USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 849 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 57 HIS : no HE2:sc= -0.34 X(o=-1.6,f=-1.8) USER MOD Set 1.2: A 66 ASN : amide:sc= -1.21 X(o=-1.6,f=-1.8!) USER MOD Single : A 4 THR OG1 : rot -18:sc= 0.627 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 35:sc= 0.94 USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00812) USER MOD Single : A 13 THR OG1 : rot 150:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 15 GLN : amide:sc= -3.99 K(o=-4,f=-9.1!) USER MOD Single : A 16 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.29) USER MOD Single : A 33 SER OG : rot -60:sc= -0.433 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 0.569 (180deg=0.504) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.44 USER MOD Single : A 70 THR OG1 : rot -45:sc= 0.417 USER MOD Single : A 79 GLN : amide:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-1.7) USER MOD Single : A 106 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.035) USER MOD Single : A 109 GLN : amide:sc= -0.0376 X(o=-0.038,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS :FLIP no HE2:sc= -0.121 F(o=-0.68,f=-0.12) USER MOD Single : A 119 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 11.225 20.661 2.722 1.00 0.00 N ATOM 47 CA THR A 4 10.635 19.791 3.735 1.00 0.00 C ATOM 48 C THR A 4 9.703 18.772 3.091 1.00 0.00 C ATOM 49 O THR A 4 8.735 19.140 2.423 1.00 0.00 O ATOM 50 CB THR A 4 9.872 20.612 4.784 1.00 0.00 C ATOM 51 OG1 THR A 4 9.461 21.867 4.261 1.00 0.00 O ATOM 52 CG2 THR A 4 10.680 20.876 6.036 1.00 0.00 C ATOM 0 HA THR A 4 11.446 19.259 4.233 1.00 0.00 H new ATOM 0 HB THR A 4 9.007 20.002 5.045 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.984 22.074 3.458 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.084 21.460 6.737 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.957 19.928 6.497 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.582 21.430 5.777 1.00 0.00 H new ATOM 60 N VAL A 5 10.003 17.489 3.295 1.00 0.00 N ATOM 61 CA VAL A 5 9.193 16.416 2.728 1.00 0.00 C ATOM 62 C VAL A 5 8.900 15.337 3.767 1.00 0.00 C ATOM 63 O VAL A 5 9.818 14.701 4.293 1.00 0.00 O ATOM 64 CB VAL A 5 9.882 15.766 1.507 1.00 0.00 C ATOM 65 CG1 VAL A 5 8.928 14.818 0.791 1.00 0.00 C ATOM 66 CG2 VAL A 5 10.406 16.832 0.552 1.00 0.00 C ATOM 0 H VAL A 5 10.799 17.170 3.847 1.00 0.00 H new ATOM 0 HA VAL A 5 8.256 16.870 2.405 1.00 0.00 H new ATOM 0 HB VAL A 5 10.732 15.185 1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 5 9.433 14.371 -0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.613 14.032 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.054 15.372 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 5 10.887 16.352 -0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.576 17.446 0.202 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.130 17.461 1.070 1.00 0.00 H new ATOM 76 N LYS A 6 7.614 15.130 4.044 1.00 0.00 N ATOM 77 CA LYS A 6 7.183 14.122 5.007 1.00 0.00 C ATOM 78 C LYS A 6 6.324 13.065 4.318 1.00 0.00 C ATOM 79 O LYS A 6 5.168 13.318 3.976 1.00 0.00 O ATOM 80 CB LYS A 6 6.403 14.772 6.156 1.00 0.00 C ATOM 81 CG LYS A 6 7.285 15.240 7.304 1.00 0.00 C ATOM 82 CD LYS A 6 7.855 16.627 7.043 1.00 0.00 C ATOM 83 CE LYS A 6 7.142 17.691 7.865 1.00 0.00 C ATOM 84 NZ LYS A 6 8.080 18.736 8.371 1.00 0.00 N ATOM 0 H LYS A 6 6.850 15.650 3.612 1.00 0.00 H new ATOM 0 HA LYS A 6 8.069 13.640 5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.844 15.624 5.768 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.673 14.058 6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.706 15.252 8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.101 14.532 7.449 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.919 16.634 7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.765 16.864 5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.371 18.162 7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.638 17.219 8.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.550 19.439 8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.802 18.292 8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.543 19.206 7.567 1.00 0.00 H new ATOM 98 N ARG A 7 6.904 11.884 4.113 1.00 0.00 N ATOM 99 CA ARG A 7 6.201 10.784 3.457 1.00 0.00 C ATOM 100 C ARG A 7 5.979 9.616 4.419 1.00 0.00 C ATOM 101 O ARG A 7 6.626 9.520 5.463 1.00 0.00 O ATOM 102 CB ARG A 7 6.988 10.315 2.228 1.00 0.00 C ATOM 103 CG ARG A 7 6.716 11.139 0.982 1.00 0.00 C ATOM 104 CD ARG A 7 7.084 10.379 -0.284 1.00 0.00 C ATOM 105 NE ARG A 7 8.209 10.994 -0.988 1.00 0.00 N ATOM 106 CZ ARG A 7 8.157 12.191 -1.585 1.00 0.00 C ATOM 107 NH1 ARG A 7 7.045 12.920 -1.541 1.00 0.00 N ATOM 108 NH2 ARG A 7 9.224 12.662 -2.219 1.00 0.00 N ATOM 0 H ARG A 7 7.860 11.664 4.392 1.00 0.00 H new ATOM 0 HA ARG A 7 5.224 11.148 3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 7 8.054 10.353 2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.742 9.273 2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.661 11.413 0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 7 7.285 12.068 1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.336 9.350 -0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.220 10.340 -0.947 1.00 0.00 H new ATOM 0 HE ARG A 7 9.088 10.478 -1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.223 12.568 -1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.014 13.831 -1.999 1.00 0.00 H new ATOM 0 HH21 ARG A 7 10.082 12.112 -2.251 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.185 13.574 -2.674 1.00 0.00 H new ATOM 122 N THR A 8 5.051 8.731 4.055 1.00 0.00 N ATOM 123 CA THR A 8 4.724 7.562 4.872 1.00 0.00 C ATOM 124 C THR A 8 3.718 6.669 4.145 1.00 0.00 C ATOM 125 O THR A 8 2.894 7.158 3.373 1.00 0.00 O ATOM 126 CB THR A 8 4.155 7.999 6.231 1.00 0.00 C ATOM 127 OG1 THR A 8 3.715 6.878 6.980 1.00 0.00 O ATOM 128 CG2 THR A 8 2.988 8.957 6.111 1.00 0.00 C ATOM 0 H THR A 8 4.509 8.802 3.194 1.00 0.00 H new ATOM 0 HA THR A 8 5.639 6.994 5.042 1.00 0.00 H new ATOM 0 HB THR A 8 4.976 8.510 6.734 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.301 6.113 6.799 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.634 9.226 7.106 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.308 9.856 5.585 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.181 8.479 5.556 1.00 0.00 H new ATOM 136 N ILE A 9 3.790 5.361 4.396 1.00 0.00 N ATOM 137 CA ILE A 9 2.882 4.410 3.761 1.00 0.00 C ATOM 138 C ILE A 9 2.206 3.505 4.794 1.00 0.00 C ATOM 139 O ILE A 9 2.860 2.966 5.690 1.00 0.00 O ATOM 140 CB ILE A 9 3.612 3.544 2.709 1.00 0.00 C ATOM 141 CG1 ILE A 9 2.619 2.633 1.979 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.725 2.721 3.349 1.00 0.00 C ATOM 143 CD1 ILE A 9 2.905 2.500 0.500 1.00 0.00 C ATOM 0 H ILE A 9 4.466 4.939 5.033 1.00 0.00 H new ATOM 0 HA ILE A 9 2.115 4.998 3.257 1.00 0.00 H new ATOM 0 HB ILE A 9 4.068 4.214 1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.640 1.644 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.611 3.025 2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.220 2.122 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.450 3.389 3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.301 2.063 4.107 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.165 1.842 0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.855 3.482 0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.901 2.080 0.358 1.00 0.00 H new ATOM 155 N ARG A 10 0.891 3.342 4.650 1.00 0.00 N ATOM 156 CA ARG A 10 0.105 2.501 5.551 1.00 0.00 C ATOM 157 C ARG A 10 -0.812 1.579 4.750 1.00 0.00 C ATOM 158 O ARG A 10 -1.762 2.038 4.111 1.00 0.00 O ATOM 159 CB ARG A 10 -0.726 3.363 6.507 1.00 0.00 C ATOM 160 CG ARG A 10 -1.181 2.626 7.757 1.00 0.00 C ATOM 161 CD ARG A 10 -2.697 2.631 7.898 1.00 0.00 C ATOM 162 NE ARG A 10 -3.118 2.584 9.299 1.00 0.00 N ATOM 163 CZ ARG A 10 -3.121 3.644 10.115 1.00 0.00 C ATOM 164 NH1 ARG A 10 -2.705 4.832 9.679 1.00 0.00 N ATOM 165 NH2 ARG A 10 -3.532 3.513 11.370 1.00 0.00 N ATOM 0 H ARG A 10 0.345 3.785 3.912 1.00 0.00 H new ATOM 0 HA ARG A 10 0.793 1.893 6.139 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.138 4.232 6.802 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.602 3.736 5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.823 1.597 7.723 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.733 3.090 8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.102 3.527 7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.113 1.776 7.366 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.428 1.688 9.676 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.381 4.938 8.717 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.710 5.636 10.307 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.845 2.604 11.712 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.535 4.321 11.993 1.00 0.00 H new ATOM 179 N ILE A 11 -0.522 0.281 4.790 1.00 0.00 N ATOM 180 CA ILE A 11 -1.321 -0.707 4.068 1.00 0.00 C ATOM 181 C ILE A 11 -2.030 -1.653 5.033 1.00 0.00 C ATOM 182 O ILE A 11 -1.408 -2.214 5.937 1.00 0.00 O ATOM 183 CB ILE A 11 -0.463 -1.539 3.086 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.794 -2.079 3.777 1.00 0.00 C ATOM 185 CG2 ILE A 11 -0.087 -0.706 1.871 1.00 0.00 C ATOM 186 CD1 ILE A 11 1.378 -3.297 3.097 1.00 0.00 C ATOM 0 H ILE A 11 0.260 -0.112 5.314 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.061 -0.147 3.497 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.058 -2.390 2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.548 -1.293 3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.552 -2.330 4.810 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.516 -1.307 1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.992 -0.378 1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.485 0.165 2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.265 -3.626 3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.639 -4.099 3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.651 -3.046 2.072 1.00 0.00 H new ATOM 198 N LYS A 12 -3.337 -1.828 4.832 1.00 0.00 N ATOM 199 CA LYS A 12 -4.135 -2.708 5.680 1.00 0.00 C ATOM 200 C LYS A 12 -4.717 -3.863 4.871 1.00 0.00 C ATOM 201 O LYS A 12 -5.201 -3.667 3.754 1.00 0.00 O ATOM 202 CB LYS A 12 -5.261 -1.922 6.355 1.00 0.00 C ATOM 203 CG LYS A 12 -5.139 -1.856 7.867 1.00 0.00 C ATOM 204 CD LYS A 12 -4.562 -0.525 8.323 1.00 0.00 C ATOM 205 CE LYS A 12 -5.551 0.614 8.113 1.00 0.00 C ATOM 206 NZ LYS A 12 -6.640 0.606 9.130 1.00 0.00 N ATOM 0 H LYS A 12 -3.864 -1.370 4.088 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.481 -3.120 6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.274 -0.908 5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.216 -2.378 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.120 -2.002 8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.503 -2.669 8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.294 -0.586 9.378 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.644 -0.317 7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.022 1.566 8.157 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.986 0.537 7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.251 1.436 8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.205 -0.261 9.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.225 0.638 10.083 1.00 0.00 H new ATOM 220 N THR A 13 -4.660 -5.067 5.441 1.00 0.00 N ATOM 221 CA THR A 13 -5.176 -6.259 4.773 1.00 0.00 C ATOM 222 C THR A 13 -6.029 -7.093 5.728 1.00 0.00 C ATOM 223 O THR A 13 -5.512 -7.685 6.679 1.00 0.00 O ATOM 224 CB THR A 13 -4.023 -7.107 4.227 1.00 0.00 C ATOM 225 OG1 THR A 13 -3.047 -6.294 3.596 1.00 0.00 O ATOM 226 CG2 THR A 13 -4.468 -8.150 3.227 1.00 0.00 C ATOM 0 H THR A 13 -4.261 -5.241 6.364 1.00 0.00 H new ATOM 0 HA THR A 13 -5.803 -5.935 3.942 1.00 0.00 H new ATOM 0 HB THR A 13 -3.606 -7.614 5.097 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.165 -6.712 3.685 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.602 -8.715 2.881 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.178 -8.828 3.700 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.945 -7.660 2.378 1.00 0.00 H new ATOM 234 N GLN A 14 -7.335 -7.140 5.465 1.00 0.00 N ATOM 235 CA GLN A 14 -8.258 -7.906 6.297 1.00 0.00 C ATOM 236 C GLN A 14 -9.034 -8.920 5.460 1.00 0.00 C ATOM 237 O GLN A 14 -9.788 -8.551 4.556 1.00 0.00 O ATOM 238 CB GLN A 14 -9.227 -6.970 7.024 1.00 0.00 C ATOM 239 CG GLN A 14 -8.795 -6.635 8.442 1.00 0.00 C ATOM 240 CD GLN A 14 -9.944 -6.687 9.433 1.00 0.00 C ATOM 241 OE1 GLN A 14 -10.342 -5.667 9.992 1.00 0.00 O ATOM 242 NE2 GLN A 14 -10.484 -7.881 9.654 1.00 0.00 N ATOM 0 H GLN A 14 -7.776 -6.656 4.683 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.672 -8.450 7.038 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.324 -6.046 6.454 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -10.214 -7.432 7.053 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.019 -7.333 8.755 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.353 -5.639 8.457 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.123 -8.702 9.168 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.260 -7.976 10.309 1.00 0.00 H new ATOM 251 N GLN A 15 -8.835 -10.201 5.766 1.00 0.00 N ATOM 252 CA GLN A 15 -9.501 -11.283 5.051 1.00 0.00 C ATOM 253 C GLN A 15 -10.540 -11.963 5.936 1.00 0.00 C ATOM 254 O GLN A 15 -10.359 -12.060 7.150 1.00 0.00 O ATOM 255 CB GLN A 15 -8.463 -12.309 4.594 1.00 0.00 C ATOM 256 CG GLN A 15 -9.007 -13.351 3.637 1.00 0.00 C ATOM 257 CD GLN A 15 -8.566 -13.113 2.204 1.00 0.00 C ATOM 258 OE1 GLN A 15 -8.004 -12.069 1.876 1.00 0.00 O ATOM 259 NE2 GLN A 15 -8.822 -14.086 1.343 1.00 0.00 N ATOM 0 H GLN A 15 -8.212 -10.514 6.511 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.011 -10.862 4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.637 -11.785 4.114 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.055 -12.813 5.470 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.677 -14.340 3.956 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.096 -13.349 3.683 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.290 -14.936 1.658 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.551 -13.986 0.365 1.00 0.00 H new ATOM 268 N HIS A 16 -11.624 -12.438 5.326 1.00 0.00 N ATOM 269 CA HIS A 16 -12.679 -13.117 6.077 1.00 0.00 C ATOM 270 C HIS A 16 -13.462 -14.074 5.181 1.00 0.00 C ATOM 271 O HIS A 16 -14.067 -13.655 4.194 1.00 0.00 O ATOM 272 CB HIS A 16 -13.628 -12.091 6.701 1.00 0.00 C ATOM 273 CG HIS A 16 -14.703 -12.705 7.541 1.00 0.00 C ATOM 274 ND1 HIS A 16 -14.577 -12.902 8.899 1.00 0.00 N ATOM 275 CD2 HIS A 16 -15.931 -13.168 7.209 1.00 0.00 C ATOM 276 CE1 HIS A 16 -15.678 -13.461 9.366 1.00 0.00 C ATOM 277 NE2 HIS A 16 -16.516 -13.632 8.360 1.00 0.00 N ATOM 0 H HIS A 16 -11.795 -12.367 4.323 1.00 0.00 H new ATOM 0 HA HIS A 16 -12.208 -13.698 6.870 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.050 -11.399 7.314 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -14.089 -11.504 5.906 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -16.369 -13.171 6.222 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.862 -13.732 10.395 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -17.447 -14.043 8.428 1.00 0.00 H new ATOM 286 N ILE A 17 -13.453 -15.362 5.529 1.00 0.00 N ATOM 287 CA ILE A 17 -14.168 -16.363 4.746 1.00 0.00 C ATOM 288 C ILE A 17 -15.344 -16.944 5.528 1.00 0.00 C ATOM 289 O ILE A 17 -15.197 -17.364 6.677 1.00 0.00 O ATOM 290 CB ILE A 17 -13.222 -17.497 4.279 1.00 0.00 C ATOM 291 CG1 ILE A 17 -13.783 -18.178 3.023 1.00 0.00 C ATOM 292 CG2 ILE A 17 -12.967 -18.509 5.392 1.00 0.00 C ATOM 293 CD1 ILE A 17 -14.828 -19.242 3.296 1.00 0.00 C ATOM 0 H ILE A 17 -12.961 -15.732 6.343 1.00 0.00 H new ATOM 0 HA ILE A 17 -14.559 -15.859 3.862 1.00 0.00 H new ATOM 0 HB ILE A 17 -12.260 -17.051 4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.219 -17.416 2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.959 -18.630 2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.299 -19.290 5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.507 -18.006 6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.912 -18.955 5.702 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -15.168 -19.669 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -14.394 -20.028 3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.674 -18.795 3.818 1.00 0.00 H new ATOM 476 N VAL A 29 -15.746 -19.038 -0.680 1.00 0.00 N ATOM 477 CA VAL A 29 -15.900 -17.605 -0.914 1.00 0.00 C ATOM 478 C VAL A 29 -15.280 -16.800 0.226 1.00 0.00 C ATOM 479 O VAL A 29 -15.925 -16.545 1.247 1.00 0.00 O ATOM 480 CB VAL A 29 -17.384 -17.209 -1.071 1.00 0.00 C ATOM 481 CG1 VAL A 29 -17.508 -15.745 -1.472 1.00 0.00 C ATOM 482 CG2 VAL A 29 -18.080 -18.113 -2.082 1.00 0.00 C ATOM 0 HA VAL A 29 -15.380 -17.376 -1.844 1.00 0.00 H new ATOM 0 HB VAL A 29 -17.878 -17.339 -0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.561 -15.485 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.055 -15.118 -0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -16.997 -15.583 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -19.125 -17.816 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -17.588 -18.023 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -18.026 -19.147 -1.743 1.00 0.00 H new ATOM 492 N ARG A 30 -14.023 -16.398 0.038 1.00 0.00 N ATOM 493 CA ARG A 30 -13.301 -15.613 1.040 1.00 0.00 C ATOM 494 C ARG A 30 -13.309 -14.130 0.675 1.00 0.00 C ATOM 495 O ARG A 30 -13.363 -13.770 -0.503 1.00 0.00 O ATOM 496 CB ARG A 30 -11.856 -16.116 1.200 1.00 0.00 C ATOM 497 CG ARG A 30 -11.216 -16.625 -0.085 1.00 0.00 C ATOM 498 CD ARG A 30 -11.383 -18.132 -0.230 1.00 0.00 C ATOM 499 NE ARG A 30 -10.475 -18.698 -1.228 1.00 0.00 N ATOM 500 CZ ARG A 30 -10.124 -19.985 -1.280 1.00 0.00 C ATOM 501 NH1 ARG A 30 -10.587 -20.850 -0.380 1.00 0.00 N ATOM 502 NH2 ARG A 30 -9.303 -20.407 -2.234 1.00 0.00 N ATOM 0 H ARG A 30 -13.482 -16.604 -0.802 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.814 -15.738 1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.245 -15.306 1.598 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.844 -16.917 1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.667 -16.123 -0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.156 -16.373 -0.090 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.204 -18.609 0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.412 -18.356 -0.510 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.085 -18.069 -1.929 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.216 -20.531 0.357 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.313 -21.831 -0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.942 -19.749 -2.924 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.033 -21.390 -2.277 1.00 0.00 H new ATOM 516 N GLN A 31 -13.260 -13.275 1.695 1.00 0.00 N ATOM 517 CA GLN A 31 -13.268 -11.829 1.490 1.00 0.00 C ATOM 518 C GLN A 31 -11.887 -11.236 1.714 1.00 0.00 C ATOM 519 O GLN A 31 -11.023 -11.866 2.320 1.00 0.00 O ATOM 520 CB GLN A 31 -14.267 -11.159 2.431 1.00 0.00 C ATOM 521 CG GLN A 31 -15.711 -11.289 1.983 1.00 0.00 C ATOM 522 CD GLN A 31 -16.577 -12.004 3.005 1.00 0.00 C ATOM 523 OE1 GLN A 31 -17.008 -13.136 2.784 1.00 0.00 O ATOM 524 NE2 GLN A 31 -16.834 -11.351 4.133 1.00 0.00 N ATOM 0 H GLN A 31 -13.214 -13.560 2.673 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.565 -11.645 0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.164 -11.594 3.425 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.017 -10.102 2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.120 -10.296 1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.747 -11.832 1.038 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.458 -10.414 4.277 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -17.408 -11.787 4.855 1.00 0.00 H new ATOM 533 N TRP A 32 -11.693 -10.019 1.228 1.00 0.00 N ATOM 534 CA TRP A 32 -10.419 -9.325 1.370 1.00 0.00 C ATOM 535 C TRP A 32 -10.605 -7.815 1.268 1.00 0.00 C ATOM 536 O TRP A 32 -11.467 -7.332 0.533 1.00 0.00 O ATOM 537 CB TRP A 32 -9.430 -9.800 0.298 1.00 0.00 C ATOM 538 CG TRP A 32 -9.951 -9.666 -1.102 1.00 0.00 C ATOM 539 CD1 TRP A 32 -10.179 -8.507 -1.789 1.00 0.00 C ATOM 540 CD2 TRP A 32 -10.316 -10.732 -1.985 1.00 0.00 C ATOM 541 NE1 TRP A 32 -10.663 -8.790 -3.043 1.00 0.00 N ATOM 542 CE2 TRP A 32 -10.753 -10.147 -3.188 1.00 0.00 C ATOM 543 CE3 TRP A 32 -10.310 -12.126 -1.875 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -11.183 -10.910 -4.272 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -10.739 -12.880 -2.951 1.00 0.00 C ATOM 546 CH2 TRP A 32 -11.167 -12.271 -4.136 1.00 0.00 C ATOM 0 H TRP A 32 -12.406 -9.488 0.728 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.018 -9.559 2.356 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.506 -9.228 0.389 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.179 -10.844 0.485 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.004 -7.514 -1.403 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.914 -8.100 -3.751 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.976 -12.605 -0.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.517 -10.443 -5.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -10.744 -13.957 -2.876 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -11.491 -12.889 -4.960 1.00 0.00 H new ATOM 557 N SER A 33 -9.782 -7.074 2.003 1.00 0.00 N ATOM 558 CA SER A 33 -9.837 -5.620 1.988 1.00 0.00 C ATOM 559 C SER A 33 -8.429 -5.039 2.008 1.00 0.00 C ATOM 560 O SER A 33 -7.675 -5.247 2.959 1.00 0.00 O ATOM 561 CB SER A 33 -10.649 -5.100 3.177 1.00 0.00 C ATOM 562 OG SER A 33 -10.141 -5.594 4.404 1.00 0.00 O ATOM 0 H SER A 33 -9.067 -7.461 2.619 1.00 0.00 H new ATOM 0 HA SER A 33 -10.332 -5.301 1.071 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.628 -4.010 3.185 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.691 -5.398 3.066 1.00 0.00 H new ATOM 0 HG SER A 33 -10.182 -6.573 4.405 1.00 0.00 H new ATOM 568 N ILE A 34 -8.079 -4.317 0.947 1.00 0.00 N ATOM 569 CA ILE A 34 -6.758 -3.711 0.834 1.00 0.00 C ATOM 570 C ILE A 34 -6.857 -2.195 0.724 1.00 0.00 C ATOM 571 O ILE A 34 -7.491 -1.674 -0.195 1.00 0.00 O ATOM 572 CB ILE A 34 -5.987 -4.248 -0.392 1.00 0.00 C ATOM 573 CG1 ILE A 34 -6.051 -5.779 -0.446 1.00 0.00 C ATOM 574 CG2 ILE A 34 -4.540 -3.771 -0.364 1.00 0.00 C ATOM 575 CD1 ILE A 34 -5.487 -6.460 0.785 1.00 0.00 C ATOM 0 H ILE A 34 -8.694 -4.138 0.153 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.215 -3.978 1.741 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.461 -3.857 -1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.089 -6.085 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.505 -6.125 -1.323 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.012 -4.159 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.516 -2.681 -0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.056 -4.131 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.568 -7.541 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.439 -6.185 0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.048 -6.144 1.665 1.00 0.00 H new ATOM 587 N GLU A 35 -6.222 -1.495 1.661 1.00 0.00 N ATOM 588 CA GLU A 35 -6.229 -0.035 1.664 1.00 0.00 C ATOM 589 C GLU A 35 -4.814 0.510 1.836 1.00 0.00 C ATOM 590 O GLU A 35 -4.175 0.294 2.868 1.00 0.00 O ATOM 591 CB GLU A 35 -7.139 0.495 2.776 1.00 0.00 C ATOM 592 CG GLU A 35 -6.791 -0.027 4.161 1.00 0.00 C ATOM 593 CD GLU A 35 -7.893 -0.881 4.755 1.00 0.00 C ATOM 594 OE1 GLU A 35 -8.033 -2.048 4.336 1.00 0.00 O ATOM 595 OE2 GLU A 35 -8.616 -0.381 5.643 1.00 0.00 O ATOM 0 H GLU A 35 -5.696 -1.915 2.427 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.617 0.306 0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.087 1.584 2.786 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.170 0.227 2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.873 -0.612 4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.592 0.815 4.823 1.00 0.00 H new ATOM 602 N ILE A 36 -4.334 1.222 0.820 1.00 0.00 N ATOM 603 CA ILE A 36 -2.998 1.804 0.853 1.00 0.00 C ATOM 604 C ILE A 36 -3.067 3.326 0.776 1.00 0.00 C ATOM 605 O ILE A 36 -3.639 3.888 -0.159 1.00 0.00 O ATOM 606 CB ILE A 36 -2.110 1.274 -0.297 1.00 0.00 C ATOM 607 CG1 ILE A 36 -0.706 1.885 -0.208 1.00 0.00 C ATOM 608 CG2 ILE A 36 -2.742 1.576 -1.649 1.00 0.00 C ATOM 609 CD1 ILE A 36 0.209 1.466 -1.337 1.00 0.00 C ATOM 0 H ILE A 36 -4.853 1.409 -0.038 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.548 1.507 1.801 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.025 0.192 -0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.791 2.972 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.253 1.598 0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.101 1.195 -2.444 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.719 1.096 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.859 2.654 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.184 1.936 -1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.325 0.382 -1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.221 1.777 -2.289 1.00 0.00 H new ATOM 621 N VAL A 37 -2.477 3.985 1.767 1.00 0.00 N ATOM 622 CA VAL A 37 -2.462 5.443 1.822 1.00 0.00 C ATOM 623 C VAL A 37 -1.039 5.966 2.015 1.00 0.00 C ATOM 624 O VAL A 37 -0.236 5.356 2.726 1.00 0.00 O ATOM 625 CB VAL A 37 -3.365 5.977 2.956 1.00 0.00 C ATOM 626 CG1 VAL A 37 -4.816 5.580 2.724 1.00 0.00 C ATOM 627 CG2 VAL A 37 -2.883 5.482 4.314 1.00 0.00 C ATOM 0 H VAL A 37 -2.001 3.531 2.546 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.851 5.803 0.870 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.304 7.065 2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.433 5.967 3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.160 5.995 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.896 4.493 2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.535 5.872 5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.905 4.392 4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.864 5.827 4.486 1.00 0.00 H new ATOM 637 N LEU A 38 -0.731 7.093 1.376 1.00 0.00 N ATOM 638 CA LEU A 38 0.599 7.691 1.477 1.00 0.00 C ATOM 639 C LEU A 38 0.532 9.218 1.474 1.00 0.00 C ATOM 640 O LEU A 38 -0.480 9.805 1.085 1.00 0.00 O ATOM 641 CB LEU A 38 1.494 7.203 0.332 1.00 0.00 C ATOM 642 CG LEU A 38 0.878 7.289 -1.070 1.00 0.00 C ATOM 643 CD1 LEU A 38 0.968 8.709 -1.610 1.00 0.00 C ATOM 644 CD2 LEU A 38 1.560 6.308 -2.013 1.00 0.00 C ATOM 0 H LEU A 38 -1.382 7.609 0.784 1.00 0.00 H new ATOM 0 HA LEU A 38 1.029 7.375 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.416 7.785 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.769 6.166 0.526 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.176 7.019 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.526 8.748 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.429 9.385 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.014 9.012 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.110 6.383 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.622 6.544 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.437 5.293 -1.634 1.00 0.00 H new ATOM 656 N LEU A 39 1.622 9.852 1.908 1.00 0.00 N ATOM 657 CA LEU A 39 1.697 11.310 1.953 1.00 0.00 C ATOM 658 C LEU A 39 2.592 11.851 0.842 1.00 0.00 C ATOM 659 O LEU A 39 3.454 11.141 0.323 1.00 0.00 O ATOM 660 CB LEU A 39 2.223 11.782 3.311 1.00 0.00 C ATOM 661 CG LEU A 39 1.416 12.909 3.960 1.00 0.00 C ATOM 662 CD1 LEU A 39 -0.008 12.453 4.250 1.00 0.00 C ATOM 663 CD2 LEU A 39 2.099 13.384 5.236 1.00 0.00 C ATOM 0 H LEU A 39 2.464 9.377 2.233 1.00 0.00 H new ATOM 0 HA LEU A 39 0.688 11.695 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.243 10.931 3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.253 12.117 3.189 1.00 0.00 H new ATOM 0 HG LEU A 39 1.369 13.745 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.565 13.269 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.494 12.163 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.014 11.600 4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.513 14.186 5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.177 12.554 5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.097 13.753 4.999 1.00 0.00 H new ATOM 675 N ASP A 40 2.375 13.119 0.492 1.00 0.00 N ATOM 676 CA ASP A 40 3.153 13.782 -0.556 1.00 0.00 C ATOM 677 C ASP A 40 2.843 15.280 -0.607 1.00 0.00 C ATOM 678 O ASP A 40 3.749 16.108 -0.716 1.00 0.00 O ATOM 679 CB ASP A 40 2.856 13.151 -1.922 1.00 0.00 C ATOM 680 CG ASP A 40 4.108 12.649 -2.615 1.00 0.00 C ATOM 681 OD1 ASP A 40 4.471 11.472 -2.406 1.00 0.00 O ATOM 682 OD2 ASP A 40 4.725 13.430 -3.366 1.00 0.00 O ATOM 0 H ASP A 40 1.663 13.710 0.921 1.00 0.00 H new ATOM 0 HA ASP A 40 4.209 13.652 -0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.160 12.323 -1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.362 13.886 -2.558 1.00 0.00 H new ATOM 687 N ASP A 41 1.553 15.611 -0.526 1.00 0.00 N ATOM 688 CA ASP A 41 1.094 17.001 -0.564 1.00 0.00 C ATOM 689 C ASP A 41 1.303 17.722 0.775 1.00 0.00 C ATOM 690 O ASP A 41 0.946 18.895 0.907 1.00 0.00 O ATOM 691 CB ASP A 41 -0.392 17.047 -0.944 1.00 0.00 C ATOM 692 CG ASP A 41 -1.259 16.207 -0.021 1.00 0.00 C ATOM 693 OD1 ASP A 41 -1.359 14.982 -0.253 1.00 0.00 O ATOM 694 OD2 ASP A 41 -1.826 16.770 0.937 1.00 0.00 O ATOM 0 H ASP A 41 0.801 14.928 -0.433 1.00 0.00 H new ATOM 0 HA ASP A 41 1.692 17.519 -1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.737 18.081 -0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.512 16.695 -1.969 1.00 0.00 H new ATOM 699 N GLU A 42 1.882 17.031 1.762 1.00 0.00 N ATOM 700 CA GLU A 42 2.128 17.632 3.070 1.00 0.00 C ATOM 701 C GLU A 42 3.416 18.448 3.056 1.00 0.00 C ATOM 702 O GLU A 42 3.513 19.481 3.723 1.00 0.00 O ATOM 703 CB GLU A 42 2.198 16.556 4.159 1.00 0.00 C ATOM 704 CG GLU A 42 1.585 17.000 5.478 1.00 0.00 C ATOM 705 CD GLU A 42 2.608 17.167 6.589 1.00 0.00 C ATOM 706 OE1 GLU A 42 3.727 17.651 6.312 1.00 0.00 O ATOM 707 OE2 GLU A 42 2.286 16.814 7.744 1.00 0.00 O ATOM 0 H GLU A 42 2.186 16.061 1.678 1.00 0.00 H new ATOM 0 HA GLU A 42 1.296 18.299 3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.684 15.660 3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.240 16.282 4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.063 17.945 5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.838 16.269 5.788 1.00 0.00 H new ATOM 714 N GLY A 43 4.403 17.980 2.289 1.00 0.00 N ATOM 715 CA GLY A 43 5.671 18.682 2.196 1.00 0.00 C ATOM 716 C GLY A 43 5.990 19.121 0.780 1.00 0.00 C ATOM 717 O GLY A 43 5.941 20.311 0.467 1.00 0.00 O ATOM 0 H GLY A 43 4.344 17.128 1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.647 19.556 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.469 18.035 2.560 1.00 0.00 H new ATOM 721 N LYS A 44 6.322 18.155 -0.078 1.00 0.00 N ATOM 722 CA LYS A 44 6.655 18.440 -1.471 1.00 0.00 C ATOM 723 C LYS A 44 6.151 17.330 -2.386 1.00 0.00 C ATOM 724 O LYS A 44 6.708 16.229 -2.412 1.00 0.00 O ATOM 725 CB LYS A 44 8.167 18.609 -1.637 1.00 0.00 C ATOM 726 CG LYS A 44 8.620 20.058 -1.626 1.00 0.00 C ATOM 727 CD LYS A 44 9.738 20.305 -2.628 1.00 0.00 C ATOM 728 CE LYS A 44 11.101 20.362 -1.950 1.00 0.00 C ATOM 729 NZ LYS A 44 11.959 21.446 -2.507 1.00 0.00 N ATOM 0 H LYS A 44 6.367 17.167 0.170 1.00 0.00 H new ATOM 0 HA LYS A 44 6.163 19.371 -1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.675 18.072 -0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.475 18.148 -2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.774 20.706 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.962 20.325 -0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.737 19.513 -3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.554 21.242 -3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.967 20.520 -0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.605 19.403 -2.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.876 21.449 -2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.109 21.282 -3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.491 22.364 -2.370 1.00 0.00 H new ATOM 743 N GLU A 45 5.095 17.629 -3.139 1.00 0.00 N ATOM 744 CA GLU A 45 4.510 16.665 -4.063 1.00 0.00 C ATOM 745 C GLU A 45 5.051 16.873 -5.483 1.00 0.00 C ATOM 746 O GLU A 45 4.295 16.880 -6.457 1.00 0.00 O ATOM 747 CB GLU A 45 2.980 16.790 -4.044 1.00 0.00 C ATOM 748 CG GLU A 45 2.261 15.642 -4.737 1.00 0.00 C ATOM 749 CD GLU A 45 1.133 16.111 -5.641 1.00 0.00 C ATOM 750 OE1 GLU A 45 0.271 16.882 -5.169 1.00 0.00 O ATOM 751 OE2 GLU A 45 1.112 15.702 -6.822 1.00 0.00 O ATOM 0 H GLU A 45 4.627 18.535 -3.126 1.00 0.00 H new ATOM 0 HA GLU A 45 4.787 15.661 -3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.642 16.846 -3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.695 17.727 -4.523 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.980 15.073 -5.327 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.859 14.964 -3.984 1.00 0.00 H new ATOM 758 N ILE A 46 6.371 17.045 -5.589 1.00 0.00 N ATOM 759 CA ILE A 46 7.019 17.256 -6.880 1.00 0.00 C ATOM 760 C ILE A 46 8.170 16.268 -7.078 1.00 0.00 C ATOM 761 O ILE A 46 9.134 16.274 -6.308 1.00 0.00 O ATOM 762 CB ILE A 46 7.561 18.697 -7.015 1.00 0.00 C ATOM 763 CG1 ILE A 46 6.487 19.721 -6.623 1.00 0.00 C ATOM 764 CG2 ILE A 46 8.050 18.952 -8.437 1.00 0.00 C ATOM 765 CD1 ILE A 46 6.557 20.153 -5.173 1.00 0.00 C ATOM 0 H ILE A 46 7.010 17.042 -4.794 1.00 0.00 H new ATOM 0 HA ILE A 46 6.262 17.093 -7.647 1.00 0.00 H new ATOM 0 HB ILE A 46 8.404 18.810 -6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.586 20.600 -7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.503 19.295 -6.819 1.00 0.00 H new ATOM 0 HG21 ILE A 46 8.428 19.971 -8.514 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.848 18.250 -8.679 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.224 18.818 -9.135 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.768 20.877 -4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.427 19.284 -4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.527 20.609 -4.976 1.00 0.00 H new ATOM 777 N PRO A 47 8.081 15.403 -8.112 1.00 0.00 N ATOM 778 CA PRO A 47 9.119 14.402 -8.409 1.00 0.00 C ATOM 779 C PRO A 47 10.507 15.024 -8.575 1.00 0.00 C ATOM 780 O PRO A 47 10.633 16.229 -8.802 1.00 0.00 O ATOM 781 CB PRO A 47 8.652 13.787 -9.736 1.00 0.00 C ATOM 782 CG PRO A 47 7.182 14.026 -9.774 1.00 0.00 C ATOM 783 CD PRO A 47 6.955 15.330 -9.065 1.00 0.00 C ATOM 0 HA PRO A 47 9.226 13.681 -7.599 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.150 14.255 -10.585 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.880 12.722 -9.780 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.821 14.073 -10.801 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.642 13.216 -9.283 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.961 16.171 -9.759 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.993 15.346 -8.552 1.00 0.00 H new ATOM 791 N ALA A 48 11.548 14.191 -8.462 1.00 0.00 N ATOM 792 CA ALA A 48 12.927 14.657 -8.598 1.00 0.00 C ATOM 793 C ALA A 48 13.716 13.798 -9.589 1.00 0.00 C ATOM 794 O ALA A 48 14.035 14.249 -10.690 1.00 0.00 O ATOM 795 CB ALA A 48 13.615 14.673 -7.238 1.00 0.00 C ATOM 0 H ALA A 48 11.459 13.192 -8.277 1.00 0.00 H new ATOM 0 HA ALA A 48 12.899 15.673 -8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.641 15.022 -7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.078 15.342 -6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.619 13.666 -6.820 1.00 0.00 H new ATOM 801 N THR A 49 14.031 12.563 -9.192 1.00 0.00 N ATOM 802 CA THR A 49 14.783 11.647 -10.052 1.00 0.00 C ATOM 803 C THR A 49 13.918 10.464 -10.481 1.00 0.00 C ATOM 804 O THR A 49 13.642 10.291 -11.669 1.00 0.00 O ATOM 805 CB THR A 49 16.050 11.150 -9.346 1.00 0.00 C ATOM 806 OG1 THR A 49 15.802 10.898 -7.974 1.00 0.00 O ATOM 807 CG2 THR A 49 17.204 12.129 -9.433 1.00 0.00 C ATOM 0 H THR A 49 13.778 12.175 -8.283 1.00 0.00 H new ATOM 0 HA THR A 49 15.078 12.198 -10.945 1.00 0.00 H new ATOM 0 HB THR A 49 16.328 10.234 -9.867 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.624 10.581 -7.546 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.070 11.718 -8.914 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.456 12.302 -10.479 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.917 13.072 -8.968 1.00 0.00 H new ATOM 815 N ILE A 50 13.486 9.653 -9.512 1.00 0.00 N ATOM 816 CA ILE A 50 12.649 8.497 -9.812 1.00 0.00 C ATOM 817 C ILE A 50 11.223 8.700 -9.292 1.00 0.00 C ATOM 818 O ILE A 50 10.333 9.068 -10.059 1.00 0.00 O ATOM 819 CB ILE A 50 13.243 7.188 -9.237 1.00 0.00 C ATOM 820 CG1 ILE A 50 14.654 6.957 -9.785 1.00 0.00 C ATOM 821 CG2 ILE A 50 12.348 5.998 -9.569 1.00 0.00 C ATOM 822 CD1 ILE A 50 15.343 5.742 -9.197 1.00 0.00 C ATOM 0 H ILE A 50 13.701 9.777 -8.523 1.00 0.00 H new ATOM 0 HA ILE A 50 12.618 8.403 -10.897 1.00 0.00 H new ATOM 0 HB ILE A 50 13.299 7.286 -8.153 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.600 6.845 -10.868 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.261 7.840 -9.586 1.00 0.00 H new ATOM 0 HG21 ILE A 50 12.784 5.088 -9.156 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.359 6.155 -9.138 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.261 5.899 -10.651 1.00 0.00 H new ATOM 0 HD11 ILE A 50 16.337 5.642 -9.632 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.429 5.860 -8.117 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.758 4.849 -9.419 1.00 0.00 H new ATOM 834 N PHE A 51 11.013 8.467 -7.989 1.00 0.00 N ATOM 835 CA PHE A 51 9.695 8.629 -7.371 1.00 0.00 C ATOM 836 C PHE A 51 8.630 7.812 -8.110 1.00 0.00 C ATOM 837 O PHE A 51 8.030 8.283 -9.078 1.00 0.00 O ATOM 838 CB PHE A 51 9.311 10.114 -7.328 1.00 0.00 C ATOM 839 CG PHE A 51 7.881 10.377 -6.927 1.00 0.00 C ATOM 840 CD1 PHE A 51 7.399 9.950 -5.697 1.00 0.00 C ATOM 841 CD2 PHE A 51 7.023 11.054 -7.778 1.00 0.00 C ATOM 842 CE1 PHE A 51 6.089 10.195 -5.327 1.00 0.00 C ATOM 843 CE2 PHE A 51 5.714 11.300 -7.415 1.00 0.00 C ATOM 844 CZ PHE A 51 5.246 10.871 -6.189 1.00 0.00 C ATOM 0 H PHE A 51 11.743 8.165 -7.343 1.00 0.00 H new ATOM 0 HA PHE A 51 9.748 8.251 -6.350 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.972 10.627 -6.629 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.486 10.550 -8.311 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.054 9.420 -5.021 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.383 11.394 -8.738 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.726 9.859 -4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.056 11.828 -8.090 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.222 11.063 -5.904 1.00 0.00 H new ATOM 854 N ASP A 52 8.396 6.587 -7.640 1.00 0.00 N ATOM 855 CA ASP A 52 7.404 5.706 -8.250 1.00 0.00 C ATOM 856 C ASP A 52 7.002 4.597 -7.286 1.00 0.00 C ATOM 857 O ASP A 52 7.852 3.857 -6.788 1.00 0.00 O ATOM 858 CB ASP A 52 7.945 5.096 -9.548 1.00 0.00 C ATOM 859 CG ASP A 52 6.884 5.000 -10.629 1.00 0.00 C ATOM 860 OD1 ASP A 52 5.779 4.491 -10.336 1.00 0.00 O ATOM 861 OD2 ASP A 52 7.156 5.433 -11.769 1.00 0.00 O ATOM 0 H ASP A 52 8.881 6.183 -6.838 1.00 0.00 H new ATOM 0 HA ASP A 52 6.524 6.305 -8.483 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.776 5.700 -9.911 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.340 4.101 -9.342 1.00 0.00 H new ATOM 866 N LYS A 53 5.705 4.487 -7.026 1.00 0.00 N ATOM 867 CA LYS A 53 5.193 3.469 -6.122 1.00 0.00 C ATOM 868 C LYS A 53 4.265 2.512 -6.867 1.00 0.00 C ATOM 869 O LYS A 53 3.435 2.935 -7.674 1.00 0.00 O ATOM 870 CB LYS A 53 4.458 4.121 -4.945 1.00 0.00 C ATOM 871 CG LYS A 53 5.195 5.310 -4.336 1.00 0.00 C ATOM 872 CD LYS A 53 4.876 6.608 -5.062 1.00 0.00 C ATOM 873 CE LYS A 53 3.987 7.514 -4.224 1.00 0.00 C ATOM 874 NZ LYS A 53 3.172 8.436 -5.068 1.00 0.00 N ATOM 0 H LYS A 53 4.989 5.092 -7.430 1.00 0.00 H new ATOM 0 HA LYS A 53 6.035 2.898 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.474 4.449 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.296 3.371 -4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.923 5.406 -3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.269 5.128 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.803 7.128 -5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.381 6.385 -6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.324 6.904 -3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.605 8.098 -3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.520 8.975 -4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.801 9.093 -5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.626 7.883 -5.759 1.00 0.00 H new ATOM 888 N VAL A 54 4.415 1.217 -6.598 1.00 0.00 N ATOM 889 CA VAL A 54 3.595 0.199 -7.250 1.00 0.00 C ATOM 890 C VAL A 54 2.968 -0.739 -6.223 1.00 0.00 C ATOM 891 O VAL A 54 3.633 -1.177 -5.282 1.00 0.00 O ATOM 892 CB VAL A 54 4.414 -0.631 -8.262 1.00 0.00 C ATOM 893 CG1 VAL A 54 3.490 -1.441 -9.158 1.00 0.00 C ATOM 894 CG2 VAL A 54 5.323 0.269 -9.092 1.00 0.00 C ATOM 0 H VAL A 54 5.096 0.848 -5.934 1.00 0.00 H new ATOM 0 HA VAL A 54 2.807 0.726 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 54 5.045 -1.324 -7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.084 -2.020 -9.865 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.892 -2.117 -8.547 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.831 -0.767 -9.705 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.890 -0.338 -9.798 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.718 0.992 -9.639 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.012 0.798 -8.433 1.00 0.00 H new ATOM 904 N ILE A 55 1.684 -1.033 -6.412 1.00 0.00 N ATOM 905 CA ILE A 55 0.949 -1.911 -5.505 1.00 0.00 C ATOM 906 C ILE A 55 0.556 -3.220 -6.190 1.00 0.00 C ATOM 907 O ILE A 55 0.165 -3.233 -7.359 1.00 0.00 O ATOM 908 CB ILE A 55 -0.324 -1.219 -4.970 1.00 0.00 C ATOM 909 CG1 ILE A 55 0.009 0.172 -4.421 1.00 0.00 C ATOM 910 CG2 ILE A 55 -0.987 -2.073 -3.898 1.00 0.00 C ATOM 911 CD1 ILE A 55 -1.042 1.215 -4.734 1.00 0.00 C ATOM 0 H ILE A 55 1.129 -0.674 -7.189 1.00 0.00 H new ATOM 0 HA ILE A 55 1.616 -2.133 -4.672 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.024 -1.102 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.133 0.107 -3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.965 0.497 -4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.882 -1.569 -3.533 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.262 -3.039 -4.321 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.293 -2.223 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.739 2.174 -4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.150 1.309 -5.814 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.995 0.913 -4.299 1.00 0.00 H new ATOM 923 N TYR A 56 0.654 -4.317 -5.449 1.00 0.00 N ATOM 924 CA TYR A 56 0.302 -5.632 -5.972 1.00 0.00 C ATOM 925 C TYR A 56 -0.350 -6.481 -4.886 1.00 0.00 C ATOM 926 O TYR A 56 0.181 -6.605 -3.784 1.00 0.00 O ATOM 927 CB TYR A 56 1.543 -6.342 -6.520 1.00 0.00 C ATOM 928 CG TYR A 56 1.259 -7.193 -7.738 1.00 0.00 C ATOM 929 CD1 TYR A 56 1.036 -6.609 -8.978 1.00 0.00 C ATOM 930 CD2 TYR A 56 1.214 -8.577 -7.644 1.00 0.00 C ATOM 931 CE1 TYR A 56 0.774 -7.382 -10.093 1.00 0.00 C ATOM 932 CE2 TYR A 56 0.952 -9.358 -8.754 1.00 0.00 C ATOM 933 CZ TYR A 56 0.735 -8.754 -9.977 1.00 0.00 C ATOM 934 OH TYR A 56 0.477 -9.527 -11.083 1.00 0.00 O ATOM 0 H TYR A 56 0.975 -4.322 -4.481 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.411 -5.496 -6.786 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.296 -5.597 -6.774 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.968 -6.971 -5.738 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.068 -5.534 -9.072 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.386 -9.051 -6.689 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.601 -6.913 -11.050 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.917 -10.434 -8.665 1.00 0.00 H new ATOM 0 HH TYR A 56 0.486 -10.474 -10.830 1.00 0.00 H new ATOM 944 N HIS A 57 -1.507 -7.054 -5.202 1.00 0.00 N ATOM 945 CA HIS A 57 -2.236 -7.884 -4.249 1.00 0.00 C ATOM 946 C HIS A 57 -2.845 -9.102 -4.939 1.00 0.00 C ATOM 947 O HIS A 57 -3.601 -8.963 -5.902 1.00 0.00 O ATOM 948 CB HIS A 57 -3.330 -7.066 -3.550 1.00 0.00 C ATOM 949 CG HIS A 57 -4.256 -6.358 -4.494 1.00 0.00 C ATOM 950 ND1 HIS A 57 -5.592 -6.673 -4.615 1.00 0.00 N ATOM 951 CD2 HIS A 57 -4.031 -5.343 -5.363 1.00 0.00 C ATOM 952 CE1 HIS A 57 -6.149 -5.886 -5.516 1.00 0.00 C ATOM 953 NE2 HIS A 57 -5.223 -5.070 -5.987 1.00 0.00 N ATOM 0 H HIS A 57 -1.960 -6.959 -6.111 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.528 -8.236 -3.498 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -3.914 -7.729 -2.912 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.859 -6.330 -2.898 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -6.075 -7.401 -4.090 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.089 -4.842 -5.533 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -7.186 -5.906 -5.817 1.00 0.00 H new ATOM 962 N LEU A 58 -2.496 -10.294 -4.444 1.00 0.00 N ATOM 963 CA LEU A 58 -2.991 -11.550 -5.006 1.00 0.00 C ATOM 964 C LEU A 58 -2.401 -11.791 -6.398 1.00 0.00 C ATOM 965 O LEU A 58 -1.558 -11.022 -6.866 1.00 0.00 O ATOM 966 CB LEU A 58 -4.526 -11.553 -5.066 1.00 0.00 C ATOM 967 CG LEU A 58 -5.232 -11.477 -3.708 1.00 0.00 C ATOM 968 CD1 LEU A 58 -6.716 -11.194 -3.894 1.00 0.00 C ATOM 969 CD2 LEU A 58 -5.028 -12.766 -2.927 1.00 0.00 C ATOM 0 H LEU A 58 -1.868 -10.413 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.672 -12.361 -4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.852 -10.709 -5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.852 -12.459 -5.577 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.794 -10.658 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.202 -11.143 -2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.843 -10.244 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.168 -11.992 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.536 -12.693 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.439 -13.603 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.963 -12.927 -2.763 1.00 0.00 H new ATOM 1071 N PRO A 65 -3.804 -4.678 -11.542 1.00 0.00 N ATOM 1072 CA PRO A 65 -2.863 -4.286 -10.487 1.00 0.00 C ATOM 1073 C PRO A 65 -3.025 -2.820 -10.091 1.00 0.00 C ATOM 1074 O PRO A 65 -3.645 -2.037 -10.813 1.00 0.00 O ATOM 1075 CB PRO A 65 -1.491 -4.528 -11.119 1.00 0.00 C ATOM 1076 CG PRO A 65 -1.725 -4.438 -12.587 1.00 0.00 C ATOM 1077 CD PRO A 65 -3.117 -4.958 -12.818 1.00 0.00 C ATOM 0 HA PRO A 65 -3.020 -4.849 -9.567 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.767 -3.784 -10.788 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.095 -5.505 -10.841 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -1.630 -3.409 -12.935 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.992 -5.029 -13.136 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.601 -4.453 -13.654 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.115 -6.024 -13.048 1.00 0.00 H new ATOM 1085 N ASN A 66 -2.475 -2.459 -8.935 1.00 0.00 N ATOM 1086 CA ASN A 66 -2.567 -1.090 -8.437 1.00 0.00 C ATOM 1087 C ASN A 66 -1.218 -0.376 -8.537 1.00 0.00 C ATOM 1088 O ASN A 66 -0.165 -1.015 -8.593 1.00 0.00 O ATOM 1089 CB ASN A 66 -3.065 -1.091 -6.985 1.00 0.00 C ATOM 1090 CG ASN A 66 -4.581 -1.165 -6.873 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -5.201 -0.346 -6.197 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -5.193 -2.151 -7.529 1.00 0.00 N ATOM 0 H ASN A 66 -1.961 -3.095 -8.326 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.281 -0.548 -9.057 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.626 -1.938 -6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.714 -0.188 -6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.208 -2.244 -7.480 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.647 -2.813 -8.080 1.00 0.00 H new ATOM 1099 N ARG A 67 -1.255 0.953 -8.561 1.00 0.00 N ATOM 1100 CA ARG A 67 -0.036 1.753 -8.652 1.00 0.00 C ATOM 1101 C ARG A 67 -0.223 3.103 -7.970 1.00 0.00 C ATOM 1102 O ARG A 67 -1.347 3.586 -7.823 1.00 0.00 O ATOM 1103 CB ARG A 67 0.375 1.948 -10.113 1.00 0.00 C ATOM 1104 CG ARG A 67 1.557 1.086 -10.520 1.00 0.00 C ATOM 1105 CD ARG A 67 1.398 0.553 -11.934 1.00 0.00 C ATOM 1106 NE ARG A 67 2.602 -0.131 -12.399 1.00 0.00 N ATOM 1107 CZ ARG A 67 2.630 -0.996 -13.415 1.00 0.00 C ATOM 1108 NH1 ARG A 67 1.522 -1.281 -14.097 1.00 0.00 N ATOM 1109 NH2 ARG A 67 3.776 -1.577 -13.752 1.00 0.00 N ATOM 0 H ARG A 67 -2.115 1.499 -8.519 1.00 0.00 H new ATOM 0 HA ARG A 67 0.760 1.215 -8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.474 1.717 -10.757 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.624 2.996 -10.277 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.475 1.670 -10.451 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.657 0.252 -9.825 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.553 -0.135 -11.969 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.166 1.377 -12.608 1.00 0.00 H new ATOM 0 HE ARG A 67 3.479 0.065 -11.916 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.639 -0.836 -13.845 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.556 -1.944 -14.872 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.628 -1.361 -13.235 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.803 -2.239 -14.528 1.00 0.00 H new ATOM 1123 N THR A 68 0.886 3.706 -7.551 1.00 0.00 N ATOM 1124 CA THR A 68 0.851 4.997 -6.880 1.00 0.00 C ATOM 1125 C THR A 68 1.915 5.929 -7.440 1.00 0.00 C ATOM 1126 O THR A 68 3.096 5.584 -7.491 1.00 0.00 O ATOM 1127 CB THR A 68 1.048 4.832 -5.367 1.00 0.00 C ATOM 1128 OG1 THR A 68 1.398 3.498 -5.031 1.00 0.00 O ATOM 1129 CG2 THR A 68 -0.186 5.198 -4.574 1.00 0.00 C ATOM 0 H THR A 68 1.822 3.318 -7.666 1.00 0.00 H new ATOM 0 HA THR A 68 -0.130 5.437 -7.060 1.00 0.00 H new ATOM 0 HB THR A 68 1.856 5.515 -5.107 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.518 3.426 -4.061 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.011 5.062 -3.511 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.445 6.239 -4.765 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.015 4.557 -4.874 1.00 0.00 H new ATOM 1137 N PHE A 69 1.488 7.111 -7.862 1.00 0.00 N ATOM 1138 CA PHE A 69 2.402 8.101 -8.425 1.00 0.00 C ATOM 1139 C PHE A 69 1.737 9.478 -8.499 1.00 0.00 C ATOM 1140 O PHE A 69 2.341 10.485 -8.130 1.00 0.00 O ATOM 1141 CB PHE A 69 2.892 7.657 -9.813 1.00 0.00 C ATOM 1142 CG PHE A 69 1.789 7.263 -10.761 1.00 0.00 C ATOM 1143 CD1 PHE A 69 1.138 6.046 -10.623 1.00 0.00 C ATOM 1144 CD2 PHE A 69 1.405 8.111 -11.785 1.00 0.00 C ATOM 1145 CE1 PHE A 69 0.123 5.686 -11.486 1.00 0.00 C ATOM 1146 CE2 PHE A 69 0.389 7.755 -12.653 1.00 0.00 C ATOM 1147 CZ PHE A 69 -0.252 6.542 -12.503 1.00 0.00 C ATOM 0 H PHE A 69 0.514 7.410 -7.826 1.00 0.00 H new ATOM 0 HA PHE A 69 3.266 8.179 -7.766 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.467 8.468 -10.260 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.571 6.813 -9.693 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.429 5.372 -9.831 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.904 9.061 -11.908 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -0.377 4.736 -11.366 1.00 0.00 H new ATOM 0 HE2 PHE A 69 0.097 8.426 -13.448 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.046 6.263 -13.180 1.00 0.00 H new ATOM 1157 N THR A 70 0.489 9.506 -8.973 1.00 0.00 N ATOM 1158 CA THR A 70 -0.269 10.749 -9.092 1.00 0.00 C ATOM 1159 C THR A 70 -1.765 10.507 -8.832 1.00 0.00 C ATOM 1160 O THR A 70 -2.624 11.198 -9.384 1.00 0.00 O ATOM 1161 CB THR A 70 -0.049 11.360 -10.485 1.00 0.00 C ATOM 1162 OG1 THR A 70 -0.574 12.674 -10.553 1.00 0.00 O ATOM 1163 CG2 THR A 70 -0.676 10.554 -11.604 1.00 0.00 C ATOM 0 H THR A 70 -0.018 8.676 -9.281 1.00 0.00 H new ATOM 0 HA THR A 70 0.088 11.451 -8.338 1.00 0.00 H new ATOM 0 HB THR A 70 1.032 11.362 -10.624 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.462 12.693 -10.138 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.481 11.044 -12.558 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.246 9.552 -11.616 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.752 10.485 -11.444 1.00 0.00 H new ATOM 1171 N ASP A 71 -2.069 9.521 -7.984 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.454 9.192 -7.656 1.00 0.00 C ATOM 1173 C ASP A 71 -3.636 9.005 -6.150 1.00 0.00 C ATOM 1174 O ASP A 71 -2.678 8.709 -5.431 1.00 0.00 O ATOM 1175 CB ASP A 71 -3.887 7.921 -8.399 1.00 0.00 C ATOM 1176 CG ASP A 71 -4.000 8.131 -9.900 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -4.737 9.048 -10.320 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -3.350 7.377 -10.655 1.00 0.00 O ATOM 0 H ASP A 71 -1.375 8.939 -7.514 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.082 10.025 -7.974 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.168 7.126 -8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.848 7.587 -8.009 1.00 0.00 H new ATOM 1183 N PRO A 72 -4.881 9.175 -5.651 1.00 0.00 N ATOM 1184 CA PRO A 72 -5.200 9.022 -4.223 1.00 0.00 C ATOM 1185 C PRO A 72 -5.039 7.575 -3.746 1.00 0.00 C ATOM 1186 O PRO A 72 -4.762 6.680 -4.549 1.00 0.00 O ATOM 1187 CB PRO A 72 -6.671 9.453 -4.138 1.00 0.00 C ATOM 1188 CG PRO A 72 -7.212 9.242 -5.508 1.00 0.00 C ATOM 1189 CD PRO A 72 -6.073 9.526 -6.447 1.00 0.00 C ATOM 0 HA PRO A 72 -4.534 9.608 -3.590 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.215 8.860 -3.403 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.760 10.496 -3.834 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.576 8.222 -5.632 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.054 9.906 -5.702 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.141 8.927 -7.355 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.057 10.571 -6.756 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.216 7.323 -2.429 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.095 5.976 -1.841 1.00 0.00 C ATOM 1199 C PRO A 73 -5.984 4.944 -2.536 1.00 0.00 C ATOM 1200 O PRO A 73 -6.853 5.297 -3.338 1.00 0.00 O ATOM 1201 CB PRO A 73 -5.535 6.167 -0.382 1.00 0.00 C ATOM 1202 CG PRO A 73 -6.197 7.503 -0.336 1.00 0.00 C ATOM 1203 CD PRO A 73 -5.548 8.327 -1.407 1.00 0.00 C ATOM 0 HA PRO A 73 -4.081 5.589 -1.944 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.221 5.378 -0.073 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.680 6.129 0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.269 7.413 -0.510 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.071 7.967 0.642 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.222 9.092 -1.794 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.659 8.841 -1.040 1.00 0.00 H new ATOM 1211 N PHE A 74 -5.756 3.664 -2.232 1.00 0.00 N ATOM 1212 CA PHE A 74 -6.532 2.585 -2.846 1.00 0.00 C ATOM 1213 C PHE A 74 -7.110 1.630 -1.801 1.00 0.00 C ATOM 1214 O PHE A 74 -6.494 0.620 -1.457 1.00 0.00 O ATOM 1215 CB PHE A 74 -5.662 1.812 -3.842 1.00 0.00 C ATOM 1216 CG PHE A 74 -5.385 2.568 -5.114 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -4.337 3.472 -5.182 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -6.171 2.373 -6.238 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -4.078 4.168 -6.347 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -5.917 3.066 -7.405 1.00 0.00 C ATOM 1221 CZ PHE A 74 -4.870 3.964 -7.460 1.00 0.00 C ATOM 0 H PHE A 74 -5.046 3.351 -1.570 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.370 3.041 -3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -4.715 1.560 -3.365 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.155 0.871 -4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.715 3.634 -4.314 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.991 1.671 -6.201 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.258 4.870 -6.387 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.537 2.906 -8.274 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.670 4.506 -8.372 1.00 0.00 H new ATOM 1231 N ARG A 75 -8.308 1.955 -1.315 1.00 0.00 N ATOM 1232 CA ARG A 75 -8.998 1.135 -0.325 1.00 0.00 C ATOM 1233 C ARG A 75 -10.181 0.411 -0.970 1.00 0.00 C ATOM 1234 O ARG A 75 -11.294 0.941 -1.018 1.00 0.00 O ATOM 1235 CB ARG A 75 -9.479 2.004 0.842 1.00 0.00 C ATOM 1236 CG ARG A 75 -10.286 1.237 1.882 1.00 0.00 C ATOM 1237 CD ARG A 75 -10.085 1.802 3.281 1.00 0.00 C ATOM 1238 NE ARG A 75 -11.235 2.591 3.724 1.00 0.00 N ATOM 1239 CZ ARG A 75 -12.390 2.062 4.139 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -12.564 0.739 4.161 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -13.380 2.858 4.530 1.00 0.00 N ATOM 0 H ARG A 75 -8.823 2.789 -1.596 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.301 0.391 0.059 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.614 2.457 1.327 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.088 2.819 0.450 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.344 1.276 1.623 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.993 0.187 1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.915 0.984 3.981 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.191 2.425 3.295 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.150 3.607 3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.811 0.121 3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.450 0.346 4.480 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.257 3.870 4.513 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.262 2.456 4.847 1.00 0.00 H new ATOM 1255 N ILE A 76 -9.933 -0.799 -1.474 1.00 0.00 N ATOM 1256 CA ILE A 76 -10.979 -1.586 -2.123 1.00 0.00 C ATOM 1257 C ILE A 76 -11.149 -2.950 -1.457 1.00 0.00 C ATOM 1258 O ILE A 76 -10.167 -3.620 -1.128 1.00 0.00 O ATOM 1259 CB ILE A 76 -10.690 -1.792 -3.629 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -10.333 -0.459 -4.297 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -11.890 -2.431 -4.318 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -9.033 -0.500 -5.071 1.00 0.00 C ATOM 0 H ILE A 76 -9.020 -1.253 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.902 -1.017 -2.014 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.837 -2.463 -3.727 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -11.140 -0.173 -4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.267 0.315 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.671 -2.569 -5.377 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.099 -3.398 -3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.760 -1.783 -4.209 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.844 0.477 -5.517 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.216 -0.756 -4.396 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -9.102 -1.251 -5.858 1.00 0.00 H new ATOM 1274 N GLU A 77 -12.404 -3.355 -1.268 1.00 0.00 N ATOM 1275 CA GLU A 77 -12.716 -4.639 -0.651 1.00 0.00 C ATOM 1276 C GLU A 77 -13.710 -5.424 -1.504 1.00 0.00 C ATOM 1277 O GLU A 77 -14.627 -4.845 -2.094 1.00 0.00 O ATOM 1278 CB GLU A 77 -13.278 -4.429 0.756 1.00 0.00 C ATOM 1279 CG GLU A 77 -14.495 -3.514 0.811 1.00 0.00 C ATOM 1280 CD GLU A 77 -14.965 -3.261 2.230 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -15.501 -4.204 2.854 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -14.793 -2.126 2.720 1.00 0.00 O ATOM 0 H GLU A 77 -13.223 -2.808 -1.535 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.794 -5.216 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.546 -5.398 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.495 -4.012 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.253 -2.563 0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.307 -3.959 0.236 1.00 0.00 H new ATOM 1289 N GLU A 78 -13.518 -6.744 -1.568 1.00 0.00 N ATOM 1290 CA GLU A 78 -14.396 -7.607 -2.356 1.00 0.00 C ATOM 1291 C GLU A 78 -14.307 -9.068 -1.905 1.00 0.00 C ATOM 1292 O GLU A 78 -13.415 -9.444 -1.142 1.00 0.00 O ATOM 1293 CB GLU A 78 -14.041 -7.501 -3.842 1.00 0.00 C ATOM 1294 CG GLU A 78 -15.254 -7.477 -4.758 1.00 0.00 C ATOM 1295 CD GLU A 78 -15.973 -6.140 -4.750 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -16.839 -5.936 -3.876 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -15.673 -5.299 -5.623 1.00 0.00 O ATOM 0 H GLU A 78 -12.765 -7.235 -1.085 1.00 0.00 H new ATOM 0 HA GLU A 78 -15.420 -7.269 -2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.456 -6.595 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.406 -8.343 -4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.939 -7.709 -5.776 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.949 -8.260 -4.453 1.00 0.00 H new ATOM 1304 N GLN A 79 -15.242 -9.884 -2.395 1.00 0.00 N ATOM 1305 CA GLN A 79 -15.282 -11.308 -2.059 1.00 0.00 C ATOM 1306 C GLN A 79 -14.834 -12.162 -3.248 1.00 0.00 C ATOM 1307 O GLN A 79 -14.589 -11.645 -4.340 1.00 0.00 O ATOM 1308 CB GLN A 79 -16.694 -11.723 -1.629 1.00 0.00 C ATOM 1309 CG GLN A 79 -17.471 -10.630 -0.907 1.00 0.00 C ATOM 1310 CD GLN A 79 -18.903 -11.034 -0.602 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -19.794 -10.879 -1.436 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -19.130 -11.559 0.598 1.00 0.00 N ATOM 0 H GLN A 79 -15.983 -9.582 -3.027 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.595 -11.473 -1.229 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.255 -12.030 -2.511 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -16.622 -12.594 -0.977 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -16.961 -10.382 0.024 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -17.475 -9.728 -1.519 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.362 -11.670 1.260 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -20.072 -11.851 0.857 1.00 0.00 H new ATOM 1321 N GLY A 80 -14.732 -13.472 -3.024 1.00 0.00 N ATOM 1322 CA GLY A 80 -14.316 -14.381 -4.080 1.00 0.00 C ATOM 1323 C GLY A 80 -13.339 -15.428 -3.595 1.00 0.00 C ATOM 1324 O GLY A 80 -13.465 -15.931 -2.478 1.00 0.00 O ATOM 0 H GLY A 80 -14.930 -13.919 -2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.194 -14.874 -4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.859 -13.809 -4.887 1.00 0.00 H new ATOM 1328 N TRP A 81 -12.361 -15.755 -4.433 1.00 0.00 N ATOM 1329 CA TRP A 81 -11.358 -16.747 -4.076 1.00 0.00 C ATOM 1330 C TRP A 81 -9.950 -16.186 -4.251 1.00 0.00 C ATOM 1331 O TRP A 81 -9.490 -15.958 -5.371 1.00 0.00 O ATOM 1332 CB TRP A 81 -11.534 -18.027 -4.906 1.00 0.00 C ATOM 1333 CG TRP A 81 -11.452 -17.817 -6.394 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -12.362 -17.180 -7.188 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -10.400 -18.254 -7.263 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -11.940 -17.190 -8.495 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -10.739 -17.844 -8.568 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -9.203 -18.948 -7.067 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -9.924 -18.109 -9.668 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -8.396 -19.211 -8.160 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -8.761 -18.793 -9.445 1.00 0.00 C ATOM 0 H TRP A 81 -12.243 -15.348 -5.361 1.00 0.00 H new ATOM 0 HA TRP A 81 -11.497 -16.999 -3.025 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -10.770 -18.746 -4.610 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -12.500 -18.471 -4.666 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -13.281 -16.733 -6.839 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -12.440 -16.778 -9.283 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -8.913 -19.274 -6.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -10.201 -17.786 -10.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.469 -19.748 -8.019 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -8.110 -19.015 -10.278 1.00 0.00 H new ATOM 1352 N GLY A 82 -9.273 -15.964 -3.129 1.00 0.00 N ATOM 1353 CA GLY A 82 -7.923 -15.434 -3.163 1.00 0.00 C ATOM 1354 C GLY A 82 -6.881 -16.490 -2.853 1.00 0.00 C ATOM 1355 O GLY A 82 -6.875 -17.564 -3.458 1.00 0.00 O ATOM 0 H GLY A 82 -9.637 -16.143 -2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.726 -15.011 -4.148 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.837 -14.620 -2.443 1.00 0.00 H new ATOM 1359 N GLY A 83 -5.989 -16.176 -1.913 1.00 0.00 N ATOM 1360 CA GLY A 83 -4.934 -17.101 -1.539 1.00 0.00 C ATOM 1361 C GLY A 83 -3.680 -16.880 -2.357 1.00 0.00 C ATOM 1362 O GLY A 83 -3.105 -17.827 -2.895 1.00 0.00 O ATOM 0 H GLY A 83 -5.981 -15.293 -1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.704 -16.982 -0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.282 -18.125 -1.676 1.00 0.00 H new ATOM 1366 N PHE A 84 -3.267 -15.619 -2.459 1.00 0.00 N ATOM 1367 CA PHE A 84 -2.082 -15.256 -3.225 1.00 0.00 C ATOM 1368 C PHE A 84 -1.300 -14.140 -2.530 1.00 0.00 C ATOM 1369 O PHE A 84 -1.840 -13.421 -1.687 1.00 0.00 O ATOM 1370 CB PHE A 84 -2.484 -14.820 -4.637 1.00 0.00 C ATOM 1371 CG PHE A 84 -2.952 -15.954 -5.508 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -2.054 -16.893 -5.987 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -4.292 -16.079 -5.847 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -2.480 -17.935 -6.789 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -4.723 -17.119 -6.648 1.00 0.00 C ATOM 1376 CZ PHE A 84 -3.816 -18.047 -7.119 1.00 0.00 C ATOM 0 H PHE A 84 -3.739 -14.830 -2.018 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.436 -16.131 -3.291 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.278 -14.076 -4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -1.633 -14.334 -5.114 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.008 -16.810 -5.731 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.005 -15.356 -5.481 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.769 -18.660 -7.157 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.768 -17.206 -6.905 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.151 -18.860 -7.745 1.00 0.00 H new ATOM 1386 N PRO A 85 -0.007 -13.992 -2.873 1.00 0.00 N ATOM 1387 CA PRO A 85 0.868 -12.970 -2.275 1.00 0.00 C ATOM 1388 C PRO A 85 0.481 -11.540 -2.646 1.00 0.00 C ATOM 1389 O PRO A 85 -0.243 -11.309 -3.612 1.00 0.00 O ATOM 1390 CB PRO A 85 2.247 -13.304 -2.848 1.00 0.00 C ATOM 1391 CG PRO A 85 1.972 -14.048 -4.108 1.00 0.00 C ATOM 1392 CD PRO A 85 0.709 -14.821 -3.861 1.00 0.00 C ATOM 0 HA PRO A 85 0.811 -12.995 -1.187 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.823 -12.399 -3.042 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.828 -13.909 -2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.853 -13.364 -4.948 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.797 -14.716 -4.355 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.129 -14.948 -4.775 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.917 -15.819 -3.474 1.00 0.00 H new ATOM 1400 N LEU A 86 0.992 -10.587 -1.868 1.00 0.00 N ATOM 1401 CA LEU A 86 0.736 -9.167 -2.091 1.00 0.00 C ATOM 1402 C LEU A 86 1.939 -8.348 -1.637 1.00 0.00 C ATOM 1403 O LEU A 86 2.489 -8.586 -0.560 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.529 -8.717 -1.342 1.00 0.00 C ATOM 1405 CG LEU A 86 -0.465 -8.825 0.187 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.237 -7.687 0.836 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -1.001 -10.171 0.650 1.00 0.00 C ATOM 0 H LEU A 86 1.594 -10.778 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 86 0.575 -9.005 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.738 -7.681 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.371 -9.312 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 86 0.578 -8.748 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.180 -7.781 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.805 -6.734 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.280 -7.730 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.948 -10.229 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.038 -10.279 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.402 -10.971 0.214 1.00 0.00 H new ATOM 1419 N ASP A 87 2.356 -7.393 -2.462 1.00 0.00 N ATOM 1420 CA ASP A 87 3.508 -6.557 -2.140 1.00 0.00 C ATOM 1421 C ASP A 87 3.311 -5.124 -2.629 1.00 0.00 C ATOM 1422 O ASP A 87 2.587 -4.879 -3.594 1.00 0.00 O ATOM 1423 CB ASP A 87 4.779 -7.152 -2.755 1.00 0.00 C ATOM 1424 CG ASP A 87 4.762 -7.124 -4.272 1.00 0.00 C ATOM 1425 OD1 ASP A 87 4.281 -8.105 -4.879 1.00 0.00 O ATOM 1426 OD2 ASP A 87 5.228 -6.120 -4.853 1.00 0.00 O ATOM 0 H ASP A 87 1.915 -7.179 -3.356 1.00 0.00 H new ATOM 0 HA ASP A 87 3.610 -6.531 -1.055 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.646 -6.598 -2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.895 -8.181 -2.416 1.00 0.00 H new ATOM 1431 N ILE A 88 3.967 -4.182 -1.953 1.00 0.00 N ATOM 1432 CA ILE A 88 3.873 -2.770 -2.311 1.00 0.00 C ATOM 1433 C ILE A 88 5.246 -2.103 -2.260 1.00 0.00 C ATOM 1434 O ILE A 88 5.897 -2.088 -1.213 1.00 0.00 O ATOM 1435 CB ILE A 88 2.904 -2.008 -1.378 1.00 0.00 C ATOM 1436 CG1 ILE A 88 1.566 -2.751 -1.262 1.00 0.00 C ATOM 1437 CG2 ILE A 88 2.687 -0.587 -1.882 1.00 0.00 C ATOM 1438 CD1 ILE A 88 1.566 -3.840 -0.209 1.00 0.00 C ATOM 0 H ILE A 88 4.570 -4.373 -1.153 1.00 0.00 H new ATOM 0 HA ILE A 88 3.485 -2.727 -3.329 1.00 0.00 H new ATOM 0 HB ILE A 88 3.352 -1.957 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.780 -2.032 -1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.320 -3.191 -2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.002 -0.065 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.641 -0.061 -1.908 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.262 -0.618 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.588 -4.321 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.329 -4.580 -0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.781 -3.403 0.766 1.00 0.00 H new ATOM 1450 N SER A 89 5.680 -1.559 -3.397 1.00 0.00 N ATOM 1451 CA SER A 89 6.976 -0.891 -3.485 1.00 0.00 C ATOM 1452 C SER A 89 6.811 0.625 -3.536 1.00 0.00 C ATOM 1453 O SER A 89 5.850 1.135 -4.118 1.00 0.00 O ATOM 1454 CB SER A 89 7.741 -1.376 -4.720 1.00 0.00 C ATOM 1455 OG SER A 89 6.967 -1.218 -5.900 1.00 0.00 O ATOM 0 H SER A 89 5.152 -1.568 -4.270 1.00 0.00 H new ATOM 0 HA SER A 89 7.545 -1.143 -2.590 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.673 -0.818 -4.816 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.009 -2.425 -4.596 1.00 0.00 H new ATOM 0 HG SER A 89 7.480 -1.534 -6.673 1.00 0.00 H new ATOM 1461 N VAL A 90 7.755 1.340 -2.926 1.00 0.00 N ATOM 1462 CA VAL A 90 7.720 2.799 -2.900 1.00 0.00 C ATOM 1463 C VAL A 90 9.084 3.393 -3.255 1.00 0.00 C ATOM 1464 O VAL A 90 10.124 2.850 -2.879 1.00 0.00 O ATOM 1465 CB VAL A 90 7.259 3.328 -1.518 1.00 0.00 C ATOM 1466 CG1 VAL A 90 8.356 3.198 -0.469 1.00 0.00 C ATOM 1467 CG2 VAL A 90 6.783 4.770 -1.621 1.00 0.00 C ATOM 0 H VAL A 90 8.554 0.930 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 90 6.996 3.115 -3.651 1.00 0.00 H new ATOM 0 HB VAL A 90 6.421 2.709 -1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.994 3.580 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.632 2.149 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 90 9.228 3.772 -0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.465 5.119 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.598 5.397 -1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.945 4.828 -2.316 1.00 0.00 H new ATOM 1477 N PHE A 91 9.061 4.513 -3.978 1.00 0.00 N ATOM 1478 CA PHE A 91 10.282 5.203 -4.391 1.00 0.00 C ATOM 1479 C PHE A 91 10.066 6.716 -4.403 1.00 0.00 C ATOM 1480 O PHE A 91 8.935 7.187 -4.544 1.00 0.00 O ATOM 1481 CB PHE A 91 10.724 4.735 -5.779 1.00 0.00 C ATOM 1482 CG PHE A 91 11.931 3.846 -5.757 1.00 0.00 C ATOM 1483 CD1 PHE A 91 13.198 4.378 -5.579 1.00 0.00 C ATOM 1484 CD2 PHE A 91 11.799 2.477 -5.918 1.00 0.00 C ATOM 1485 CE1 PHE A 91 14.311 3.558 -5.561 1.00 0.00 C ATOM 1486 CE2 PHE A 91 12.908 1.653 -5.901 1.00 0.00 C ATOM 1487 CZ PHE A 91 14.165 2.196 -5.723 1.00 0.00 C ATOM 0 H PHE A 91 8.202 4.964 -4.292 1.00 0.00 H new ATOM 0 HA PHE A 91 11.064 4.962 -3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 91 9.900 4.202 -6.253 1.00 0.00 H new ATOM 0 HB3 PHE A 91 10.937 5.608 -6.397 1.00 0.00 H new ATOM 0 HD1 PHE A 91 13.317 5.444 -5.453 1.00 0.00 H new ATOM 0 HD2 PHE A 91 10.818 2.048 -6.059 1.00 0.00 H new ATOM 0 HE1 PHE A 91 15.294 3.983 -5.420 1.00 0.00 H new ATOM 0 HE2 PHE A 91 12.792 0.587 -6.027 1.00 0.00 H new ATOM 0 HZ PHE A 91 15.034 1.554 -5.711 1.00 0.00 H new ATOM 1497 N LEU A 92 11.155 7.470 -4.253 1.00 0.00 N ATOM 1498 CA LEU A 92 11.085 8.932 -4.244 1.00 0.00 C ATOM 1499 C LEU A 92 12.201 9.555 -5.084 1.00 0.00 C ATOM 1500 O LEU A 92 11.952 10.471 -5.869 1.00 0.00 O ATOM 1501 CB LEU A 92 11.143 9.472 -2.809 1.00 0.00 C ATOM 1502 CG LEU A 92 12.096 8.736 -1.863 1.00 0.00 C ATOM 1503 CD1 LEU A 92 12.620 9.682 -0.796 1.00 0.00 C ATOM 1504 CD2 LEU A 92 11.401 7.541 -1.226 1.00 0.00 C ATOM 0 H LEU A 92 12.096 7.093 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 92 10.130 9.213 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.435 10.521 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.139 9.436 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 92 12.943 8.369 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.296 9.143 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.156 10.504 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.784 10.079 -0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.094 7.031 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.535 7.883 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.075 6.852 -2.005 1.00 0.00 H new ATOM 1516 N LEU A 93 13.428 9.061 -4.920 1.00 0.00 N ATOM 1517 CA LEU A 93 14.560 9.586 -5.675 1.00 0.00 C ATOM 1518 C LEU A 93 15.536 8.473 -6.054 1.00 0.00 C ATOM 1519 O LEU A 93 15.580 8.045 -7.205 1.00 0.00 O ATOM 1520 CB LEU A 93 15.281 10.675 -4.878 1.00 0.00 C ATOM 1521 CG LEU A 93 14.946 12.108 -5.298 1.00 0.00 C ATOM 1522 CD1 LEU A 93 13.882 12.699 -4.386 1.00 0.00 C ATOM 1523 CD2 LEU A 93 16.200 12.970 -5.297 1.00 0.00 C ATOM 0 H LEU A 93 13.660 8.305 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 93 14.172 10.024 -6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 93 15.037 10.555 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 93 16.356 10.525 -4.976 1.00 0.00 H new ATOM 0 HG LEU A 93 14.548 12.086 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.658 13.718 -4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.977 12.094 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.248 12.709 -3.359 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.944 13.986 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.630 12.986 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 93 16.926 12.557 -5.997 1.00 0.00 H new ATOM 1535 N GLU A 94 16.322 8.013 -5.079 1.00 0.00 N ATOM 1536 CA GLU A 94 17.298 6.953 -5.321 1.00 0.00 C ATOM 1537 C GLU A 94 17.348 5.973 -4.150 1.00 0.00 C ATOM 1538 O GLU A 94 17.166 4.769 -4.334 1.00 0.00 O ATOM 1539 CB GLU A 94 18.684 7.555 -5.564 1.00 0.00 C ATOM 1540 CG GLU A 94 19.340 7.072 -6.846 1.00 0.00 C ATOM 1541 CD GLU A 94 20.642 7.790 -7.139 1.00 0.00 C ATOM 1542 OE1 GLU A 94 21.697 7.324 -6.660 1.00 0.00 O ATOM 1543 OE2 GLU A 94 20.606 8.821 -7.843 1.00 0.00 O ATOM 0 H GLU A 94 16.301 8.357 -4.119 1.00 0.00 H new ATOM 0 HA GLU A 94 16.987 6.404 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.599 8.641 -5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.330 7.311 -4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.528 6.001 -6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.653 7.218 -7.679 1.00 0.00 H new ATOM 1550 N LYS A 95 17.597 6.494 -2.948 1.00 0.00 N ATOM 1551 CA LYS A 95 17.670 5.660 -1.750 1.00 0.00 C ATOM 1552 C LYS A 95 17.458 6.491 -0.481 1.00 0.00 C ATOM 1553 O LYS A 95 18.336 6.568 0.381 1.00 0.00 O ATOM 1554 CB LYS A 95 19.017 4.928 -1.683 1.00 0.00 C ATOM 1555 CG LYS A 95 20.209 5.788 -2.079 1.00 0.00 C ATOM 1556 CD LYS A 95 21.128 6.049 -0.894 1.00 0.00 C ATOM 1557 CE LYS A 95 21.908 7.343 -1.065 1.00 0.00 C ATOM 1558 NZ LYS A 95 23.121 7.163 -1.916 1.00 0.00 N ATOM 0 H LYS A 95 17.751 7.488 -2.779 1.00 0.00 H new ATOM 0 HA LYS A 95 16.870 4.922 -1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 95 19.169 4.560 -0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 95 18.978 4.056 -2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 95 20.769 5.293 -2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 95 19.856 6.737 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 95 20.538 6.097 0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 95 21.823 5.217 -0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 95 21.262 8.098 -1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 95 22.206 7.718 -0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 23.621 8.071 -2.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 23.752 6.462 -1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 22.837 6.831 -2.860 1.00 0.00 H new ATOM 1572 N ALA A 96 16.280 7.103 -0.373 1.00 0.00 N ATOM 1573 CA ALA A 96 15.942 7.918 0.791 1.00 0.00 C ATOM 1574 C ALA A 96 14.840 7.254 1.617 1.00 0.00 C ATOM 1575 O ALA A 96 14.878 7.278 2.849 1.00 0.00 O ATOM 1576 CB ALA A 96 15.513 9.315 0.360 1.00 0.00 C ATOM 0 H ALA A 96 15.544 7.050 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 96 16.832 8.005 1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 96 15.265 9.907 1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 96 16.328 9.795 -0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 96 14.639 9.244 -0.287 1.00 0.00 H new ATOM 1582 N GLY A 97 13.862 6.663 0.926 1.00 0.00 N ATOM 1583 CA GLY A 97 12.760 5.996 1.601 1.00 0.00 C ATOM 1584 C GLY A 97 12.072 4.966 0.720 1.00 0.00 C ATOM 1585 O GLY A 97 10.863 4.761 0.833 1.00 0.00 O ATOM 0 H GLY A 97 13.816 6.636 -0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.133 5.508 2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.031 6.740 1.921 1.00 0.00 H new ATOM 1589 N GLU A 98 12.839 4.320 -0.160 1.00 0.00 N ATOM 1590 CA GLU A 98 12.287 3.312 -1.060 1.00 0.00 C ATOM 1591 C GLU A 98 12.320 1.931 -0.414 1.00 0.00 C ATOM 1592 O GLU A 98 13.389 1.403 -0.099 1.00 0.00 O ATOM 1593 CB GLU A 98 13.048 3.303 -2.396 1.00 0.00 C ATOM 1594 CG GLU A 98 14.533 2.960 -2.268 1.00 0.00 C ATOM 1595 CD GLU A 98 14.852 1.487 -2.499 1.00 0.00 C ATOM 1596 OE1 GLU A 98 13.957 0.731 -2.933 1.00 0.00 O ATOM 1597 OE2 GLU A 98 16.007 1.090 -2.242 1.00 0.00 O ATOM 0 H GLU A 98 13.841 4.478 -0.267 1.00 0.00 H new ATOM 0 HA GLU A 98 11.247 3.569 -1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.577 2.583 -3.065 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.952 4.283 -2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.097 3.560 -2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.876 3.244 -1.273 1.00 0.00 H new ATOM 1604 N ARG A 99 11.139 1.357 -0.200 1.00 0.00 N ATOM 1605 CA ARG A 99 11.036 0.042 0.420 1.00 0.00 C ATOM 1606 C ARG A 99 9.895 -0.779 -0.180 1.00 0.00 C ATOM 1607 O ARG A 99 8.932 -0.227 -0.717 1.00 0.00 O ATOM 1608 CB ARG A 99 10.847 0.186 1.931 1.00 0.00 C ATOM 1609 CG ARG A 99 12.081 -0.196 2.735 1.00 0.00 C ATOM 1610 CD ARG A 99 11.868 -1.491 3.503 1.00 0.00 C ATOM 1611 NE ARG A 99 13.033 -2.374 3.430 1.00 0.00 N ATOM 1612 CZ ARG A 99 13.271 -3.375 4.284 1.00 0.00 C ATOM 1613 NH1 ARG A 99 12.424 -3.637 5.278 1.00 0.00 N ATOM 1614 NH2 ARG A 99 14.360 -4.122 4.138 1.00 0.00 N ATOM 0 H ARG A 99 10.244 1.781 -0.446 1.00 0.00 H new ATOM 0 HA ARG A 99 11.966 -0.492 0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.579 1.218 2.159 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.010 -0.438 2.246 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.934 -0.306 2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.325 0.606 3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 99 11.653 -1.262 4.547 1.00 0.00 H new ATOM 0 HD3 ARG A 99 10.996 -2.009 3.104 1.00 0.00 H new ATOM 0 HE ARG A 99 13.706 -2.216 2.680 1.00 0.00 H new ATOM 0 HH11 ARG A 99 11.583 -3.071 5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 99 12.616 -4.403 5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 99 15.011 -3.931 3.376 1.00 0.00 H new ATOM 0 HH22 ARG A 99 14.545 -4.886 4.787 1.00 0.00 H new ATOM 1628 N LYS A 100 10.005 -2.103 -0.062 1.00 0.00 N ATOM 1629 CA LYS A 100 8.983 -3.019 -0.564 1.00 0.00 C ATOM 1630 C LYS A 100 8.439 -3.867 0.581 1.00 0.00 C ATOM 1631 O LYS A 100 9.208 -4.452 1.346 1.00 0.00 O ATOM 1632 CB LYS A 100 9.555 -3.925 -1.658 1.00 0.00 C ATOM 1633 CG LYS A 100 8.488 -4.688 -2.430 1.00 0.00 C ATOM 1634 CD LYS A 100 9.087 -5.829 -3.237 1.00 0.00 C ATOM 1635 CE LYS A 100 8.426 -5.954 -4.603 1.00 0.00 C ATOM 1636 NZ LYS A 100 9.268 -5.374 -5.687 1.00 0.00 N ATOM 0 H LYS A 100 10.799 -2.566 0.381 1.00 0.00 H new ATOM 0 HA LYS A 100 8.173 -2.430 -0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.134 -3.319 -2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 100 10.245 -4.637 -1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.748 -5.083 -1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.964 -4.005 -3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.157 -5.664 -3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.971 -6.764 -2.689 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.233 -7.005 -4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.460 -5.450 -4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.781 -5.480 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.431 -4.365 -5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.180 -5.872 -5.722 1.00 0.00 H new ATOM 1650 N ILE A 101 7.114 -3.921 0.706 1.00 0.00 N ATOM 1651 CA ILE A 101 6.482 -4.691 1.774 1.00 0.00 C ATOM 1652 C ILE A 101 5.740 -5.912 1.225 1.00 0.00 C ATOM 1653 O ILE A 101 4.615 -5.797 0.737 1.00 0.00 O ATOM 1654 CB ILE A 101 5.495 -3.821 2.583 1.00 0.00 C ATOM 1655 CG1 ILE A 101 6.160 -2.506 3.009 1.00 0.00 C ATOM 1656 CG2 ILE A 101 4.989 -4.582 3.800 1.00 0.00 C ATOM 1657 CD1 ILE A 101 5.331 -1.280 2.698 1.00 0.00 C ATOM 0 H ILE A 101 6.461 -3.443 0.085 1.00 0.00 H new ATOM 0 HA ILE A 101 7.283 -5.030 2.430 1.00 0.00 H new ATOM 0 HB ILE A 101 4.643 -3.584 1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 101 6.357 -2.539 4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.125 -2.418 2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.295 -3.954 4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 101 4.478 -5.489 3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.831 -4.849 4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.864 -0.388 3.027 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.155 -1.223 1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.376 -1.345 3.219 1.00 0.00 H new ATOM 1669 N PRO A 102 6.367 -7.104 1.308 1.00 0.00 N ATOM 1670 CA PRO A 102 5.777 -8.352 0.828 1.00 0.00 C ATOM 1671 C PRO A 102 4.940 -9.049 1.904 1.00 0.00 C ATOM 1672 O PRO A 102 5.320 -9.074 3.077 1.00 0.00 O ATOM 1673 CB PRO A 102 7.007 -9.181 0.484 1.00 0.00 C ATOM 1674 CG PRO A 102 8.038 -8.757 1.479 1.00 0.00 C ATOM 1675 CD PRO A 102 7.711 -7.332 1.872 1.00 0.00 C ATOM 0 HA PRO A 102 5.090 -8.201 -0.004 1.00 0.00 H new ATOM 0 HB2 PRO A 102 6.799 -10.248 0.559 1.00 0.00 H new ATOM 0 HB3 PRO A 102 7.340 -8.992 -0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 102 8.025 -9.411 2.351 1.00 0.00 H new ATOM 0 HG3 PRO A 102 9.038 -8.819 1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.716 -7.206 2.955 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.439 -6.629 1.466 1.00 0.00 H new ATOM 1683 N HIS A 103 3.802 -9.612 1.496 1.00 0.00 N ATOM 1684 CA HIS A 103 2.904 -10.306 2.418 1.00 0.00 C ATOM 1685 C HIS A 103 2.072 -11.370 1.691 1.00 0.00 C ATOM 1686 O HIS A 103 2.093 -11.455 0.463 1.00 0.00 O ATOM 1687 CB HIS A 103 1.971 -9.304 3.104 1.00 0.00 C ATOM 1688 CG HIS A 103 1.996 -9.377 4.601 1.00 0.00 C ATOM 1689 ND1 HIS A 103 2.366 -10.509 5.301 1.00 0.00 N ATOM 1690 CD2 HIS A 103 1.686 -8.447 5.532 1.00 0.00 C ATOM 1691 CE1 HIS A 103 2.283 -10.269 6.596 1.00 0.00 C ATOM 1692 NE2 HIS A 103 1.873 -9.025 6.763 1.00 0.00 N ATOM 0 H HIS A 103 3.480 -9.600 0.528 1.00 0.00 H new ATOM 0 HA HIS A 103 3.518 -10.804 3.168 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.246 -8.296 2.795 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.952 -9.476 2.759 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.353 -7.437 5.342 1.00 0.00 H new ATOM 0 HE1 HIS A 103 2.511 -10.970 7.385 1.00 0.00 H new ATOM 0 HE2 HIS A 103 1.720 -8.567 7.662 1.00 0.00 H new ATOM 1701 N ASP A 104 1.333 -12.173 2.463 1.00 0.00 N ATOM 1702 CA ASP A 104 0.482 -13.222 1.898 1.00 0.00 C ATOM 1703 C ASP A 104 -0.995 -12.921 2.165 1.00 0.00 C ATOM 1704 O ASP A 104 -1.332 -12.276 3.161 1.00 0.00 O ATOM 1705 CB ASP A 104 0.855 -14.590 2.485 1.00 0.00 C ATOM 1706 CG ASP A 104 0.177 -15.746 1.767 1.00 0.00 C ATOM 1707 OD1 ASP A 104 0.034 -15.680 0.527 1.00 0.00 O ATOM 1708 OD2 ASP A 104 -0.213 -16.718 2.449 1.00 0.00 O ATOM 0 H ASP A 104 1.308 -12.116 3.481 1.00 0.00 H new ATOM 0 HA ASP A 104 0.643 -13.247 0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.936 -14.720 2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.582 -14.614 3.540 1.00 0.00 H new ATOM 1713 N LEU A 105 -1.869 -13.385 1.270 1.00 0.00 N ATOM 1714 CA LEU A 105 -3.305 -13.157 1.413 1.00 0.00 C ATOM 1715 C LEU A 105 -4.077 -14.473 1.373 1.00 0.00 C ATOM 1716 O LEU A 105 -4.617 -14.858 0.335 1.00 0.00 O ATOM 1717 CB LEU A 105 -3.806 -12.215 0.311 1.00 0.00 C ATOM 1718 CG LEU A 105 -5.168 -11.567 0.574 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -5.202 -10.923 1.950 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -5.488 -10.540 -0.502 1.00 0.00 C ATOM 0 H LEU A 105 -1.607 -13.919 0.441 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.478 -12.692 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.068 -11.426 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.862 -12.773 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.928 -12.348 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.179 -10.469 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.021 -11.682 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.430 -10.156 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.460 -10.090 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.722 -9.764 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.512 -11.029 -1.476 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.133 -15.155 2.519 1.00 0.00 N ATOM 1733 CA ASN A 106 -4.848 -16.424 2.624 1.00 0.00 C ATOM 1734 C ASN A 106 -6.301 -16.194 3.039 1.00 0.00 C ATOM 1735 O ASN A 106 -6.748 -15.053 3.142 1.00 0.00 O ATOM 1736 CB ASN A 106 -4.144 -17.356 3.617 1.00 0.00 C ATOM 1737 CG ASN A 106 -3.943 -18.747 3.046 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -4.336 -19.741 3.654 1.00 0.00 O ATOM 1739 ND2 ASN A 106 -3.328 -18.824 1.868 1.00 0.00 N ATOM 0 H ASN A 106 -3.691 -14.848 3.386 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.846 -16.900 1.644 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.177 -16.932 3.889 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.732 -17.421 4.532 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -3.167 -19.734 1.435 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -3.018 -17.973 1.398 1.00 0.00 H new ATOM 1746 N PHE A 107 -7.037 -17.286 3.263 1.00 0.00 N ATOM 1747 CA PHE A 107 -8.450 -17.202 3.648 1.00 0.00 C ATOM 1748 C PHE A 107 -8.676 -17.662 5.091 1.00 0.00 C ATOM 1749 O PHE A 107 -7.800 -18.276 5.701 1.00 0.00 O ATOM 1750 CB PHE A 107 -9.317 -18.039 2.690 1.00 0.00 C ATOM 1751 CG PHE A 107 -8.669 -19.323 2.237 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -7.821 -19.336 1.139 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -8.906 -20.512 2.910 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -7.221 -20.510 0.723 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -8.307 -21.688 2.497 1.00 0.00 C ATOM 1756 CZ PHE A 107 -7.465 -21.687 1.404 1.00 0.00 C ATOM 0 H PHE A 107 -6.679 -18.238 3.185 1.00 0.00 H new ATOM 0 HA PHE A 107 -8.743 -16.154 3.581 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -10.260 -18.275 3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -9.557 -17.437 1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -7.627 -18.419 0.603 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -9.565 -20.520 3.765 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.563 -20.507 -0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -8.498 -22.608 3.030 1.00 0.00 H new ATOM 0 HZ PHE A 107 -6.997 -22.605 1.081 1.00 0.00 H new ATOM 1766 N LEU A 108 -9.870 -17.354 5.617 1.00 0.00 N ATOM 1767 CA LEU A 108 -10.260 -17.719 6.983 1.00 0.00 C ATOM 1768 C LEU A 108 -9.688 -16.734 8.008 1.00 0.00 C ATOM 1769 O LEU A 108 -8.864 -17.101 8.846 1.00 0.00 O ATOM 1770 CB LEU A 108 -9.823 -19.152 7.313 1.00 0.00 C ATOM 1771 CG LEU A 108 -10.865 -20.013 8.035 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -10.302 -21.399 8.312 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -11.310 -19.348 9.330 1.00 0.00 C ATOM 0 H LEU A 108 -10.591 -16.845 5.106 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.347 -17.669 7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.546 -19.651 6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.926 -19.106 7.930 1.00 0.00 H new ATOM 0 HG LEU A 108 -11.737 -20.114 7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.052 -22.001 8.825 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.035 -21.878 7.370 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.415 -21.313 8.939 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.050 -19.976 9.826 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.449 -19.215 9.985 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.750 -18.376 9.107 1.00 0.00 H new ATOM 1785 N GLN A 109 -10.151 -15.481 7.932 1.00 0.00 N ATOM 1786 CA GLN A 109 -9.716 -14.418 8.846 1.00 0.00 C ATOM 1787 C GLN A 109 -8.240 -14.062 8.655 1.00 0.00 C ATOM 1788 O GLN A 109 -7.378 -14.938 8.589 1.00 0.00 O ATOM 1789 CB GLN A 109 -9.970 -14.821 10.301 1.00 0.00 C ATOM 1790 CG GLN A 109 -11.405 -14.597 10.756 1.00 0.00 C ATOM 1791 CD GLN A 109 -11.690 -15.212 12.113 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -12.095 -14.521 13.046 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -11.479 -16.520 12.230 1.00 0.00 N ATOM 0 H GLN A 109 -10.834 -15.176 7.239 1.00 0.00 H new ATOM 0 HA GLN A 109 -10.305 -13.532 8.608 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -9.719 -15.874 10.426 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -9.300 -14.254 10.948 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -11.606 -13.527 10.797 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -12.086 -15.021 10.019 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.142 -17.056 11.430 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.654 -16.987 13.120 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.957 -12.759 8.581 1.00 0.00 N ATOM 1803 CA GLU A 110 -6.588 -12.281 8.413 1.00 0.00 C ATOM 1804 C GLU A 110 -6.442 -10.840 8.894 1.00 0.00 C ATOM 1805 O GLU A 110 -7.265 -9.980 8.574 1.00 0.00 O ATOM 1806 CB GLU A 110 -6.153 -12.375 6.949 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.676 -12.073 6.733 1.00 0.00 C ATOM 1808 CD GLU A 110 -4.236 -12.287 5.298 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -4.320 -13.435 4.814 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -3.803 -11.306 4.659 1.00 0.00 O ATOM 0 H GLU A 110 -8.658 -12.020 8.635 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.946 -12.920 9.019 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.369 -13.377 6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.748 -11.680 6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.475 -11.041 7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.080 -12.708 7.389 1.00 0.00 H new ATOM 1817 N SER A 111 -5.375 -10.591 9.650 1.00 0.00 N ATOM 1818 CA SER A 111 -5.078 -9.262 10.173 1.00 0.00 C ATOM 1819 C SER A 111 -3.617 -8.917 9.894 1.00 0.00 C ATOM 1820 O SER A 111 -2.783 -8.899 10.801 1.00 0.00 O ATOM 1821 CB SER A 111 -5.373 -9.202 11.676 1.00 0.00 C ATOM 1822 OG SER A 111 -5.880 -7.932 12.046 1.00 0.00 O ATOM 0 H SER A 111 -4.695 -11.303 9.916 1.00 0.00 H new ATOM 0 HA SER A 111 -5.714 -8.530 9.675 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.094 -9.976 11.939 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.462 -9.411 12.237 1.00 0.00 H new ATOM 0 HG SER A 111 -6.062 -7.920 13.009 1.00 0.00 H new ATOM 1828 N TYR A 112 -3.313 -8.656 8.623 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.952 -8.330 8.214 1.00 0.00 C ATOM 1830 C TYR A 112 -1.879 -6.910 7.670 1.00 0.00 C ATOM 1831 O TYR A 112 -2.530 -6.578 6.680 1.00 0.00 O ATOM 1832 CB TYR A 112 -1.468 -9.326 7.156 1.00 0.00 C ATOM 1833 CG TYR A 112 -0.999 -10.651 7.723 1.00 0.00 C ATOM 1834 CD1 TYR A 112 -0.199 -10.705 8.862 1.00 0.00 C ATOM 1835 CD2 TYR A 112 -1.357 -11.848 7.119 1.00 0.00 C ATOM 1836 CE1 TYR A 112 0.226 -11.915 9.377 1.00 0.00 C ATOM 1837 CE2 TYR A 112 -0.935 -13.060 7.628 1.00 0.00 C ATOM 1838 CZ TYR A 112 -0.144 -13.089 8.756 1.00 0.00 C ATOM 1839 OH TYR A 112 0.279 -14.296 9.265 1.00 0.00 O ATOM 0 H TYR A 112 -3.992 -8.665 7.862 1.00 0.00 H new ATOM 0 HA TYR A 112 -1.304 -8.397 9.088 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -2.277 -9.511 6.450 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.651 -8.874 6.594 1.00 0.00 H new ATOM 0 HD1 TYR A 112 0.094 -9.787 9.350 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.977 -11.831 6.235 1.00 0.00 H new ATOM 0 HE1 TYR A 112 0.845 -11.941 10.262 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -1.224 -13.981 7.144 1.00 0.00 H new ATOM 0 HH TYR A 112 -0.070 -15.025 8.711 1.00 0.00 H new ATOM 1849 N GLU A 113 -1.078 -6.079 8.326 1.00 0.00 N ATOM 1850 CA GLU A 113 -0.920 -4.690 7.911 1.00 0.00 C ATOM 1851 C GLU A 113 0.441 -4.135 8.335 1.00 0.00 C ATOM 1852 O GLU A 113 0.923 -4.411 9.435 1.00 0.00 O ATOM 1853 CB GLU A 113 -2.061 -3.844 8.485 1.00 0.00 C ATOM 1854 CG GLU A 113 -1.902 -3.493 9.959 1.00 0.00 C ATOM 1855 CD GLU A 113 -3.230 -3.265 10.658 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -4.112 -4.145 10.565 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -3.388 -2.204 11.300 1.00 0.00 O ATOM 0 H GLU A 113 -0.529 -6.341 9.145 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.963 -4.646 6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.138 -2.921 7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.999 -4.382 8.351 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.365 -4.297 10.463 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.290 -2.595 10.050 1.00 0.00 H new ATOM 1864 N VAL A 114 1.060 -3.358 7.443 1.00 0.00 N ATOM 1865 CA VAL A 114 2.372 -2.768 7.708 1.00 0.00 C ATOM 1866 C VAL A 114 2.318 -1.242 7.685 1.00 0.00 C ATOM 1867 O VAL A 114 1.481 -0.647 7.001 1.00 0.00 O ATOM 1868 CB VAL A 114 3.425 -3.246 6.683 1.00 0.00 C ATOM 1869 CG1 VAL A 114 4.830 -2.852 7.125 1.00 0.00 C ATOM 1870 CG2 VAL A 114 3.330 -4.749 6.478 1.00 0.00 C ATOM 0 H VAL A 114 0.672 -3.123 6.529 1.00 0.00 H new ATOM 0 HA VAL A 114 2.663 -3.100 8.705 1.00 0.00 H new ATOM 0 HB VAL A 114 3.218 -2.756 5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.554 -3.199 6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.893 -1.767 7.213 1.00 0.00 H new ATOM 0 HG13 VAL A 114 5.049 -3.307 8.091 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.080 -5.065 5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.505 -5.257 7.426 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.337 -5.004 6.108 1.00 0.00 H new ATOM 1880 N GLU A 115 3.228 -0.619 8.434 1.00 0.00 N ATOM 1881 CA GLU A 115 3.306 0.835 8.511 1.00 0.00 C ATOM 1882 C GLU A 115 4.747 1.320 8.355 1.00 0.00 C ATOM 1883 O GLU A 115 5.574 1.134 9.252 1.00 0.00 O ATOM 1884 CB GLU A 115 2.733 1.324 9.845 1.00 0.00 C ATOM 1885 CG GLU A 115 1.447 2.119 9.697 1.00 0.00 C ATOM 1886 CD GLU A 115 1.701 3.596 9.461 1.00 0.00 C ATOM 1887 OE1 GLU A 115 1.938 3.979 8.299 1.00 0.00 O ATOM 1888 OE2 GLU A 115 1.661 4.368 10.439 1.00 0.00 O ATOM 0 H GLU A 115 3.925 -1.105 8.999 1.00 0.00 H new ATOM 0 HA GLU A 115 2.717 1.248 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.547 0.464 10.489 1.00 0.00 H new ATOM 0 HB3 GLU A 115 3.478 1.942 10.346 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.868 1.716 8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.843 1.997 10.596 1.00 0.00 H new ATOM 1895 N HIS A 116 5.040 1.941 7.211 1.00 0.00 N ATOM 1896 CA HIS A 116 6.380 2.461 6.937 1.00 0.00 C ATOM 1897 C HIS A 116 6.374 3.990 6.868 1.00 0.00 C ATOM 1898 O HIS A 116 5.357 4.597 6.528 1.00 0.00 O ATOM 1899 CB HIS A 116 6.921 1.879 5.630 1.00 0.00 C ATOM 1900 CG HIS A 116 7.897 0.763 5.839 1.00 0.00 C ATOM 1901 ND1 HIS A 116 7.699 -0.567 5.989 1.00 0.00 N flip ATOM 1902 CD2 HIS A 116 9.258 0.959 5.920 1.00 0.00 C flip ATOM 1903 CE1 HIS A 116 8.933 -1.145 6.159 1.00 0.00 C flip ATOM 1904 NE2 HIS A 116 9.856 -0.202 6.111 1.00 0.00 N flip ATOM 0 H HIS A 116 4.367 2.096 6.460 1.00 0.00 H new ATOM 0 HA HIS A 116 7.031 2.158 7.757 1.00 0.00 H new ATOM 0 HB2 HIS A 116 6.087 1.516 5.029 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.403 2.672 5.059 1.00 0.00 H new ATOM 0 HD1 HIS A 116 6.801 -1.050 5.978 1.00 0.00 H new ATOM 0 HD2 HIS A 116 9.758 1.913 5.840 1.00 0.00 H new ATOM 0 HE1 HIS A 116 9.118 -2.199 6.308 1.00 0.00 H new ATOM 1913 N VAL A 117 7.511 4.605 7.202 1.00 0.00 N ATOM 1914 CA VAL A 117 7.636 6.064 7.188 1.00 0.00 C ATOM 1915 C VAL A 117 8.852 6.525 6.374 1.00 0.00 C ATOM 1916 O VAL A 117 9.848 5.807 6.269 1.00 0.00 O ATOM 1917 CB VAL A 117 7.740 6.625 8.625 1.00 0.00 C ATOM 1918 CG1 VAL A 117 9.019 6.151 9.307 1.00 0.00 C ATOM 1919 CG2 VAL A 117 7.664 8.145 8.614 1.00 0.00 C ATOM 0 H VAL A 117 8.359 4.114 7.486 1.00 0.00 H new ATOM 0 HA VAL A 117 6.735 6.451 6.713 1.00 0.00 H new ATOM 0 HB VAL A 117 6.895 6.244 9.198 1.00 0.00 H new ATOM 0 HG11 VAL A 117 9.066 6.560 10.316 1.00 0.00 H new ATOM 0 HG12 VAL A 117 9.023 5.062 9.357 1.00 0.00 H new ATOM 0 HG13 VAL A 117 9.883 6.491 8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 117 7.739 8.520 9.635 1.00 0.00 H new ATOM 0 HG22 VAL A 117 8.484 8.546 8.019 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.714 8.459 8.181 1.00 0.00 H new ATOM 1929 N ILE A 118 8.755 7.732 5.804 1.00 0.00 N ATOM 1930 CA ILE A 118 9.834 8.307 4.997 1.00 0.00 C ATOM 1931 C ILE A 118 9.972 9.811 5.253 1.00 0.00 C ATOM 1932 O ILE A 118 9.001 10.559 5.138 1.00 0.00 O ATOM 1933 CB ILE A 118 9.591 8.086 3.487 1.00 0.00 C ATOM 1934 CG1 ILE A 118 9.307 6.608 3.191 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.785 8.574 2.678 1.00 0.00 C ATOM 1936 CD1 ILE A 118 7.857 6.214 3.389 1.00 0.00 C ATOM 0 H ILE A 118 7.934 8.331 5.889 1.00 0.00 H new ATOM 0 HA ILE A 118 10.751 7.798 5.293 1.00 0.00 H new ATOM 0 HB ILE A 118 8.715 8.665 3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.596 6.391 2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.933 5.991 3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.597 8.411 1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.937 9.638 2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.677 8.023 2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.733 5.155 3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.568 6.399 4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.226 6.804 2.725 1.00 0.00 H new ATOM 1948 N GLN A 119 11.181 10.255 5.595 1.00 0.00 N ATOM 1949 CA GLN A 119 11.423 11.672 5.858 1.00 0.00 C ATOM 1950 C GLN A 119 12.590 12.195 5.026 1.00 0.00 C ATOM 1951 O GLN A 119 13.725 11.744 5.180 1.00 0.00 O ATOM 1952 CB GLN A 119 11.696 11.896 7.348 1.00 0.00 C ATOM 1953 CG GLN A 119 10.483 12.402 8.114 1.00 0.00 C ATOM 1954 CD GLN A 119 10.318 11.735 9.468 1.00 0.00 C ATOM 1955 OE1 GLN A 119 10.757 10.603 9.673 1.00 0.00 O ATOM 1956 NE2 GLN A 119 9.679 12.433 10.402 1.00 0.00 N ATOM 0 H GLN A 119 12.002 9.659 5.696 1.00 0.00 H new ATOM 0 HA GLN A 119 10.528 12.225 5.573 1.00 0.00 H new ATOM 0 HB2 GLN A 119 12.033 10.960 7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 119 12.510 12.612 7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 119 10.572 13.479 8.254 1.00 0.00 H new ATOM 0 HG3 GLN A 119 9.586 12.231 7.519 1.00 0.00 H new ATOM 0 HE21 GLN A 119 9.331 13.368 10.191 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.537 12.033 11.330 1.00 0.00 H new ATOM 1965 N ILE A 120 12.301 13.153 4.144 1.00 0.00 N ATOM 1966 CA ILE A 120 13.324 13.745 3.287 1.00 0.00 C ATOM 1967 C ILE A 120 13.280 15.275 3.342 1.00 0.00 C ATOM 1968 O ILE A 120 13.041 15.937 2.329 1.00 0.00 O ATOM 1969 CB ILE A 120 13.176 13.285 1.816 1.00 0.00 C ATOM 1970 CG1 ILE A 120 12.681 11.836 1.745 1.00 0.00 C ATOM 1971 CG2 ILE A 120 14.498 13.439 1.076 1.00 0.00 C ATOM 1972 CD1 ILE A 120 11.202 11.724 1.438 1.00 0.00 C ATOM 0 H ILE A 120 11.365 13.534 4.006 1.00 0.00 H new ATOM 0 HA ILE A 120 14.285 13.400 3.668 1.00 0.00 H new ATOM 0 HB ILE A 120 12.433 13.919 1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 120 13.245 11.303 0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 120 12.887 11.342 2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 120 14.377 13.111 0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 120 14.804 14.485 1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 120 15.260 12.831 1.563 1.00 0.00 H new ATOM 0 HD11 ILE A 120 10.916 10.673 1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 120 10.630 12.229 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 120 10.994 12.190 0.475 1.00 0.00 H new ATOM 1984 N PRO A 121 13.511 15.864 4.532 1.00 0.00 N ATOM 1985 CA PRO A 121 13.498 17.315 4.711 1.00 0.00 C ATOM 1986 C PRO A 121 14.862 17.965 4.444 1.00 0.00 C ATOM 1987 O PRO A 121 15.168 19.022 4.999 1.00 0.00 O ATOM 1988 CB PRO A 121 13.120 17.447 6.182 1.00 0.00 C ATOM 1989 CG PRO A 121 13.768 16.271 6.835 1.00 0.00 C ATOM 1990 CD PRO A 121 13.799 15.167 5.804 1.00 0.00 C ATOM 0 HA PRO A 121 12.823 17.816 4.017 1.00 0.00 H new ATOM 0 HB2 PRO A 121 13.481 18.385 6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 121 12.039 17.432 6.318 1.00 0.00 H new ATOM 0 HG2 PRO A 121 14.776 16.519 7.167 1.00 0.00 H new ATOM 0 HG3 PRO A 121 13.209 15.961 7.718 1.00 0.00 H new ATOM 0 HD2 PRO A 121 14.769 14.671 5.778 1.00 0.00 H new ATOM 0 HD3 PRO A 121 13.055 14.400 6.017 1.00 0.00 H new