USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 824 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 47 THR OG1 : rot -97:sc= -0.747 USER MOD Set 1.2: A 93 ASN : amide:sc= -0.958 K(o=-1.7,f=-0.67!) USER MOD Set 2.1: A 56 CYS SG : rot -119:sc= 0.994 USER MOD Set 2.2: A 80 SER OG : rot 77:sc= 0.722 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+ 178:sc= 0 (180deg=-0.00528) USER MOD Single : A 11 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-4.7!) USER MOD Single : A 13 ASN : amide:sc= -10.5! C(o=-10!,f=-17!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00588 USER MOD Single : A 26 SER OG : rot 140:sc= -0.929 USER MOD Single : A 28 HIS : no HE2:sc= -0.668 X(o=-0.67,f=-0.87) USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 70:sc= -0.812 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.78! C(o=-2.8!,f=-3.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -5.44! C(o=-5.4!,f=-10!) USER MOD Single : A 46 MET CE :methyl -137:sc= -0.26 (180deg=-3.29) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 136:sc= 1.19 USER MOD Single : A 60 SER OG : rot 31:sc= 0.077 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.56) USER MOD Single : A 75 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.14) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 33:sc= 0.982 USER MOD Single : A 85 ASN : amide:sc= -1.73 X(o=-1.7,f=-2.1!) USER MOD Single : A 95 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.31) USER MOD Single : A 97 SER OG : rot -109:sc= 0.7 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.596 -16.388 -1.534 1.00 0.00 N ATOM 2 CA GLY A 1 16.426 -15.925 -0.437 1.00 0.00 C ATOM 3 C GLY A 1 17.357 -14.802 -0.848 1.00 0.00 C ATOM 4 O GLY A 1 18.448 -15.048 -1.364 1.00 0.00 O ATOM 0 H1 GLY A 1 14.978 -17.155 -1.202 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.013 -15.601 -1.884 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.201 -16.740 -2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.788 -15.584 0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.014 -16.759 -0.054 1.00 0.00 H new ATOM 8 N SER A 2 16.926 -13.565 -0.622 1.00 0.00 N ATOM 9 CA SER A 2 17.727 -12.400 -0.978 1.00 0.00 C ATOM 10 C SER A 2 17.561 -11.290 0.056 1.00 0.00 C ATOM 11 O SER A 2 16.751 -11.400 0.976 1.00 0.00 O ATOM 12 CB SER A 2 17.330 -11.885 -2.363 1.00 0.00 C ATOM 13 OG SER A 2 17.679 -12.817 -3.373 1.00 0.00 O ATOM 0 H SER A 2 16.027 -13.344 -0.194 1.00 0.00 H new ATOM 0 HA SER A 2 18.774 -12.702 -0.997 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.256 -11.698 -2.391 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.824 -10.933 -2.556 1.00 0.00 H new ATOM 0 HG SER A 2 17.414 -12.465 -4.248 1.00 0.00 H new ATOM 19 N SER A 3 18.335 -10.221 -0.103 1.00 0.00 N ATOM 20 CA SER A 3 18.277 -9.092 0.818 1.00 0.00 C ATOM 21 C SER A 3 17.833 -7.824 0.095 1.00 0.00 C ATOM 22 O SER A 3 18.629 -7.163 -0.570 1.00 0.00 O ATOM 23 CB SER A 3 19.643 -8.869 1.470 1.00 0.00 C ATOM 24 OG SER A 3 19.521 -8.116 2.664 1.00 0.00 O ATOM 0 H SER A 3 19.009 -10.113 -0.861 1.00 0.00 H new ATOM 0 HA SER A 3 17.546 -9.323 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.106 -9.831 1.689 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.301 -8.349 0.774 1.00 0.00 H new ATOM 0 HG SER A 3 20.407 -7.989 3.062 1.00 0.00 H new ATOM 30 N GLY A 4 16.553 -7.490 0.232 1.00 0.00 N ATOM 31 CA GLY A 4 16.023 -6.303 -0.413 1.00 0.00 C ATOM 32 C GLY A 4 16.135 -5.070 0.461 1.00 0.00 C ATOM 33 O GLY A 4 17.084 -4.931 1.232 1.00 0.00 O ATOM 0 H GLY A 4 15.874 -8.020 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.557 -6.132 -1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.977 -6.469 -0.670 1.00 0.00 H new ATOM 37 N SER A 5 15.164 -4.170 0.340 1.00 0.00 N ATOM 38 CA SER A 5 15.161 -2.939 1.122 1.00 0.00 C ATOM 39 C SER A 5 14.637 -3.192 2.532 1.00 0.00 C ATOM 40 O SER A 5 13.490 -3.599 2.716 1.00 0.00 O ATOM 41 CB SER A 5 14.306 -1.874 0.431 1.00 0.00 C ATOM 42 OG SER A 5 15.027 -1.237 -0.609 1.00 0.00 O ATOM 0 H SER A 5 14.370 -4.270 -0.292 1.00 0.00 H new ATOM 0 HA SER A 5 16.188 -2.581 1.194 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.405 -2.334 0.024 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.983 -1.132 1.161 1.00 0.00 H new ATOM 0 HG SER A 5 14.458 -0.562 -1.036 1.00 0.00 H new ATOM 48 N SER A 6 15.486 -2.947 3.525 1.00 0.00 N ATOM 49 CA SER A 6 15.112 -3.152 4.919 1.00 0.00 C ATOM 50 C SER A 6 13.689 -2.666 5.176 1.00 0.00 C ATOM 51 O SER A 6 13.257 -1.655 4.624 1.00 0.00 O ATOM 52 CB SER A 6 16.087 -2.422 5.844 1.00 0.00 C ATOM 53 OG SER A 6 16.155 -1.042 5.527 1.00 0.00 O ATOM 0 H SER A 6 16.438 -2.606 3.390 1.00 0.00 H new ATOM 0 HA SER A 6 15.156 -4.221 5.128 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.772 -2.545 6.880 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.078 -2.867 5.757 1.00 0.00 H new ATOM 0 HG SER A 6 16.784 -0.598 6.134 1.00 0.00 H new ATOM 59 N GLY A 7 12.964 -3.395 6.020 1.00 0.00 N ATOM 60 CA GLY A 7 11.597 -3.023 6.337 1.00 0.00 C ATOM 61 C GLY A 7 10.741 -4.219 6.700 1.00 0.00 C ATOM 62 O GLY A 7 11.242 -5.315 6.953 1.00 0.00 O ATOM 0 H GLY A 7 13.299 -4.236 6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.599 -2.316 7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.156 -2.510 5.482 1.00 0.00 H new ATOM 66 N PRO A 8 9.415 -4.015 6.733 1.00 0.00 N ATOM 67 CA PRO A 8 8.459 -5.074 7.069 1.00 0.00 C ATOM 68 C PRO A 8 8.368 -6.139 5.981 1.00 0.00 C ATOM 69 O PRO A 8 8.457 -5.835 4.791 1.00 0.00 O ATOM 70 CB PRO A 8 7.131 -4.325 7.197 1.00 0.00 C ATOM 71 CG PRO A 8 7.296 -3.113 6.347 1.00 0.00 C ATOM 72 CD PRO A 8 8.748 -2.735 6.443 1.00 0.00 C ATOM 0 HA PRO A 8 8.748 -5.613 7.971 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.297 -4.937 6.855 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.926 -4.057 8.233 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.014 -3.319 5.315 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.658 -2.302 6.696 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.111 -2.294 5.514 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.922 -2.004 7.232 1.00 0.00 H new ATOM 80 N LYS A 9 8.189 -7.389 6.396 1.00 0.00 N ATOM 81 CA LYS A 9 8.084 -8.499 5.457 1.00 0.00 C ATOM 82 C LYS A 9 7.085 -8.182 4.349 1.00 0.00 C ATOM 83 O LYS A 9 7.462 -8.026 3.187 1.00 0.00 O ATOM 84 CB LYS A 9 7.660 -9.775 6.190 1.00 0.00 C ATOM 85 CG LYS A 9 8.580 -10.150 7.339 1.00 0.00 C ATOM 86 CD LYS A 9 9.893 -10.727 6.837 1.00 0.00 C ATOM 87 CE LYS A 9 11.003 -10.563 7.864 1.00 0.00 C ATOM 88 NZ LYS A 9 10.705 -11.299 9.124 1.00 0.00 N ATOM 0 H LYS A 9 8.114 -7.658 7.377 1.00 0.00 H new ATOM 0 HA LYS A 9 9.064 -8.654 5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.648 -9.645 6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.627 -10.599 5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.779 -9.269 7.950 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.084 -10.878 7.981 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.762 -11.784 6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.178 -10.231 5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.942 -10.925 7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.140 -9.504 8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.500 -11.191 9.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.841 -10.914 9.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.566 -12.308 8.912 1.00 0.00 H new ATOM 102 N ILE A 10 5.811 -8.087 4.716 1.00 0.00 N ATOM 103 CA ILE A 10 4.760 -7.785 3.752 1.00 0.00 C ATOM 104 C ILE A 10 5.051 -6.485 3.010 1.00 0.00 C ATOM 105 O ILE A 10 5.719 -5.594 3.535 1.00 0.00 O ATOM 106 CB ILE A 10 3.384 -7.676 4.436 1.00 0.00 C ATOM 107 CG1 ILE A 10 3.543 -7.173 5.872 1.00 0.00 C ATOM 108 CG2 ILE A 10 2.675 -9.022 4.415 1.00 0.00 C ATOM 109 CD1 ILE A 10 3.665 -8.284 6.891 1.00 0.00 C ATOM 0 H ILE A 10 5.482 -8.215 5.673 1.00 0.00 H new ATOM 0 HA ILE A 10 4.739 -8.610 3.040 1.00 0.00 H new ATOM 0 HB ILE A 10 2.776 -6.958 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.427 -6.539 5.930 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.686 -6.549 6.127 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.704 -8.929 4.902 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.534 -9.343 3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.278 -9.759 4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.775 -7.854 7.887 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.770 -8.905 6.861 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.538 -8.894 6.661 1.00 0.00 H new ATOM 121 N HIS A 11 4.543 -6.382 1.786 1.00 0.00 N ATOM 122 CA HIS A 11 4.746 -5.189 0.971 1.00 0.00 C ATOM 123 C HIS A 11 3.634 -5.041 -0.062 1.00 0.00 C ATOM 124 O HIS A 11 3.248 -6.010 -0.717 1.00 0.00 O ATOM 125 CB HIS A 11 6.104 -5.249 0.272 1.00 0.00 C ATOM 126 CG HIS A 11 6.130 -6.172 -0.908 1.00 0.00 C ATOM 127 ND1 HIS A 11 5.576 -5.849 -2.128 1.00 0.00 N ATOM 128 CD2 HIS A 11 6.650 -7.414 -1.048 1.00 0.00 C ATOM 129 CE1 HIS A 11 5.752 -6.853 -2.969 1.00 0.00 C ATOM 130 NE2 HIS A 11 6.402 -7.815 -2.338 1.00 0.00 N ATOM 0 H HIS A 11 3.988 -7.110 1.337 1.00 0.00 H new ATOM 0 HA HIS A 11 4.723 -4.321 1.629 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.380 -4.246 -0.055 1.00 0.00 H new ATOM 0 HB3 HIS A 11 6.859 -5.569 0.990 1.00 0.00 H new ATOM 0 HD1 HIS A 11 5.104 -4.972 -2.347 1.00 0.00 H new ATOM 0 HD2 HIS A 11 7.164 -7.983 -0.287 1.00 0.00 H new ATOM 0 HE1 HIS A 11 5.421 -6.882 -3.997 1.00 0.00 H new ATOM 138 N PHE A 12 3.121 -3.823 -0.203 1.00 0.00 N ATOM 139 CA PHE A 12 2.052 -3.549 -1.156 1.00 0.00 C ATOM 140 C PHE A 12 2.586 -3.539 -2.585 1.00 0.00 C ATOM 141 O PHE A 12 3.656 -2.995 -2.855 1.00 0.00 O ATOM 142 CB PHE A 12 1.389 -2.207 -0.838 1.00 0.00 C ATOM 143 CG PHE A 12 0.395 -2.281 0.285 1.00 0.00 C ATOM 144 CD1 PHE A 12 -0.741 -3.068 0.173 1.00 0.00 C ATOM 145 CD2 PHE A 12 0.595 -1.564 1.454 1.00 0.00 C ATOM 146 CE1 PHE A 12 -1.657 -3.138 1.205 1.00 0.00 C ATOM 147 CE2 PHE A 12 -0.318 -1.631 2.489 1.00 0.00 C ATOM 148 CZ PHE A 12 -1.446 -2.418 2.365 1.00 0.00 C ATOM 0 H PHE A 12 3.429 -3.010 0.331 1.00 0.00 H new ATOM 0 HA PHE A 12 1.310 -4.343 -1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.161 -1.481 -0.582 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.888 -1.837 -1.733 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.912 -3.633 -0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.475 -0.946 1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.538 -3.755 1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.149 -1.068 3.395 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.161 -2.470 3.173 1.00 0.00 H new ATOM 158 N ASN A 13 1.833 -4.146 -3.496 1.00 0.00 N ATOM 159 CA ASN A 13 2.230 -4.208 -4.898 1.00 0.00 C ATOM 160 C ASN A 13 2.903 -2.910 -5.331 1.00 0.00 C ATOM 161 O ASN A 13 3.786 -2.911 -6.189 1.00 0.00 O ATOM 162 CB ASN A 13 1.013 -4.485 -5.783 1.00 0.00 C ATOM 163 CG ASN A 13 -0.197 -3.668 -5.373 1.00 0.00 C ATOM 164 OD1 ASN A 13 -0.085 -2.718 -4.598 1.00 0.00 O ATOM 165 ND2 ASN A 13 -1.363 -4.035 -5.893 1.00 0.00 N ATOM 0 H ASN A 13 0.944 -4.602 -3.289 1.00 0.00 H new ATOM 0 HA ASN A 13 2.946 -5.022 -5.011 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.263 -4.263 -6.820 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.766 -5.545 -5.735 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.212 -3.523 -5.654 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.409 -4.829 -6.532 1.00 0.00 H new ATOM 172 N PHE A 14 2.480 -1.802 -4.731 1.00 0.00 N ATOM 173 CA PHE A 14 3.042 -0.495 -5.055 1.00 0.00 C ATOM 174 C PHE A 14 3.294 0.317 -3.788 1.00 0.00 C ATOM 175 O PHE A 14 2.844 -0.051 -2.703 1.00 0.00 O ATOM 176 CB PHE A 14 2.100 0.271 -5.986 1.00 0.00 C ATOM 177 CG PHE A 14 0.649 -0.043 -5.762 1.00 0.00 C ATOM 178 CD1 PHE A 14 -0.056 0.568 -4.738 1.00 0.00 C ATOM 179 CD2 PHE A 14 -0.011 -0.949 -6.577 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.392 0.280 -4.530 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.347 -1.240 -6.374 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.038 -0.624 -5.349 1.00 0.00 C ATOM 0 H PHE A 14 1.751 -1.783 -4.018 1.00 0.00 H new ATOM 0 HA PHE A 14 3.995 -0.651 -5.561 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.257 1.341 -5.849 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.358 0.041 -7.020 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.444 1.277 -4.095 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.525 -1.433 -7.380 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.930 0.762 -3.727 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.850 -1.948 -7.016 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.082 -0.849 -5.189 1.00 0.00 H new ATOM 192 N GLU A 15 4.018 1.422 -3.935 1.00 0.00 N ATOM 193 CA GLU A 15 4.332 2.285 -2.802 1.00 0.00 C ATOM 194 C GLU A 15 3.245 3.337 -2.602 1.00 0.00 C ATOM 195 O GLU A 15 2.846 3.627 -1.473 1.00 0.00 O ATOM 196 CB GLU A 15 5.685 2.968 -3.013 1.00 0.00 C ATOM 197 CG GLU A 15 5.981 4.058 -1.997 1.00 0.00 C ATOM 198 CD GLU A 15 6.309 3.503 -0.624 1.00 0.00 C ATOM 199 OE1 GLU A 15 6.762 2.342 -0.546 1.00 0.00 O ATOM 200 OE2 GLU A 15 6.114 4.231 0.372 1.00 0.00 O ATOM 0 H GLU A 15 4.398 1.741 -4.826 1.00 0.00 H new ATOM 0 HA GLU A 15 4.382 1.664 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.473 2.216 -2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.713 3.399 -4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.817 4.661 -2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.120 4.721 -1.920 1.00 0.00 H new ATOM 207 N LEU A 16 2.770 3.906 -3.705 1.00 0.00 N ATOM 208 CA LEU A 16 1.729 4.926 -3.652 1.00 0.00 C ATOM 209 C LEU A 16 0.610 4.614 -4.640 1.00 0.00 C ATOM 210 O LEU A 16 0.863 4.177 -5.764 1.00 0.00 O ATOM 211 CB LEU A 16 2.322 6.304 -3.953 1.00 0.00 C ATOM 212 CG LEU A 16 1.318 7.446 -4.115 1.00 0.00 C ATOM 213 CD1 LEU A 16 1.951 8.773 -3.727 1.00 0.00 C ATOM 214 CD2 LEU A 16 0.797 7.499 -5.544 1.00 0.00 C ATOM 0 H LEU A 16 3.089 3.678 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 16 1.309 4.930 -2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.011 6.564 -3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.911 6.232 -4.867 1.00 0.00 H new ATOM 0 HG LEU A 16 0.476 7.261 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.221 9.574 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.274 8.732 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.812 8.966 -4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.084 8.317 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.629 7.660 -6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.304 6.558 -5.787 1.00 0.00 H new ATOM 226 N LEU A 17 -0.628 4.843 -4.216 1.00 0.00 N ATOM 227 CA LEU A 17 -1.787 4.589 -5.064 1.00 0.00 C ATOM 228 C LEU A 17 -2.516 5.887 -5.394 1.00 0.00 C ATOM 229 O LEU A 17 -3.188 6.467 -4.540 1.00 0.00 O ATOM 230 CB LEU A 17 -2.744 3.614 -4.376 1.00 0.00 C ATOM 231 CG LEU A 17 -4.161 3.548 -4.947 1.00 0.00 C ATOM 232 CD1 LEU A 17 -4.170 2.798 -6.269 1.00 0.00 C ATOM 233 CD2 LEU A 17 -5.106 2.891 -3.952 1.00 0.00 C ATOM 0 H LEU A 17 -0.855 5.204 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.434 4.146 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.309 2.616 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.811 3.885 -3.322 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.507 4.566 -5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.187 2.761 -6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.525 3.311 -6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.804 1.783 -6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.110 2.852 -4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.763 1.879 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.123 3.471 -3.029 1.00 0.00 H new ATOM 245 N ASP A 18 -2.381 6.337 -6.636 1.00 0.00 N ATOM 246 CA ASP A 18 -3.029 7.566 -7.080 1.00 0.00 C ATOM 247 C ASP A 18 -4.446 7.285 -7.572 1.00 0.00 C ATOM 248 O ASP A 18 -4.639 6.765 -8.672 1.00 0.00 O ATOM 249 CB ASP A 18 -2.212 8.227 -8.190 1.00 0.00 C ATOM 250 CG ASP A 18 -2.908 9.439 -8.779 1.00 0.00 C ATOM 251 OD1 ASP A 18 -3.933 9.257 -9.469 1.00 0.00 O ATOM 252 OD2 ASP A 18 -2.429 10.568 -8.548 1.00 0.00 O ATOM 0 H ASP A 18 -1.828 5.869 -7.354 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.086 8.245 -6.229 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.242 8.526 -7.794 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.024 7.500 -8.980 1.00 0.00 H new ATOM 257 N ILE A 19 -5.432 7.632 -6.752 1.00 0.00 N ATOM 258 CA ILE A 19 -6.829 7.417 -7.104 1.00 0.00 C ATOM 259 C ILE A 19 -7.383 8.595 -7.898 1.00 0.00 C ATOM 260 O ILE A 19 -8.593 8.817 -7.937 1.00 0.00 O ATOM 261 CB ILE A 19 -7.699 7.202 -5.851 1.00 0.00 C ATOM 262 CG1 ILE A 19 -7.589 8.406 -4.914 1.00 0.00 C ATOM 263 CG2 ILE A 19 -7.288 5.925 -5.133 1.00 0.00 C ATOM 264 CD1 ILE A 19 -8.837 8.652 -4.096 1.00 0.00 C ATOM 0 H ILE A 19 -5.289 8.063 -5.839 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.865 6.518 -7.719 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.739 7.102 -6.162 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.746 8.255 -4.239 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.370 9.296 -5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.912 5.787 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.414 5.074 -5.803 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.243 5.997 -4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.687 9.521 -3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.679 8.835 -4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.046 7.778 -3.479 1.00 0.00 H new ATOM 276 N GLY A 20 -6.489 9.347 -8.532 1.00 0.00 N ATOM 277 CA GLY A 20 -6.908 10.493 -9.318 1.00 0.00 C ATOM 278 C GLY A 20 -8.050 11.253 -8.674 1.00 0.00 C ATOM 279 O GLY A 20 -8.068 11.449 -7.458 1.00 0.00 O ATOM 0 H GLY A 20 -5.482 9.183 -8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.061 11.165 -9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.213 10.158 -10.309 1.00 0.00 H new ATOM 283 N LYS A 21 -9.006 11.684 -9.489 1.00 0.00 N ATOM 284 CA LYS A 21 -10.158 12.427 -8.992 1.00 0.00 C ATOM 285 C LYS A 21 -11.292 11.482 -8.609 1.00 0.00 C ATOM 286 O LYS A 21 -11.364 10.353 -9.095 1.00 0.00 O ATOM 287 CB LYS A 21 -10.645 13.421 -10.050 1.00 0.00 C ATOM 288 CG LYS A 21 -9.590 14.431 -10.466 1.00 0.00 C ATOM 289 CD LYS A 21 -10.179 15.524 -11.342 1.00 0.00 C ATOM 290 CE LYS A 21 -9.100 16.457 -11.871 1.00 0.00 C ATOM 291 NZ LYS A 21 -9.486 17.070 -13.172 1.00 0.00 N ATOM 0 H LYS A 21 -9.006 11.532 -10.498 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.848 12.974 -8.102 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.975 12.869 -10.930 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.514 13.954 -9.663 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.142 14.877 -9.578 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.791 13.922 -11.005 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.713 15.073 -12.178 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.908 16.097 -10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.910 17.244 -11.141 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.169 15.904 -11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.725 17.699 -13.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.642 16.321 -13.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.361 17.619 -13.051 1.00 0.00 H new ATOM 305 N VAL A 22 -12.177 11.950 -7.734 1.00 0.00 N ATOM 306 CA VAL A 22 -13.309 11.147 -7.288 1.00 0.00 C ATOM 307 C VAL A 22 -14.516 12.024 -6.977 1.00 0.00 C ATOM 308 O VAL A 22 -14.392 13.061 -6.326 1.00 0.00 O ATOM 309 CB VAL A 22 -12.952 10.321 -6.038 1.00 0.00 C ATOM 310 CG1 VAL A 22 -12.105 9.116 -6.417 1.00 0.00 C ATOM 311 CG2 VAL A 22 -12.234 11.187 -5.014 1.00 0.00 C ATOM 0 H VAL A 22 -12.131 12.881 -7.320 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.558 10.469 -8.104 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.876 9.958 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.863 8.545 -5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -12.660 8.485 -7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.184 9.454 -6.892 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.989 10.587 -4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.317 11.582 -5.451 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.881 12.013 -4.719 1.00 0.00 H new ATOM 321 N PHE A 23 -15.685 11.600 -7.446 1.00 0.00 N ATOM 322 CA PHE A 23 -16.917 12.347 -7.218 1.00 0.00 C ATOM 323 C PHE A 23 -17.258 12.393 -5.732 1.00 0.00 C ATOM 324 O PHE A 23 -17.086 11.408 -5.012 1.00 0.00 O ATOM 325 CB PHE A 23 -18.072 11.717 -7.999 1.00 0.00 C ATOM 326 CG PHE A 23 -19.201 12.669 -8.271 1.00 0.00 C ATOM 327 CD1 PHE A 23 -18.963 13.893 -8.876 1.00 0.00 C ATOM 328 CD2 PHE A 23 -20.501 12.341 -7.921 1.00 0.00 C ATOM 329 CE1 PHE A 23 -20.001 14.771 -9.126 1.00 0.00 C ATOM 330 CE2 PHE A 23 -21.543 13.215 -8.169 1.00 0.00 C ATOM 331 CZ PHE A 23 -21.292 14.431 -8.773 1.00 0.00 C ATOM 0 H PHE A 23 -15.805 10.743 -7.986 1.00 0.00 H new ATOM 0 HA PHE A 23 -16.764 13.368 -7.569 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.693 11.335 -8.947 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -18.454 10.863 -7.441 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.955 14.164 -9.155 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -20.703 11.391 -7.449 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -19.802 15.722 -9.597 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -22.552 12.947 -7.891 1.00 0.00 H new ATOM 0 HZ PHE A 23 -22.104 15.115 -8.969 1.00 0.00 H new ATOM 341 N THR A 24 -17.744 13.544 -5.277 1.00 0.00 N ATOM 342 CA THR A 24 -18.108 13.720 -3.877 1.00 0.00 C ATOM 343 C THR A 24 -19.351 12.911 -3.526 1.00 0.00 C ATOM 344 O THR A 24 -20.206 12.668 -4.377 1.00 0.00 O ATOM 345 CB THR A 24 -18.363 15.203 -3.545 1.00 0.00 C ATOM 346 OG1 THR A 24 -18.720 15.342 -2.166 1.00 0.00 O ATOM 347 CG2 THR A 24 -19.471 15.770 -4.420 1.00 0.00 C ATOM 0 H THR A 24 -17.895 14.368 -5.859 1.00 0.00 H new ATOM 0 HA THR A 24 -17.266 13.362 -3.284 1.00 0.00 H new ATOM 0 HB THR A 24 -17.446 15.759 -3.740 1.00 0.00 H new ATOM 0 HG1 THR A 24 -18.879 16.287 -1.963 1.00 0.00 H new ATOM 0 HG21 THR A 24 -19.634 16.818 -4.168 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.184 15.689 -5.468 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.391 15.209 -4.251 1.00 0.00 H new ATOM 355 N GLY A 25 -19.447 12.497 -2.266 1.00 0.00 N ATOM 356 CA GLY A 25 -20.590 11.720 -1.825 1.00 0.00 C ATOM 357 C GLY A 25 -20.486 10.260 -2.220 1.00 0.00 C ATOM 358 O GLY A 25 -20.408 9.382 -1.361 1.00 0.00 O ATOM 0 H GLY A 25 -18.753 12.686 -1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.680 11.794 -0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.500 12.144 -2.250 1.00 0.00 H new ATOM 362 N SER A 26 -20.487 10.000 -3.524 1.00 0.00 N ATOM 363 CA SER A 26 -20.398 8.636 -4.031 1.00 0.00 C ATOM 364 C SER A 26 -19.185 7.917 -3.447 1.00 0.00 C ATOM 365 O SER A 26 -18.330 8.535 -2.813 1.00 0.00 O ATOM 366 CB SER A 26 -20.315 8.641 -5.558 1.00 0.00 C ATOM 367 OG SER A 26 -19.131 9.280 -6.002 1.00 0.00 O ATOM 0 H SER A 26 -20.548 10.716 -4.248 1.00 0.00 H new ATOM 0 HA SER A 26 -21.298 8.102 -3.725 1.00 0.00 H new ATOM 0 HB2 SER A 26 -20.341 7.617 -5.930 1.00 0.00 H new ATOM 0 HB3 SER A 26 -21.185 9.152 -5.971 1.00 0.00 H new ATOM 0 HG SER A 26 -18.758 8.786 -6.762 1.00 0.00 H new ATOM 373 N ALA A 27 -19.119 6.608 -3.665 1.00 0.00 N ATOM 374 CA ALA A 27 -18.011 5.805 -3.163 1.00 0.00 C ATOM 375 C ALA A 27 -17.317 5.057 -4.297 1.00 0.00 C ATOM 376 O ALA A 27 -17.967 4.574 -5.224 1.00 0.00 O ATOM 377 CB ALA A 27 -18.504 4.828 -2.107 1.00 0.00 C ATOM 0 H ALA A 27 -19.820 6.081 -4.186 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.284 6.477 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.666 4.235 -1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -18.947 5.381 -1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -19.253 4.167 -2.544 1.00 0.00 H new ATOM 383 N HIS A 28 -15.994 4.964 -4.216 1.00 0.00 N ATOM 384 CA HIS A 28 -15.212 4.274 -5.236 1.00 0.00 C ATOM 385 C HIS A 28 -14.613 2.985 -4.682 1.00 0.00 C ATOM 386 O HIS A 28 -14.221 2.923 -3.516 1.00 0.00 O ATOM 387 CB HIS A 28 -14.100 5.184 -5.758 1.00 0.00 C ATOM 388 CG HIS A 28 -14.601 6.336 -6.573 1.00 0.00 C ATOM 389 ND1 HIS A 28 -14.237 6.544 -7.887 1.00 0.00 N ATOM 390 CD2 HIS A 28 -15.445 7.345 -6.254 1.00 0.00 C ATOM 391 CE1 HIS A 28 -14.833 7.632 -8.340 1.00 0.00 C ATOM 392 NE2 HIS A 28 -15.573 8.137 -7.369 1.00 0.00 N ATOM 0 H HIS A 28 -15.441 5.358 -3.455 1.00 0.00 H new ATOM 0 HA HIS A 28 -15.879 4.019 -6.059 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.530 5.569 -4.912 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.413 4.593 -6.363 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -13.606 5.950 -8.425 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -15.928 7.499 -5.300 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.733 8.040 -9.335 1.00 0.00 H new ATOM 400 N CYS A 29 -14.547 1.960 -5.523 1.00 0.00 N ATOM 401 CA CYS A 29 -13.997 0.671 -5.117 1.00 0.00 C ATOM 402 C CYS A 29 -12.546 0.533 -5.566 1.00 0.00 C ATOM 403 O CYS A 29 -12.219 0.777 -6.728 1.00 0.00 O ATOM 404 CB CYS A 29 -14.834 -0.470 -5.697 1.00 0.00 C ATOM 405 SG CYS A 29 -14.300 -2.116 -5.175 1.00 0.00 S ATOM 0 H CYS A 29 -14.867 1.996 -6.491 1.00 0.00 H new ATOM 0 HA CYS A 29 -14.028 0.617 -4.029 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.875 -0.328 -5.405 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -14.798 -0.416 -6.785 1.00 0.00 H new ATOM 0 HG CYS A 29 -15.070 -3.014 -5.715 1.00 0.00 H new ATOM 411 N TYR A 30 -11.680 0.142 -4.638 1.00 0.00 N ATOM 412 CA TYR A 30 -10.262 -0.024 -4.937 1.00 0.00 C ATOM 413 C TYR A 30 -9.777 -1.410 -4.522 1.00 0.00 C ATOM 414 O TYR A 30 -10.499 -2.161 -3.867 1.00 0.00 O ATOM 415 CB TYR A 30 -9.440 1.051 -4.225 1.00 0.00 C ATOM 416 CG TYR A 30 -9.818 2.461 -4.618 1.00 0.00 C ATOM 417 CD1 TYR A 30 -9.687 2.897 -5.931 1.00 0.00 C ATOM 418 CD2 TYR A 30 -10.307 3.358 -3.676 1.00 0.00 C ATOM 419 CE1 TYR A 30 -10.030 4.185 -6.294 1.00 0.00 C ATOM 420 CE2 TYR A 30 -10.654 4.647 -4.030 1.00 0.00 C ATOM 421 CZ TYR A 30 -10.514 5.056 -5.340 1.00 0.00 C ATOM 422 OH TYR A 30 -10.858 6.339 -5.698 1.00 0.00 O ATOM 0 H TYR A 30 -11.935 -0.066 -3.672 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.129 0.081 -6.014 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.564 0.937 -3.148 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.384 0.893 -4.443 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.310 2.217 -6.681 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.418 3.042 -2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -9.920 4.508 -7.319 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.033 5.331 -3.285 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.666 6.319 -6.252 1.00 0.00 H new ATOM 432 N GLU A 31 -8.548 -1.739 -4.907 1.00 0.00 N ATOM 433 CA GLU A 31 -7.966 -3.034 -4.575 1.00 0.00 C ATOM 434 C GLU A 31 -6.455 -2.921 -4.396 1.00 0.00 C ATOM 435 O GLU A 31 -5.752 -2.409 -5.266 1.00 0.00 O ATOM 436 CB GLU A 31 -8.286 -4.057 -5.667 1.00 0.00 C ATOM 437 CG GLU A 31 -7.926 -5.484 -5.289 1.00 0.00 C ATOM 438 CD GLU A 31 -8.326 -6.488 -6.352 1.00 0.00 C ATOM 439 OE1 GLU A 31 -9.407 -6.319 -6.953 1.00 0.00 O ATOM 440 OE2 GLU A 31 -7.556 -7.444 -6.584 1.00 0.00 O ATOM 0 H GLU A 31 -7.937 -1.128 -5.448 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.402 -3.369 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.350 -4.009 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.750 -3.785 -6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.852 -5.550 -5.118 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.415 -5.741 -4.349 1.00 0.00 H new ATOM 447 N ALA A 32 -5.962 -3.404 -3.259 1.00 0.00 N ATOM 448 CA ALA A 32 -4.535 -3.359 -2.965 1.00 0.00 C ATOM 449 C ALA A 32 -4.015 -4.732 -2.557 1.00 0.00 C ATOM 450 O ALA A 32 -4.429 -5.285 -1.537 1.00 0.00 O ATOM 451 CB ALA A 32 -4.254 -2.339 -1.872 1.00 0.00 C ATOM 0 H ALA A 32 -6.530 -3.831 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.011 -3.057 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.185 -2.316 -1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.581 -1.353 -2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.795 -2.617 -0.967 1.00 0.00 H new ATOM 457 N ILE A 33 -3.108 -5.279 -3.359 1.00 0.00 N ATOM 458 CA ILE A 33 -2.531 -6.588 -3.079 1.00 0.00 C ATOM 459 C ILE A 33 -1.322 -6.472 -2.158 1.00 0.00 C ATOM 460 O ILE A 33 -0.497 -5.570 -2.310 1.00 0.00 O ATOM 461 CB ILE A 33 -2.108 -7.305 -4.375 1.00 0.00 C ATOM 462 CG1 ILE A 33 -3.124 -7.037 -5.487 1.00 0.00 C ATOM 463 CG2 ILE A 33 -1.965 -8.800 -4.131 1.00 0.00 C ATOM 464 CD1 ILE A 33 -4.540 -7.422 -5.118 1.00 0.00 C ATOM 0 H ILE A 33 -2.757 -4.836 -4.208 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.305 -7.174 -2.584 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.141 -6.913 -4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.099 -5.978 -5.743 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.827 -7.588 -6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.666 -9.293 -5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.208 -8.973 -3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.919 -9.207 -3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.206 -7.204 -5.953 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.580 -8.487 -4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.856 -6.852 -4.244 1.00 0.00 H new ATOM 476 N LEU A 34 -1.221 -7.390 -1.204 1.00 0.00 N ATOM 477 CA LEU A 34 -0.111 -7.392 -0.258 1.00 0.00 C ATOM 478 C LEU A 34 0.627 -8.727 -0.287 1.00 0.00 C ATOM 479 O LEU A 34 0.096 -9.751 0.146 1.00 0.00 O ATOM 480 CB LEU A 34 -0.619 -7.108 1.156 1.00 0.00 C ATOM 481 CG LEU A 34 0.427 -6.623 2.161 1.00 0.00 C ATOM 482 CD1 LEU A 34 0.883 -5.213 1.818 1.00 0.00 C ATOM 483 CD2 LEU A 34 -0.128 -6.676 3.577 1.00 0.00 C ATOM 0 H LEU A 34 -1.895 -8.143 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 34 0.585 -6.606 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.408 -6.359 1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.074 -8.018 1.547 1.00 0.00 H new ATOM 0 HG LEU A 34 1.290 -7.286 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.627 -4.885 2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.321 -5.205 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.028 -4.538 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.630 -6.327 4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.008 -6.037 3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.404 -7.702 3.821 1.00 0.00 H new ATOM 495 N TYR A 35 1.853 -8.709 -0.797 1.00 0.00 N ATOM 496 CA TYR A 35 2.663 -9.918 -0.882 1.00 0.00 C ATOM 497 C TYR A 35 3.445 -10.142 0.409 1.00 0.00 C ATOM 498 O TYR A 35 4.255 -9.308 0.809 1.00 0.00 O ATOM 499 CB TYR A 35 3.627 -9.829 -2.066 1.00 0.00 C ATOM 500 CG TYR A 35 2.933 -9.776 -3.409 1.00 0.00 C ATOM 501 CD1 TYR A 35 2.136 -8.693 -3.758 1.00 0.00 C ATOM 502 CD2 TYR A 35 3.075 -10.809 -4.327 1.00 0.00 C ATOM 503 CE1 TYR A 35 1.499 -8.640 -4.983 1.00 0.00 C ATOM 504 CE2 TYR A 35 2.443 -10.763 -5.555 1.00 0.00 C ATOM 505 CZ TYR A 35 1.657 -9.678 -5.878 1.00 0.00 C ATOM 506 OH TYR A 35 1.025 -9.630 -7.100 1.00 0.00 O ATOM 0 H TYR A 35 2.308 -7.870 -1.158 1.00 0.00 H new ATOM 0 HA TYR A 35 1.992 -10.764 -1.031 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.248 -8.941 -1.952 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.295 -10.690 -2.045 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.012 -7.878 -3.060 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.689 -11.662 -4.077 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.881 -7.792 -5.238 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.564 -11.574 -6.258 1.00 0.00 H new ATOM 0 HH TYR A 35 1.241 -10.438 -7.612 1.00 0.00 H new ATOM 516 N ASN A 36 3.195 -11.276 1.055 1.00 0.00 N ATOM 517 CA ASN A 36 3.875 -11.612 2.301 1.00 0.00 C ATOM 518 C ASN A 36 5.211 -12.294 2.025 1.00 0.00 C ATOM 519 O ASN A 36 5.255 -13.440 1.576 1.00 0.00 O ATOM 520 CB ASN A 36 2.993 -12.521 3.159 1.00 0.00 C ATOM 521 CG ASN A 36 3.682 -12.955 4.438 1.00 0.00 C ATOM 522 OD1 ASN A 36 4.260 -12.137 5.154 1.00 0.00 O ATOM 523 ND2 ASN A 36 3.625 -14.250 4.731 1.00 0.00 N ATOM 0 H ASN A 36 2.527 -11.978 0.737 1.00 0.00 H new ATOM 0 HA ASN A 36 4.065 -10.686 2.843 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.069 -11.998 3.407 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.715 -13.403 2.582 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.071 -14.601 5.578 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.135 -14.893 4.109 1.00 0.00 H new ATOM 530 N LYS A 37 6.300 -11.583 2.297 1.00 0.00 N ATOM 531 CA LYS A 37 7.639 -12.120 2.080 1.00 0.00 C ATOM 532 C LYS A 37 8.208 -12.700 3.371 1.00 0.00 C ATOM 533 O LYS A 37 9.373 -12.483 3.700 1.00 0.00 O ATOM 534 CB LYS A 37 8.568 -11.027 1.547 1.00 0.00 C ATOM 535 CG LYS A 37 8.222 -10.567 0.141 1.00 0.00 C ATOM 536 CD LYS A 37 8.644 -11.590 -0.900 1.00 0.00 C ATOM 537 CE LYS A 37 7.891 -11.397 -2.207 1.00 0.00 C ATOM 538 NZ LYS A 37 8.657 -11.924 -3.371 1.00 0.00 N ATOM 0 H LYS A 37 6.282 -10.633 2.668 1.00 0.00 H new ATOM 0 HA LYS A 37 7.568 -12.920 1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.531 -10.170 2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.593 -11.396 1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.148 -10.394 0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.713 -9.615 -0.063 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.716 -11.506 -1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.462 -12.595 -0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.926 -11.901 -2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.688 -10.337 -2.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.110 -11.774 -4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.567 -11.425 -3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.829 -12.941 -3.241 1.00 0.00 H new ATOM 552 N GLY A 38 7.377 -13.441 4.099 1.00 0.00 N ATOM 553 CA GLY A 38 7.817 -14.042 5.344 1.00 0.00 C ATOM 554 C GLY A 38 7.902 -15.553 5.260 1.00 0.00 C ATOM 555 O GLY A 38 7.110 -16.189 4.565 1.00 0.00 O ATOM 0 H GLY A 38 6.408 -13.635 3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.794 -13.641 5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.128 -13.764 6.142 1.00 0.00 H new ATOM 559 N SER A 39 8.867 -16.130 5.969 1.00 0.00 N ATOM 560 CA SER A 39 9.057 -17.576 5.967 1.00 0.00 C ATOM 561 C SER A 39 7.788 -18.291 6.422 1.00 0.00 C ATOM 562 O SER A 39 7.327 -19.232 5.775 1.00 0.00 O ATOM 563 CB SER A 39 10.226 -17.959 6.876 1.00 0.00 C ATOM 564 OG SER A 39 10.425 -19.362 6.887 1.00 0.00 O ATOM 0 H SER A 39 9.529 -15.618 6.552 1.00 0.00 H new ATOM 0 HA SER A 39 9.283 -17.887 4.947 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.134 -17.462 6.534 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.033 -17.608 7.890 1.00 0.00 H new ATOM 0 HG SER A 39 11.179 -19.581 7.474 1.00 0.00 H new ATOM 570 N ILE A 40 7.230 -17.838 7.539 1.00 0.00 N ATOM 571 CA ILE A 40 6.015 -18.433 8.081 1.00 0.00 C ATOM 572 C ILE A 40 4.869 -17.426 8.095 1.00 0.00 C ATOM 573 O ILE A 40 5.078 -16.229 7.900 1.00 0.00 O ATOM 574 CB ILE A 40 6.235 -18.962 9.510 1.00 0.00 C ATOM 575 CG1 ILE A 40 6.633 -17.818 10.445 1.00 0.00 C ATOM 576 CG2 ILE A 40 7.299 -20.050 9.514 1.00 0.00 C ATOM 577 CD1 ILE A 40 6.346 -18.102 11.903 1.00 0.00 C ATOM 0 H ILE A 40 7.600 -17.061 8.086 1.00 0.00 H new ATOM 0 HA ILE A 40 5.755 -19.268 7.430 1.00 0.00 H new ATOM 0 HB ILE A 40 5.301 -19.393 9.870 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.697 -17.615 10.325 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.101 -16.914 10.148 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.443 -20.414 10.531 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.979 -20.874 8.876 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.237 -19.643 9.138 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.653 -17.248 12.507 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.278 -18.275 12.037 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.899 -18.987 12.217 1.00 0.00 H new ATOM 589 N ASP A 41 3.658 -17.920 8.328 1.00 0.00 N ATOM 590 CA ASP A 41 2.478 -17.064 8.371 1.00 0.00 C ATOM 591 C ASP A 41 2.789 -15.744 9.070 1.00 0.00 C ATOM 592 O ASP A 41 3.469 -15.719 10.096 1.00 0.00 O ATOM 593 CB ASP A 41 1.330 -17.777 9.087 1.00 0.00 C ATOM 594 CG ASP A 41 0.581 -18.728 8.175 1.00 0.00 C ATOM 595 OD1 ASP A 41 1.242 -19.522 7.473 1.00 0.00 O ATOM 596 OD2 ASP A 41 -0.667 -18.680 8.164 1.00 0.00 O ATOM 0 H ASP A 41 3.468 -18.909 8.490 1.00 0.00 H new ATOM 0 HA ASP A 41 2.178 -16.849 7.345 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.725 -18.331 9.939 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.636 -17.035 9.483 1.00 0.00 H new ATOM 601 N ALA A 42 2.288 -14.650 8.507 1.00 0.00 N ATOM 602 CA ALA A 42 2.512 -13.327 9.078 1.00 0.00 C ATOM 603 C ALA A 42 1.201 -12.700 9.540 1.00 0.00 C ATOM 604 O ALA A 42 0.176 -12.811 8.867 1.00 0.00 O ATOM 605 CB ALA A 42 3.202 -12.425 8.065 1.00 0.00 C ATOM 0 H ALA A 42 1.725 -14.653 7.657 1.00 0.00 H new ATOM 0 HA ALA A 42 3.158 -13.439 9.949 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.363 -11.441 8.505 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.162 -12.859 7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.576 -12.328 7.178 1.00 0.00 H new ATOM 611 N LEU A 43 1.241 -12.041 10.693 1.00 0.00 N ATOM 612 CA LEU A 43 0.055 -11.396 11.247 1.00 0.00 C ATOM 613 C LEU A 43 0.071 -9.896 10.969 1.00 0.00 C ATOM 614 O LEU A 43 0.792 -9.141 11.621 1.00 0.00 O ATOM 615 CB LEU A 43 -0.029 -11.647 12.754 1.00 0.00 C ATOM 616 CG LEU A 43 -0.771 -12.913 13.183 1.00 0.00 C ATOM 617 CD1 LEU A 43 0.145 -14.124 13.095 1.00 0.00 C ATOM 618 CD2 LEU A 43 -1.318 -12.758 14.595 1.00 0.00 C ATOM 0 H LEU A 43 2.081 -11.939 11.262 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.822 -11.827 10.764 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.985 -11.692 13.152 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.516 -10.789 13.218 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.610 -13.067 12.504 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.400 -15.016 13.404 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.488 -14.247 12.068 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.004 -13.979 13.750 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.843 -13.669 14.884 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.495 -12.579 15.287 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.009 -11.915 14.627 1.00 0.00 H new ATOM 630 N PHE A 44 -0.730 -9.471 9.998 1.00 0.00 N ATOM 631 CA PHE A 44 -0.809 -8.061 9.635 1.00 0.00 C ATOM 632 C PHE A 44 -2.058 -7.415 10.229 1.00 0.00 C ATOM 633 O PHE A 44 -2.990 -8.104 10.640 1.00 0.00 O ATOM 634 CB PHE A 44 -0.816 -7.904 8.113 1.00 0.00 C ATOM 635 CG PHE A 44 -2.120 -8.292 7.476 1.00 0.00 C ATOM 636 CD1 PHE A 44 -2.466 -9.626 7.330 1.00 0.00 C ATOM 637 CD2 PHE A 44 -3.000 -7.323 7.023 1.00 0.00 C ATOM 638 CE1 PHE A 44 -3.665 -9.986 6.745 1.00 0.00 C ATOM 639 CE2 PHE A 44 -4.201 -7.677 6.437 1.00 0.00 C ATOM 640 CZ PHE A 44 -4.533 -9.010 6.297 1.00 0.00 C ATOM 0 H PHE A 44 -1.334 -10.083 9.448 1.00 0.00 H new ATOM 0 HA PHE A 44 0.068 -7.558 10.042 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.592 -6.867 7.862 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.018 -8.514 7.689 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.790 -10.393 7.678 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.745 -6.279 7.129 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.923 -11.029 6.638 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.879 -6.912 6.089 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.470 -9.289 5.838 1.00 0.00 H new ATOM 650 N ASN A 45 -2.066 -6.087 10.272 1.00 0.00 N ATOM 651 CA ASN A 45 -3.198 -5.347 10.818 1.00 0.00 C ATOM 652 C ASN A 45 -3.135 -3.878 10.410 1.00 0.00 C ATOM 653 O ASN A 45 -2.055 -3.295 10.317 1.00 0.00 O ATOM 654 CB ASN A 45 -3.224 -5.464 12.343 1.00 0.00 C ATOM 655 CG ASN A 45 -2.676 -6.792 12.830 1.00 0.00 C ATOM 656 OD1 ASN A 45 -3.420 -7.757 13.003 1.00 0.00 O ATOM 657 ND2 ASN A 45 -1.368 -6.846 13.054 1.00 0.00 N ATOM 0 H ASN A 45 -1.302 -5.501 9.936 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.112 -5.780 10.412 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.641 -4.652 12.777 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.248 -5.345 12.697 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.942 -7.713 13.383 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.789 -6.021 12.897 1.00 0.00 H new ATOM 664 N MET A 46 -4.300 -3.286 10.169 1.00 0.00 N ATOM 665 CA MET A 46 -4.377 -1.884 9.774 1.00 0.00 C ATOM 666 C MET A 46 -4.540 -0.983 10.994 1.00 0.00 C ATOM 667 O MET A 46 -5.232 -1.334 11.950 1.00 0.00 O ATOM 668 CB MET A 46 -5.543 -1.668 8.807 1.00 0.00 C ATOM 669 CG MET A 46 -5.408 -2.446 7.508 1.00 0.00 C ATOM 670 SD MET A 46 -3.974 -1.937 6.541 1.00 0.00 S ATOM 671 CE MET A 46 -4.384 -0.227 6.201 1.00 0.00 C ATOM 0 H MET A 46 -5.203 -3.755 10.240 1.00 0.00 H new ATOM 0 HA MET A 46 -3.445 -1.622 9.273 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.471 -1.958 9.300 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.622 -0.605 8.578 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.331 -3.510 7.732 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.310 -2.310 6.912 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.153 0.003 5.161 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.447 -0.065 6.381 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.802 0.423 6.854 1.00 0.00 H new ATOM 681 N THR A 47 -3.897 0.180 10.955 1.00 0.00 N ATOM 682 CA THR A 47 -3.969 1.130 12.058 1.00 0.00 C ATOM 683 C THR A 47 -5.069 2.159 11.826 1.00 0.00 C ATOM 684 O THR A 47 -5.246 2.676 10.723 1.00 0.00 O ATOM 685 CB THR A 47 -2.629 1.864 12.255 1.00 0.00 C ATOM 686 OG1 THR A 47 -1.591 0.920 12.543 1.00 0.00 O ATOM 687 CG2 THR A 47 -2.728 2.876 13.386 1.00 0.00 C ATOM 0 H THR A 47 -3.321 0.486 10.171 1.00 0.00 H new ATOM 0 HA THR A 47 -4.196 0.555 12.956 1.00 0.00 H new ATOM 0 HB THR A 47 -2.392 2.395 11.333 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.450 0.874 13.512 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.770 3.382 13.507 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.499 3.610 13.151 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.986 2.362 14.312 1.00 0.00 H new ATOM 695 N PRO A 48 -5.827 2.466 12.889 1.00 0.00 N ATOM 696 CA PRO A 48 -6.923 3.438 12.826 1.00 0.00 C ATOM 697 C PRO A 48 -6.422 4.867 12.648 1.00 0.00 C ATOM 698 O PRO A 48 -5.593 5.359 13.414 1.00 0.00 O ATOM 699 CB PRO A 48 -7.616 3.279 14.182 1.00 0.00 C ATOM 700 CG PRO A 48 -6.558 2.753 15.089 1.00 0.00 C ATOM 701 CD PRO A 48 -5.672 1.889 14.235 1.00 0.00 C ATOM 0 HA PRO A 48 -7.578 3.259 11.973 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.007 4.231 14.541 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.460 2.592 14.117 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.991 3.567 15.541 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -6.995 2.178 15.905 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -4.635 1.922 14.570 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.982 0.844 14.263 1.00 0.00 H new ATOM 709 N PRO A 49 -6.934 5.550 11.614 1.00 0.00 N ATOM 710 CA PRO A 49 -6.553 6.933 11.312 1.00 0.00 C ATOM 711 C PRO A 49 -7.078 7.919 12.350 1.00 0.00 C ATOM 712 O PRO A 49 -8.068 7.650 13.032 1.00 0.00 O ATOM 713 CB PRO A 49 -7.204 7.191 9.951 1.00 0.00 C ATOM 714 CG PRO A 49 -8.356 6.247 9.897 1.00 0.00 C ATOM 715 CD PRO A 49 -7.925 5.025 10.660 1.00 0.00 C ATOM 0 HA PRO A 49 -5.471 7.068 11.315 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.535 8.225 9.860 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.504 7.008 9.136 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.246 6.691 10.342 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.607 5.996 8.866 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.764 4.554 11.171 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.490 4.273 10.002 1.00 0.00 H new ATOM 723 N THR A 50 -6.409 9.062 12.465 1.00 0.00 N ATOM 724 CA THR A 50 -6.808 10.087 13.421 1.00 0.00 C ATOM 725 C THR A 50 -7.101 11.409 12.719 1.00 0.00 C ATOM 726 O THR A 50 -6.857 12.482 13.269 1.00 0.00 O ATOM 727 CB THR A 50 -5.720 10.316 14.487 1.00 0.00 C ATOM 728 OG1 THR A 50 -5.279 9.059 15.014 1.00 0.00 O ATOM 729 CG2 THR A 50 -6.244 11.189 15.616 1.00 0.00 C ATOM 0 H THR A 50 -5.589 9.301 11.908 1.00 0.00 H new ATOM 0 HA THR A 50 -7.714 9.728 13.909 1.00 0.00 H new ATOM 0 HB THR A 50 -4.881 10.826 14.014 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.586 9.213 15.690 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.458 11.337 16.357 1.00 0.00 H new ATOM 0 HG22 THR A 50 -6.552 12.155 15.216 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.098 10.702 16.086 1.00 0.00 H new ATOM 737 N SER A 51 -7.625 11.323 11.500 1.00 0.00 N ATOM 738 CA SER A 51 -7.948 12.512 10.721 1.00 0.00 C ATOM 739 C SER A 51 -9.343 12.401 10.113 1.00 0.00 C ATOM 740 O SER A 51 -9.948 11.329 10.112 1.00 0.00 O ATOM 741 CB SER A 51 -6.912 12.720 9.615 1.00 0.00 C ATOM 742 OG SER A 51 -6.748 11.544 8.842 1.00 0.00 O ATOM 0 H SER A 51 -7.835 10.442 11.031 1.00 0.00 H new ATOM 0 HA SER A 51 -7.930 13.371 11.391 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.224 13.542 8.971 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.957 13.005 10.056 1.00 0.00 H new ATOM 0 HG SER A 51 -6.722 11.779 7.891 1.00 0.00 H new ATOM 748 N ALA A 52 -9.847 13.517 9.597 1.00 0.00 N ATOM 749 CA ALA A 52 -11.169 13.545 8.983 1.00 0.00 C ATOM 750 C ALA A 52 -11.224 12.643 7.755 1.00 0.00 C ATOM 751 O ALA A 52 -12.021 11.706 7.696 1.00 0.00 O ATOM 752 CB ALA A 52 -11.547 14.971 8.611 1.00 0.00 C ATOM 0 H ALA A 52 -9.360 14.413 9.592 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.888 13.168 9.710 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.536 14.978 8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.558 15.590 9.508 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.818 15.368 7.905 1.00 0.00 H new ATOM 758 N LEU A 53 -10.374 12.933 6.776 1.00 0.00 N ATOM 759 CA LEU A 53 -10.327 12.148 5.547 1.00 0.00 C ATOM 760 C LEU A 53 -10.049 10.679 5.850 1.00 0.00 C ATOM 761 O LEU A 53 -10.895 9.816 5.620 1.00 0.00 O ATOM 762 CB LEU A 53 -9.252 12.698 4.608 1.00 0.00 C ATOM 763 CG LEU A 53 -9.703 13.794 3.642 1.00 0.00 C ATOM 764 CD1 LEU A 53 -10.849 13.301 2.772 1.00 0.00 C ATOM 765 CD2 LEU A 53 -10.112 15.045 4.407 1.00 0.00 C ATOM 0 H LEU A 53 -9.708 13.705 6.809 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.299 12.223 5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.434 13.089 5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.849 11.870 4.025 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.864 14.047 2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.156 14.095 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.522 12.435 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.691 13.019 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.430 15.814 3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.935 14.807 5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.264 15.411 4.986 1.00 0.00 H new ATOM 777 N GLY A 54 -8.857 10.402 6.371 1.00 0.00 N ATOM 778 CA GLY A 54 -8.490 9.037 6.699 1.00 0.00 C ATOM 779 C GLY A 54 -9.653 8.242 7.259 1.00 0.00 C ATOM 780 O GLY A 54 -9.994 7.180 6.741 1.00 0.00 O ATOM 0 H GLY A 54 -8.139 11.099 6.572 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.112 8.541 5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.678 9.047 7.426 1.00 0.00 H new ATOM 784 N ALA A 55 -10.262 8.758 8.322 1.00 0.00 N ATOM 785 CA ALA A 55 -11.393 8.089 8.953 1.00 0.00 C ATOM 786 C ALA A 55 -12.319 7.474 7.910 1.00 0.00 C ATOM 787 O ALA A 55 -12.582 6.271 7.931 1.00 0.00 O ATOM 788 CB ALA A 55 -12.160 9.066 9.832 1.00 0.00 C ATOM 0 H ALA A 55 -9.991 9.637 8.764 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.005 7.283 9.576 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.002 8.553 10.297 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.499 9.455 10.607 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.529 9.891 9.223 1.00 0.00 H new ATOM 794 N CYS A 56 -12.811 8.306 6.998 1.00 0.00 N ATOM 795 CA CYS A 56 -13.710 7.843 5.947 1.00 0.00 C ATOM 796 C CYS A 56 -13.210 6.535 5.341 1.00 0.00 C ATOM 797 O CYS A 56 -13.931 5.538 5.312 1.00 0.00 O ATOM 798 CB CYS A 56 -13.841 8.907 4.855 1.00 0.00 C ATOM 799 SG CYS A 56 -15.031 10.214 5.238 1.00 0.00 S ATOM 0 H CYS A 56 -12.602 9.304 6.965 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.689 7.666 6.392 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.864 9.359 4.683 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.136 8.423 3.924 1.00 0.00 H new ATOM 0 HG CYS A 56 -15.976 10.216 4.345 1.00 0.00 H new ATOM 805 N PHE A 57 -11.973 6.547 4.858 1.00 0.00 N ATOM 806 CA PHE A 57 -11.378 5.363 4.250 1.00 0.00 C ATOM 807 C PHE A 57 -11.656 4.121 5.093 1.00 0.00 C ATOM 808 O PHE A 57 -11.696 4.187 6.321 1.00 0.00 O ATOM 809 CB PHE A 57 -9.869 5.552 4.084 1.00 0.00 C ATOM 810 CG PHE A 57 -9.501 6.500 2.978 1.00 0.00 C ATOM 811 CD1 PHE A 57 -9.465 7.867 3.203 1.00 0.00 C ATOM 812 CD2 PHE A 57 -9.192 6.024 1.714 1.00 0.00 C ATOM 813 CE1 PHE A 57 -9.129 8.741 2.187 1.00 0.00 C ATOM 814 CE2 PHE A 57 -8.854 6.893 0.694 1.00 0.00 C ATOM 815 CZ PHE A 57 -8.821 8.254 0.931 1.00 0.00 C ATOM 0 H PHE A 57 -11.362 7.364 4.876 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.830 5.224 3.268 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.452 5.920 5.021 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.409 4.583 3.889 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.702 8.253 4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.216 4.961 1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.107 9.804 2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.616 6.509 -0.287 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.555 8.935 0.136 1.00 0.00 H new ATOM 825 N VAL A 58 -11.849 2.990 4.423 1.00 0.00 N ATOM 826 CA VAL A 58 -12.124 1.732 5.108 1.00 0.00 C ATOM 827 C VAL A 58 -11.272 0.601 4.543 1.00 0.00 C ATOM 828 O VAL A 58 -11.513 0.122 3.435 1.00 0.00 O ATOM 829 CB VAL A 58 -13.610 1.346 4.997 1.00 0.00 C ATOM 830 CG1 VAL A 58 -13.863 -0.001 5.659 1.00 0.00 C ATOM 831 CG2 VAL A 58 -14.488 2.424 5.613 1.00 0.00 C ATOM 0 H VAL A 58 -11.820 2.919 3.406 1.00 0.00 H new ATOM 0 HA VAL A 58 -11.873 1.882 6.158 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.867 1.260 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -14.919 -0.257 5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.262 -0.766 5.168 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.590 0.055 6.713 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.535 2.134 5.526 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.232 2.545 6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.327 3.367 5.090 1.00 0.00 H new ATOM 841 N PHE A 59 -10.274 0.178 5.312 1.00 0.00 N ATOM 842 CA PHE A 59 -9.385 -0.897 4.889 1.00 0.00 C ATOM 843 C PHE A 59 -9.759 -2.211 5.568 1.00 0.00 C ATOM 844 O PHE A 59 -9.976 -2.256 6.779 1.00 0.00 O ATOM 845 CB PHE A 59 -7.931 -0.541 5.207 1.00 0.00 C ATOM 846 CG PHE A 59 -7.356 0.502 4.292 1.00 0.00 C ATOM 847 CD1 PHE A 59 -7.783 1.818 4.365 1.00 0.00 C ATOM 848 CD2 PHE A 59 -6.388 0.167 3.360 1.00 0.00 C ATOM 849 CE1 PHE A 59 -7.255 2.780 3.524 1.00 0.00 C ATOM 850 CE2 PHE A 59 -5.856 1.124 2.516 1.00 0.00 C ATOM 851 CZ PHE A 59 -6.290 2.433 2.599 1.00 0.00 C ATOM 0 H PHE A 59 -10.061 0.564 6.232 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.494 -1.021 3.812 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.869 -0.185 6.235 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.322 -1.443 5.145 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.537 2.095 5.087 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.044 -0.855 3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.597 3.802 3.590 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.102 0.849 1.793 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.876 3.183 1.942 1.00 0.00 H new ATOM 861 N SER A 60 -9.832 -3.278 4.779 1.00 0.00 N ATOM 862 CA SER A 60 -10.184 -4.593 5.303 1.00 0.00 C ATOM 863 C SER A 60 -9.508 -5.698 4.496 1.00 0.00 C ATOM 864 O SER A 60 -9.075 -5.497 3.361 1.00 0.00 O ATOM 865 CB SER A 60 -11.701 -4.785 5.280 1.00 0.00 C ATOM 866 OG SER A 60 -12.288 -4.356 6.496 1.00 0.00 O ATOM 0 H SER A 60 -9.652 -3.258 3.775 1.00 0.00 H new ATOM 0 HA SER A 60 -9.833 -4.652 6.333 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.129 -4.225 4.449 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.935 -5.836 5.110 1.00 0.00 H new ATOM 0 HG SER A 60 -11.760 -3.622 6.873 1.00 0.00 H new ATOM 872 N PRO A 61 -9.414 -6.894 5.095 1.00 0.00 N ATOM 873 CA PRO A 61 -9.925 -7.145 6.446 1.00 0.00 C ATOM 874 C PRO A 61 -9.105 -6.435 7.517 1.00 0.00 C ATOM 875 O PRO A 61 -7.875 -6.423 7.465 1.00 0.00 O ATOM 876 CB PRO A 61 -9.801 -8.664 6.596 1.00 0.00 C ATOM 877 CG PRO A 61 -8.709 -9.049 5.658 1.00 0.00 C ATOM 878 CD PRO A 61 -8.802 -8.094 4.500 1.00 0.00 C ATOM 0 HA PRO A 61 -10.941 -6.772 6.573 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.558 -8.942 7.622 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.736 -9.165 6.343 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.735 -8.980 6.143 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.827 -10.080 5.324 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.821 -7.877 4.078 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.413 -8.499 3.693 1.00 0.00 H new ATOM 886 N LYS A 62 -9.793 -5.845 8.488 1.00 0.00 N ATOM 887 CA LYS A 62 -9.128 -5.134 9.574 1.00 0.00 C ATOM 888 C LYS A 62 -7.813 -5.812 9.944 1.00 0.00 C ATOM 889 O LYS A 62 -6.855 -5.151 10.342 1.00 0.00 O ATOM 890 CB LYS A 62 -10.041 -5.065 10.800 1.00 0.00 C ATOM 891 CG LYS A 62 -10.522 -6.425 11.277 1.00 0.00 C ATOM 892 CD LYS A 62 -10.842 -6.413 12.763 1.00 0.00 C ATOM 893 CE LYS A 62 -12.249 -5.899 13.026 1.00 0.00 C ATOM 894 NZ LYS A 62 -12.428 -5.471 14.441 1.00 0.00 N ATOM 0 H LYS A 62 -10.811 -5.845 8.545 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.911 -4.122 9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.508 -4.572 11.613 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.906 -4.445 10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.409 -6.716 10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.757 -7.174 11.075 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.740 -7.421 13.166 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.121 -5.786 13.287 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.459 -5.059 12.363 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.971 -6.680 12.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.400 -5.127 14.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.253 -6.278 15.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.756 -4.708 14.660 1.00 0.00 H new ATOM 908 N GLU A 63 -7.775 -7.134 9.808 1.00 0.00 N ATOM 909 CA GLU A 63 -6.576 -7.900 10.127 1.00 0.00 C ATOM 910 C GLU A 63 -6.755 -9.370 9.759 1.00 0.00 C ATOM 911 O GLU A 63 -7.862 -9.815 9.460 1.00 0.00 O ATOM 912 CB GLU A 63 -6.244 -7.772 11.616 1.00 0.00 C ATOM 913 CG GLU A 63 -7.128 -8.623 12.511 1.00 0.00 C ATOM 914 CD GLU A 63 -6.593 -8.732 13.926 1.00 0.00 C ATOM 915 OE1 GLU A 63 -5.745 -9.614 14.174 1.00 0.00 O ATOM 916 OE2 GLU A 63 -7.022 -7.933 14.785 1.00 0.00 O ATOM 0 H GLU A 63 -8.560 -7.696 9.479 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.751 -7.495 9.541 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.203 -8.054 11.773 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.339 -6.727 11.913 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.130 -8.196 12.537 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.218 -9.621 12.083 1.00 0.00 H new ATOM 923 N GLY A 64 -5.656 -10.118 9.783 1.00 0.00 N ATOM 924 CA GLY A 64 -5.713 -11.529 9.450 1.00 0.00 C ATOM 925 C GLY A 64 -4.336 -12.143 9.290 1.00 0.00 C ATOM 926 O GLY A 64 -3.366 -11.670 9.884 1.00 0.00 O ATOM 0 H GLY A 64 -4.728 -9.772 10.027 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.257 -12.062 10.230 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.275 -11.658 8.525 1.00 0.00 H new ATOM 930 N ILE A 65 -4.250 -13.198 8.487 1.00 0.00 N ATOM 931 CA ILE A 65 -2.981 -13.877 8.252 1.00 0.00 C ATOM 932 C ILE A 65 -2.702 -14.018 6.760 1.00 0.00 C ATOM 933 O ILE A 65 -3.565 -14.447 5.994 1.00 0.00 O ATOM 934 CB ILE A 65 -2.961 -15.273 8.901 1.00 0.00 C ATOM 935 CG1 ILE A 65 -3.171 -15.160 10.412 1.00 0.00 C ATOM 936 CG2 ILE A 65 -1.650 -15.981 8.595 1.00 0.00 C ATOM 937 CD1 ILE A 65 -3.427 -16.490 11.088 1.00 0.00 C ATOM 0 H ILE A 65 -5.043 -13.601 7.988 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.205 -13.263 8.708 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.776 -15.863 8.483 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.291 -14.698 10.859 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.013 -14.495 10.605 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.651 -16.966 9.061 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.538 -16.090 7.516 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.819 -15.395 8.989 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.567 -16.334 12.158 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.324 -16.945 10.668 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.575 -17.150 10.926 1.00 0.00 H new ATOM 949 N ILE A 66 -1.489 -13.656 6.354 1.00 0.00 N ATOM 950 CA ILE A 66 -1.095 -13.746 4.953 1.00 0.00 C ATOM 951 C ILE A 66 -0.078 -14.861 4.739 1.00 0.00 C ATOM 952 O ILE A 66 1.125 -14.657 4.899 1.00 0.00 O ATOM 953 CB ILE A 66 -0.497 -12.418 4.451 1.00 0.00 C ATOM 954 CG1 ILE A 66 -1.445 -11.257 4.761 1.00 0.00 C ATOM 955 CG2 ILE A 66 -0.217 -12.495 2.958 1.00 0.00 C ATOM 956 CD1 ILE A 66 -0.888 -9.904 4.378 1.00 0.00 C ATOM 0 H ILE A 66 -0.763 -13.298 6.975 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.998 -13.967 4.384 1.00 0.00 H new ATOM 0 HB ILE A 66 0.445 -12.242 4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.386 -11.416 4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.672 -11.259 5.827 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.205 -11.549 2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.491 -13.300 2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.146 -12.691 2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.613 -9.129 4.626 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.038 -9.724 4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.687 -9.883 3.307 1.00 0.00 H new ATOM 968 N GLU A 67 -0.570 -16.041 4.374 1.00 0.00 N ATOM 969 CA GLU A 67 0.297 -17.189 4.136 1.00 0.00 C ATOM 970 C GLU A 67 1.619 -16.753 3.510 1.00 0.00 C ATOM 971 O GLU A 67 1.693 -15.761 2.784 1.00 0.00 O ATOM 972 CB GLU A 67 -0.400 -18.203 3.226 1.00 0.00 C ATOM 973 CG GLU A 67 -0.550 -17.730 1.790 1.00 0.00 C ATOM 974 CD GLU A 67 -1.384 -18.676 0.948 1.00 0.00 C ATOM 975 OE1 GLU A 67 -2.512 -19.008 1.368 1.00 0.00 O ATOM 976 OE2 GLU A 67 -0.906 -19.086 -0.131 1.00 0.00 O ATOM 0 H GLU A 67 -1.564 -16.227 4.237 1.00 0.00 H new ATOM 0 HA GLU A 67 0.507 -17.658 5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.165 -19.135 3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.387 -18.424 3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.010 -16.742 1.783 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.438 -17.625 1.341 1.00 0.00 H new ATOM 983 N PRO A 68 2.688 -17.510 3.799 1.00 0.00 N ATOM 984 CA PRO A 68 4.026 -17.221 3.275 1.00 0.00 C ATOM 985 C PRO A 68 4.129 -17.474 1.775 1.00 0.00 C ATOM 986 O PRO A 68 3.506 -18.395 1.247 1.00 0.00 O ATOM 987 CB PRO A 68 4.925 -18.193 4.044 1.00 0.00 C ATOM 988 CG PRO A 68 4.026 -19.318 4.427 1.00 0.00 C ATOM 989 CD PRO A 68 2.672 -18.706 4.657 1.00 0.00 C ATOM 0 HA PRO A 68 4.297 -16.173 3.405 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.753 -18.540 3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.361 -17.718 4.923 1.00 0.00 H new ATOM 0 HG2 PRO A 68 3.985 -20.071 3.640 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.387 -19.817 5.326 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.870 -19.389 4.379 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.521 -18.447 5.705 1.00 0.00 H new ATOM 997 N SER A 69 4.919 -16.651 1.093 1.00 0.00 N ATOM 998 CA SER A 69 5.101 -16.784 -0.347 1.00 0.00 C ATOM 999 C SER A 69 3.764 -16.676 -1.076 1.00 0.00 C ATOM 1000 O SER A 69 3.578 -17.258 -2.143 1.00 0.00 O ATOM 1001 CB SER A 69 5.769 -18.120 -0.677 1.00 0.00 C ATOM 1002 OG SER A 69 7.065 -18.197 -0.109 1.00 0.00 O ATOM 0 H SER A 69 5.443 -15.885 1.515 1.00 0.00 H new ATOM 0 HA SER A 69 5.745 -15.972 -0.684 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.155 -18.939 -0.302 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.835 -18.240 -1.758 1.00 0.00 H new ATOM 0 HG SER A 69 7.470 -19.061 -0.333 1.00 0.00 H new ATOM 1008 N GLY A 70 2.836 -15.927 -0.489 1.00 0.00 N ATOM 1009 CA GLY A 70 1.529 -15.756 -1.094 1.00 0.00 C ATOM 1010 C GLY A 70 1.138 -14.298 -1.228 1.00 0.00 C ATOM 1011 O GLY A 70 1.997 -13.426 -1.360 1.00 0.00 O ATOM 0 H GLY A 70 2.966 -15.435 0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.524 -16.222 -2.079 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.783 -16.275 -0.492 1.00 0.00 H new ATOM 1015 N VAL A 71 -0.164 -14.030 -1.196 1.00 0.00 N ATOM 1016 CA VAL A 71 -0.668 -12.667 -1.316 1.00 0.00 C ATOM 1017 C VAL A 71 -2.021 -12.519 -0.629 1.00 0.00 C ATOM 1018 O VAL A 71 -2.712 -13.506 -0.380 1.00 0.00 O ATOM 1019 CB VAL A 71 -0.804 -12.247 -2.791 1.00 0.00 C ATOM 1020 CG1 VAL A 71 0.566 -12.117 -3.439 1.00 0.00 C ATOM 1021 CG2 VAL A 71 -1.670 -13.241 -3.550 1.00 0.00 C ATOM 0 H VAL A 71 -0.889 -14.739 -1.088 1.00 0.00 H new ATOM 0 HA VAL A 71 0.057 -12.017 -0.827 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.291 -11.272 -2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.449 -11.820 -4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.149 -11.363 -2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.083 -13.075 -3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.755 -12.929 -4.591 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.214 -14.230 -3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.662 -13.278 -3.100 1.00 0.00 H new ATOM 1031 N GLN A 72 -2.392 -11.279 -0.327 1.00 0.00 N ATOM 1032 CA GLN A 72 -3.663 -11.002 0.331 1.00 0.00 C ATOM 1033 C GLN A 72 -4.309 -9.744 -0.240 1.00 0.00 C ATOM 1034 O GLN A 72 -3.753 -8.650 -0.143 1.00 0.00 O ATOM 1035 CB GLN A 72 -3.458 -10.845 1.838 1.00 0.00 C ATOM 1036 CG GLN A 72 -4.709 -10.404 2.581 1.00 0.00 C ATOM 1037 CD GLN A 72 -5.927 -11.227 2.212 1.00 0.00 C ATOM 1038 OE1 GLN A 72 -5.846 -12.448 2.069 1.00 0.00 O ATOM 1039 NE2 GLN A 72 -7.066 -10.563 2.054 1.00 0.00 N ATOM 0 H GLN A 72 -1.831 -10.451 -0.527 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.329 -11.845 0.148 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.117 -11.794 2.250 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.666 -10.118 2.014 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.535 -10.480 3.654 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -4.905 -9.354 2.363 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.089 -9.551 2.182 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.918 -11.065 1.805 1.00 0.00 H new ATOM 1048 N ALA A 73 -5.486 -9.906 -0.835 1.00 0.00 N ATOM 1049 CA ALA A 73 -6.208 -8.783 -1.420 1.00 0.00 C ATOM 1050 C ALA A 73 -6.846 -7.918 -0.339 1.00 0.00 C ATOM 1051 O ALA A 73 -7.592 -8.414 0.506 1.00 0.00 O ATOM 1052 CB ALA A 73 -7.267 -9.285 -2.391 1.00 0.00 C ATOM 0 H ALA A 73 -5.960 -10.805 -0.925 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.493 -8.167 -1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.799 -8.436 -2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.789 -9.855 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.973 -9.924 -1.861 1.00 0.00 H new ATOM 1058 N ILE A 74 -6.547 -6.623 -0.371 1.00 0.00 N ATOM 1059 CA ILE A 74 -7.092 -5.690 0.606 1.00 0.00 C ATOM 1060 C ILE A 74 -8.179 -4.817 -0.013 1.00 0.00 C ATOM 1061 O ILE A 74 -7.938 -4.111 -0.991 1.00 0.00 O ATOM 1062 CB ILE A 74 -5.994 -4.783 1.192 1.00 0.00 C ATOM 1063 CG1 ILE A 74 -4.850 -5.629 1.755 1.00 0.00 C ATOM 1064 CG2 ILE A 74 -6.573 -3.880 2.271 1.00 0.00 C ATOM 1065 CD1 ILE A 74 -5.075 -6.075 3.183 1.00 0.00 C ATOM 0 H ILE A 74 -5.930 -6.197 -1.063 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.523 -6.290 1.407 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.598 -4.155 0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.715 -6.508 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.925 -5.055 1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.785 -3.245 2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.357 -3.256 1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.993 -4.491 3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.225 -6.670 3.517 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.180 -5.200 3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.982 -6.676 3.238 1.00 0.00 H new ATOM 1077 N GLN A 75 -9.375 -4.871 0.565 1.00 0.00 N ATOM 1078 CA GLN A 75 -10.498 -4.085 0.070 1.00 0.00 C ATOM 1079 C GLN A 75 -10.492 -2.686 0.676 1.00 0.00 C ATOM 1080 O GLN A 75 -10.662 -2.522 1.885 1.00 0.00 O ATOM 1081 CB GLN A 75 -11.819 -4.787 0.390 1.00 0.00 C ATOM 1082 CG GLN A 75 -12.106 -5.981 -0.506 1.00 0.00 C ATOM 1083 CD GLN A 75 -12.348 -5.584 -1.949 1.00 0.00 C ATOM 1084 OE1 GLN A 75 -13.447 -5.167 -2.314 1.00 0.00 O ATOM 1085 NE2 GLN A 75 -11.319 -5.712 -2.778 1.00 0.00 N ATOM 0 H GLN A 75 -9.591 -5.451 1.376 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.396 -3.993 -1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.803 -5.118 1.428 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.634 -4.069 0.297 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.267 -6.675 -0.460 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.980 -6.512 -0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.426 -6.062 -2.432 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.422 -5.460 -3.761 1.00 0.00 H new ATOM 1094 N ILE A 76 -10.297 -1.680 -0.170 1.00 0.00 N ATOM 1095 CA ILE A 76 -10.269 -0.295 0.283 1.00 0.00 C ATOM 1096 C ILE A 76 -11.499 0.466 -0.202 1.00 0.00 C ATOM 1097 O ILE A 76 -11.879 0.373 -1.369 1.00 0.00 O ATOM 1098 CB ILE A 76 -9.003 0.433 -0.207 1.00 0.00 C ATOM 1099 CG1 ILE A 76 -7.749 -0.298 0.279 1.00 0.00 C ATOM 1100 CG2 ILE A 76 -9.002 1.876 0.275 1.00 0.00 C ATOM 1101 CD1 ILE A 76 -6.505 0.050 -0.508 1.00 0.00 C ATOM 0 H ILE A 76 -10.156 -1.798 -1.173 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.265 -0.319 1.373 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.001 0.435 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.583 -0.060 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.918 -1.373 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.101 2.377 -0.079 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.881 2.390 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.024 1.896 1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.655 -0.504 -0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.651 -0.214 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.311 1.120 -0.427 1.00 0.00 H new ATOM 1113 N SER A 77 -12.115 1.220 0.702 1.00 0.00 N ATOM 1114 CA SER A 77 -13.303 1.997 0.368 1.00 0.00 C ATOM 1115 C SER A 77 -13.204 3.412 0.929 1.00 0.00 C ATOM 1116 O SER A 77 -13.028 3.604 2.133 1.00 0.00 O ATOM 1117 CB SER A 77 -14.558 1.308 0.910 1.00 0.00 C ATOM 1118 OG SER A 77 -15.708 2.111 0.707 1.00 0.00 O ATOM 0 H SER A 77 -11.811 1.310 1.672 1.00 0.00 H new ATOM 0 HA SER A 77 -13.371 2.060 -0.718 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.691 0.346 0.416 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.435 1.106 1.974 1.00 0.00 H new ATOM 0 HG SER A 77 -16.496 1.648 1.060 1.00 0.00 H new ATOM 1124 N PHE A 78 -13.317 4.401 0.049 1.00 0.00 N ATOM 1125 CA PHE A 78 -13.239 5.799 0.455 1.00 0.00 C ATOM 1126 C PHE A 78 -14.470 6.571 -0.011 1.00 0.00 C ATOM 1127 O PHE A 78 -15.033 6.282 -1.067 1.00 0.00 O ATOM 1128 CB PHE A 78 -11.973 6.446 -0.111 1.00 0.00 C ATOM 1129 CG PHE A 78 -11.891 7.925 0.142 1.00 0.00 C ATOM 1130 CD1 PHE A 78 -11.980 8.427 1.430 1.00 0.00 C ATOM 1131 CD2 PHE A 78 -11.727 8.812 -0.910 1.00 0.00 C ATOM 1132 CE1 PHE A 78 -11.905 9.787 1.666 1.00 0.00 C ATOM 1133 CE2 PHE A 78 -11.651 10.173 -0.680 1.00 0.00 C ATOM 1134 CZ PHE A 78 -11.741 10.661 0.609 1.00 0.00 C ATOM 0 H PHE A 78 -13.463 4.260 -0.951 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.201 5.834 1.544 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.100 5.962 0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.932 6.266 -1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.110 7.748 2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -11.658 8.436 -1.920 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -11.975 10.166 2.675 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -11.521 10.854 -1.508 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.683 11.724 0.790 1.00 0.00 H new ATOM 1144 N SER A 79 -14.882 7.553 0.784 1.00 0.00 N ATOM 1145 CA SER A 79 -16.048 8.363 0.457 1.00 0.00 C ATOM 1146 C SER A 79 -16.212 9.507 1.453 1.00 0.00 C ATOM 1147 O SER A 79 -16.594 9.293 2.603 1.00 0.00 O ATOM 1148 CB SER A 79 -17.310 7.498 0.444 1.00 0.00 C ATOM 1149 OG SER A 79 -17.596 6.995 1.738 1.00 0.00 O ATOM 0 H SER A 79 -14.425 7.807 1.660 1.00 0.00 H new ATOM 0 HA SER A 79 -15.897 8.787 -0.536 1.00 0.00 H new ATOM 0 HB2 SER A 79 -18.154 8.086 0.084 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.179 6.669 -0.251 1.00 0.00 H new ATOM 0 HG SER A 79 -17.312 7.647 2.412 1.00 0.00 H new ATOM 1155 N SER A 80 -15.921 10.723 1.001 1.00 0.00 N ATOM 1156 CA SER A 80 -16.031 11.902 1.853 1.00 0.00 C ATOM 1157 C SER A 80 -16.731 13.040 1.117 1.00 0.00 C ATOM 1158 O SER A 80 -17.103 12.904 -0.050 1.00 0.00 O ATOM 1159 CB SER A 80 -14.645 12.355 2.315 1.00 0.00 C ATOM 1160 OG SER A 80 -14.717 13.021 3.564 1.00 0.00 O ATOM 0 H SER A 80 -15.607 10.918 0.050 1.00 0.00 H new ATOM 0 HA SER A 80 -16.627 11.635 2.725 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.985 11.491 2.397 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.209 13.020 1.569 1.00 0.00 H new ATOM 0 HG SER A 80 -14.821 12.361 4.281 1.00 0.00 H new ATOM 1166 N ILE A 81 -16.908 14.162 1.806 1.00 0.00 N ATOM 1167 CA ILE A 81 -17.562 15.324 1.218 1.00 0.00 C ATOM 1168 C ILE A 81 -16.593 16.495 1.093 1.00 0.00 C ATOM 1169 O ILE A 81 -16.794 17.396 0.278 1.00 0.00 O ATOM 1170 CB ILE A 81 -18.779 15.767 2.052 1.00 0.00 C ATOM 1171 CG1 ILE A 81 -18.342 16.162 3.463 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -19.816 14.655 2.105 1.00 0.00 C ATOM 1173 CD1 ILE A 81 -17.990 17.627 3.599 1.00 0.00 C ATOM 0 H ILE A 81 -16.608 14.291 2.772 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.900 15.027 0.225 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.230 16.637 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -19.143 15.923 4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -17.479 15.561 3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.670 14.982 2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.146 14.417 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -19.376 13.768 2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -17.689 17.835 4.626 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.169 17.868 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.858 18.235 3.345 1.00 0.00 H new ATOM 1185 N ILE A 82 -15.541 16.475 1.905 1.00 0.00 N ATOM 1186 CA ILE A 82 -14.540 17.534 1.883 1.00 0.00 C ATOM 1187 C ILE A 82 -13.879 17.637 0.512 1.00 0.00 C ATOM 1188 O ILE A 82 -13.083 16.779 0.128 1.00 0.00 O ATOM 1189 CB ILE A 82 -13.452 17.302 2.948 1.00 0.00 C ATOM 1190 CG1 ILE A 82 -14.069 17.309 4.348 1.00 0.00 C ATOM 1191 CG2 ILE A 82 -12.366 18.363 2.836 1.00 0.00 C ATOM 1192 CD1 ILE A 82 -14.554 15.950 4.801 1.00 0.00 C ATOM 0 H ILE A 82 -15.360 15.737 2.586 1.00 0.00 H new ATOM 0 HA ILE A 82 -15.061 18.466 2.104 1.00 0.00 H new ATOM 0 HB ILE A 82 -12.998 16.326 2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -13.331 17.678 5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -14.905 18.008 4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -11.604 18.186 3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -11.911 18.315 1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -12.804 19.350 2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -14.979 16.030 5.801 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -15.316 15.587 4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.717 15.252 4.817 1.00 0.00 H new ATOM 1204 N LEU A 83 -14.213 18.694 -0.221 1.00 0.00 N ATOM 1205 CA LEU A 83 -13.651 18.912 -1.550 1.00 0.00 C ATOM 1206 C LEU A 83 -12.197 19.363 -1.458 1.00 0.00 C ATOM 1207 O LEU A 83 -11.742 19.817 -0.409 1.00 0.00 O ATOM 1208 CB LEU A 83 -14.474 19.954 -2.309 1.00 0.00 C ATOM 1209 CG LEU A 83 -15.873 19.518 -2.743 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -16.688 20.717 -3.202 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -15.788 18.474 -3.847 1.00 0.00 C ATOM 0 H LEU A 83 -14.870 19.413 0.082 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.685 17.967 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.570 20.840 -1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.916 20.252 -3.197 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.375 19.071 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.681 20.387 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.779 21.430 -2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.189 21.194 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.793 18.175 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.266 18.895 -4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -15.243 17.603 -3.483 1.00 0.00 H new ATOM 1223 N GLY A 84 -11.472 19.237 -2.566 1.00 0.00 N ATOM 1224 CA GLY A 84 -10.078 19.638 -2.591 1.00 0.00 C ATOM 1225 C GLY A 84 -9.133 18.456 -2.518 1.00 0.00 C ATOM 1226 O GLY A 84 -9.563 17.320 -2.321 1.00 0.00 O ATOM 0 H GLY A 84 -11.826 18.864 -3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.881 20.200 -3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.881 20.309 -1.755 1.00 0.00 H new ATOM 1230 N ASN A 85 -7.841 18.722 -2.678 1.00 0.00 N ATOM 1231 CA ASN A 85 -6.832 17.670 -2.632 1.00 0.00 C ATOM 1232 C ASN A 85 -6.541 17.259 -1.192 1.00 0.00 C ATOM 1233 O ASN A 85 -6.501 18.097 -0.291 1.00 0.00 O ATOM 1234 CB ASN A 85 -5.543 18.139 -3.311 1.00 0.00 C ATOM 1235 CG ASN A 85 -5.026 19.441 -2.731 1.00 0.00 C ATOM 1236 OD1 ASN A 85 -5.273 19.757 -1.567 1.00 0.00 O ATOM 1237 ND2 ASN A 85 -4.303 20.204 -3.542 1.00 0.00 N ATOM 0 H ASN A 85 -7.468 19.657 -2.841 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.221 16.804 -3.167 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.779 17.369 -3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.723 18.266 -4.379 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.928 21.091 -3.207 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.123 19.903 -4.500 1.00 0.00 H new ATOM 1244 N PHE A 86 -6.336 15.962 -0.982 1.00 0.00 N ATOM 1245 CA PHE A 86 -6.049 15.439 0.348 1.00 0.00 C ATOM 1246 C PHE A 86 -4.918 14.416 0.297 1.00 0.00 C ATOM 1247 O PHE A 86 -4.860 13.584 -0.608 1.00 0.00 O ATOM 1248 CB PHE A 86 -7.302 14.801 0.950 1.00 0.00 C ATOM 1249 CG PHE A 86 -7.696 13.512 0.288 1.00 0.00 C ATOM 1250 CD1 PHE A 86 -7.031 12.334 0.585 1.00 0.00 C ATOM 1251 CD2 PHE A 86 -8.733 13.478 -0.631 1.00 0.00 C ATOM 1252 CE1 PHE A 86 -7.391 11.146 -0.024 1.00 0.00 C ATOM 1253 CE2 PHE A 86 -9.097 12.294 -1.242 1.00 0.00 C ATOM 1254 CZ PHE A 86 -8.426 11.126 -0.937 1.00 0.00 C ATOM 0 H PHE A 86 -6.363 15.255 -1.716 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.735 16.271 0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -7.133 14.618 2.011 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.130 15.506 0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -6.222 12.343 1.300 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.263 14.388 -0.872 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.863 10.235 0.214 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.906 12.282 -1.958 1.00 0.00 H new ATOM 0 HZ PHE A 86 -8.711 10.199 -1.412 1.00 0.00 H new ATOM 1264 N GLU A 87 -4.021 14.485 1.276 1.00 0.00 N ATOM 1265 CA GLU A 87 -2.891 13.565 1.342 1.00 0.00 C ATOM 1266 C GLU A 87 -2.817 12.892 2.709 1.00 0.00 C ATOM 1267 O GLU A 87 -2.545 13.542 3.718 1.00 0.00 O ATOM 1268 CB GLU A 87 -1.584 14.307 1.055 1.00 0.00 C ATOM 1269 CG GLU A 87 -0.407 13.384 0.784 1.00 0.00 C ATOM 1270 CD GLU A 87 0.732 14.086 0.071 1.00 0.00 C ATOM 1271 OE1 GLU A 87 0.904 15.305 0.283 1.00 0.00 O ATOM 1272 OE2 GLU A 87 1.453 13.416 -0.698 1.00 0.00 O ATOM 0 H GLU A 87 -4.055 15.167 2.033 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.037 12.795 0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.728 14.960 0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.345 14.947 1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.044 12.977 1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.743 12.540 0.181 1.00 0.00 H new ATOM 1279 N GLU A 88 -3.060 11.585 2.733 1.00 0.00 N ATOM 1280 CA GLU A 88 -3.022 10.824 3.976 1.00 0.00 C ATOM 1281 C GLU A 88 -2.081 9.630 3.854 1.00 0.00 C ATOM 1282 O GLU A 88 -1.736 9.208 2.751 1.00 0.00 O ATOM 1283 CB GLU A 88 -4.427 10.344 4.350 1.00 0.00 C ATOM 1284 CG GLU A 88 -5.408 11.476 4.606 1.00 0.00 C ATOM 1285 CD GLU A 88 -5.171 12.163 5.937 1.00 0.00 C ATOM 1286 OE1 GLU A 88 -4.020 12.138 6.422 1.00 0.00 O ATOM 1287 OE2 GLU A 88 -6.137 12.726 6.493 1.00 0.00 O ATOM 0 H GLU A 88 -3.285 11.032 1.906 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.649 11.480 4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.812 9.715 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.364 9.721 5.242 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.328 12.209 3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.425 11.084 4.580 1.00 0.00 H new ATOM 1294 N GLU A 89 -1.668 9.090 4.997 1.00 0.00 N ATOM 1295 CA GLU A 89 -0.765 7.945 5.018 1.00 0.00 C ATOM 1296 C GLU A 89 -1.271 6.870 5.976 1.00 0.00 C ATOM 1297 O GLU A 89 -1.522 7.138 7.151 1.00 0.00 O ATOM 1298 CB GLU A 89 0.643 8.385 5.426 1.00 0.00 C ATOM 1299 CG GLU A 89 1.365 9.186 4.356 1.00 0.00 C ATOM 1300 CD GLU A 89 2.401 10.130 4.933 1.00 0.00 C ATOM 1301 OE1 GLU A 89 3.083 9.742 5.904 1.00 0.00 O ATOM 1302 OE2 GLU A 89 2.529 11.259 4.413 1.00 0.00 O ATOM 0 H GLU A 89 -1.944 9.427 5.919 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.730 7.524 4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.578 8.984 6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 89 1.235 7.502 5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.850 8.501 3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.636 9.759 3.783 1.00 0.00 H new ATOM 1309 N PHE A 90 -1.420 5.653 5.464 1.00 0.00 N ATOM 1310 CA PHE A 90 -1.898 4.537 6.272 1.00 0.00 C ATOM 1311 C PHE A 90 -0.749 3.605 6.646 1.00 0.00 C ATOM 1312 O PHE A 90 0.198 3.430 5.879 1.00 0.00 O ATOM 1313 CB PHE A 90 -2.976 3.757 5.516 1.00 0.00 C ATOM 1314 CG PHE A 90 -4.125 4.611 5.060 1.00 0.00 C ATOM 1315 CD1 PHE A 90 -4.025 5.373 3.907 1.00 0.00 C ATOM 1316 CD2 PHE A 90 -5.305 4.653 5.786 1.00 0.00 C ATOM 1317 CE1 PHE A 90 -5.080 6.159 3.485 1.00 0.00 C ATOM 1318 CE2 PHE A 90 -6.363 5.437 5.368 1.00 0.00 C ATOM 1319 CZ PHE A 90 -6.250 6.192 4.217 1.00 0.00 C ATOM 0 H PHE A 90 -1.217 5.414 4.493 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.327 4.942 7.188 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.524 3.276 4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.356 2.963 6.158 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.111 5.352 3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.398 4.067 6.688 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.989 6.747 2.584 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.278 5.459 5.941 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.075 6.807 3.890 1.00 0.00 H new ATOM 1329 N LEU A 91 -0.840 3.010 7.830 1.00 0.00 N ATOM 1330 CA LEU A 91 0.191 2.096 8.309 1.00 0.00 C ATOM 1331 C LEU A 91 -0.404 0.733 8.647 1.00 0.00 C ATOM 1332 O LEU A 91 -1.563 0.632 9.048 1.00 0.00 O ATOM 1333 CB LEU A 91 0.888 2.681 9.539 1.00 0.00 C ATOM 1334 CG LEU A 91 1.558 4.042 9.347 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.165 4.527 10.654 1.00 0.00 C ATOM 1336 CD2 LEU A 91 2.619 3.966 8.259 1.00 0.00 C ATOM 0 H LEU A 91 -1.618 3.144 8.476 1.00 0.00 H new ATOM 0 HA LEU A 91 0.924 1.964 7.513 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.154 2.770 10.340 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.643 1.971 9.876 1.00 0.00 H new ATOM 0 HG LEU A 91 0.798 4.759 9.035 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.637 5.497 10.498 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.382 4.622 11.406 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.912 3.811 10.996 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.085 4.944 8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.377 3.235 8.541 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.156 3.664 7.320 1.00 0.00 H new ATOM 1348 N VAL A 92 0.399 -0.314 8.485 1.00 0.00 N ATOM 1349 CA VAL A 92 -0.046 -1.671 8.777 1.00 0.00 C ATOM 1350 C VAL A 92 0.796 -2.301 9.880 1.00 0.00 C ATOM 1351 O VAL A 92 1.984 -2.562 9.696 1.00 0.00 O ATOM 1352 CB VAL A 92 0.018 -2.564 7.524 1.00 0.00 C ATOM 1353 CG1 VAL A 92 -0.582 -3.932 7.812 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -0.693 -1.896 6.357 1.00 0.00 C ATOM 0 H VAL A 92 1.361 -0.248 8.153 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.081 -1.599 9.111 1.00 0.00 H new ATOM 0 HB VAL A 92 1.064 -2.703 7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.528 -4.549 6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.025 -4.412 8.617 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.624 -3.817 8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.638 -2.541 5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.738 -1.725 6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.214 -0.942 6.137 1.00 0.00 H new ATOM 1364 N ASN A 93 0.173 -2.543 11.029 1.00 0.00 N ATOM 1365 CA ASN A 93 0.865 -3.143 12.163 1.00 0.00 C ATOM 1366 C ASN A 93 1.173 -4.614 11.898 1.00 0.00 C ATOM 1367 O ASN A 93 0.323 -5.358 11.408 1.00 0.00 O ATOM 1368 CB ASN A 93 0.021 -3.008 13.432 1.00 0.00 C ATOM 1369 CG ASN A 93 -0.717 -1.685 13.498 1.00 0.00 C ATOM 1370 OD1 ASN A 93 -0.122 -0.642 13.769 1.00 0.00 O ATOM 1371 ND2 ASN A 93 -2.021 -1.722 13.249 1.00 0.00 N ATOM 0 H ASN A 93 -0.810 -2.332 11.199 1.00 0.00 H new ATOM 0 HA ASN A 93 1.807 -2.613 12.303 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -0.699 -3.825 13.475 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.665 -3.105 14.306 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.570 -0.863 13.278 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.473 -2.609 13.029 1.00 0.00 H new ATOM 1378 N VAL A 94 2.393 -5.026 12.224 1.00 0.00 N ATOM 1379 CA VAL A 94 2.813 -6.408 12.023 1.00 0.00 C ATOM 1380 C VAL A 94 3.587 -6.928 13.229 1.00 0.00 C ATOM 1381 O VAL A 94 4.505 -6.273 13.719 1.00 0.00 O ATOM 1382 CB VAL A 94 3.689 -6.550 10.764 1.00 0.00 C ATOM 1383 CG1 VAL A 94 4.212 -7.973 10.635 1.00 0.00 C ATOM 1384 CG2 VAL A 94 2.906 -6.147 9.523 1.00 0.00 C ATOM 0 H VAL A 94 3.109 -4.423 12.629 1.00 0.00 H new ATOM 0 HA VAL A 94 1.906 -6.999 11.895 1.00 0.00 H new ATOM 0 HB VAL A 94 4.544 -5.881 10.860 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.829 -8.054 9.740 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.810 -8.222 11.512 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.372 -8.664 10.561 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.540 -6.253 8.643 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.031 -6.789 9.420 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.585 -5.109 9.616 1.00 0.00 H new ATOM 1394 N ASN A 95 3.210 -8.112 13.701 1.00 0.00 N ATOM 1395 CA ASN A 95 3.869 -8.721 14.851 1.00 0.00 C ATOM 1396 C ASN A 95 5.357 -8.922 14.581 1.00 0.00 C ATOM 1397 O ASN A 95 5.740 -9.658 13.672 1.00 0.00 O ATOM 1398 CB ASN A 95 3.215 -10.062 15.188 1.00 0.00 C ATOM 1399 CG ASN A 95 4.047 -10.885 16.152 1.00 0.00 C ATOM 1400 OD1 ASN A 95 4.618 -10.355 17.106 1.00 0.00 O ATOM 1401 ND2 ASN A 95 4.119 -12.189 15.908 1.00 0.00 N ATOM 0 H ASN A 95 2.452 -8.668 13.305 1.00 0.00 H new ATOM 0 HA ASN A 95 3.760 -8.047 15.701 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.231 -9.884 15.622 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.061 -10.629 14.270 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.664 -12.794 16.523 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.630 -12.586 15.106 1.00 0.00 H new ATOM 1408 N GLY A 96 6.192 -8.263 15.377 1.00 0.00 N ATOM 1409 CA GLY A 96 7.629 -8.382 15.209 1.00 0.00 C ATOM 1410 C GLY A 96 8.238 -7.167 14.539 1.00 0.00 C ATOM 1411 O GLY A 96 9.011 -6.432 15.155 1.00 0.00 O ATOM 0 H GLY A 96 5.899 -7.648 16.136 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.095 -8.527 16.184 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.850 -9.269 14.615 1.00 0.00 H new ATOM 1415 N SER A 97 7.890 -6.953 13.274 1.00 0.00 N ATOM 1416 CA SER A 97 8.412 -5.821 12.518 1.00 0.00 C ATOM 1417 C SER A 97 8.356 -4.542 13.348 1.00 0.00 C ATOM 1418 O SER A 97 7.327 -4.191 13.927 1.00 0.00 O ATOM 1419 CB SER A 97 7.619 -5.637 11.223 1.00 0.00 C ATOM 1420 OG SER A 97 8.224 -4.663 10.389 1.00 0.00 O ATOM 0 H SER A 97 7.248 -7.549 12.751 1.00 0.00 H new ATOM 0 HA SER A 97 9.453 -6.029 12.272 1.00 0.00 H new ATOM 0 HB2 SER A 97 7.557 -6.587 10.692 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.598 -5.336 11.458 1.00 0.00 H new ATOM 0 HG SER A 97 7.665 -3.858 10.367 1.00 0.00 H new ATOM 1426 N PRO A 98 9.489 -3.827 13.409 1.00 0.00 N ATOM 1427 CA PRO A 98 9.596 -2.575 14.164 1.00 0.00 C ATOM 1428 C PRO A 98 8.800 -1.442 13.525 1.00 0.00 C ATOM 1429 O PRO A 98 8.298 -0.558 14.217 1.00 0.00 O ATOM 1430 CB PRO A 98 11.094 -2.264 14.125 1.00 0.00 C ATOM 1431 CG PRO A 98 11.591 -2.945 12.897 1.00 0.00 C ATOM 1432 CD PRO A 98 10.753 -4.185 12.744 1.00 0.00 C ATOM 0 HA PRO A 98 9.193 -2.672 15.172 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.274 -1.190 14.082 1.00 0.00 H new ATOM 0 HB3 PRO A 98 11.599 -2.637 15.016 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.494 -2.298 12.025 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.647 -3.197 12.991 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.598 -4.438 11.695 1.00 0.00 H new ATOM 0 HD3 PRO A 98 11.224 -5.049 13.214 1.00 0.00 H new ATOM 1440 N GLU A 99 8.688 -1.477 12.201 1.00 0.00 N ATOM 1441 CA GLU A 99 7.953 -0.452 11.469 1.00 0.00 C ATOM 1442 C GLU A 99 6.886 -1.080 10.577 1.00 0.00 C ATOM 1443 O GLU A 99 7.128 -2.062 9.874 1.00 0.00 O ATOM 1444 CB GLU A 99 8.911 0.388 10.623 1.00 0.00 C ATOM 1445 CG GLU A 99 8.207 1.325 9.656 1.00 0.00 C ATOM 1446 CD GLU A 99 9.176 2.094 8.779 1.00 0.00 C ATOM 1447 OE1 GLU A 99 10.191 1.501 8.356 1.00 0.00 O ATOM 1448 OE2 GLU A 99 8.920 3.287 8.515 1.00 0.00 O ATOM 0 H GLU A 99 9.097 -2.204 11.613 1.00 0.00 H new ATOM 0 HA GLU A 99 7.460 0.194 12.196 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.548 0.974 11.285 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.564 -0.278 10.060 1.00 0.00 H new ATOM 0 HG2 GLU A 99 7.531 0.749 9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.595 2.029 10.219 1.00 0.00 H new ATOM 1455 N PRO A 100 5.676 -0.502 10.605 1.00 0.00 N ATOM 1456 CA PRO A 100 4.548 -0.988 9.805 1.00 0.00 C ATOM 1457 C PRO A 100 4.742 -0.734 8.314 1.00 0.00 C ATOM 1458 O PRO A 100 5.718 -0.106 7.903 1.00 0.00 O ATOM 1459 CB PRO A 100 3.362 -0.178 10.336 1.00 0.00 C ATOM 1460 CG PRO A 100 3.969 1.068 10.883 1.00 0.00 C ATOM 1461 CD PRO A 100 5.317 0.670 11.420 1.00 0.00 C ATOM 0 HA PRO A 100 4.420 -2.067 9.895 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.648 0.045 9.543 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.821 -0.727 11.107 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.067 1.828 10.108 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.346 1.493 11.669 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.046 1.473 11.312 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.270 0.423 12.481 1.00 0.00 H new ATOM 1469 N VAL A 101 3.807 -1.226 7.508 1.00 0.00 N ATOM 1470 CA VAL A 101 3.875 -1.051 6.062 1.00 0.00 C ATOM 1471 C VAL A 101 3.303 0.299 5.645 1.00 0.00 C ATOM 1472 O VAL A 101 2.092 0.450 5.483 1.00 0.00 O ATOM 1473 CB VAL A 101 3.114 -2.169 5.325 1.00 0.00 C ATOM 1474 CG1 VAL A 101 3.379 -2.099 3.829 1.00 0.00 C ATOM 1475 CG2 VAL A 101 3.500 -3.532 5.880 1.00 0.00 C ATOM 0 H VAL A 101 2.993 -1.749 7.832 1.00 0.00 H new ATOM 0 HA VAL A 101 4.929 -1.097 5.786 1.00 0.00 H new ATOM 0 HB VAL A 101 2.046 -2.025 5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.833 -2.897 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.048 -1.134 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.447 -2.216 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.953 -4.310 5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.571 -3.688 5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.253 -3.576 6.941 1.00 0.00 H new ATOM 1485 N LYS A 102 4.183 1.280 5.471 1.00 0.00 N ATOM 1486 CA LYS A 102 3.767 2.619 5.070 1.00 0.00 C ATOM 1487 C LYS A 102 3.097 2.593 3.701 1.00 0.00 C ATOM 1488 O LYS A 102 3.547 1.896 2.790 1.00 0.00 O ATOM 1489 CB LYS A 102 4.972 3.562 5.043 1.00 0.00 C ATOM 1490 CG LYS A 102 4.602 5.014 4.796 1.00 0.00 C ATOM 1491 CD LYS A 102 5.746 5.949 5.151 1.00 0.00 C ATOM 1492 CE LYS A 102 5.750 6.287 6.634 1.00 0.00 C ATOM 1493 NZ LYS A 102 6.844 7.235 6.984 1.00 0.00 N ATOM 0 H LYS A 102 5.189 1.173 5.601 1.00 0.00 H new ATOM 0 HA LYS A 102 3.045 2.983 5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.503 3.487 5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.662 3.234 4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.333 5.149 3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.723 5.272 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.694 5.485 4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.662 6.866 4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.790 6.723 6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.863 5.372 7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.813 7.440 8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.762 6.809 6.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.722 8.119 6.449 1.00 0.00 H new ATOM 1507 N LEU A 103 2.020 3.358 3.560 1.00 0.00 N ATOM 1508 CA LEU A 103 1.288 3.424 2.300 1.00 0.00 C ATOM 1509 C LEU A 103 0.671 4.805 2.101 1.00 0.00 C ATOM 1510 O LEU A 103 -0.130 5.263 2.916 1.00 0.00 O ATOM 1511 CB LEU A 103 0.194 2.355 2.266 1.00 0.00 C ATOM 1512 CG LEU A 103 -0.681 2.329 1.012 1.00 0.00 C ATOM 1513 CD1 LEU A 103 0.085 1.735 -0.160 1.00 0.00 C ATOM 1514 CD2 LEU A 103 -1.959 1.545 1.269 1.00 0.00 C ATOM 0 H LEU A 103 1.634 3.941 4.303 1.00 0.00 H new ATOM 0 HA LEU A 103 1.993 3.240 1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.665 1.378 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.452 2.497 3.132 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.953 3.354 0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.553 1.724 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.971 2.338 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.387 0.716 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.569 1.537 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.708 0.521 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.517 2.014 2.079 1.00 0.00 H new ATOM 1526 N THR A 104 1.048 5.464 1.009 1.00 0.00 N ATOM 1527 CA THR A 104 0.532 6.791 0.701 1.00 0.00 C ATOM 1528 C THR A 104 -0.617 6.717 -0.298 1.00 0.00 C ATOM 1529 O THR A 104 -0.614 5.878 -1.199 1.00 0.00 O ATOM 1530 CB THR A 104 1.634 7.704 0.132 1.00 0.00 C ATOM 1531 OG1 THR A 104 2.757 7.730 1.020 1.00 0.00 O ATOM 1532 CG2 THR A 104 1.112 9.118 -0.075 1.00 0.00 C ATOM 0 H THR A 104 1.709 5.099 0.323 1.00 0.00 H new ATOM 0 HA THR A 104 0.168 7.213 1.638 1.00 0.00 H new ATOM 0 HB THR A 104 1.944 7.303 -0.833 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.454 8.311 0.650 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.908 9.744 -0.477 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.277 9.099 -0.775 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.777 9.525 0.879 1.00 0.00 H new ATOM 1540 N ILE A 105 -1.597 7.598 -0.132 1.00 0.00 N ATOM 1541 CA ILE A 105 -2.752 7.633 -1.021 1.00 0.00 C ATOM 1542 C ILE A 105 -3.227 9.063 -1.250 1.00 0.00 C ATOM 1543 O ILE A 105 -3.749 9.708 -0.340 1.00 0.00 O ATOM 1544 CB ILE A 105 -3.919 6.799 -0.461 1.00 0.00 C ATOM 1545 CG1 ILE A 105 -3.497 5.337 -0.296 1.00 0.00 C ATOM 1546 CG2 ILE A 105 -5.132 6.906 -1.372 1.00 0.00 C ATOM 1547 CD1 ILE A 105 -4.441 4.530 0.568 1.00 0.00 C ATOM 0 H ILE A 105 -1.615 8.298 0.610 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.432 7.203 -1.970 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.189 7.192 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.431 4.873 -1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.499 5.302 0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.948 6.311 -0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.443 7.948 -1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.875 6.536 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.080 3.504 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.488 4.970 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.436 4.534 0.122 1.00 0.00 H new ATOM 1559 N ARG A 106 -3.045 9.553 -2.472 1.00 0.00 N ATOM 1560 CA ARG A 106 -3.457 10.908 -2.820 1.00 0.00 C ATOM 1561 C ARG A 106 -4.690 10.887 -3.719 1.00 0.00 C ATOM 1562 O ARG A 106 -4.776 10.093 -4.654 1.00 0.00 O ATOM 1563 CB ARG A 106 -2.314 11.646 -3.521 1.00 0.00 C ATOM 1564 CG ARG A 106 -1.966 11.074 -4.886 1.00 0.00 C ATOM 1565 CD ARG A 106 -0.655 11.638 -5.409 1.00 0.00 C ATOM 1566 NE ARG A 106 -0.243 11.001 -6.656 1.00 0.00 N ATOM 1567 CZ ARG A 106 0.921 11.234 -7.252 1.00 0.00 C ATOM 1568 NH1 ARG A 106 1.785 12.086 -6.716 1.00 0.00 N ATOM 1569 NH2 ARG A 106 1.224 10.615 -8.386 1.00 0.00 N ATOM 0 H ARG A 106 -2.615 9.033 -3.237 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.709 11.433 -1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.586 12.695 -3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.428 11.613 -2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.895 9.988 -4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.767 11.299 -5.591 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.760 12.711 -5.568 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.123 11.502 -4.658 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.885 10.340 -7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.556 12.564 -5.844 1.00 0.00 H new ATOM 0 HH12 ARG A 106 2.678 12.263 -7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.563 9.959 -8.801 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.118 10.795 -8.842 1.00 0.00 H new ATOM 1583 N GLY A 107 -5.644 11.766 -3.426 1.00 0.00 N ATOM 1584 CA GLY A 107 -6.860 11.832 -4.215 1.00 0.00 C ATOM 1585 C GLY A 107 -7.465 13.222 -4.234 1.00 0.00 C ATOM 1586 O GLY A 107 -7.334 13.976 -3.269 1.00 0.00 O ATOM 0 H GLY A 107 -5.596 12.433 -2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.644 11.519 -5.237 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.589 11.128 -3.813 1.00 0.00 H new ATOM 1590 N CYS A 108 -8.126 13.562 -5.334 1.00 0.00 N ATOM 1591 CA CYS A 108 -8.752 14.873 -5.476 1.00 0.00 C ATOM 1592 C CYS A 108 -10.270 14.746 -5.544 1.00 0.00 C ATOM 1593 O CYS A 108 -10.814 14.180 -6.493 1.00 0.00 O ATOM 1594 CB CYS A 108 -8.229 15.577 -6.728 1.00 0.00 C ATOM 1595 SG CYS A 108 -6.485 16.047 -6.638 1.00 0.00 S ATOM 0 H CYS A 108 -8.243 12.949 -6.141 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.495 15.468 -4.600 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -8.374 14.922 -7.587 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -8.826 16.471 -6.905 1.00 0.00 H new ATOM 0 HG CYS A 108 -6.136 16.633 -7.744 1.00 0.00 H new ATOM 1601 N VAL A 109 -10.949 15.275 -4.532 1.00 0.00 N ATOM 1602 CA VAL A 109 -12.405 15.221 -4.477 1.00 0.00 C ATOM 1603 C VAL A 109 -13.027 16.401 -5.215 1.00 0.00 C ATOM 1604 O VAL A 109 -12.710 17.558 -4.936 1.00 0.00 O ATOM 1605 CB VAL A 109 -12.912 15.215 -3.022 1.00 0.00 C ATOM 1606 CG1 VAL A 109 -14.403 14.916 -2.977 1.00 0.00 C ATOM 1607 CG2 VAL A 109 -12.133 14.207 -2.191 1.00 0.00 C ATOM 0 H VAL A 109 -10.514 15.746 -3.739 1.00 0.00 H new ATOM 0 HA VAL A 109 -12.706 14.293 -4.963 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.751 16.205 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.743 14.916 -1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.944 15.679 -3.537 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.592 13.938 -3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.504 14.216 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.260 13.211 -2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -11.075 14.471 -2.196 1.00 0.00 H new ATOM 1617 N ILE A 110 -13.915 16.101 -6.157 1.00 0.00 N ATOM 1618 CA ILE A 110 -14.583 17.137 -6.934 1.00 0.00 C ATOM 1619 C ILE A 110 -16.096 16.947 -6.919 1.00 0.00 C ATOM 1620 O ILE A 110 -16.595 15.887 -6.543 1.00 0.00 O ATOM 1621 CB ILE A 110 -14.094 17.150 -8.394 1.00 0.00 C ATOM 1622 CG1 ILE A 110 -14.350 15.792 -9.052 1.00 0.00 C ATOM 1623 CG2 ILE A 110 -12.615 17.503 -8.454 1.00 0.00 C ATOM 1624 CD1 ILE A 110 -14.090 15.784 -10.542 1.00 0.00 C ATOM 0 H ILE A 110 -14.188 15.149 -6.400 1.00 0.00 H new ATOM 0 HA ILE A 110 -14.334 18.090 -6.467 1.00 0.00 H new ATOM 0 HB ILE A 110 -14.651 17.910 -8.942 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -13.717 15.042 -8.577 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -15.384 15.498 -8.870 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.284 17.508 -9.493 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.459 18.490 -8.018 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -12.042 16.764 -7.894 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -14.292 14.790 -10.941 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -14.741 16.510 -11.029 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -13.049 16.046 -10.731 1.00 0.00 H new ATOM 1636 N GLY A 111 -16.822 17.982 -7.332 1.00 0.00 N ATOM 1637 CA GLY A 111 -18.271 17.908 -7.359 1.00 0.00 C ATOM 1638 C GLY A 111 -18.852 18.397 -8.671 1.00 0.00 C ATOM 1639 O GLY A 111 -18.128 18.771 -9.594 1.00 0.00 O ATOM 0 H GLY A 111 -16.432 18.870 -7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.582 16.877 -7.189 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.677 18.503 -6.541 1.00 0.00 H new ATOM 1643 N PRO A 112 -20.190 18.397 -8.767 1.00 0.00 N ATOM 1644 CA PRO A 112 -20.897 18.841 -9.972 1.00 0.00 C ATOM 1645 C PRO A 112 -20.783 20.346 -10.189 1.00 0.00 C ATOM 1646 O PRO A 112 -20.467 21.094 -9.265 1.00 0.00 O ATOM 1647 CB PRO A 112 -22.350 18.449 -9.694 1.00 0.00 C ATOM 1648 CG PRO A 112 -22.458 18.418 -8.209 1.00 0.00 C ATOM 1649 CD PRO A 112 -21.115 17.965 -7.706 1.00 0.00 C ATOM 0 HA PRO A 112 -20.485 18.392 -10.876 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -23.044 19.170 -10.126 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -22.588 17.478 -10.128 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -22.710 19.403 -7.815 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -23.245 17.735 -7.889 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -20.869 18.423 -6.748 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -21.084 16.885 -7.561 1.00 0.00 H new TER 1657 PRO A 112