 0.00 H new ATOM 8 N SER A 2 -16.653 10.622 -11.840 1.00 0.00 N ATOM 9 CA SER A 2 -16.412 12.027 -11.529 1.00 0.00 C ATOM 10 C SER A 2 -15.600 12.167 -10.245 1.00 0.00 C ATOM 11 O SER A 2 -15.843 11.464 -9.264 1.00 0.00 O ATOM 12 CB SER A 2 -17.739 12.776 -11.392 1.00 0.00 C ATOM 13 OG SER A 2 -18.340 12.983 -12.658 1.00 0.00 O ATOM 0 H SER A 2 -17.583 10.288 -11.588 1.00 0.00 H new ATOM 0 HA SER A 2 -15.841 12.463 -12.349 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.416 12.209 -10.753 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.570 13.736 -10.905 1.00 0.00 H new ATOM 0 HG SER A 2 -19.187 13.462 -12.544 1.00 0.00 H new ATOM 19 N SER A 3 -14.635 13.081 -10.260 1.00 0.00 N ATOM 20 CA SER A 3 -13.783 13.312 -9.099 1.00 0.00 C ATOM 21 C SER A 3 -14.077 14.672 -8.472 1.00 0.00 C ATOM 22 O SER A 3 -14.887 15.443 -8.986 1.00 0.00 O ATOM 23 CB SER A 3 -12.309 13.229 -9.496 1.00 0.00 C ATOM 24 OG SER A 3 -11.876 14.433 -10.105 1.00 0.00 O ATOM 0 H SER A 3 -14.424 13.673 -11.063 1.00 0.00 H new ATOM 0 HA SER A 3 -13.997 12.537 -8.363 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.702 13.026 -8.613 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.161 12.396 -10.184 1.00 0.00 H new ATOM 0 HG SER A 3 -10.930 14.355 -10.348 1.00 0.00 H new ATOM 30 N GLY A 4 -13.412 14.959 -7.357 1.00 0.00 N ATOM 31 CA GLY A 4 -13.614 16.226 -6.678 1.00 0.00 C ATOM 32 C GLY A 4 -12.394 16.664 -5.893 1.00 0.00 C ATOM 33 O GLY A 4 -12.466 16.863 -4.680 1.00 0.00 O ATOM 0 H GLY A 4 -12.737 14.337 -6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.864 16.992 -7.412 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.465 16.141 -6.003 1.00 0.00 H new ATOM 37 N SER A 5 -11.269 16.813 -6.585 1.00 0.00 N ATOM 38 CA SER A 5 -10.026 17.225 -5.944 1.00 0.00 C ATOM 39 C SER A 5 -9.477 18.494 -6.588 1.00 0.00 C ATOM 40 O SER A 5 -8.985 18.468 -7.717 1.00 0.00 O ATOM 41 CB SER A 5 -8.987 16.105 -6.029 1.00 0.00 C ATOM 42 OG SER A 5 -9.469 14.916 -5.428 1.00 0.00 O ATOM 0 H SER A 5 -11.193 16.654 -7.590 1.00 0.00 H new ATOM 0 HA SER A 5 -10.239 17.434 -4.896 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.738 15.914 -7.073 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.068 16.419 -5.535 1.00 0.00 H new ATOM 0 HG SER A 5 -8.787 14.215 -5.497 1.00 0.00 H new ATOM 48 N SER A 6 -9.564 19.605 -5.863 1.00 0.00 N ATOM 49 CA SER A 6 -9.080 20.886 -6.365 1.00 0.00 C ATOM 50 C SER A 6 -7.748 21.253 -5.719 1.00 0.00 C ATOM 51 O SER A 6 -7.691 22.089 -4.819 1.00 0.00 O ATOM 52 CB SER A 6 -10.110 21.985 -6.096 1.00 0.00 C ATOM 53 OG SER A 6 -11.234 21.849 -6.948 1.00 0.00 O ATOM 0 H SER A 6 -9.965 19.644 -4.926 1.00 0.00 H new ATOM 0 HA SER A 6 -8.930 20.794 -7.441 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.431 21.940 -5.055 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.652 22.962 -6.247 1.00 0.00 H new ATOM 0 HG SER A 6 -11.878 22.562 -6.756 1.00 0.00 H new ATOM 59 N GLY A 7 -6.676 20.621 -6.188 1.00 0.00 N ATOM 60 CA GLY A 7 -5.357 20.893 -5.646 1.00 0.00 C ATOM 61 C GLY A 7 -4.250 20.273 -6.474 1.00 0.00 C ATOM 62 O GLY A 7 -4.497 19.378 -7.283 1.00 0.00 O ATOM 0 H GLY A 7 -6.697 19.925 -6.934 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.205 21.971 -5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.301 20.511 -4.627 1.00 0.00 H new ATOM 66 N PHE A 8 -3.026 20.750 -6.275 1.00 0.00 N ATOM 67 CA PHE A 8 -1.877 20.238 -7.012 1.00 0.00 C ATOM 68 C PHE A 8 -1.216 19.088 -6.259 1.00 0.00 C ATOM 69 O PHE A 8 -0.075 18.719 -6.541 1.00 0.00 O ATOM 70 CB PHE A 8 -0.860 21.356 -7.253 1.00 0.00 C ATOM 71 CG PHE A 8 -1.431 22.540 -7.979 1.00 0.00 C ATOM 72 CD1 PHE A 8 -1.614 22.506 -9.352 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.785 23.688 -7.288 1.00 0.00 C ATOM 74 CE1 PHE A 8 -2.140 23.594 -10.023 1.00 0.00 C ATOM 75 CE2 PHE A 8 -2.312 24.779 -7.953 1.00 0.00 C ATOM 76 CZ PHE A 8 -2.489 24.732 -9.322 1.00 0.00 C ATOM 0 H PHE A 8 -2.804 21.490 -5.609 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.231 19.864 -7.973 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.461 21.686 -6.294 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.023 20.957 -7.826 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.342 21.619 -9.905 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.647 23.731 -6.218 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.278 23.554 -11.093 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.585 25.667 -7.403 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.900 25.584 -9.844 1.00 0.00 H new ATOM 86 N LYS A 9 -1.940 18.524 -5.298 1.00 0.00 N ATOM 87 CA LYS A 9 -1.427 17.415 -4.503 1.00 0.00 C ATOM 88 C LYS A 9 -2.165 16.121 -4.833 1.00 0.00 C ATOM 89 O LYS A 9 -3.348 16.139 -5.171 1.00 0.00 O ATOM 90 CB LYS A 9 -1.562 17.725 -3.010 1.00 0.00 C ATOM 91 CG LYS A 9 -0.401 18.525 -2.447 1.00 0.00 C ATOM 92 CD LYS A 9 -0.639 20.020 -2.576 1.00 0.00 C ATOM 93 CE LYS A 9 0.197 20.806 -1.577 1.00 0.00 C ATOM 94 NZ LYS A 9 1.620 20.909 -2.004 1.00 0.00 N ATOM 0 H LYS A 9 -2.885 18.817 -5.051 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.373 17.284 -4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.487 18.278 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.647 16.788 -2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.256 18.268 -1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.516 18.255 -2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.396 20.342 -3.589 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.696 20.236 -2.418 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.221 21.806 -1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.145 20.324 -0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.156 21.452 -1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.027 19.956 -2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.672 21.392 -2.924 1.00 0.00 H new ATOM 108 N VAL A 10 -1.458 15.000 -4.732 1.00 0.00 N ATOM 109 CA VAL A 10 -2.047 13.697 -5.018 1.00 0.00 C ATOM 110 C VAL A 10 -1.676 12.679 -3.945 1.00 0.00 C ATOM 111 O VAL A 10 -0.540 12.622 -3.475 1.00 0.00 O ATOM 112 CB VAL A 10 -1.596 13.166 -6.391 1.00 0.00 C ATOM 113 CG1 VAL A 10 -2.177 11.784 -6.647 1.00 0.00 C ATOM 114 CG2 VAL A 10 -1.995 14.135 -7.494 1.00 0.00 C ATOM 0 H VAL A 10 -0.477 14.968 -4.454 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.128 13.834 -5.027 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.509 13.081 -6.389 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.847 11.426 -7.622 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.835 11.097 -5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.266 11.838 -6.630 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.668 13.744 -8.458 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.078 14.254 -7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.524 15.102 -7.317 1.00 0.00 H new ATOM 124 N PRO A 11 -2.657 11.855 -3.547 1.00 0.00 N ATOM 125 CA PRO A 11 -2.458 10.823 -2.525 1.00 0.00 C ATOM 126 C PRO A 11 -1.568 9.686 -3.015 1.00 0.00 C ATOM 127 O PRO A 11 -1.448 9.433 -4.214 1.00 0.00 O ATOM 128 CB PRO A 11 -3.876 10.314 -2.254 1.00 0.00 C ATOM 129 CG PRO A 11 -4.628 10.602 -3.508 1.00 0.00 C ATOM 130 CD PRO A 11 -4.036 11.867 -4.064 1.00 0.00 C ATOM 0 HA PRO A 11 -1.956 11.216 -1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.877 9.248 -2.028 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.322 10.822 -1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.532 9.781 -4.218 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.692 10.725 -3.306 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.056 11.875 -5.154 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.583 12.748 -3.728 1.00 0.00 H new ATOM 138 N PRO A 12 -0.929 8.983 -2.069 1.00 0.00 N ATOM 139 CA PRO A 12 -0.040 7.860 -2.381 1.00 0.00 C ATOM 140 C PRO A 12 -0.800 6.648 -2.907 1.00 0.00 C ATOM 141 O PRO A 12 -0.198 5.652 -3.309 1.00 0.00 O ATOM 142 CB PRO A 12 0.613 7.540 -1.034 1.00 0.00 C ATOM 143 CG PRO A 12 -0.361 8.024 -0.016 1.00 0.00 C ATOM 144 CD PRO A 12 -1.026 9.230 -0.620 1.00 0.00 C ATOM 0 HA PRO A 12 0.673 8.110 -3.167 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.798 6.471 -0.928 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.575 8.042 -0.931 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.093 7.252 0.221 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.143 8.282 0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.063 9.321 -0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.521 10.153 -0.335 1.00 0.00 H new ATOM 152 N PHE A 13 -2.126 6.738 -2.901 1.00 0.00 N ATOM 153 CA PHE A 13 -2.968 5.647 -3.378 1.00 0.00 C ATOM 154 C PHE A 13 -3.953 6.142 -4.433 1.00 0.00 C ATOM 155 O PHE A 13 -4.960 5.490 -4.710 1.00 0.00 O ATOM 156 CB PHE A 13 -3.728 5.015 -2.210 1.00 0.00 C ATOM 157 CG PHE A 13 -2.832 4.411 -1.168 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.712 3.683 -1.536 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.109 4.571 0.180 1.00 0.00 C ATOM 160 CE1 PHE A 13 -0.884 3.126 -0.579 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.284 4.017 1.142 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.172 3.293 0.762 1.00 0.00 C ATOM 0 H PHE A 13 -2.640 7.555 -2.571 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.324 4.895 -3.833 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.355 5.774 -1.742 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.395 4.244 -2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.483 3.549 -2.583 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.979 5.135 0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.014 2.561 -0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.510 4.151 2.190 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.528 2.858 1.512 1.00 0.00 H new ATOM 172 N GLN A 14 -3.655 7.298 -5.016 1.00 0.00 N ATOM 173 CA GLN A 14 -4.515 7.881 -6.039 1.00 0.00 C ATOM 174 C GLN A 14 -4.923 6.833 -7.069 1.00 0.00 C ATOM 175 O GLN A 14 -4.082 6.301 -7.794 1.00 0.00 O ATOM 176 CB GLN A 14 -3.803 9.045 -6.732 1.00 0.00 C ATOM 177 CG GLN A 14 -4.650 9.733 -7.790 1.00 0.00 C ATOM 178 CD GLN A 14 -5.827 10.483 -7.200 1.00 0.00 C ATOM 179 OE1 GLN A 14 -6.781 9.877 -6.709 1.00 0.00 O ATOM 180 NE2 GLN A 14 -5.767 11.808 -7.243 1.00 0.00 N ATOM 0 H GLN A 14 -2.825 7.849 -4.798 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.415 8.254 -5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.508 9.778 -5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.887 8.676 -7.195 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.027 10.428 -8.353 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.016 8.989 -8.497 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.958 12.269 -7.659 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.530 12.366 -6.860 1.00 0.00 H new ATOM 189 N ASP A 15 -6.217 6.542 -7.129 1.00 0.00 N ATOM 190 CA ASP A 15 -6.737 5.557 -8.072 1.00 0.00 C ATOM 191 C ASP A 15 -6.021 4.220 -7.910 1.00 0.00 C ATOM 192 O ASP A 15 -5.768 3.518 -8.890 1.00 0.00 O ATOM 193 CB ASP A 15 -6.582 6.063 -9.507 1.00 0.00 C ATOM 194 CG ASP A 15 -7.582 5.430 -10.454 1.00 0.00 C ATOM 195 OD1 ASP A 15 -8.736 5.906 -10.504 1.00 0.00 O ATOM 196 OD2 ASP A 15 -7.211 4.460 -11.147 1.00 0.00 O ATOM 0 H ASP A 15 -6.926 6.974 -6.536 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.796 5.409 -7.860 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.706 7.146 -9.523 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.571 5.853 -9.856 1.00 0.00 H new ATOM 201 N CYS A 16 -5.696 3.875 -6.669 1.00 0.00 N ATOM 202 CA CYS A 16 -5.008 2.622 -6.379 1.00 0.00 C ATOM 203 C CYS A 16 -5.659 1.903 -5.202 1.00 0.00 C ATOM 204 O CYS A 16 -5.795 2.468 -4.116 1.00 0.00 O ATOM 205 CB CYS A 16 -3.532 2.885 -6.079 1.00 0.00 C ATOM 206 SG CYS A 16 -2.550 3.328 -7.531 1.00 0.00 S ATOM 0 H CYS A 16 -5.898 4.445 -5.848 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.084 1.982 -7.258 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.459 3.688 -5.346 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.101 1.995 -5.621 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.897 4.510 -7.945 1.00 0.00 H new ATOM 212 N ILE A 17 -6.061 0.657 -5.426 1.00 0.00 N ATOM 213 CA ILE A 17 -6.698 -0.138 -4.384 1.00 0.00 C ATOM 214 C ILE A 17 -5.684 -1.027 -3.673 1.00 0.00 C ATOM 215 O ILE A 17 -4.681 -1.437 -4.260 1.00 0.00 O ATOM 216 CB ILE A 17 -7.823 -1.020 -4.957 1.00 0.00 C ATOM 217 CG1 ILE A 17 -8.898 -0.150 -5.614 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.430 -1.883 -3.861 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.707 -0.879 -6.664 1.00 0.00 C ATOM 0 H ILE A 17 -5.957 0.176 -6.320 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.126 0.565 -3.669 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.399 -1.677 -5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.572 0.225 -4.843 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.422 0.718 -6.071 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.224 -2.501 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.659 -2.524 -3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.843 -1.243 -3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.449 -0.202 -7.087 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.044 -1.230 -7.455 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.211 -1.731 -6.208 1.00 0.00 H new ATOM 231 N LEU A 18 -5.951 -1.324 -2.405 1.00 0.00 N ATOM 232 CA LEU A 18 -5.062 -2.167 -1.613 1.00 0.00 C ATOM 233 C LEU A 18 -5.842 -3.281 -0.921 1.00 0.00 C ATOM 234 O LEU A 18 -6.823 -3.024 -0.224 1.00 0.00 O ATOM 235 CB LEU A 18 -4.321 -1.325 -0.573 1.00 0.00 C ATOM 236 CG LEU A 18 -3.408 -0.229 -1.123 1.00 0.00 C ATOM 237 CD1 LEU A 18 -2.501 -0.785 -2.210 1.00 0.00 C ATOM 238 CD2 LEU A 18 -4.232 0.933 -1.657 1.00 0.00 C ATOM 0 H LEU A 18 -6.776 -0.993 -1.904 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.336 -2.622 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.059 -0.861 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.721 -1.993 0.045 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.783 0.138 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.859 0.010 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.885 -1.584 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.109 -1.180 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.566 1.704 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.883 0.580 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.839 1.349 -0.853 1.00 0.00 H new ATOM 250 N SER A 19 -5.396 -4.518 -1.117 1.00 0.00 N ATOM 251 CA SER A 19 -6.053 -5.671 -0.513 1.00 0.00 C ATOM 252 C SER A 19 -5.195 -6.263 0.601 1.00 0.00 C ATOM 253 O SER A 19 -3.994 -6.473 0.431 1.00 0.00 O ATOM 254 CB SER A 19 -6.337 -6.736 -1.574 1.00 0.00 C ATOM 255 OG SER A 19 -5.371 -6.695 -2.609 1.00 0.00 O ATOM 0 H SER A 19 -4.583 -4.747 -1.689 1.00 0.00 H new ATOM 0 HA SER A 19 -6.997 -5.336 -0.082 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.338 -7.723 -1.112 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.331 -6.580 -1.994 1.00 0.00 H new ATOM 0 HG SER A 19 -5.659 -7.271 -3.348 1.00 0.00 H new ATOM 261 N PHE A 20 -5.821 -6.530 1.743 1.00 0.00 N ATOM 262 CA PHE A 20 -5.116 -7.097 2.887 1.00 0.00 C ATOM 263 C PHE A 20 -5.580 -8.524 3.159 1.00 0.00 C ATOM 264 O PHE A 20 -6.778 -8.791 3.259 1.00 0.00 O ATOM 265 CB PHE A 20 -5.336 -6.231 4.129 1.00 0.00 C ATOM 266 CG PHE A 20 -5.212 -4.758 3.863 1.00 0.00 C ATOM 267 CD1 PHE A 20 -3.996 -4.208 3.491 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.311 -3.923 3.986 1.00 0.00 C ATOM 269 CE1 PHE A 20 -3.879 -2.853 3.245 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.200 -2.568 3.741 1.00 0.00 C ATOM 271 CZ PHE A 20 -4.982 -2.031 3.371 1.00 0.00 C ATOM 0 H PHE A 20 -6.815 -6.363 1.901 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.052 -7.119 2.652 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.327 -6.437 4.535 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.613 -6.516 4.893 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.130 -4.845 3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.265 -4.336 4.277 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.926 -2.437 2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.065 -1.929 3.839 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.893 -0.972 3.181 1.00 0.00 H new ATOM 281 N LEU A 21 -4.623 -9.439 3.278 1.00 0.00 N ATOM 282 CA LEU A 21 -4.933 -10.840 3.538 1.00 0.00 C ATOM 283 C LEU A 21 -4.058 -11.392 4.659 1.00 0.00 C ATOM 284 O LEU A 21 -2.835 -11.446 4.536 1.00 0.00 O ATOM 285 CB LEU A 21 -4.738 -11.670 2.268 1.00 0.00 C ATOM 286 CG LEU A 21 -4.733 -13.188 2.452 1.00 0.00 C ATOM 287 CD1 LEU A 21 -6.135 -13.693 2.755 1.00 0.00 C ATOM 288 CD2 LEU A 21 -4.173 -13.874 1.214 1.00 0.00 C ATOM 0 H LEU A 21 -3.627 -9.235 3.199 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.975 -10.904 3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.530 -11.412 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.794 -11.377 1.808 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.091 -13.430 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.112 -14.775 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.500 -13.227 3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.800 -13.439 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.177 -14.954 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.789 -13.625 0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.151 -13.536 1.041 1.00 0.00 H new ATOM 300 N GLY A 22 -4.694 -11.803 5.752 1.00 0.00 N ATOM 301 CA GLY A 22 -3.958 -12.347 6.878 1.00 0.00 C ATOM 302 C GLY A 22 -4.275 -11.634 8.177 1.00 0.00 C ATOM 303 O GLY A 22 -4.668 -12.263 9.160 1.00 0.00 O ATOM 0 H GLY A 22 -5.706 -11.769 5.878 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.191 -13.407 6.983 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.889 -12.274 6.679 1.00 0.00 H new ATOM 307 N PHE A 23 -4.102 -10.316 8.184 1.00 0.00 N ATOM 308 CA PHE A 23 -4.370 -9.516 9.374 1.00 0.00 C ATOM 309 C PHE A 23 -5.752 -9.830 9.940 1.00 0.00 C ATOM 310 O PHE A 23 -6.639 -10.290 9.222 1.00 0.00 O ATOM 311 CB PHE A 23 -4.267 -8.025 9.045 1.00 0.00 C ATOM 312 CG PHE A 23 -3.145 -7.695 8.103 1.00 0.00 C ATOM 313 CD1 PHE A 23 -3.336 -7.751 6.732 1.00 0.00 C ATOM 314 CD2 PHE A 23 -1.900 -7.329 8.588 1.00 0.00 C ATOM 315 CE1 PHE A 23 -2.305 -7.447 5.861 1.00 0.00 C ATOM 316 CE2 PHE A 23 -0.867 -7.023 7.723 1.00 0.00 C ATOM 317 CZ PHE A 23 -1.069 -7.084 6.358 1.00 0.00 C ATOM 0 H PHE A 23 -3.778 -9.780 7.379 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.623 -9.767 10.127 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.208 -7.692 8.607 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.130 -7.466 9.970 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.301 -8.035 6.339 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.735 -7.282 9.654 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.467 -7.494 4.794 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.098 -6.736 8.114 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.262 -6.848 5.681 1.00 0.00 H new ATOM 327 N SER A 24 -5.925 -9.578 11.234 1.00 0.00 N ATOM 328 CA SER A 24 -7.197 -9.837 11.899 1.00 0.00 C ATOM 329 C SER A 24 -8.248 -8.815 11.477 1.00 0.00 C ATOM 330 O SER A 24 -7.931 -7.658 11.203 1.00 0.00 O ATOM 331 CB SER A 24 -7.018 -9.804 13.418 1.00 0.00 C ATOM 332 OG SER A 24 -6.674 -11.084 13.919 1.00 0.00 O ATOM 0 H SER A 24 -5.201 -9.195 11.842 1.00 0.00 H new ATOM 0 HA SER A 24 -7.539 -10.828 11.602 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.240 -9.086 13.680 1.00 0.00 H new ATOM 0 HB3 SER A 24 -7.940 -9.462 13.889 1.00 0.00 H new ATOM 0 HG SER A 24 -6.564 -11.036 14.892 1.00 0.00 H new ATOM 338 N ASP A 25 -9.502 -9.252 11.428 1.00 0.00 N ATOM 339 CA ASP A 25 -10.602 -8.377 11.041 1.00 0.00 C ATOM 340 C ASP A 25 -10.411 -6.977 11.616 1.00 0.00 C ATOM 341 O ASP A 25 -10.899 -5.995 11.058 1.00 0.00 O ATOM 342 CB ASP A 25 -11.935 -8.958 11.514 1.00 0.00 C ATOM 343 CG ASP A 25 -12.420 -10.090 10.629 1.00 0.00 C ATOM 344 OD1 ASP A 25 -12.015 -11.247 10.870 1.00 0.00 O ATOM 345 OD2 ASP A 25 -13.204 -9.820 9.697 1.00 0.00 O ATOM 0 H ASP A 25 -9.782 -10.207 11.652 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.611 -8.306 9.953 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.828 -9.320 12.536 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.686 -8.168 11.533 1.00 0.00 H new ATOM 350 N GLU A 26 -9.699 -6.895 12.735 1.00 0.00 N ATOM 351 CA GLU A 26 -9.445 -5.615 13.387 1.00 0.00 C ATOM 352 C GLU A 26 -8.312 -4.866 12.692 1.00 0.00 C ATOM 353 O GLU A 26 -8.493 -3.742 12.225 1.00 0.00 O ATOM 354 CB GLU A 26 -9.101 -5.827 14.862 1.00 0.00 C ATOM 355 CG GLU A 26 -10.223 -6.468 15.662 1.00 0.00 C ATOM 356 CD GLU A 26 -11.451 -5.584 15.758 1.00 0.00 C ATOM 357 OE1 GLU A 26 -11.391 -4.561 16.472 1.00 0.00 O ATOM 358 OE2 GLU A 26 -12.471 -5.914 15.119 1.00 0.00 O ATOM 0 H GLU A 26 -9.288 -7.699 13.209 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.352 -5.015 13.316 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.212 -6.453 14.933 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.850 -4.865 15.310 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.498 -7.416 15.200 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.864 -6.695 16.666 1.00 0.00 H new ATOM 365 N GLU A 27 -7.144 -5.498 12.628 1.00 0.00 N ATOM 366 CA GLU A 27 -5.981 -4.890 11.992 1.00 0.00 C ATOM 367 C GLU A 27 -6.288 -4.511 10.546 1.00 0.00 C ATOM 368 O GLU A 27 -5.882 -3.451 10.070 1.00 0.00 O ATOM 369 CB GLU A 27 -4.789 -5.848 12.037 1.00 0.00 C ATOM 370 CG GLU A 27 -4.023 -5.804 13.349 1.00 0.00 C ATOM 371 CD GLU A 27 -3.031 -6.943 13.483 1.00 0.00 C ATOM 372 OE1 GLU A 27 -3.472 -8.104 13.608 1.00 0.00 O ATOM 373 OE2 GLU A 27 -1.811 -6.673 13.463 1.00 0.00 O ATOM 0 H GLU A 27 -6.978 -6.430 13.008 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.730 -3.983 12.542 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.144 -6.865 11.867 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.109 -5.607 11.220 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.493 -4.855 13.424 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.729 -5.842 14.179 1.00 0.00 H new ATOM 380 N LYS A 28 -7.008 -5.386 9.851 1.00 0.00 N ATOM 381 CA LYS A 28 -7.371 -5.145 8.460 1.00 0.00 C ATOM 382 C LYS A 28 -8.285 -3.930 8.339 1.00 0.00 C ATOM 383 O LYS A 28 -7.974 -3.017 7.576 1.00 0.00 O ATOM 384 CB LYS A 28 -8.062 -6.377 7.871 1.00 0.00 C ATOM 385 CG LYS A 28 -8.309 -6.279 6.376 1.00 0.00 C ATOM 386 CD LYS A 28 -9.657 -5.647 6.073 1.00 0.00 C ATOM 387 CE LYS A 28 -10.756 -6.694 5.982 1.00 0.00 C ATOM 388 NZ LYS A 28 -11.382 -6.959 7.307 1.00 0.00 N ATOM 0 H LYS A 28 -7.352 -6.269 10.229 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.456 -4.947 7.901 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.451 -7.257 8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.015 -6.527 8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.518 -5.689 5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.265 -7.274 5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.905 -4.925 6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.599 -5.096 5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.520 -6.359 5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.342 -7.621 5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.336 -7.350 7.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.801 -7.641 7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.447 -6.071 7.844 1.00 0.00 H new ATOM 402 N HIS A 29 -9.380 -3.944 9.086 1.00 0.00 N ATOM 403 CA HIS A 29 -10.322 -2.839 9.053 1.00 0.00 C ATOM 404 C HIS A 29 -9.560 -1.513 9.086 1.00 0.00 C ATOM 405 O HIS A 29 -9.670 -0.674 8.192 1.00 0.00 O ATOM 406 CB HIS A 29 -11.345 -2.964 10.183 1.00 0.00 C ATOM 407 CG HIS A 29 -12.457 -1.943 10.121 1.00 0.00 C ATOM 408 ND1 HIS A 29 -13.528 -1.947 10.997 1.00 0.00 N ATOM 409 CD2 HIS A 29 -12.651 -0.886 9.281 1.00 0.00 C ATOM 410 CE1 HIS A 29 -14.325 -0.935 10.688 1.00 0.00 C ATOM 411 NE2 HIS A 29 -13.780 -0.279 9.624 1.00 0.00 N ATOM 0 H HIS A 29 -9.635 -4.703 9.717 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.890 -2.868 8.123 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.781 -3.963 10.156 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.829 -2.867 11.138 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -11.997 -0.593 8.473 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.245 -0.675 11.191 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -14.175 0.543 9.167 1.00 0.00 H new ATOM 419 N SER A 30 -8.778 -1.342 10.147 1.00 0.00 N ATOM 420 CA SER A 30 -7.989 -0.128 10.327 1.00 0.00 C ATOM 421 C SER A 30 -7.325 0.287 9.018 1.00 0.00 C ATOM 422 O SER A 30 -7.315 1.465 8.662 1.00 0.00 O ATOM 423 CB SER A 30 -6.925 -0.342 11.406 1.00 0.00 C ATOM 424 OG SER A 30 -6.623 0.872 12.072 1.00 0.00 O ATOM 0 H SER A 30 -8.674 -2.028 10.895 1.00 0.00 H new ATOM 0 HA SER A 30 -8.661 0.670 10.642 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.278 -1.079 12.128 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.020 -0.747 10.953 1.00 0.00 H new ATOM 0 HG SER A 30 -5.942 0.708 12.758 1.00 0.00 H new ATOM 430 N MET A 31 -6.772 -0.689 8.307 1.00 0.00 N ATOM 431 CA MET A 31 -6.106 -0.426 7.036 1.00 0.00 C ATOM 432 C MET A 31 -7.107 0.045 5.985 1.00 0.00 C ATOM 433 O MET A 31 -6.852 1.004 5.258 1.00 0.00 O ATOM 434 CB MET A 31 -5.385 -1.681 6.543 1.00 0.00 C ATOM 435 CG MET A 31 -4.410 -2.259 7.557 1.00 0.00 C ATOM 436 SD MET A 31 -3.972 -3.972 7.200 1.00 0.00 S ATOM 437 CE MET A 31 -2.339 -3.763 6.495 1.00 0.00 C ATOM 0 H MET A 31 -6.771 -1.669 8.589 1.00 0.00 H new ATOM 0 HA MET A 31 -5.374 0.365 7.196 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.125 -2.440 6.290 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.845 -1.444 5.626 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.505 -1.652 7.572 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.850 -2.200 8.553 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.185 -4.502 5.709 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.250 -2.762 6.074 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.587 -3.898 7.273 1.00 0.00 H new ATOM 447 N GLU A 32 -8.247 -0.637 5.913 1.00 0.00 N ATOM 448 CA GLU A 32 -9.285 -0.288 4.950 1.00 0.00 C ATOM 449 C GLU A 32 -9.658 1.188 5.063 1.00 0.00 C ATOM 450 O GLU A 32 -9.558 1.939 4.095 1.00 0.00 O ATOM 451 CB GLU A 32 -10.525 -1.157 5.166 1.00 0.00 C ATOM 452 CG GLU A 32 -10.231 -2.648 5.162 1.00 0.00 C ATOM 453 CD GLU A 32 -11.426 -3.477 4.733 1.00 0.00 C ATOM 454 OE1 GLU A 32 -12.482 -3.381 5.393 1.00 0.00 O ATOM 455 OE2 GLU A 32 -11.306 -4.221 3.737 1.00 0.00 O ATOM 0 H GLU A 32 -8.474 -1.433 6.509 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.893 -0.470 3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.985 -0.888 6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.253 -0.937 4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.395 -2.848 4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.919 -2.956 6.160 1.00 0.00 H new ATOM 462 N GLU A 33 -10.089 1.593 6.254 1.00 0.00 N ATOM 463 CA GLU A 33 -10.479 2.977 6.493 1.00 0.00 C ATOM 464 C GLU A 33 -9.320 3.927 6.204 1.00 0.00 C ATOM 465 O GLU A 33 -9.509 4.993 5.619 1.00 0.00 O ATOM 466 CB GLU A 33 -10.950 3.155 7.938 1.00 0.00 C ATOM 467 CG GLU A 33 -12.321 2.557 8.210 1.00 0.00 C ATOM 468 CD GLU A 33 -13.450 3.512 7.874 1.00 0.00 C ATOM 469 OE1 GLU A 33 -13.235 4.739 7.960 1.00 0.00 O ATOM 470 OE2 GLU A 33 -14.549 3.032 7.526 1.00 0.00 O ATOM 0 H GLU A 33 -10.177 0.983 7.067 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.300 3.218 5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.223 2.695 8.607 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.973 4.219 8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.437 1.643 7.627 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.389 2.275 9.261 1.00 0.00 H new ATOM 477 N MET A 34 -8.122 3.532 6.620 1.00 0.00 N ATOM 478 CA MET A 34 -6.932 4.347 6.405 1.00 0.00 C ATOM 479 C MET A 34 -6.766 4.688 4.928 1.00 0.00 C ATOM 480 O MET A 34 -6.673 5.859 4.557 1.00 0.00 O ATOM 481 CB MET A 34 -5.688 3.616 6.915 1.00 0.00 C ATOM 482 CG MET A 34 -4.462 4.508 7.027 1.00 0.00 C ATOM 483 SD MET A 34 -4.341 5.323 8.631 1.00 0.00 S ATOM 484 CE MET A 34 -3.505 4.062 9.589 1.00 0.00 C ATOM 0 H MET A 34 -7.949 2.653 7.108 1.00 0.00 H new ATOM 0 HA MET A 34 -7.053 5.276 6.962 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.905 3.186 7.893 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.464 2.786 6.244 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.566 3.910 6.859 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.494 5.263 6.242 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.357 4.418 10.609 1.00 0.00 H new ATOM 0 HE2 MET A 34 -4.111 3.156 9.605 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.537 3.844 9.137 1.00 0.00 H new ATOM 494 N THR A 35 -6.728 3.659 4.088 1.00 0.00 N ATOM 495 CA THR A 35 -6.572 3.850 2.651 1.00 0.00 C ATOM 496 C THR A 35 -7.403 5.029 2.160 1.00 0.00 C ATOM 497 O THR A 35 -6.925 5.857 1.386 1.00 0.00 O ATOM 498 CB THR A 35 -6.980 2.587 1.869 1.00 0.00 C ATOM 499 OG1 THR A 35 -6.232 1.458 2.336 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.745 2.775 0.378 1.00 0.00 C ATOM 0 H THR A 35 -6.803 2.684 4.378 1.00 0.00 H new ATOM 0 HA THR A 35 -5.516 4.054 2.472 1.00 0.00 H new ATOM 0 HB THR A 35 -8.043 2.412 2.035 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.543 1.207 3.231 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.040 1.870 -0.154 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.338 3.617 0.019 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.688 2.973 0.198 1.00 0.00 H new ATOM 508 N GLU A 36 -8.650 5.099 2.616 1.00 0.00 N ATOM 509 CA GLU A 36 -9.548 6.178 2.221 1.00 0.00 C ATOM 510 C GLU A 36 -9.041 7.523 2.735 1.00 0.00 C ATOM 511 O GLU A 36 -9.024 8.512 2.003 1.00 0.00 O ATOM 512 CB GLU A 36 -10.959 5.917 2.750 1.00 0.00 C ATOM 513 CG GLU A 36 -11.827 5.112 1.798 1.00 0.00 C ATOM 514 CD GLU A 36 -13.301 5.188 2.145 1.00 0.00 C ATOM 515 OE1 GLU A 36 -13.753 4.385 2.989 1.00 0.00 O ATOM 516 OE2 GLU A 36 -14.002 6.049 1.575 1.00 0.00 O ATOM 0 H GLU A 36 -9.061 4.422 3.259 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.577 6.212 1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.889 5.388 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.445 6.872 2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.678 5.476 0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.507 4.070 1.814 1.00 0.00 H new ATOM 523 N MET A 37 -8.630 7.550 3.998 1.00 0.00 N ATOM 524 CA MET A 37 -8.122 8.772 4.610 1.00 0.00 C ATOM 525 C MET A 37 -6.960 9.342 3.803 1.00 0.00 C ATOM 526 O MET A 37 -6.872 10.552 3.595 1.00 0.00 O ATOM 527 CB MET A 37 -7.675 8.500 6.048 1.00 0.00 C ATOM 528 CG MET A 37 -8.807 8.069 6.965 1.00 0.00 C ATOM 529 SD MET A 37 -8.365 8.172 8.710 1.00 0.00 S ATOM 530 CE MET A 37 -9.367 6.853 9.392 1.00 0.00 C ATOM 0 H MET A 37 -8.639 6.740 4.618 1.00 0.00 H new ATOM 0 HA MET A 37 -8.928 9.506 4.620 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.909 7.725 6.041 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.213 9.401 6.453 1.00 0.00 H new ATOM 0 HG2 MET A 37 -9.679 8.695 6.778 1.00 0.00 H new ATOM 0 HG3 MET A 37 -9.093 7.044 6.726 1.00 0.00 H new ATOM 0 HE1 MET A 37 -9.203 6.791 10.468 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.420 7.057 9.196 1.00 0.00 H new ATOM 0 HE3 MET A 37 -9.089 5.907 8.927 1.00 0.00 H new ATOM 540 N GLN A 38 -6.071 8.463 3.351 1.00 0.00 N ATOM 541 CA GLN A 38 -4.915 8.880 2.568 1.00 0.00 C ATOM 542 C GLN A 38 -5.337 9.346 1.178 1.00 0.00 C ATOM 543 O GLN A 38 -4.872 10.373 0.688 1.00 0.00 O ATOM 544 CB GLN A 38 -3.911 7.732 2.450 1.00 0.00 C ATOM 545 CG GLN A 38 -3.528 7.119 3.788 1.00 0.00 C ATOM 546 CD GLN A 38 -3.104 8.159 4.806 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.610 9.229 4.449 1.00 0.00 O ATOM 548 NE2 GLN A 38 -3.294 7.849 6.083 1.00 0.00 N ATOM 0 H GLN A 38 -6.130 7.458 3.514 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.442 9.716 3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.333 6.956 1.811 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.011 8.097 1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.374 6.555 4.181 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.714 6.409 3.639 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.707 6.951 6.334 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.027 8.509 6.813 1.00 0.00 H new ATOM 557 N GLY A 39 -6.224 8.581 0.547 1.00 0.00 N ATOM 558 CA GLY A 39 -6.694 8.931 -0.780 1.00 0.00 C ATOM 559 C GLY A 39 -6.751 7.735 -1.709 1.00 0.00 C ATOM 560 O GLY A 39 -6.401 7.835 -2.884 1.00 0.00 O ATOM 0 H GLY A 39 -6.625 7.726 0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.686 9.376 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.036 9.688 -1.207 1.00 0.00 H new ATOM 564 N GLY A 40 -7.194 6.598 -1.181 1.00 0.00 N ATOM 565 CA GLY A 40 -7.287 5.393 -1.985 1.00 0.00 C ATOM 566 C GLY A 40 -8.530 4.584 -1.676 1.00 0.00 C ATOM 567 O GLY A 40 -9.402 5.033 -0.932 1.00 0.00 O ATOM 0 H GLY A 40 -7.490 6.490 -0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.287 5.664 -3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.404 4.777 -1.814 1.00 0.00 H new ATOM 571 N SER A 41 -8.614 3.388 -2.250 1.00 0.00 N ATOM 572 CA SER A 41 -9.764 2.516 -2.036 1.00 0.00 C ATOM 573 C SER A 41 -9.322 1.153 -1.514 1.00 0.00 C ATOM 574 O SER A 41 -8.138 0.816 -1.549 1.00 0.00 O ATOM 575 CB SER A 41 -10.550 2.346 -3.337 1.00 0.00 C ATOM 576 OG SER A 41 -11.289 3.515 -3.644 1.00 0.00 O ATOM 0 H SER A 41 -7.900 3.000 -2.867 1.00 0.00 H new ATOM 0 HA SER A 41 -10.408 2.981 -1.289 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.863 2.121 -4.153 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.228 1.497 -3.248 1.00 0.00 H new ATOM 0 HG SER A 41 -11.781 3.381 -4.481 1.00 0.00 H new ATOM 582 N TYR A 42 -10.281 0.373 -1.029 1.00 0.00 N ATOM 583 CA TYR A 42 -9.992 -0.953 -0.496 1.00 0.00 C ATOM 584 C TYR A 42 -11.071 -1.952 -0.905 1.00 0.00 C ATOM 585 O TYR A 42 -12.265 -1.684 -0.771 1.00 0.00 O ATOM 586 CB TYR A 42 -9.883 -0.900 1.029 1.00 0.00 C ATOM 587 CG TYR A 42 -11.133 -0.387 1.708 1.00 0.00 C ATOM 588 CD1 TYR A 42 -12.218 -1.224 1.935 1.00 0.00 C ATOM 589 CD2 TYR A 42 -11.227 0.936 2.124 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.362 -0.758 2.554 1.00 0.00 C ATOM 591 CE2 TYR A 42 -12.366 1.409 2.746 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.431 0.559 2.958 1.00 0.00 C ATOM 593 OH TYR A 42 -14.568 1.026 3.577 1.00 0.00 O ATOM 0 H TYR A 42 -11.266 0.636 -0.994 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.040 -1.284 -0.911 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.660 -1.899 1.404 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -9.043 -0.262 1.303 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.167 -2.256 1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.396 1.605 1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.198 -1.421 2.721 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.422 2.439 3.065 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.454 1.974 3.799 1.00 0.00 H new ATOM 603 N LEU A 43 -10.640 -3.105 -1.405 1.00 0.00 N ATOM 604 CA LEU A 43 -11.567 -4.146 -1.835 1.00 0.00 C ATOM 605 C LEU A 43 -11.204 -5.490 -1.211 1.00 0.00 C ATOM 606 O LEU A 43 -10.060 -5.735 -0.828 1.00 0.00 O ATOM 607 CB LEU A 43 -11.565 -4.262 -3.360 1.00 0.00 C ATOM 608 CG LEU A 43 -12.355 -3.193 -4.116 1.00 0.00 C ATOM 609 CD1 LEU A 43 -12.011 -3.221 -5.597 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.850 -3.391 -3.910 1.00 0.00 C ATOM 0 H LEU A 43 -9.655 -3.342 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.566 -3.868 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.531 -4.233 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.964 -5.239 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.079 -2.216 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.583 -2.453 -6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.946 -3.030 -5.727 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.257 -4.199 -6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.397 -2.622 -4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.141 -4.374 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.084 -3.319 -2.848 1.00 0.00 H new ATOM 622 N PRO A 44 -12.199 -6.383 -1.107 1.00 0.00 N ATOM 623 CA PRO A 44 -12.008 -7.718 -0.533 1.00 0.00 C ATOM 624 C PRO A 44 -11.163 -8.618 -1.427 1.00 0.00 C ATOM 625 O PRO A 44 -11.340 -8.643 -2.645 1.00 0.00 O ATOM 626 CB PRO A 44 -13.434 -8.263 -0.421 1.00 0.00 C ATOM 627 CG PRO A 44 -14.204 -7.527 -1.462 1.00 0.00 C ATOM 628 CD PRO A 44 -13.588 -6.158 -1.542 1.00 0.00 C ATOM 0 HA PRO A 44 -11.475 -7.681 0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.461 -9.339 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.847 -8.090 0.573 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.147 -8.037 -2.423 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.259 -7.465 -1.196 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.632 -5.756 -2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.102 -5.448 -0.894 1.00 0.00 H new ATOM 636 N VAL A 45 -10.243 -9.357 -0.815 1.00 0.00 N ATOM 637 CA VAL A 45 -9.371 -10.260 -1.557 1.00 0.00 C ATOM 638 C VAL A 45 -10.153 -11.042 -2.606 1.00 0.00 C ATOM 639 O VAL A 45 -11.306 -11.411 -2.389 1.00 0.00 O ATOM 640 CB VAL A 45 -8.662 -11.253 -0.616 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.831 -12.245 -1.416 1.00 0.00 C ATOM 642 CG2 VAL A 45 -7.797 -10.509 0.389 1.00 0.00 C ATOM 0 H VAL A 45 -10.082 -9.348 0.192 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.623 -9.641 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.420 -11.810 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.337 -12.939 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.480 -12.801 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.079 -11.707 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.304 -11.226 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.045 -9.925 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.422 -9.842 0.984 1.00 0.00 H new ATOM 652 N GLY A 46 -9.517 -11.291 -3.747 1.00 0.00 N ATOM 653 CA GLY A 46 -10.168 -12.027 -4.814 1.00 0.00 C ATOM 654 C GLY A 46 -10.590 -11.132 -5.963 1.00 0.00 C ATOM 655 O GLY A 46 -10.332 -11.441 -7.126 1.00 0.00 O ATOM 0 H GLY A 46 -8.562 -10.996 -3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.491 -12.796 -5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.044 -12.539 -4.416 1.00 0.00 H new ATOM 659 N ASP A 47 -11.241 -10.021 -5.637 1.00 0.00 N ATOM 660 CA ASP A 47 -11.700 -9.079 -6.650 1.00 0.00 C ATOM 661 C ASP A 47 -10.537 -8.601 -7.515 1.00 0.00 C ATOM 662 O ASP A 47 -9.625 -7.933 -7.029 1.00 0.00 O ATOM 663 CB ASP A 47 -12.387 -7.882 -5.991 1.00 0.00 C ATOM 664 CG ASP A 47 -13.324 -7.158 -6.937 1.00 0.00 C ATOM 665 OD1 ASP A 47 -13.517 -7.646 -8.071 1.00 0.00 O ATOM 666 OD2 ASP A 47 -13.864 -6.103 -6.545 1.00 0.00 O ATOM 0 H ASP A 47 -11.463 -9.751 -4.679 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.418 -9.593 -7.289 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.947 -8.223 -5.120 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.630 -7.186 -5.631 1.00 0.00 H new ATOM 671 N GLU A 48 -10.578 -8.949 -8.797 1.00 0.00 N ATOM 672 CA GLU A 48 -9.526 -8.557 -9.728 1.00 0.00 C ATOM 673 C GLU A 48 -9.436 -7.038 -9.839 1.00 0.00 C ATOM 674 O GLU A 48 -8.421 -6.495 -10.276 1.00 0.00 O ATOM 675 CB GLU A 48 -9.782 -9.166 -11.108 1.00 0.00 C ATOM 676 CG GLU A 48 -11.050 -8.658 -11.772 1.00 0.00 C ATOM 677 CD GLU A 48 -12.277 -9.457 -11.376 1.00 0.00 C ATOM 678 OE1 GLU A 48 -12.125 -10.653 -11.051 1.00 0.00 O ATOM 679 OE2 GLU A 48 -13.388 -8.887 -11.390 1.00 0.00 O ATOM 0 H GLU A 48 -11.327 -9.501 -9.215 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.578 -8.933 -9.344 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.932 -8.950 -11.755 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.842 -10.250 -11.012 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.201 -7.612 -11.506 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.929 -8.697 -12.855 1.00 0.00 H new ATOM 686 N ARG A 49 -10.506 -6.357 -9.441 1.00 0.00 N ATOM 687 CA ARG A 49 -10.550 -4.901 -9.497 1.00 0.00 C ATOM 688 C ARG A 49 -9.392 -4.291 -8.713 1.00 0.00 C ATOM 689 O ARG A 49 -9.056 -3.120 -8.892 1.00 0.00 O ATOM 690 CB ARG A 49 -11.881 -4.388 -8.944 1.00 0.00 C ATOM 691 CG ARG A 49 -13.085 -4.796 -9.776 1.00 0.00 C ATOM 692 CD ARG A 49 -14.212 -3.781 -9.661 1.00 0.00 C ATOM 693 NE ARG A 49 -13.778 -2.438 -10.035 1.00 0.00 N ATOM 694 CZ ARG A 49 -14.535 -1.355 -9.892 1.00 0.00 C ATOM 695 NH1 ARG A 49 -15.756 -1.458 -9.386 1.00 0.00 N ATOM 696 NH2 ARG A 49 -14.070 -0.167 -10.254 1.00 0.00 N ATOM 0 H ARG A 49 -11.354 -6.791 -9.076 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.458 -4.600 -10.541 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.010 -4.760 -7.928 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.844 -3.300 -8.883 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.790 -4.896 -10.820 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.440 -5.774 -9.450 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.041 -4.085 -10.300 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.586 -3.769 -8.637 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.843 -2.325 -10.427 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.116 -2.370 -9.105 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.335 -0.625 -9.277 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.131 -0.084 -10.643 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.652 0.664 -10.144 1.00 0.00 H new ATOM 710 N CYS A 50 -8.786 -5.093 -7.844 1.00 0.00 N ATOM 711 CA CYS A 50 -7.665 -4.632 -7.032 1.00 0.00 C ATOM 712 C CYS A 50 -6.390 -4.545 -7.863 1.00 0.00 C ATOM 713 O CYS A 50 -6.113 -5.415 -8.690 1.00 0.00 O ATOM 714 CB CYS A 50 -7.451 -5.571 -5.843 1.00 0.00 C ATOM 715 SG CYS A 50 -8.957 -5.941 -4.914 1.00 0.00 S ATOM 0 H CYS A 50 -9.052 -6.065 -7.684 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.903 -3.635 -6.661 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -7.021 -6.505 -6.204 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -6.721 -5.124 -5.168 1.00 0.00 H new ATOM 0 HG CYS A 50 -9.550 -6.971 -5.441 1.00 0.00 H new ATOM 721 N THR A 51 -5.615 -3.488 -7.640 1.00 0.00 N ATOM 722 CA THR A 51 -4.371 -3.285 -8.370 1.00 0.00 C ATOM 723 C THR A 51 -3.172 -3.760 -7.557 1.00 0.00 C ATOM 724 O THR A 51 -2.237 -4.315 -8.132 1.00 0.00 O ATOM 725 CB THR A 51 -4.171 -1.802 -8.739 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.068 -1.011 -7.550 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.325 -1.297 -9.592 1.00 0.00 C ATOM 0 H THR A 51 -5.828 -2.759 -6.959 1.00 0.00 H new ATOM 0 HA THR A 51 -4.443 -3.873 -9.285 1.00 0.00 H new ATOM 0 HB THR A 51 -3.249 -1.714 -9.314 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.123 -0.863 -7.336 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.162 -0.248 -9.840 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.383 -1.882 -10.510 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.258 -1.398 -9.038 1.00 0.00 H new ATOM 735 N HIS A 52 -3.224 -3.536 -6.252 1.00 0.00 N ATOM 736 CA HIS A 52 -2.139 -3.947 -5.379 1.00 0.00 C ATOM 737 C HIS A 52 -2.662 -4.945 -4.344 1.00 0.00 C ATOM 738 O HIS A 52 -3.804 -4.875 -3.887 1.00 0.00 O ATOM 739 CB HIS A 52 -1.465 -2.731 -4.740 1.00 0.00 C ATOM 740 CG HIS A 52 -0.897 -1.749 -5.738 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.617 -1.284 -6.825 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.326 -1.150 -5.802 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.851 -0.444 -7.505 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.353 -0.363 -6.870 1.00 0.00 N ATOM 0 H HIS A 52 -4.001 -3.075 -5.779 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.370 -4.452 -5.964 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.190 -2.215 -4.111 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.663 -3.074 -4.087 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.136 -1.292 -5.102 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.131 0.084 -8.405 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.144 0.208 -7.167 1.00 0.00 H new ATOM 752 N LEU A 53 -1.795 -5.884 -3.982 1.00 0.00 N ATOM 753 CA LEU A 53 -2.143 -6.910 -3.004 1.00 0.00 C ATOM 754 C LEU A 53 -1.129 -6.942 -1.865 1.00 0.00 C ATOM 755 O LEU A 53 0.013 -7.364 -2.049 1.00 0.00 O ATOM 756 CB LEU A 53 -2.213 -8.282 -3.678 1.00 0.00 C ATOM 757 CG LEU A 53 -2.495 -9.469 -2.756 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.608 -9.131 -1.776 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.855 -10.703 -3.570 1.00 0.00 C ATOM 0 H LEU A 53 -0.847 -5.957 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.121 -6.665 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.989 -8.250 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.268 -8.462 -4.190 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.591 -9.685 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.795 -9.987 -1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.311 -8.275 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.517 -8.888 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.052 -11.538 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.745 -10.499 -4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.026 -10.958 -4.231 1.00 0.00 H new ATOM 771 N ILE A 54 -1.555 -6.495 -0.688 1.00 0.00 N ATOM 772 CA ILE A 54 -0.685 -6.476 0.482 1.00 0.00 C ATOM 773 C ILE A 54 -0.950 -7.677 1.383 1.00 0.00 C ATOM 774 O ILE A 54 -1.912 -7.691 2.151 1.00 0.00 O ATOM 775 CB ILE A 54 -0.870 -5.184 1.299 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.340 -3.980 0.518 1.00 0.00 C ATOM 777 CG2 ILE A 54 -0.166 -5.302 2.643 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.326 -3.433 -0.491 1.00 0.00 C ATOM 0 H ILE A 54 -2.497 -6.141 -0.519 1.00 0.00 H new ATOM 0 HA ILE A 54 0.340 -6.520 0.115 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.935 -5.036 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.075 -3.190 1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.575 -4.267 0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.306 -4.381 3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.586 -6.139 3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.899 -5.471 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.883 -2.581 -1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.573 -4.209 -1.216 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.233 -3.115 0.023 1.00 0.00 H new ATOM 790 N VAL A 55 -0.088 -8.684 1.286 1.00 0.00 N ATOM 791 CA VAL A 55 -0.227 -9.890 2.095 1.00 0.00 C ATOM 792 C VAL A 55 0.801 -9.917 3.221 1.00 0.00 C ATOM 793 O VAL A 55 1.956 -9.539 3.028 1.00 0.00 O ATOM 794 CB VAL A 55 -0.069 -11.161 1.239 1.00 0.00 C ATOM 795 CG1 VAL A 55 1.241 -11.125 0.466 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.147 -12.403 2.113 1.00 0.00 C ATOM 0 H VAL A 55 0.714 -8.689 0.656 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.230 -9.872 2.522 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.887 -11.198 0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.335 -12.031 -0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.253 -10.254 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.075 -11.064 1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.034 -13.292 1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.650 -12.375 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.113 -12.433 2.617 1.00 0.00 H new ATOM 806 N GLU A 56 0.371 -10.366 4.396 1.00 0.00 N ATOM 807 CA GLU A 56 1.255 -10.442 5.553 1.00 0.00 C ATOM 808 C GLU A 56 2.124 -11.695 5.493 1.00 0.00 C ATOM 809 O GLU A 56 1.708 -12.772 5.919 1.00 0.00 O ATOM 810 CB GLU A 56 0.439 -10.437 6.847 1.00 0.00 C ATOM 811 CG GLU A 56 1.291 -10.478 8.105 1.00 0.00 C ATOM 812 CD GLU A 56 0.584 -9.884 9.308 1.00 0.00 C ATOM 813 OE1 GLU A 56 -0.229 -10.597 9.931 1.00 0.00 O ATOM 814 OE2 GLU A 56 0.846 -8.705 9.626 1.00 0.00 O ATOM 0 H GLU A 56 -0.583 -10.682 4.572 1.00 0.00 H new ATOM 0 HA GLU A 56 1.906 -9.568 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.185 -9.543 6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.233 -11.295 6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.563 -11.511 8.322 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.219 -9.934 7.929 1.00 0.00 H new ATOM 821 N GLU A 57 3.333 -11.545 4.959 1.00 0.00 N ATOM 822 CA GLU A 57 4.260 -12.664 4.842 1.00 0.00 C ATOM 823 C GLU A 57 4.675 -13.173 6.219 1.00 0.00 C ATOM 824 O GLU A 57 5.363 -14.186 6.336 1.00 0.00 O ATOM 825 CB GLU A 57 5.498 -12.248 4.044 1.00 0.00 C ATOM 826 CG GLU A 57 6.196 -11.019 4.601 1.00 0.00 C ATOM 827 CD GLU A 57 7.688 -11.023 4.331 1.00 0.00 C ATOM 828 OE1 GLU A 57 8.411 -11.782 5.010 1.00 0.00 O ATOM 829 OE2 GLU A 57 8.132 -10.268 3.441 1.00 0.00 O ATOM 0 H GLU A 57 3.692 -10.660 4.601 1.00 0.00 H new ATOM 0 HA GLU A 57 3.751 -13.471 4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.203 -13.079 4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.206 -12.053 3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.754 -10.125 4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.025 -10.965 5.676 1.00 0.00 H new ATOM 836 N ASN A 58 4.253 -12.461 7.259 1.00 0.00 N ATOM 837 CA ASN A 58 4.582 -12.839 8.628 1.00 0.00 C ATOM 838 C ASN A 58 3.802 -14.080 9.053 1.00 0.00 C ATOM 839 O ASN A 58 4.339 -14.971 9.712 1.00 0.00 O ATOM 840 CB ASN A 58 4.283 -11.683 9.585 1.00 0.00 C ATOM 841 CG ASN A 58 5.472 -10.759 9.764 1.00 0.00 C ATOM 842 OD1 ASN A 58 6.235 -10.890 10.721 1.00 0.00 O ATOM 843 ND2 ASN A 58 5.634 -9.818 8.842 1.00 0.00 N ATOM 0 H ASN A 58 3.683 -11.619 7.179 1.00 0.00 H new ATOM 0 HA ASN A 58 5.647 -13.069 8.668 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.436 -11.111 9.206 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.989 -12.084 10.555 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.416 -9.167 8.910 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.977 -9.746 8.065 1.00 0.00 H new ATOM 850 N THR A 59 2.530 -14.132 8.670 1.00 0.00 N ATOM 851 CA THR A 59 1.674 -15.262 9.010 1.00 0.00 C ATOM 852 C THR A 59 1.115 -15.926 7.757 1.00 0.00 C ATOM 853 O THR A 59 0.378 -16.908 7.839 1.00 0.00 O ATOM 854 CB THR A 59 0.504 -14.829 9.913 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.219 -15.979 10.364 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.436 -13.893 9.169 1.00 0.00 C ATOM 0 H THR A 59 2.070 -13.404 8.124 1.00 0.00 H new ATOM 0 HA THR A 59 2.295 -15.977 9.550 1.00 0.00 H new ATOM 0 HB THR A 59 0.915 -14.299 10.772 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.257 -16.644 9.645 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.254 -13.601 9.827 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.110 -13.004 8.853 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.839 -14.402 8.293 1.00 0.00 H new ATOM 864 N VAL A 60 1.471 -15.383 6.596 1.00 0.00 N ATOM 865 CA VAL A 60 1.006 -15.924 5.325 1.00 0.00 C ATOM 866 C VAL A 60 2.154 -16.555 4.544 1.00 0.00 C ATOM 867 O VAL A 60 3.198 -15.935 4.343 1.00 0.00 O ATOM 868 CB VAL A 60 0.348 -14.835 4.458 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.246 -15.442 3.197 1.00 0.00 C ATOM 870 CG2 VAL A 60 -0.715 -14.092 5.254 1.00 0.00 C ATOM 0 H VAL A 60 2.080 -14.569 6.510 1.00 0.00 H new ATOM 0 HA VAL A 60 0.265 -16.688 5.559 1.00 0.00 H new ATOM 0 HB VAL A 60 1.114 -14.119 4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.706 -14.657 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.542 -15.925 2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.000 -16.180 3.469 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.170 -13.326 4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.481 -14.794 5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.256 -13.623 6.124 1.00 0.00 H new ATOM 880 N LYS A 61 1.953 -17.793 4.105 1.00 0.00 N ATOM 881 CA LYS A 61 2.969 -18.509 3.343 1.00 0.00 C ATOM 882 C LYS A 61 2.632 -18.514 1.855 1.00 0.00 C ATOM 883 O LYS A 61 3.487 -18.238 1.014 1.00 0.00 O ATOM 884 CB LYS A 61 3.099 -19.947 3.852 1.00 0.00 C ATOM 885 CG LYS A 61 3.739 -20.050 5.226 1.00 0.00 C ATOM 886 CD LYS A 61 3.230 -21.262 5.988 1.00 0.00 C ATOM 887 CE LYS A 61 3.959 -21.434 7.312 1.00 0.00 C ATOM 888 NZ LYS A 61 5.388 -21.804 7.115 1.00 0.00 N ATOM 0 H LYS A 61 1.095 -18.321 4.264 1.00 0.00 H new ATOM 0 HA LYS A 61 3.920 -17.994 3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.109 -20.402 3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.691 -20.523 3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.822 -20.114 5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.527 -19.145 5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.161 -21.155 6.171 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.361 -22.157 5.380 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.899 -20.507 7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.463 -22.204 7.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.791 -22.125 8.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.455 -22.570 6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.917 -20.976 6.774 1.00 0.00 H new ATOM 902 N ASP A 62 1.380 -18.829 1.539 1.00 0.00 N ATOM 903 CA ASP A 62 0.929 -18.867 0.152 1.00 0.00 C ATOM 904 C ASP A 62 -0.442 -18.215 0.009 1.00 0.00 C ATOM 905 O ASP A 62 -1.261 -18.257 0.928 1.00 0.00 O ATOM 906 CB ASP A 62 0.877 -20.311 -0.350 1.00 0.00 C ATOM 907 CG ASP A 62 2.233 -20.987 -0.312 1.00 0.00 C ATOM 908 OD1 ASP A 62 3.252 -20.284 -0.480 1.00 0.00 O ATOM 909 OD2 ASP A 62 2.276 -22.219 -0.113 1.00 0.00 O ATOM 0 H ASP A 62 0.660 -19.061 2.223 1.00 0.00 H new ATOM 0 HA ASP A 62 1.642 -18.306 -0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.174 -20.879 0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.496 -20.324 -1.371 1.00 0.00 H new ATOM 914 N LEU A 63 -0.686 -17.611 -1.149 1.00 0.00 N ATOM 915 CA LEU A 63 -1.959 -16.948 -1.413 1.00 0.00 C ATOM 916 C LEU A 63 -3.055 -17.969 -1.701 1.00 0.00 C ATOM 917 O LEU A 63 -2.823 -19.006 -2.323 1.00 0.00 O ATOM 918 CB LEU A 63 -1.820 -15.985 -2.593 1.00 0.00 C ATOM 919 CG LEU A 63 -0.974 -14.736 -2.344 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.512 -14.133 -3.661 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.759 -13.714 -1.534 1.00 0.00 C ATOM 0 H LEU A 63 -0.020 -17.567 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.238 -16.384 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.388 -16.530 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.818 -15.669 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.093 -15.025 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.089 -13.245 -3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.087 -14.863 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.380 -13.858 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.142 -12.831 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.658 -13.429 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.040 -14.148 -0.575 1.00 0.00 H new ATOM 933 N PRO A 64 -4.279 -17.670 -1.240 1.00 0.00 N ATOM 934 CA PRO A 64 -5.436 -18.548 -1.439 1.00 0.00 C ATOM 935 C PRO A 64 -5.887 -18.591 -2.895 1.00 0.00 C ATOM 936 O PRO A 64 -6.818 -19.317 -3.245 1.00 0.00 O ATOM 937 CB PRO A 64 -6.518 -17.913 -0.562 1.00 0.00 C ATOM 938 CG PRO A 64 -6.130 -16.478 -0.463 1.00 0.00 C ATOM 939 CD PRO A 64 -4.627 -16.452 -0.490 1.00 0.00 C ATOM 0 HA PRO A 64 -5.212 -19.583 -1.181 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.506 -18.026 -1.008 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.556 -18.382 0.421 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.545 -15.904 -1.291 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.511 -16.033 0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.249 -15.556 -0.982 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.207 -16.465 0.516 1.00 0.00 H new ATOM 947 N PHE A 65 -5.222 -17.810 -3.739 1.00 0.00 N ATOM 948 CA PHE A 65 -5.556 -17.758 -5.158 1.00 0.00 C ATOM 949 C PHE A 65 -4.319 -17.453 -5.997 1.00 0.00 C ATOM 950 O PHE A 65 -3.282 -17.054 -5.469 1.00 0.00 O ATOM 951 CB PHE A 65 -6.632 -16.701 -5.413 1.00 0.00 C ATOM 952 CG PHE A 65 -6.108 -15.293 -5.383 1.00 0.00 C ATOM 953 CD1 PHE A 65 -5.553 -14.771 -4.226 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.173 -14.492 -6.511 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.070 -13.477 -4.195 1.00 0.00 C ATOM 956 CE2 PHE A 65 -5.691 -13.197 -6.487 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.140 -12.688 -5.327 1.00 0.00 C ATOM 0 H PHE A 65 -4.448 -17.204 -3.465 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.940 -18.735 -5.451 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.092 -16.889 -6.383 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.417 -16.804 -4.663 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.497 -15.383 -3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.605 -14.884 -7.420 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.638 -13.083 -3.287 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.745 -12.584 -7.374 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.765 -11.676 -5.305 1.00 0.00 H new ATOM 967 N GLU A 66 -4.437 -17.646 -7.307 1.00 0.00 N ATOM 968 CA GLU A 66 -3.328 -17.393 -8.219 1.00 0.00 C ATOM 969 C GLU A 66 -3.574 -16.130 -9.038 1.00 0.00 C ATOM 970 O GLU A 66 -4.133 -16.169 -10.135 1.00 0.00 O ATOM 971 CB GLU A 66 -3.123 -18.588 -9.153 1.00 0.00 C ATOM 972 CG GLU A 66 -1.953 -18.421 -10.108 1.00 0.00 C ATOM 973 CD GLU A 66 -0.627 -18.799 -9.477 1.00 0.00 C ATOM 974 OE1 GLU A 66 -0.631 -19.605 -8.524 1.00 0.00 O ATOM 975 OE2 GLU A 66 0.415 -18.287 -9.937 1.00 0.00 O ATOM 0 H GLU A 66 -5.289 -17.977 -7.760 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.427 -17.249 -7.623 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.966 -19.484 -8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.033 -18.747 -9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.119 -19.037 -10.992 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.909 -17.385 -10.445 1.00 0.00 H new ATOM 982 N PRO A 67 -3.149 -14.980 -8.494 1.00 0.00 N ATOM 983 CA PRO A 67 -3.312 -13.682 -9.157 1.00 0.00 C ATOM 984 C PRO A 67 -2.422 -13.543 -10.387 1.00 0.00 C ATOM 985 O PRO A 67 -1.422 -14.248 -10.524 1.00 0.00 O ATOM 986 CB PRO A 67 -2.895 -12.678 -8.079 1.00 0.00 C ATOM 987 CG PRO A 67 -1.975 -13.439 -7.189 1.00 0.00 C ATOM 988 CD PRO A 67 -2.475 -14.857 -7.191 1.00 0.00 C ATOM 0 HA PRO A 67 -4.328 -13.537 -9.524 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.397 -11.812 -8.516 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.759 -12.305 -7.529 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.949 -13.387 -7.552 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.977 -13.026 -6.180 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.658 -15.571 -7.093 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.161 -15.042 -6.365 1.00 0.00 H new ATOM 996 N SER A 68 -2.792 -12.631 -11.280 1.00 0.00 N ATOM 997 CA SER A 68 -2.028 -12.402 -12.501 1.00 0.00 C ATOM 998 C SER A 68 -0.835 -11.490 -12.232 1.00 0.00 C ATOM 999 O SER A 68 -0.775 -10.811 -11.207 1.00 0.00 O ATOM 1000 CB SER A 68 -2.922 -11.787 -13.579 1.00 0.00 C ATOM 1001 OG SER A 68 -3.683 -12.784 -14.240 1.00 0.00 O ATOM 0 H SER A 68 -3.616 -12.038 -11.181 1.00 0.00 H new ATOM 0 HA SER A 68 -1.656 -13.364 -12.853 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.591 -11.055 -13.127 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.308 -11.253 -14.304 1.00 0.00 H new ATOM 0 HG SER A 68 -4.247 -12.365 -14.923 1.00 0.00 H new ATOM 1007 N LYS A 69 0.114 -11.478 -13.162 1.00 0.00 N ATOM 1008 CA LYS A 69 1.306 -10.649 -13.029 1.00 0.00 C ATOM 1009 C LYS A 69 0.932 -9.179 -12.873 1.00 0.00 C ATOM 1010 O LYS A 69 1.618 -8.423 -12.184 1.00 0.00 O ATOM 1011 CB LYS A 69 2.215 -10.828 -14.248 1.00 0.00 C ATOM 1012 CG LYS A 69 1.628 -10.269 -15.532 1.00 0.00 C ATOM 1013 CD LYS A 69 2.016 -8.815 -15.736 1.00 0.00 C ATOM 1014 CE LYS A 69 1.485 -8.276 -17.056 1.00 0.00 C ATOM 1015 NZ LYS A 69 2.080 -8.983 -18.223 1.00 0.00 N ATOM 0 H LYS A 69 0.081 -12.034 -14.017 1.00 0.00 H new ATOM 0 HA LYS A 69 1.841 -10.967 -12.134 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.170 -10.341 -14.053 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.421 -11.890 -14.385 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.974 -10.861 -16.379 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.542 -10.356 -15.505 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.627 -8.215 -14.914 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.102 -8.720 -15.714 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.400 -8.382 -17.082 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.703 -7.210 -17.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.885 -8.445 -19.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.108 -9.066 -18.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.663 -9.932 -18.303 1.00 0.00 H new ATOM 1029 N LYS A 70 -0.161 -8.780 -13.514 1.00 0.00 N ATOM 1030 CA LYS A 70 -0.629 -7.401 -13.445 1.00 0.00 C ATOM 1031 C LYS A 70 -0.743 -6.938 -11.996 1.00 0.00 C ATOM 1032 O LYS A 70 -0.358 -5.817 -11.659 1.00 0.00 O ATOM 1033 CB LYS A 70 -1.984 -7.264 -14.143 1.00 0.00 C ATOM 1034 CG LYS A 70 -3.081 -8.102 -13.510 1.00 0.00 C ATOM 1035 CD LYS A 70 -4.165 -8.454 -14.516 1.00 0.00 C ATOM 1036 CE LYS A 70 -5.236 -7.376 -14.581 1.00 0.00 C ATOM 1037 NZ LYS A 70 -6.518 -7.900 -15.127 1.00 0.00 N ATOM 0 H LYS A 70 -0.740 -9.393 -14.088 1.00 0.00 H new ATOM 0 HA LYS A 70 0.100 -6.770 -13.954 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.285 -6.217 -14.131 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.876 -7.552 -15.189 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.651 -9.017 -13.102 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.521 -7.556 -12.675 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.719 -8.585 -15.502 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.621 -9.406 -14.243 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.405 -6.971 -13.583 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.885 -6.553 -15.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.222 -7.135 -15.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.363 -8.263 -16.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.866 -8.668 -14.519 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.272 -7.807 -11.142 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.436 -7.487 -9.728 1.00 0.00 C ATOM 1053 C LEU A 71 -0.087 -7.461 -9.016 1.00 0.00 C ATOM 1054 O LEU A 71 0.620 -8.467 -8.966 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.359 -8.506 -9.057 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.538 -8.357 -7.546 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.451 -7.182 -7.231 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.092 -9.641 -6.946 1.00 0.00 C ATOM 0 H LEU A 71 -1.595 -8.739 -11.404 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.885 -6.496 -9.655 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.340 -8.442 -9.527 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.973 -9.505 -9.260 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.562 -8.163 -7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.567 -7.091 -6.151 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.014 -6.265 -7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.427 -7.347 -7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.213 -9.517 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.059 -9.866 -7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.401 -10.461 -7.141 1.00 0.00 H new ATOM 1070 N PHE A 72 0.263 -6.303 -8.465 1.00 0.00 N ATOM 1071 CA PHE A 72 1.527 -6.146 -7.755 1.00 0.00 C ATOM 1072 C PHE A 72 1.372 -6.509 -6.281 1.00 0.00 C ATOM 1073 O PHE A 72 0.837 -5.731 -5.491 1.00 0.00 O ATOM 1074 CB PHE A 72 2.035 -4.708 -7.886 1.00 0.00 C ATOM 1075 CG PHE A 72 2.416 -4.333 -9.290 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.655 -4.682 -9.802 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.535 -3.632 -10.097 1.00 0.00 C ATOM 1078 CE1 PHE A 72 4.009 -4.337 -11.093 1.00 0.00 C ATOM 1079 CE2 PHE A 72 1.883 -3.285 -11.389 1.00 0.00 C ATOM 1080 CZ PHE A 72 3.121 -3.639 -11.888 1.00 0.00 C ATOM 0 H PHE A 72 -0.311 -5.460 -8.497 1.00 0.00 H new ATOM 0 HA PHE A 72 2.253 -6.824 -8.204 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.263 -4.025 -7.533 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.900 -4.576 -7.236 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.352 -5.230 -9.186 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.565 -3.353 -9.712 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.979 -4.613 -11.480 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.187 -2.738 -12.008 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.394 -3.371 -12.898 1.00 0.00 H new ATOM 1090 N VAL A 73 1.843 -7.698 -5.918 1.00 0.00 N ATOM 1091 CA VAL A 73 1.757 -8.166 -4.540 1.00 0.00 C ATOM 1092 C VAL A 73 2.963 -7.707 -3.728 1.00 0.00 C ATOM 1093 O VAL A 73 4.109 -7.915 -4.126 1.00 0.00 O ATOM 1094 CB VAL A 73 1.663 -9.702 -4.474 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.098 -10.145 -3.133 1.00 0.00 C ATOM 1096 CG2 VAL A 73 0.816 -10.233 -5.620 1.00 0.00 C ATOM 0 H VAL A 73 2.288 -8.355 -6.559 1.00 0.00 H new ATOM 0 HA VAL A 73 0.850 -7.735 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 73 2.667 -10.115 -4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.039 -11.233 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.748 -9.796 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.101 -9.724 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.760 -11.320 -5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.188 -9.814 -5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.268 -9.947 -6.570 1.00 0.00 H new ATOM 1106 N VAL A 74 2.697 -7.080 -2.586 1.00 0.00 N ATOM 1107 CA VAL A 74 3.759 -6.592 -1.716 1.00 0.00 C ATOM 1108 C VAL A 74 3.503 -6.981 -0.264 1.00 0.00 C ATOM 1109 O VAL A 74 2.480 -7.585 0.057 1.00 0.00 O ATOM 1110 CB VAL A 74 3.902 -5.061 -1.808 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.444 -4.657 -3.171 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.567 -4.385 -1.534 1.00 0.00 C ATOM 0 H VAL A 74 1.754 -6.898 -2.242 1.00 0.00 H new ATOM 0 HA VAL A 74 4.684 -7.057 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 74 4.612 -4.733 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.538 -3.572 -3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.422 -5.113 -3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.760 -4.996 -3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.686 -3.304 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.833 -4.717 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.224 -4.649 -0.534 1.00 0.00 H new ATOM 1122 N LYS A 75 4.440 -6.630 0.610 1.00 0.00 N ATOM 1123 CA LYS A 75 4.316 -6.940 2.030 1.00 0.00 C ATOM 1124 C LYS A 75 3.420 -5.925 2.732 1.00 0.00 C ATOM 1125 O LYS A 75 2.837 -5.051 2.092 1.00 0.00 O ATOM 1126 CB LYS A 75 5.697 -6.961 2.690 1.00 0.00 C ATOM 1127 CG LYS A 75 6.674 -7.916 2.027 1.00 0.00 C ATOM 1128 CD LYS A 75 8.112 -7.464 2.220 1.00 0.00 C ATOM 1129 CE LYS A 75 9.059 -8.210 1.293 1.00 0.00 C ATOM 1130 NZ LYS A 75 10.428 -8.321 1.870 1.00 0.00 N ATOM 0 H LYS A 75 5.294 -6.131 0.360 1.00 0.00 H new ATOM 0 HA LYS A 75 3.860 -7.926 2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.115 -5.955 2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.585 -7.239 3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.547 -8.915 2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.452 -7.983 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.186 -6.393 2.033 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.410 -7.628 3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.665 -9.207 1.098 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.110 -7.694 0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.043 -8.836 1.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.814 -7.369 2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.384 -8.836 2.773 1.00 0.00 H new ATOM 1144 N GLN A 76 3.317 -6.047 4.052 1.00 0.00 N ATOM 1145 CA GLN A 76 2.492 -5.139 4.840 1.00 0.00 C ATOM 1146 C GLN A 76 3.187 -3.794 5.025 1.00 0.00 C ATOM 1147 O GLN A 76 2.535 -2.752 5.084 1.00 0.00 O ATOM 1148 CB GLN A 76 2.178 -5.756 6.204 1.00 0.00 C ATOM 1149 CG GLN A 76 3.407 -5.963 7.075 1.00 0.00 C ATOM 1150 CD GLN A 76 4.147 -7.244 6.744 1.00 0.00 C ATOM 1151 OE1 GLN A 76 3.431 -8.362 6.756 1.00 0.00 O flip ATOM 1152 NE2 GLN A 76 5.350 -7.229 6.480 1.00 0.00 N flip ATOM 0 H GLN A 76 3.794 -6.765 4.597 1.00 0.00 H new ATOM 0 HA GLN A 76 1.560 -4.974 4.300 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.473 -5.113 6.731 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.683 -6.716 6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.082 -5.116 6.952 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.106 -5.982 8.123 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.862 -6.347 6.482 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.835 -8.099 6.259 1.00 0.00 H new ATOM 1161 N GLU A 77 4.513 -3.826 5.115 1.00 0.00 N ATOM 1162 CA GLU A 77 5.295 -2.608 5.295 1.00 0.00 C ATOM 1163 C GLU A 77 4.961 -1.583 4.215 1.00 0.00 C ATOM 1164 O GLU A 77 4.676 -0.423 4.512 1.00 0.00 O ATOM 1165 CB GLU A 77 6.791 -2.927 5.265 1.00 0.00 C ATOM 1166 CG GLU A 77 7.665 -1.797 5.781 1.00 0.00 C ATOM 1167 CD GLU A 77 9.140 -2.146 5.765 1.00 0.00 C ATOM 1168 OE1 GLU A 77 9.463 -3.351 5.697 1.00 0.00 O ATOM 1169 OE2 GLU A 77 9.972 -1.216 5.821 1.00 0.00 O ATOM 0 H GLU A 77 5.068 -4.681 5.066 1.00 0.00 H new ATOM 0 HA GLU A 77 5.041 -2.184 6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.976 -3.820 5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.083 -3.163 4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.499 -0.908 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.366 -1.547 6.799 1.00 0.00 H new ATOM 1176 N TRP A 78 4.998 -2.020 2.961 1.00 0.00 N ATOM 1177 CA TRP A 78 4.700 -1.141 1.836 1.00 0.00 C ATOM 1178 C TRP A 78 3.538 -0.210 2.166 1.00 0.00 C ATOM 1179 O TRP A 78 3.670 1.012 2.093 1.00 0.00 O ATOM 1180 CB TRP A 78 4.371 -1.965 0.591 1.00 0.00 C ATOM 1181 CG TRP A 78 4.150 -1.130 -0.634 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.068 -0.835 -1.601 1.00 0.00 C ATOM 1183 CD2 TRP A 78 2.934 -0.481 -1.021 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.496 -0.041 -2.566 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.187 0.189 -2.234 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.655 -0.402 -0.462 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.209 0.928 -2.894 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.686 0.331 -1.119 1.00 0.00 C ATOM 1189 CH2 TRP A 78 0.966 0.988 -2.324 1.00 0.00 C ATOM 0 H TRP A 78 5.231 -2.977 2.698 1.00 0.00 H new ATOM 0 HA TRP A 78 5.583 -0.534 1.638 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.185 -2.665 0.402 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.477 -2.559 0.783 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.093 -1.176 -1.607 1.00 0.00 H new ATOM 0 HE1 TRP A 78 4.969 0.319 -3.395 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.429 -0.905 0.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.423 1.436 -3.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.305 0.399 -0.696 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.186 1.553 -2.813 1.00 0.00 H new ATOM 1200 N PHE A 79 2.402 -0.794 2.530 1.00 0.00 N ATOM 1201 CA PHE A 79 1.216 -0.016 2.870 1.00 0.00 C ATOM 1202 C PHE A 79 1.517 0.968 3.997 1.00 0.00 C ATOM 1203 O PHE A 79 1.298 2.172 3.859 1.00 0.00 O ATOM 1204 CB PHE A 79 0.071 -0.944 3.280 1.00 0.00 C ATOM 1205 CG PHE A 79 -1.137 -0.215 3.795 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -2.006 0.417 2.921 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.402 -0.160 5.154 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -3.118 1.089 3.392 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.513 0.510 5.631 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.372 1.135 4.749 1.00 0.00 C ATOM 0 H PHE A 79 2.277 -1.804 2.597 1.00 0.00 H new ATOM 0 HA PHE A 79 0.917 0.549 1.987 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.219 -1.551 2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.427 -1.629 4.049 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.812 0.384 1.859 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.733 -0.646 5.848 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.788 1.578 2.700 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.709 0.545 6.693 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.241 1.659 5.119 1.00 0.00 H new ATOM 1220 N TRP A 80 2.018 0.447 5.111 1.00 0.00 N ATOM 1221 CA TRP A 80 2.349 1.279 6.262 1.00 0.00 C ATOM 1222 C TRP A 80 3.230 2.453 5.851 1.00 0.00 C ATOM 1223 O TRP A 80 2.795 3.603 5.866 1.00 0.00 O ATOM 1224 CB TRP A 80 3.055 0.446 7.333 1.00 0.00 C ATOM 1225 CG TRP A 80 2.172 -0.595 7.954 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.386 -1.943 7.978 1.00 0.00 C ATOM 1227 CD2 TRP A 80 0.935 -0.371 8.640 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.357 -2.571 8.636 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.454 -1.629 9.053 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.188 0.770 8.946 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.739 -1.775 9.754 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.997 0.622 9.642 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.450 -0.642 10.041 1.00 0.00 C ATOM 0 H TRP A 80 2.204 -0.547 5.242 1.00 0.00 H new ATOM 0 HA TRP A 80 1.419 1.674 6.672 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.923 -0.042 6.890 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.426 1.110 8.114 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.239 -2.442 7.543 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.278 -3.576 8.789 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.530 1.749 8.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -1.091 -2.749 10.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.584 1.496 9.882 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.379 -0.724 10.586 1.00 0.00 H new ATOM 1244 N GLY A 81 4.473 2.154 5.483 1.00 0.00 N ATOM 1245 CA GLY A 81 5.395 3.197 5.073 1.00 0.00 C ATOM 1246 C GLY A 81 4.721 4.278 4.252 1.00 0.00 C ATOM 1247 O GLY A 81 4.596 5.418 4.698 1.00 0.00 O ATOM 0 H GLY A 81 4.857 1.209 5.462 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.847 3.646 5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.204 2.755 4.491 1.00 0.00 H new ATOM 1251 N SER A 82 4.286 3.920 3.048 1.00 0.00 N ATOM 1252 CA SER A 82 3.625 4.870 2.160 1.00 0.00 C ATOM 1253 C SER A 82 2.785 5.864 2.957 1.00 0.00 C ATOM 1254 O SER A 82 2.756 7.056 2.648 1.00 0.00 O ATOM 1255 CB SER A 82 2.742 4.130 1.153 1.00 0.00 C ATOM 1256 OG SER A 82 3.521 3.551 0.121 1.00 0.00 O ATOM 0 H SER A 82 4.379 2.979 2.665 1.00 0.00 H new ATOM 0 HA SER A 82 4.395 5.422 1.620 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.175 3.352 1.665 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.018 4.822 0.722 1.00 0.00 H new ATOM 0 HG SER A 82 3.809 2.654 0.392 1.00 0.00 H new ATOM 1262 N ILE A 83 2.104 5.365 3.982 1.00 0.00 N ATOM 1263 CA ILE A 83 1.264 6.208 4.824 1.00 0.00 C ATOM 1264 C ILE A 83 2.109 7.138 5.687 1.00 0.00 C ATOM 1265 O ILE A 83 1.850 8.339 5.759 1.00 0.00 O ATOM 1266 CB ILE A 83 0.355 5.364 5.736 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.526 4.435 4.898 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.502 6.267 6.611 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -1.061 3.250 5.671 1.00 0.00 C ATOM 0 H ILE A 83 2.117 4.381 4.250 1.00 0.00 H new ATOM 0 HA ILE A 83 0.642 6.803 4.155 1.00 0.00 H new ATOM 0 HB ILE A 83 0.983 4.752 6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.364 5.006 4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.049 4.073 4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.139 5.656 7.250 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.142 6.891 7.231 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.124 6.902 5.980 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.677 2.635 5.014 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.229 2.656 6.049 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.664 3.603 6.508 1.00 0.00 H new ATOM 1281 N GLN A 84 3.122 6.575 6.338 1.00 0.00 N ATOM 1282 CA GLN A 84 4.006 7.355 7.196 1.00 0.00 C ATOM 1283 C GLN A 84 4.653 8.496 6.416 1.00 0.00 C ATOM 1284 O GLN A 84 4.647 9.644 6.859 1.00 0.00 O ATOM 1285 CB GLN A 84 5.087 6.458 7.801 1.00 0.00 C ATOM 1286 CG GLN A 84 5.592 6.940 9.151 1.00 0.00 C ATOM 1287 CD GLN A 84 6.907 6.296 9.546 1.00 0.00 C ATOM 1288 OE1 GLN A 84 6.947 5.130 9.939 1.00 0.00 O ATOM 1289 NE2 GLN A 84 7.992 7.054 9.442 1.00 0.00 N ATOM 0 H GLN A 84 3.351 5.582 6.288 1.00 0.00 H new ATOM 0 HA GLN A 84 3.407 7.782 8.000 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.691 5.448 7.910 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.927 6.398 7.109 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.716 8.023 9.123 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.843 6.725 9.913 1.00 0.00 H new ATOM 0 HE21 GLN A 84 7.913 8.016 9.111 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.905 6.675 9.693 1.00 0.00 H new ATOM 1298 N MET A 85 5.211 8.170 5.255 1.00 0.00 N ATOM 1299 CA MET A 85 5.862 9.169 4.414 1.00 0.00 C ATOM 1300 C MET A 85 4.873 9.770 3.420 1.00 0.00 C ATOM 1301 O MET A 85 5.209 10.693 2.677 1.00 0.00 O ATOM 1302 CB MET A 85 7.040 8.545 3.664 1.00 0.00 C ATOM 1303 CG MET A 85 6.641 7.399 2.749 1.00 0.00 C ATOM 1304 SD MET A 85 7.947 6.170 2.564 1.00 0.00 S ATOM 1305 CE MET A 85 7.612 5.566 0.911 1.00 0.00 C ATOM 0 H MET A 85 5.226 7.224 4.875 1.00 0.00 H new ATOM 0 HA MET A 85 6.232 9.966 5.059 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.533 9.316 3.072 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.770 8.183 4.388 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.747 6.917 3.146 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.380 7.796 1.768 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.443 4.946 0.575 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.697 4.974 0.919 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.492 6.411 0.232 1.00 0.00 H new ATOM 1315 N ASP A 86 3.654 9.242 3.412 1.00 0.00 N ATOM 1316 CA ASP A 86 2.616 9.728 2.510 1.00 0.00 C ATOM 1317 C ASP A 86 3.111 9.735 1.067 1.00 0.00 C ATOM 1318 O ASP A 86 2.856 10.677 0.318 1.00 0.00 O ATOM 1319 CB ASP A 86 2.173 11.134 2.918 1.00 0.00 C ATOM 1320 CG ASP A 86 1.064 11.115 3.951 1.00 0.00 C ATOM 1321 OD1 ASP A 86 -0.098 10.861 3.569 1.00 0.00 O ATOM 1322 OD2 ASP A 86 1.358 11.353 5.141 1.00 0.00 O ATOM 0 H ASP A 86 3.360 8.477 4.020 1.00 0.00 H new ATOM 0 HA ASP A 86 1.763 9.053 2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.028 11.680 3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.834 11.675 2.035 1.00 0.00 H new ATOM 1327 N ALA A 87 3.820 8.678 0.684 1.00 0.00 N ATOM 1328 CA ALA A 87 4.350 8.563 -0.669 1.00 0.00 C ATOM 1329 C ALA A 87 4.325 7.114 -1.146 1.00 0.00 C ATOM 1330 O ALA A 87 4.719 6.204 -0.417 1.00 0.00 O ATOM 1331 CB ALA A 87 5.765 9.117 -0.731 1.00 0.00 C ATOM 0 H ALA A 87 4.041 7.889 1.292 1.00 0.00 H new ATOM 0 HA ALA A 87 3.714 9.148 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.148 9.024 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.758 10.168 -0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.405 8.557 -0.050 1.00 0.00 H new ATOM 1337 N ARG A 88 3.859 6.909 -2.374 1.00 0.00 N ATOM 1338 CA ARG A 88 3.781 5.571 -2.947 1.00 0.00 C ATOM 1339 C ARG A 88 5.175 4.983 -3.147 1.00 0.00 C ATOM 1340 O ARG A 88 5.888 5.354 -4.078 1.00 0.00 O ATOM 1341 CB ARG A 88 3.035 5.608 -4.282 1.00 0.00 C ATOM 1342 CG ARG A 88 2.756 4.231 -4.862 1.00 0.00 C ATOM 1343 CD ARG A 88 2.045 4.324 -6.203 1.00 0.00 C ATOM 1344 NE ARG A 88 0.605 4.510 -6.047 1.00 0.00 N ATOM 1345 CZ ARG A 88 0.029 5.697 -5.897 1.00 0.00 C ATOM 1346 NH1 ARG A 88 0.766 6.799 -5.882 1.00 0.00 N ATOM 1347 NH2 ARG A 88 -1.288 5.784 -5.761 1.00 0.00 N ATOM 0 H ARG A 88 3.530 7.652 -2.991 1.00 0.00 H new ATOM 0 HA ARG A 88 3.234 4.936 -2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.090 6.134 -4.146 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.620 6.184 -5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.694 3.689 -4.983 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.145 3.658 -4.164 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.458 5.155 -6.775 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.233 3.417 -6.777 1.00 0.00 H new ATOM 0 HE ARG A 88 0.009 3.682 -6.054 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.779 6.737 -5.986 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.320 7.709 -5.767 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.859 4.939 -5.772 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.730 6.696 -5.646 1.00 0.00 H new ATOM 1361 N ALA A 89 5.556 4.064 -2.265 1.00 0.00 N ATOM 1362 CA ALA A 89 6.863 3.424 -2.346 1.00 0.00 C ATOM 1363 C ALA A 89 6.934 2.468 -3.532 1.00 0.00 C ATOM 1364 O ALA A 89 5.925 2.187 -4.177 1.00 0.00 O ATOM 1365 CB ALA A 89 7.169 2.686 -1.051 1.00 0.00 C ATOM 0 H ALA A 89 4.978 3.747 -1.487 1.00 0.00 H new ATOM 0 HA ALA A 89 7.613 4.201 -2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.148 2.212 -1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.169 3.392 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.409 1.924 -0.878 1.00 0.00 H new ATOM 1371 N GLY A 90 8.135 1.971 -3.814 1.00 0.00 N ATOM 1372 CA GLY A 90 8.315 1.052 -4.923 1.00 0.00 C ATOM 1373 C GLY A 90 7.991 -0.381 -4.547 1.00 0.00 C ATOM 1374 O GLY A 90 8.525 -0.909 -3.572 1.00 0.00 O ATOM 0 H GLY A 90 8.986 2.188 -3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.678 1.360 -5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.345 1.108 -5.274 1.00 0.00 H new ATOM 1378 N GLU A 91 7.113 -1.010 -5.322 1.00 0.00 N ATOM 1379 CA GLU A 91 6.718 -2.389 -5.063 1.00 0.00 C ATOM 1380 C GLU A 91 7.926 -3.319 -5.108 1.00 0.00 C ATOM 1381 O GLU A 91 8.006 -4.290 -4.354 1.00 0.00 O ATOM 1382 CB GLU A 91 5.672 -2.844 -6.084 1.00 0.00 C ATOM 1383 CG GLU A 91 4.500 -1.887 -6.223 1.00 0.00 C ATOM 1384 CD GLU A 91 3.383 -2.187 -5.243 1.00 0.00 C ATOM 1385 OE1 GLU A 91 2.699 -3.217 -5.420 1.00 0.00 O ATOM 1386 OE2 GLU A 91 3.193 -1.392 -4.298 1.00 0.00 O ATOM 0 H GLU A 91 6.662 -0.587 -6.133 1.00 0.00 H new ATOM 0 HA GLU A 91 6.284 -2.434 -4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.152 -2.961 -7.056 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.296 -3.825 -5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.849 -0.866 -6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.111 -1.941 -7.240 1.00 0.00 H new ATOM 1393 N THR A 92 8.867 -3.016 -5.998 1.00 0.00 N ATOM 1394 CA THR A 92 10.070 -3.825 -6.143 1.00 0.00 C ATOM 1395 C THR A 92 10.863 -3.869 -4.842 1.00 0.00 C ATOM 1396 O THR A 92 11.797 -4.658 -4.700 1.00 0.00 O ATOM 1397 CB THR A 92 10.977 -3.285 -7.265 1.00 0.00 C ATOM 1398 OG1 THR A 92 10.182 -2.673 -8.287 1.00 0.00 O ATOM 1399 CG2 THR A 92 11.814 -4.403 -7.869 1.00 0.00 C ATOM 0 H THR A 92 8.818 -2.216 -6.629 1.00 0.00 H new ATOM 0 HA THR A 92 9.744 -4.833 -6.401 1.00 0.00 H new ATOM 0 HB THR A 92 11.648 -2.542 -6.833 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.767 -2.331 -8.995 1.00 0.00 H new ATOM 0 HG21 THR A 92 12.446 -3.998 -8.659 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.440 -4.848 -7.095 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.156 -5.165 -8.286 1.00 0.00 H new ATOM 1407 N MET A 93 10.484 -3.018 -3.894 1.00 0.00 N ATOM 1408 CA MET A 93 11.160 -2.963 -2.603 1.00 0.00 C ATOM 1409 C MET A 93 10.371 -3.727 -1.544 1.00 0.00 C ATOM 1410 O MET A 93 10.886 -4.020 -0.464 1.00 0.00 O ATOM 1411 CB MET A 93 11.350 -1.510 -2.165 1.00 0.00 C ATOM 1412 CG MET A 93 12.035 -0.644 -3.210 1.00 0.00 C ATOM 1413 SD MET A 93 12.599 0.934 -2.544 1.00 0.00 S ATOM 1414 CE MET A 93 11.727 2.081 -3.608 1.00 0.00 C ATOM 0 H MET A 93 9.713 -2.358 -3.995 1.00 0.00 H new ATOM 0 HA MET A 93 12.138 -3.433 -2.712 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.376 -1.080 -1.930 1.00 0.00 H new ATOM 0 HB3 MET A 93 11.937 -1.490 -1.247 1.00 0.00 H new ATOM 0 HG2 MET A 93 12.887 -1.185 -3.623 1.00 0.00 H new ATOM 0 HG3 MET A 93 11.345 -0.460 -4.033 1.00 0.00 H new ATOM 0 HE1 MET A 93 12.439 2.773 -4.058 1.00 0.00 H new ATOM 0 HE2 MET A 93 11.211 1.529 -4.394 1.00 0.00 H new ATOM 0 HE3 MET A 93 10.999 2.641 -3.021 1.00 0.00 H new ATOM 1424 N TYR A 94 9.121 -4.045 -1.859 1.00 0.00 N ATOM 1425 CA TYR A 94 8.261 -4.772 -0.933 1.00 0.00 C ATOM 1426 C TYR A 94 7.594 -5.957 -1.625 1.00 0.00 C ATOM 1427 O TYR A 94 6.649 -6.547 -1.099 1.00 0.00 O ATOM 1428 CB TYR A 94 7.196 -3.840 -0.353 1.00 0.00 C ATOM 1429 CG TYR A 94 7.768 -2.622 0.336 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.167 -1.509 -0.394 1.00 0.00 C ATOM 1431 CD2 TYR A 94 7.910 -2.584 1.718 1.00 0.00 C ATOM 1432 CE1 TYR A 94 8.690 -0.394 0.231 1.00 0.00 C ATOM 1433 CE2 TYR A 94 8.431 -1.473 2.352 1.00 0.00 C ATOM 1434 CZ TYR A 94 8.820 -0.381 1.604 1.00 0.00 C ATOM 1435 OH TYR A 94 9.341 0.727 2.232 1.00 0.00 O ATOM 0 H TYR A 94 8.680 -3.811 -2.749 1.00 0.00 H new ATOM 0 HA TYR A 94 8.883 -5.151 -0.122 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.533 -3.516 -1.155 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.586 -4.397 0.359 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.066 -1.516 -1.469 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.608 -3.438 2.306 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.995 0.462 -0.352 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.533 -1.459 3.427 1.00 0.00 H new ATOM 0 HH TYR A 94 9.364 0.574 3.200 1.00 0.00 H new ATOM 1445 N LEU A 95 8.093 -6.301 -2.807 1.00 0.00 N ATOM 1446 CA LEU A 95 7.547 -7.416 -3.573 1.00 0.00 C ATOM 1447 C LEU A 95 7.450 -8.672 -2.712 1.00 0.00 C ATOM 1448 O LEU A 95 8.449 -9.145 -2.172 1.00 0.00 O ATOM 1449 CB LEU A 95 8.417 -7.691 -4.801 1.00 0.00 C ATOM 1450 CG LEU A 95 8.038 -6.935 -6.075 1.00 0.00 C ATOM 1451 CD1 LEU A 95 8.995 -7.280 -7.205 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.603 -7.247 -6.474 1.00 0.00 C ATOM 0 H LEU A 95 8.875 -5.824 -3.256 1.00 0.00 H new ATOM 0 HA LEU A 95 6.544 -7.144 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.450 -7.448 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.384 -8.760 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 95 8.114 -5.866 -5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.710 -6.733 -8.103 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.010 -7.004 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.952 -8.351 -7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.351 -6.700 -7.383 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.500 -8.317 -6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.929 -6.947 -5.672 1.00 0.00 H new ATOM 1464 N TYR A 96 6.240 -9.208 -2.592 1.00 0.00 N ATOM 1465 CA TYR A 96 6.012 -10.409 -1.797 1.00 0.00 C ATOM 1466 C TYR A 96 6.470 -11.655 -2.550 1.00 0.00 C ATOM 1467 O TYR A 96 5.978 -11.951 -3.638 1.00 0.00 O ATOM 1468 CB TYR A 96 4.531 -10.533 -1.436 1.00 0.00 C ATOM 1469 CG TYR A 96 4.157 -11.884 -0.871 1.00 0.00 C ATOM 1470 CD1 TYR A 96 4.473 -12.223 0.439 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.488 -12.823 -1.647 1.00 0.00 C ATOM 1472 CE1 TYR A 96 4.134 -13.457 0.959 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.144 -14.058 -1.134 1.00 0.00 C ATOM 1474 CZ TYR A 96 3.469 -14.371 0.169 1.00 0.00 C ATOM 1475 OH TYR A 96 3.129 -15.602 0.683 1.00 0.00 O ATOM 0 H TYR A 96 5.403 -8.830 -3.035 1.00 0.00 H new ATOM 0 HA TYR A 96 6.596 -10.325 -0.881 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.277 -9.762 -0.709 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.931 -10.342 -2.326 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.993 -11.509 1.061 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.233 -12.583 -2.669 1.00 0.00 H new ATOM 0 HE1 TYR A 96 4.388 -13.705 1.979 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.623 -14.775 -1.750 1.00 0.00 H new ATOM 0 HH TYR A 96 3.276 -16.292 0.003 1.00 0.00 H new ATOM 1485 N GLU A 97 7.414 -12.381 -1.960 1.00 0.00 N ATOM 1486 CA GLU A 97 7.938 -13.595 -2.574 1.00 0.00 C ATOM 1487 C GLU A 97 7.776 -14.791 -1.641 1.00 0.00 C ATOM 1488 O GLU A 97 8.729 -15.527 -1.384 1.00 0.00 O ATOM 1489 CB GLU A 97 9.414 -13.413 -2.937 1.00 0.00 C ATOM 1490 CG GLU A 97 9.645 -12.427 -4.069 1.00 0.00 C ATOM 1491 CD GLU A 97 11.077 -11.931 -4.127 1.00 0.00 C ATOM 1492 OE1 GLU A 97 11.422 -11.022 -3.343 1.00 0.00 O ATOM 1493 OE2 GLU A 97 11.853 -12.452 -4.956 1.00 0.00 O ATOM 0 H GLU A 97 7.831 -12.150 -1.058 1.00 0.00 H new ATOM 0 HA GLU A 97 7.368 -13.787 -3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.957 -13.074 -2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.832 -14.380 -3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.390 -12.901 -5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.974 -11.576 -3.948 1.00 0.00 H new ATOM 1500 N LYS A 98 6.562 -14.978 -1.135 1.00 0.00 N ATOM 1501 CA LYS A 98 6.272 -16.084 -0.230 1.00 0.00 C ATOM 1502 C LYS A 98 7.442 -16.334 0.716 1.00 0.00 C ATOM 1503 O LYS A 98 7.739 -17.477 1.064 1.00 0.00 O ATOM 1504 CB LYS A 98 5.966 -17.355 -1.026 1.00 0.00 C ATOM 1505 CG LYS A 98 7.030 -17.700 -2.053 1.00 0.00 C ATOM 1506 CD LYS A 98 6.858 -19.115 -2.580 1.00 0.00 C ATOM 1507 CE LYS A 98 5.825 -19.173 -3.695 1.00 0.00 C ATOM 1508 NZ LYS A 98 5.338 -20.560 -3.928 1.00 0.00 N ATOM 0 H LYS A 98 5.762 -14.378 -1.336 1.00 0.00 H new ATOM 0 HA LYS A 98 5.398 -15.815 0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.857 -18.190 -0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.009 -17.234 -1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.980 -16.994 -2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.018 -17.595 -1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.814 -19.486 -2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.554 -19.773 -1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.982 -18.530 -3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 98 6.261 -18.782 -4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.636 -20.557 -4.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.138 -21.169 -4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.899 -20.925 -3.058 1.00 0.00 H new ATOM 1522 N ALA A 99 8.103 -15.258 1.131 1.00 0.00 N ATOM 1523 CA ALA A 99 9.238 -15.361 2.039 1.00 0.00 C ATOM 1524 C ALA A 99 8.810 -15.925 3.390 1.00 0.00 C ATOM 1525 O ALA A 99 8.043 -15.300 4.120 1.00 0.00 O ATOM 1526 CB ALA A 99 9.895 -14.000 2.218 1.00 0.00 C ATOM 0 H ALA A 99 7.871 -14.305 0.852 1.00 0.00 H new ATOM 0 HA ALA A 99 9.962 -16.048 1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.741 -14.091 2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.244 -13.635 1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.171 -13.298 2.632 1.00 0.00 H new ATOM 1532 N ASN A 100 9.312 -17.112 3.715 1.00 0.00 N ATOM 1533 CA ASN A 100 8.980 -17.762 4.978 1.00 0.00 C ATOM 1534 C ASN A 100 9.994 -17.399 6.059 1.00 0.00 C ATOM 1535 O ASN A 100 11.166 -17.766 5.976 1.00 0.00 O ATOM 1536 CB ASN A 100 8.933 -19.281 4.797 1.00 0.00 C ATOM 1537 CG ASN A 100 10.041 -19.791 3.896 1.00 0.00 C ATOM 1538 OD1 ASN A 100 11.091 -19.160 3.767 1.00 0.00 O ATOM 1539 ND2 ASN A 100 9.812 -20.938 3.268 1.00 0.00 N ATOM 0 H ASN A 100 9.950 -17.643 3.122 1.00 0.00 H new ATOM 0 HA ASN A 100 7.998 -17.410 5.292 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.010 -19.763 5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 100 7.968 -19.564 4.377 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.521 -21.331 2.649 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.927 -21.427 3.405 1.00 0.00 H new ATOM 1546 N THR A 101 9.534 -16.675 7.075 1.00 0.00 N ATOM 1547 CA THR A 101 10.399 -16.262 8.172 1.00 0.00 C ATOM 1548 C THR A 101 10.224 -17.171 9.383 1.00 0.00 C ATOM 1549 O THR A 101 9.144 -17.706 9.638 1.00 0.00 O ATOM 1550 CB THR A 101 10.117 -14.807 8.592 1.00 0.00 C ATOM 1551 OG1 THR A 101 8.754 -14.674 9.013 1.00 0.00 O ATOM 1552 CG2 THR A 101 10.394 -13.849 7.444 1.00 0.00 C ATOM 0 H THR A 101 8.567 -16.363 7.160 1.00 0.00 H new ATOM 0 HA THR A 101 11.425 -16.336 7.811 1.00 0.00 H new ATOM 0 HB THR A 101 10.779 -14.557 9.421 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.583 -13.747 9.280 1.00 0.00 H new ATOM 0 HG21 THR A 101 10.188 -12.828 7.764 1.00 0.00 H new ATOM 0 HG22 THR A 101 11.439 -13.932 7.145 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.754 -14.100 6.598 1.00 0.00 H new ATOM 1560 N PRO A 102 11.310 -17.352 10.150 1.00 0.00 N ATOM 1561 CA PRO A 102 11.301 -18.197 11.348 1.00 0.00 C ATOM 1562 C PRO A 102 10.482 -17.587 12.481 1.00 0.00 C ATOM 1563 O PRO A 102 9.982 -16.469 12.364 1.00 0.00 O ATOM 1564 CB PRO A 102 12.779 -18.275 11.738 1.00 0.00 C ATOM 1565 CG PRO A 102 13.385 -17.037 11.173 1.00 0.00 C ATOM 1566 CD PRO A 102 12.629 -16.747 9.906 1.00 0.00 C ATOM 0 HA PRO A 102 10.844 -19.168 11.159 1.00 0.00 H new ATOM 0 HB2 PRO A 102 12.901 -18.317 12.820 1.00 0.00 H new ATOM 0 HB3 PRO A 102 13.250 -19.169 11.329 1.00 0.00 H new ATOM 0 HG2 PRO A 102 13.303 -16.207 11.875 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.446 -17.180 10.970 1.00 0.00 H new ATOM 0 HD2 PRO A 102 12.552 -15.676 9.721 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.118 -17.186 9.037 1.00 0.00 H new ATOM 1574 N GLU A 103 10.350 -18.329 13.576 1.00 0.00 N ATOM 1575 CA GLU A 103 9.591 -17.860 14.729 1.00 0.00 C ATOM 1576 C GLU A 103 8.212 -17.362 14.307 1.00 0.00 C ATOM 1577 O GLU A 103 7.752 -16.315 14.763 1.00 0.00 O ATOM 1578 CB GLU A 103 10.351 -16.743 15.447 1.00 0.00 C ATOM 1579 CG GLU A 103 11.437 -17.249 16.382 1.00 0.00 C ATOM 1580 CD GLU A 103 12.311 -16.133 16.920 1.00 0.00 C ATOM 1581 OE1 GLU A 103 12.795 -15.315 16.109 1.00 0.00 O ATOM 1582 OE2 GLU A 103 12.511 -16.076 18.151 1.00 0.00 O ATOM 0 H GLU A 103 10.759 -19.257 13.689 1.00 0.00 H new ATOM 0 HA GLU A 103 9.461 -18.699 15.412 1.00 0.00 H new ATOM 0 HB2 GLU A 103 10.801 -16.085 14.703 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.643 -16.142 16.018 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.976 -17.778 17.216 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.060 -17.970 15.853 1.00 0.00 H new ATOM 1589 N SER A 104 7.558 -18.118 13.431 1.00 0.00 N ATOM 1590 CA SER A 104 6.234 -17.752 12.943 1.00 0.00 C ATOM 1591 C SER A 104 5.248 -17.615 14.099 1.00 0.00 C ATOM 1592 O SER A 104 4.544 -16.612 14.214 1.00 0.00 O ATOM 1593 CB SER A 104 5.727 -18.797 11.947 1.00 0.00 C ATOM 1594 OG SER A 104 4.390 -18.530 11.564 1.00 0.00 O ATOM 0 H SER A 104 7.924 -18.988 13.045 1.00 0.00 H new ATOM 0 HA SER A 104 6.313 -16.789 12.439 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.367 -18.803 11.065 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.789 -19.790 12.393 1.00 0.00 H new ATOM 0 HG SER A 104 4.090 -19.211 10.926 1.00 0.00 H new ATOM 1600 N GLY A 105 5.203 -18.632 14.954 1.00 0.00 N ATOM 1601 CA GLY A 105 4.300 -18.606 16.090 1.00 0.00 C ATOM 1602 C GLY A 105 5.027 -18.759 17.412 1.00 0.00 C ATOM 1603 O GLY A 105 5.546 -17.795 17.974 1.00 0.00 O ATOM 0 H GLY A 105 5.775 -19.473 14.880 1.00 0.00 H new ATOM 0 HA2 GLY A 105 3.747 -17.667 16.089 1.00 0.00 H new ATOM 0 HA3 GLY A 105 3.568 -19.407 15.987 1.00 0.00 H new ATOM 1607 N PRO A 106 5.069 -19.996 17.929 1.00 0.00 N ATOM 1608 CA PRO A 106 5.734 -20.301 19.199 1.00 0.00 C ATOM 1609 C PRO A 106 7.251 -20.184 19.102 1.00 0.00 C ATOM 1610 O PRO A 106 7.916 -21.054 18.540 1.00 0.00 O ATOM 1611 CB PRO A 106 5.326 -21.750 19.475 1.00 0.00 C ATOM 1612 CG PRO A 106 5.032 -22.323 18.131 1.00 0.00 C ATOM 1613 CD PRO A 106 4.471 -21.193 17.313 1.00 0.00 C ATOM 0 HA PRO A 106 5.445 -19.605 19.987 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.126 -22.298 19.973 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.453 -21.798 20.126 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.935 -22.726 17.672 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.318 -23.144 18.204 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.745 -21.283 16.262 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.382 -21.167 17.358 1.00 0.00 H new ATOM 1621 N SER A 107 7.793 -19.103 19.654 1.00 0.00 N ATOM 1622 CA SER A 107 9.233 -18.871 19.627 1.00 0.00 C ATOM 1623 C SER A 107 9.972 -19.946 20.417 1.00 0.00 C ATOM 1624 O SER A 107 10.890 -20.587 19.905 1.00 0.00 O ATOM 1625 CB SER A 107 9.559 -17.489 20.197 1.00 0.00 C ATOM 1626 OG SER A 107 10.959 -17.293 20.291 1.00 0.00 O ATOM 0 H SER A 107 7.257 -18.374 20.125 1.00 0.00 H new ATOM 0 HA SER A 107 9.563 -18.916 18.589 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.123 -16.718 19.562 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.107 -17.383 21.183 1.00 0.00 H new ATOM 0 HG SER A 107 11.284 -16.858 19.475 1.00 0.00 H new ATOM 1632 N SER A 108 9.564 -20.139 21.667 1.00 0.00 N ATOM 1633 CA SER A 108 10.189 -21.134 22.530 1.00 0.00 C ATOM 1634 C SER A 108 10.272 -22.486 21.829 1.00 0.00 C ATOM 1635 O SER A 108 9.369 -22.870 21.086 1.00 0.00 O ATOM 1636 CB SER A 108 9.404 -21.272 23.836 1.00 0.00 C ATOM 1637 OG SER A 108 10.071 -22.133 24.744 1.00 0.00 O ATOM 0 H SER A 108 8.803 -19.619 22.105 1.00 0.00 H new ATOM 0 HA SER A 108 11.201 -20.798 22.756 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.273 -20.290 24.291 1.00 0.00 H new ATOM 0 HB3 SER A 108 8.408 -21.661 23.626 1.00 0.00 H new ATOM 0 HG SER A 108 9.550 -22.203 25.571 1.00 0.00 H new ATOM 1643 N GLY A 109 11.364 -23.205 22.070 1.00 0.00 N ATOM 1644 CA GLY A 109 11.547 -24.507 21.455 1.00 0.00 C ATOM 1645 C GLY A 109 12.273 -25.480 22.362 1.00 0.00 C ATOM 1646 O GLY A 109 13.456 -25.758 22.166 1.00 0.00 O ATOM 0 H GLY A 109 12.126 -22.909 22.680 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.574 -24.920 21.189 1.00 0.00 H new ATOM 0 HA3 GLY A 109 12.108 -24.392 20.528 1.00 0.00 H new TER 1650 GLY A 109