USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 710 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -148:sc= -0.441 (180deg=-1.89!) USER MOD Single : A 14 ASN : amide:sc= -2.65! C(o=-2.6!,f=-2.7!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.0131 F(o=-1.4,f=-0.013) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 60:sc= 1.15 USER MOD Single : A 21 GLN : amide:sc= 0.144 K(o=0.14,f=-1.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -4.07! C(o=-4.7!,f=-4.1!) USER MOD Single : A 30 ASN : amide:sc= -3.32! C(o=-3.3!,f=-4.3!) USER MOD Single : A 31 HIS : no HE2:sc= -4.65! C(o=-4.7!,f=-6.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 153:sc= -0.233 (180deg=-1.35!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc=-0.00348 X(o=-0.0035,f=-0.017) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.57 F(o=-1.3,f=-0.57) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -7.95! C(o=-8!,f=-16!) USER MOD Single : A 53 LYS NZ :NH3+ -134:sc= 0.83 (180deg=-0.807!) USER MOD Single : A 55 HIS : no HD1:sc= -7.04! C(o=-7!,f=-8.4!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 152:sc= -0.205 (180deg=-1.05) USER MOD Single : A 63 GLN : amide:sc= -1.02 X(o=-1,f=-1) USER MOD Single : A 64 GLN : amide:sc= -2.61 X(o=-2.6,f=-2.9!) USER MOD Single : A 66 GLN : amide:sc= -0.0177 X(o=-0.018,f=-0.16) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -3.24! C(o=-4!,f=-3.2!) USER MOD Single : A 76 LYS NZ :NH3+ 153:sc= -0.309 (180deg=-0.954) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.199 USER MOD Single : A 81 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.9!) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.752! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.263 -5.078 -5.964 1.00 0.00 N ATOM 60 CA GLY A 7 -11.339 -6.199 -5.954 1.00 0.00 C ATOM 61 C GLY A 7 -10.063 -5.850 -5.184 1.00 0.00 C ATOM 62 O GLY A 7 -10.116 -5.541 -3.995 1.00 0.00 O ATOM 0 HA2 GLY A 7 -11.818 -7.066 -5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.086 -6.476 -6.977 1.00 0.00 H new ATOM 66 N PRO A 8 -8.917 -5.913 -5.913 1.00 0.00 N ATOM 67 CA PRO A 8 -7.629 -5.608 -5.312 1.00 0.00 C ATOM 68 C PRO A 8 -7.461 -4.100 -5.113 1.00 0.00 C ATOM 69 O PRO A 8 -8.023 -3.305 -5.864 1.00 0.00 O ATOM 70 CB PRO A 8 -6.601 -6.200 -6.262 1.00 0.00 C ATOM 71 CG PRO A 8 -7.324 -6.405 -7.584 1.00 0.00 C ATOM 72 CD PRO A 8 -8.816 -6.275 -7.324 1.00 0.00 C ATOM 0 HA PRO A 8 -7.519 -6.032 -4.314 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.749 -5.530 -6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.213 -7.144 -5.879 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.998 -5.666 -8.316 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.093 -7.387 -7.998 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.264 -5.513 -7.961 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.337 -7.210 -7.531 1.00 0.00 H new ATOM 80 N LYS A 9 -6.685 -3.753 -4.097 1.00 0.00 N ATOM 81 CA LYS A 9 -6.435 -2.355 -3.789 1.00 0.00 C ATOM 82 C LYS A 9 -4.935 -2.076 -3.889 1.00 0.00 C ATOM 83 O LYS A 9 -4.120 -2.865 -3.413 1.00 0.00 O ATOM 84 CB LYS A 9 -7.041 -1.989 -2.433 1.00 0.00 C ATOM 85 CG LYS A 9 -8.428 -1.365 -2.602 1.00 0.00 C ATOM 86 CD LYS A 9 -9.407 -1.917 -1.564 1.00 0.00 C ATOM 87 CE LYS A 9 -9.070 -1.403 -0.163 1.00 0.00 C ATOM 88 NZ LYS A 9 -10.193 -1.656 0.766 1.00 0.00 N ATOM 0 H LYS A 9 -6.221 -4.416 -3.476 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.928 -1.710 -4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.113 -2.881 -1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.385 -1.290 -1.914 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.358 -0.282 -2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.803 -1.569 -3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.424 -1.625 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.375 -3.007 -1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.169 -1.894 0.204 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.857 -0.335 -0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.948 -1.301 1.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.044 -1.167 0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.378 -2.678 0.817 1.00 0.00 H new ATOM 102 N LYS A 10 -4.614 -0.950 -4.510 1.00 0.00 N ATOM 103 CA LYS A 10 -3.226 -0.557 -4.678 1.00 0.00 C ATOM 104 C LYS A 10 -2.453 -0.871 -3.396 1.00 0.00 C ATOM 105 O LYS A 10 -2.522 -0.119 -2.425 1.00 0.00 O ATOM 106 CB LYS A 10 -3.132 0.908 -5.109 1.00 0.00 C ATOM 107 CG LYS A 10 -1.873 1.156 -5.942 1.00 0.00 C ATOM 108 CD LYS A 10 -2.221 1.814 -7.279 1.00 0.00 C ATOM 109 CE LYS A 10 -1.461 1.151 -8.430 1.00 0.00 C ATOM 110 NZ LYS A 10 -2.170 1.367 -9.711 1.00 0.00 N ATOM 0 H LYS A 10 -5.292 -0.297 -4.903 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.762 -1.132 -5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.015 1.177 -5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.121 1.550 -4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.185 1.794 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.359 0.212 -6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.294 1.740 -7.457 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.977 2.876 -7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.453 1.561 -8.492 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.360 0.083 -8.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.641 0.911 -10.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.123 0.955 -9.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.244 2.387 -9.899 1.00 0.00 H new ATOM 124 N PRO A 11 -1.715 -2.013 -3.435 1.00 0.00 N ATOM 125 CA PRO A 11 -0.930 -2.436 -2.288 1.00 0.00 C ATOM 126 C PRO A 11 0.333 -1.584 -2.144 1.00 0.00 C ATOM 127 O PRO A 11 0.633 -0.761 -3.007 1.00 0.00 O ATOM 128 CB PRO A 11 -0.630 -3.905 -2.537 1.00 0.00 C ATOM 129 CG PRO A 11 -0.856 -4.131 -4.023 1.00 0.00 C ATOM 130 CD PRO A 11 -1.609 -2.928 -4.567 1.00 0.00 C ATOM 0 HA PRO A 11 -1.460 -2.306 -1.344 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.395 -4.147 -2.257 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.283 -4.543 -1.941 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.096 -4.252 -4.540 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.426 -5.045 -4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.074 -2.469 -5.398 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.593 -3.212 -4.940 1.00 0.00 H new ATOM 138 N PRO A 12 1.058 -1.817 -1.017 1.00 0.00 N ATOM 139 CA PRO A 12 2.281 -1.081 -0.748 1.00 0.00 C ATOM 140 C PRO A 12 3.427 -1.581 -1.630 1.00 0.00 C ATOM 141 O PRO A 12 3.444 -2.743 -2.033 1.00 0.00 O ATOM 142 CB PRO A 12 2.543 -1.280 0.736 1.00 0.00 C ATOM 143 CG PRO A 12 1.723 -2.493 1.144 1.00 0.00 C ATOM 144 CD PRO A 12 0.733 -2.784 0.028 1.00 0.00 C ATOM 0 HA PRO A 12 2.194 -0.020 -0.984 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.604 -1.443 0.927 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.248 -0.399 1.306 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.371 -3.353 1.313 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.198 -2.301 2.080 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.834 -3.807 -0.334 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.295 -2.667 0.370 1.00 0.00 H new ATOM 152 N MET A 13 4.358 -0.678 -1.905 1.00 0.00 N ATOM 153 CA MET A 13 5.504 -1.014 -2.732 1.00 0.00 C ATOM 154 C MET A 13 6.766 -0.308 -2.231 1.00 0.00 C ATOM 155 O MET A 13 7.331 0.532 -2.930 1.00 0.00 O ATOM 156 CB MET A 13 5.229 -0.601 -4.179 1.00 0.00 C ATOM 157 CG MET A 13 4.816 0.871 -4.260 1.00 0.00 C ATOM 158 SD MET A 13 4.801 1.407 -5.963 1.00 0.00 S ATOM 159 CE MET A 13 6.513 1.137 -6.388 1.00 0.00 C ATOM 0 H MET A 13 4.341 0.285 -1.570 1.00 0.00 H new ATOM 0 HA MET A 13 5.665 -2.091 -2.677 1.00 0.00 H new ATOM 0 HB2 MET A 13 6.121 -0.766 -4.784 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.440 -1.227 -4.596 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.828 1.005 -3.819 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.508 1.484 -3.683 1.00 0.00 H new ATOM 0 HE1 MET A 13 6.827 1.878 -7.123 1.00 0.00 H new ATOM 0 HE2 MET A 13 7.129 1.230 -5.494 1.00 0.00 H new ATOM 0 HE3 MET A 13 6.631 0.138 -6.807 1.00 0.00 H new ATOM 169 N ASN A 14 7.172 -0.676 -1.025 1.00 0.00 N ATOM 170 CA ASN A 14 8.357 -0.089 -0.422 1.00 0.00 C ATOM 171 C ASN A 14 8.457 -0.537 1.037 1.00 0.00 C ATOM 172 O ASN A 14 9.485 -1.064 1.459 1.00 0.00 O ATOM 173 CB ASN A 14 8.286 1.439 -0.443 1.00 0.00 C ATOM 174 CG ASN A 14 9.062 2.007 -1.634 1.00 0.00 C ATOM 175 OD1 ASN A 14 10.185 1.624 -1.916 1.00 0.00 O ATOM 176 ND2 ASN A 14 8.402 2.941 -2.313 1.00 0.00 N ATOM 0 H ASN A 14 6.701 -1.374 -0.449 1.00 0.00 H new ATOM 0 HA ASN A 14 9.224 -0.418 -0.994 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.245 1.758 -0.497 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.694 1.839 0.486 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.834 3.383 -3.124 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.463 3.215 -2.023 1.00 0.00 H new ATOM 183 N GLY A 15 7.375 -0.311 1.768 1.00 0.00 N ATOM 184 CA GLY A 15 7.328 -0.685 3.171 1.00 0.00 C ATOM 185 C GLY A 15 6.705 0.429 4.015 1.00 0.00 C ATOM 186 O GLY A 15 5.911 0.160 4.915 1.00 0.00 O ATOM 0 H GLY A 15 6.524 0.127 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.749 -1.601 3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.336 -0.897 3.529 1.00 0.00 H new ATOM 190 N TYR A 16 7.089 1.656 3.694 1.00 0.00 N ATOM 191 CA TYR A 16 6.578 2.811 4.411 1.00 0.00 C ATOM 192 C TYR A 16 5.090 3.020 4.125 1.00 0.00 C ATOM 193 O TYR A 16 4.321 3.351 5.026 1.00 0.00 O ATOM 194 CB TYR A 16 7.361 4.015 3.883 1.00 0.00 C ATOM 195 CG TYR A 16 6.772 5.367 4.291 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.476 5.620 5.615 1.00 0.00 C ATOM 197 CD2 TYR A 16 6.537 6.334 3.335 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.922 6.893 5.999 1.00 0.00 C ATOM 199 CE2 TYR A 16 5.983 7.607 3.718 1.00 0.00 C ATOM 200 CZ TYR A 16 5.703 7.823 5.031 1.00 0.00 C ATOM 201 OH TYR A 16 5.180 9.025 5.394 1.00 0.00 O ATOM 0 H TYR A 16 7.748 1.875 2.947 1.00 0.00 H new ATOM 0 HA TYR A 16 6.693 2.677 5.487 1.00 0.00 H new ATOM 0 HB2 TYR A 16 8.388 3.954 4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.401 3.961 2.795 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.660 4.863 6.363 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.769 6.136 2.299 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.686 7.104 7.032 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.794 8.372 2.980 1.00 0.00 H new ATOM 0 HH TYR A 16 5.079 9.591 4.600 1.00 0.00 H new ATOM 211 N GLN A 17 4.728 2.818 2.866 1.00 0.00 N ATOM 212 CA GLN A 17 3.345 2.981 2.450 1.00 0.00 C ATOM 213 C GLN A 17 2.469 1.900 3.086 1.00 0.00 C ATOM 214 O GLN A 17 1.266 2.092 3.258 1.00 0.00 O ATOM 215 CB GLN A 17 3.226 2.956 0.925 1.00 0.00 C ATOM 216 CG GLN A 17 4.215 3.930 0.281 1.00 0.00 C ATOM 217 CD GLN A 17 4.039 3.967 -1.238 1.00 0.00 C ATOM 218 OE1 GLN A 17 4.406 2.847 -1.853 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 3.598 4.948 -1.814 1.00 0.00 N flip ATOM 0 H GLN A 17 5.368 2.543 2.121 1.00 0.00 H new ATOM 0 HA GLN A 17 2.994 3.954 2.794 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.414 1.947 0.559 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.209 3.218 0.632 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.067 4.929 0.692 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.235 3.633 0.525 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.335 5.777 -1.281 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.493 4.939 -2.828 1.00 0.00 H new ATOM 228 N LYS A 18 3.106 0.786 3.418 1.00 0.00 N ATOM 229 CA LYS A 18 2.399 -0.325 4.031 1.00 0.00 C ATOM 230 C LYS A 18 1.943 0.078 5.435 1.00 0.00 C ATOM 231 O LYS A 18 0.747 0.096 5.722 1.00 0.00 O ATOM 232 CB LYS A 18 3.261 -1.589 4.004 1.00 0.00 C ATOM 233 CG LYS A 18 2.873 -2.543 5.135 1.00 0.00 C ATOM 234 CD LYS A 18 1.395 -2.929 5.044 1.00 0.00 C ATOM 235 CE LYS A 18 1.235 -4.429 4.791 1.00 0.00 C ATOM 236 NZ LYS A 18 0.254 -5.012 5.734 1.00 0.00 N ATOM 0 H LYS A 18 4.104 0.630 3.274 1.00 0.00 H new ATOM 0 HA LYS A 18 1.502 -0.566 3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.145 -2.092 3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.313 -1.318 4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.490 -3.440 5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.071 -2.071 6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.887 -2.656 5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.918 -2.368 4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.907 -4.598 3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.198 -4.928 4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.157 -6.031 5.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.582 -4.867 6.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.668 -4.548 5.607 1.00 0.00 H new ATOM 250 N PHE A 19 2.921 0.392 6.272 1.00 0.00 N ATOM 251 CA PHE A 19 2.635 0.793 7.639 1.00 0.00 C ATOM 252 C PHE A 19 1.657 1.969 7.672 1.00 0.00 C ATOM 253 O PHE A 19 0.768 2.019 8.521 1.00 0.00 O ATOM 254 CB PHE A 19 3.962 1.231 8.263 1.00 0.00 C ATOM 255 CG PHE A 19 3.805 2.144 9.481 1.00 0.00 C ATOM 256 CD1 PHE A 19 3.376 1.630 10.665 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.095 3.469 9.380 1.00 0.00 C ATOM 258 CE1 PHE A 19 3.230 2.477 11.796 1.00 0.00 C ATOM 259 CE2 PHE A 19 3.949 4.316 10.511 1.00 0.00 C ATOM 260 CZ PHE A 19 3.520 3.802 11.694 1.00 0.00 C ATOM 0 H PHE A 19 3.912 0.377 6.030 1.00 0.00 H new ATOM 0 HA PHE A 19 2.183 -0.036 8.183 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.524 0.344 8.556 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.554 1.748 7.508 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.146 0.578 10.745 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.436 3.877 8.440 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.889 2.069 12.736 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.179 5.368 10.431 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.409 4.446 12.554 1.00 0.00 H new ATOM 270 N SER A 20 1.853 2.887 6.737 1.00 0.00 N ATOM 271 CA SER A 20 0.999 4.060 6.648 1.00 0.00 C ATOM 272 C SER A 20 -0.458 3.633 6.460 1.00 0.00 C ATOM 273 O SER A 20 -1.326 4.012 7.245 1.00 0.00 O ATOM 274 CB SER A 20 1.436 4.973 5.501 1.00 0.00 C ATOM 275 OG SER A 20 2.797 5.378 5.630 1.00 0.00 O ATOM 0 H SER A 20 2.591 2.843 6.034 1.00 0.00 H new ATOM 0 HA SER A 20 1.090 4.621 7.578 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.301 4.454 4.552 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.796 5.855 5.476 1.00 0.00 H new ATOM 0 HG SER A 20 3.375 4.587 5.629 1.00 0.00 H new ATOM 281 N GLN A 21 -0.682 2.849 5.416 1.00 0.00 N ATOM 282 CA GLN A 21 -2.019 2.366 5.115 1.00 0.00 C ATOM 283 C GLN A 21 -2.668 1.784 6.372 1.00 0.00 C ATOM 284 O GLN A 21 -3.884 1.865 6.541 1.00 0.00 O ATOM 285 CB GLN A 21 -1.988 1.334 3.986 1.00 0.00 C ATOM 286 CG GLN A 21 -2.402 1.965 2.655 1.00 0.00 C ATOM 287 CD GLN A 21 -2.047 1.051 1.481 1.00 0.00 C ATOM 288 OE1 GLN A 21 -1.090 0.295 1.516 1.00 0.00 O ATOM 289 NE2 GLN A 21 -2.870 1.161 0.441 1.00 0.00 N ATOM 0 H GLN A 21 0.040 2.536 4.767 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.621 3.209 4.776 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.985 0.916 3.898 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.658 0.508 4.225 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.475 2.159 2.658 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.905 2.927 2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.653 1.814 0.477 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.718 0.592 -0.392 1.00 0.00 H new ATOM 298 N GLU A 22 -1.829 1.211 7.222 1.00 0.00 N ATOM 299 CA GLU A 22 -2.306 0.616 8.459 1.00 0.00 C ATOM 300 C GLU A 22 -2.867 1.696 9.386 1.00 0.00 C ATOM 301 O GLU A 22 -3.900 1.497 10.023 1.00 0.00 O ATOM 302 CB GLU A 22 -1.195 -0.176 9.150 1.00 0.00 C ATOM 303 CG GLU A 22 -1.756 -1.423 9.837 1.00 0.00 C ATOM 304 CD GLU A 22 -0.990 -2.677 9.410 1.00 0.00 C ATOM 305 OE1 GLU A 22 -1.022 -2.975 8.197 1.00 0.00 O ATOM 306 OE2 GLU A 22 -0.390 -3.308 10.307 1.00 0.00 O ATOM 0 H GLU A 22 -0.821 1.146 7.079 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.109 -0.081 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.442 -0.468 8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.697 0.456 9.885 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.694 -1.305 10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.811 -1.535 9.589 1.00 0.00 H new ATOM 313 N LEU A 23 -2.161 2.817 9.432 1.00 0.00 N ATOM 314 CA LEU A 23 -2.576 3.929 10.270 1.00 0.00 C ATOM 315 C LEU A 23 -3.812 4.591 9.657 1.00 0.00 C ATOM 316 O LEU A 23 -4.609 5.202 10.366 1.00 0.00 O ATOM 317 CB LEU A 23 -1.410 4.893 10.496 1.00 0.00 C ATOM 318 CG LEU A 23 -0.257 4.362 11.350 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.091 4.852 10.817 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.455 4.722 12.824 1.00 0.00 C ATOM 0 H LEU A 23 -1.304 2.979 8.902 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.863 3.574 11.260 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.012 5.184 9.524 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.798 5.797 10.966 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.255 3.274 11.282 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.894 4.460 11.442 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.226 4.504 9.793 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.115 5.942 10.836 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.378 4.333 13.409 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.499 5.806 12.931 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.386 4.284 13.184 1.00 0.00 H new ATOM 332 N LEU A 24 -3.931 4.447 8.345 1.00 0.00 N ATOM 333 CA LEU A 24 -5.056 5.024 7.628 1.00 0.00 C ATOM 334 C LEU A 24 -6.289 4.139 7.826 1.00 0.00 C ATOM 335 O LEU A 24 -7.419 4.621 7.766 1.00 0.00 O ATOM 336 CB LEU A 24 -4.694 5.255 6.160 1.00 0.00 C ATOM 337 CG LEU A 24 -3.671 6.359 5.887 1.00 0.00 C ATOM 338 CD1 LEU A 24 -3.636 6.720 4.401 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.935 7.582 6.768 1.00 0.00 C ATOM 0 H LEU A 24 -3.267 3.939 7.760 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.301 6.007 8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.309 4.321 5.750 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.607 5.490 5.614 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.683 5.981 6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.901 7.507 4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.363 5.840 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.620 7.071 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.193 8.352 6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.932 7.971 6.561 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.868 7.296 7.818 1.00 0.00 H new ATOM 351 N SER A 25 -6.029 2.861 8.058 1.00 0.00 N ATOM 352 CA SER A 25 -7.103 1.904 8.264 1.00 0.00 C ATOM 353 C SER A 25 -7.362 1.724 9.761 1.00 0.00 C ATOM 354 O SER A 25 -8.438 1.280 10.160 1.00 0.00 O ATOM 355 CB SER A 25 -6.775 0.558 7.616 1.00 0.00 C ATOM 356 OG SER A 25 -7.925 -0.050 7.036 1.00 0.00 O ATOM 0 H SER A 25 -5.090 2.466 8.108 1.00 0.00 H new ATOM 0 HA SER A 25 -8.004 2.294 7.790 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.015 0.701 6.848 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.350 -0.111 8.365 1.00 0.00 H new ATOM 0 HG SER A 25 -7.673 -0.906 6.631 1.00 0.00 H new ATOM 362 N ASN A 26 -6.358 2.077 10.550 1.00 0.00 N ATOM 363 CA ASN A 26 -6.463 1.959 11.994 1.00 0.00 C ATOM 364 C ASN A 26 -7.331 3.100 12.532 1.00 0.00 C ATOM 365 O ASN A 26 -8.375 2.858 13.136 1.00 0.00 O ATOM 366 CB ASN A 26 -5.088 2.058 12.657 1.00 0.00 C ATOM 367 CG ASN A 26 -4.295 0.764 12.470 1.00 0.00 C ATOM 368 OD1 ASN A 26 -2.992 0.950 12.278 1.00 0.00 O flip ATOM 369 ND2 ASN A 26 -4.830 -0.332 12.497 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.467 2.445 10.216 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.903 0.988 12.222 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.534 2.893 12.230 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.207 2.265 13.720 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.836 -0.405 12.649 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.271 -1.176 12.368 1.00 0.00 H new ATOM 376 N GLY A 27 -6.865 4.317 12.295 1.00 0.00 N ATOM 377 CA GLY A 27 -7.585 5.495 12.748 1.00 0.00 C ATOM 378 C GLY A 27 -6.954 6.069 14.018 1.00 0.00 C ATOM 379 O GLY A 27 -7.637 6.693 14.828 1.00 0.00 O ATOM 0 H GLY A 27 -5.998 4.513 11.795 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.583 6.251 11.963 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.627 5.238 12.940 1.00 0.00 H new ATOM 383 N GLU A 28 -5.656 5.837 14.152 1.00 0.00 N ATOM 384 CA GLU A 28 -4.925 6.323 15.309 1.00 0.00 C ATOM 385 C GLU A 28 -4.697 7.832 15.198 1.00 0.00 C ATOM 386 O GLU A 28 -4.502 8.510 16.206 1.00 0.00 O ATOM 387 CB GLU A 28 -3.598 5.579 15.471 1.00 0.00 C ATOM 388 CG GLU A 28 -3.683 4.171 14.880 1.00 0.00 C ATOM 389 CD GLU A 28 -2.736 3.213 15.606 1.00 0.00 C ATOM 390 OE1 GLU A 28 -1.510 3.399 15.450 1.00 0.00 O ATOM 391 OE2 GLU A 28 -3.260 2.316 16.302 1.00 0.00 O ATOM 0 H GLU A 28 -5.092 5.319 13.478 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.523 6.130 16.199 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.802 6.137 14.978 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.338 5.519 16.528 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.706 3.803 14.955 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.432 4.202 13.820 1.00 0.00 H new ATOM 398 N LEU A 29 -4.730 8.314 13.964 1.00 0.00 N ATOM 399 CA LEU A 29 -4.530 9.730 13.708 1.00 0.00 C ATOM 400 C LEU A 29 -5.727 10.278 12.929 1.00 0.00 C ATOM 401 O LEU A 29 -5.563 11.098 12.027 1.00 0.00 O ATOM 402 CB LEU A 29 -3.186 9.965 13.015 1.00 0.00 C ATOM 403 CG LEU A 29 -2.213 8.784 13.021 1.00 0.00 C ATOM 404 CD1 LEU A 29 -1.224 8.883 11.858 1.00 0.00 C ATOM 405 CD2 LEU A 29 -1.501 8.666 14.370 1.00 0.00 C ATOM 0 H LEU A 29 -4.892 7.749 13.131 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.480 10.283 14.646 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.378 10.247 11.980 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.698 10.815 13.492 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.787 7.868 12.879 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.544 8.032 11.885 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.770 8.881 10.915 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.652 9.807 11.944 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.816 7.819 14.347 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.941 9.580 14.567 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.238 8.515 15.159 1.00 0.00 H new ATOM 417 N ASN A 30 -6.905 9.801 13.305 1.00 0.00 N ATOM 418 CA ASN A 30 -8.129 10.233 12.653 1.00 0.00 C ATOM 419 C ASN A 30 -8.637 11.511 13.324 1.00 0.00 C ATOM 420 O ASN A 30 -9.684 12.038 12.951 1.00 0.00 O ATOM 421 CB ASN A 30 -9.222 9.169 12.774 1.00 0.00 C ATOM 422 CG ASN A 30 -9.109 8.136 11.652 1.00 0.00 C ATOM 423 OD1 ASN A 30 -8.371 8.300 10.694 1.00 0.00 O ATOM 424 ND2 ASN A 30 -9.879 7.065 11.822 1.00 0.00 N ATOM 0 H ASN A 30 -7.037 9.120 14.053 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.907 10.405 11.600 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.144 8.671 13.741 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.202 9.644 12.738 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.875 6.318 11.127 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.474 6.990 12.647 1.00 0.00 H new ATOM 431 N HIS A 31 -7.871 11.972 14.301 1.00 0.00 N ATOM 432 CA HIS A 31 -8.229 13.178 15.028 1.00 0.00 C ATOM 433 C HIS A 31 -7.827 14.408 14.211 1.00 0.00 C ATOM 434 O HIS A 31 -8.381 15.490 14.397 1.00 0.00 O ATOM 435 CB HIS A 31 -7.617 13.171 16.430 1.00 0.00 C ATOM 436 CG HIS A 31 -6.122 12.955 16.446 1.00 0.00 C ATOM 437 ND1 HIS A 31 -5.544 11.704 16.323 1.00 0.00 N ATOM 438 CD2 HIS A 31 -5.095 13.844 16.570 1.00 0.00 C ATOM 439 CE1 HIS A 31 -4.227 11.845 16.374 1.00 0.00 C ATOM 440 NE2 HIS A 31 -3.951 13.172 16.527 1.00 0.00 N ATOM 0 H HIS A 31 -7.003 11.532 14.607 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.309 13.215 15.168 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.842 14.119 16.918 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.093 12.388 17.019 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -6.046 10.823 16.212 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -5.196 14.913 16.684 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.500 11.049 16.306 1.00 0.00 H new ATOM 448 N LEU A 32 -6.864 14.200 13.324 1.00 0.00 N ATOM 449 CA LEU A 32 -6.381 15.278 12.479 1.00 0.00 C ATOM 450 C LEU A 32 -6.726 14.971 11.020 1.00 0.00 C ATOM 451 O LEU A 32 -7.144 13.860 10.699 1.00 0.00 O ATOM 452 CB LEU A 32 -4.889 15.521 12.720 1.00 0.00 C ATOM 453 CG LEU A 32 -4.136 14.401 13.441 1.00 0.00 C ATOM 454 CD1 LEU A 32 -3.777 13.271 12.474 1.00 0.00 C ATOM 455 CD2 LEU A 32 -2.905 14.948 14.167 1.00 0.00 C ATOM 0 H LEU A 32 -6.406 13.301 13.173 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.878 16.214 12.735 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.409 15.693 11.757 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.779 16.438 13.300 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.795 13.978 14.199 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.243 12.488 13.012 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.689 12.858 12.043 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.144 13.661 11.677 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.388 14.132 14.671 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.233 15.412 13.445 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.216 15.690 14.903 1.00 0.00 H new ATOM 467 N PRO A 33 -6.532 16.001 10.154 1.00 0.00 N ATOM 468 CA PRO A 33 -6.818 15.852 8.737 1.00 0.00 C ATOM 469 C PRO A 33 -5.736 15.021 8.045 1.00 0.00 C ATOM 470 O PRO A 33 -4.667 14.794 8.608 1.00 0.00 O ATOM 471 CB PRO A 33 -6.909 17.272 8.203 1.00 0.00 C ATOM 472 CG PRO A 33 -6.216 18.150 9.232 1.00 0.00 C ATOM 473 CD PRO A 33 -6.037 17.331 10.499 1.00 0.00 C ATOM 0 HA PRO A 33 -7.745 15.310 8.549 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.425 17.355 7.230 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.948 17.573 8.069 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.250 18.488 8.857 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.809 19.042 9.435 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.991 17.297 10.804 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.598 17.759 11.330 1.00 0.00 H new ATOM 481 N LEU A 34 -6.052 14.590 6.832 1.00 0.00 N ATOM 482 CA LEU A 34 -5.121 13.788 6.056 1.00 0.00 C ATOM 483 C LEU A 34 -3.729 14.418 6.130 1.00 0.00 C ATOM 484 O LEU A 34 -2.767 13.763 6.530 1.00 0.00 O ATOM 485 CB LEU A 34 -5.636 13.601 4.628 1.00 0.00 C ATOM 486 CG LEU A 34 -4.858 12.611 3.759 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.355 12.887 3.825 1.00 0.00 C ATOM 488 CD2 LEU A 34 -5.193 11.167 4.139 1.00 0.00 C ATOM 0 H LEU A 34 -6.940 14.781 6.368 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.041 12.785 6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.674 13.273 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.632 14.571 4.131 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.166 12.751 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.825 12.169 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.155 13.897 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.012 12.791 4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.627 10.484 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.932 10.996 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.260 10.992 3.998 1.00 0.00 H new ATOM 500 N LYS A 35 -3.664 15.682 5.739 1.00 0.00 N ATOM 501 CA LYS A 35 -2.406 16.408 5.756 1.00 0.00 C ATOM 502 C LYS A 35 -1.581 15.963 6.966 1.00 0.00 C ATOM 503 O LYS A 35 -0.549 15.312 6.813 1.00 0.00 O ATOM 504 CB LYS A 35 -2.656 17.916 5.704 1.00 0.00 C ATOM 505 CG LYS A 35 -1.356 18.696 5.913 1.00 0.00 C ATOM 506 CD LYS A 35 -0.515 18.713 4.635 1.00 0.00 C ATOM 507 CE LYS A 35 0.527 17.593 4.648 1.00 0.00 C ATOM 508 NZ LYS A 35 1.653 17.923 3.746 1.00 0.00 N ATOM 0 H LYS A 35 -4.463 16.222 5.408 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.820 16.175 4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.093 18.183 4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.379 18.195 6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.585 19.718 6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.783 18.245 6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.164 18.600 3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.016 19.677 4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.897 17.444 5.662 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.066 16.656 4.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.351 17.153 3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.297 18.042 2.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.103 18.806 4.061 1.00 0.00 H new ATOM 522 N GLU A 36 -2.069 16.331 8.142 1.00 0.00 N ATOM 523 CA GLU A 36 -1.390 15.978 9.377 1.00 0.00 C ATOM 524 C GLU A 36 -1.122 14.472 9.423 1.00 0.00 C ATOM 525 O GLU A 36 0.013 14.047 9.631 1.00 0.00 O ATOM 526 CB GLU A 36 -2.199 16.428 10.595 1.00 0.00 C ATOM 527 CG GLU A 36 -1.793 17.837 11.032 1.00 0.00 C ATOM 528 CD GLU A 36 -1.578 17.901 12.546 1.00 0.00 C ATOM 529 OE1 GLU A 36 -0.677 17.177 13.022 1.00 0.00 O ATOM 530 OE2 GLU A 36 -2.320 18.671 13.193 1.00 0.00 O ATOM 0 H GLU A 36 -2.926 16.870 8.265 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.433 16.499 9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.263 16.409 10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.044 15.729 11.417 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.878 18.131 10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.565 18.549 10.740 1.00 0.00 H new ATOM 537 N ARG A 37 -2.186 13.708 9.226 1.00 0.00 N ATOM 538 CA ARG A 37 -2.079 12.259 9.243 1.00 0.00 C ATOM 539 C ARG A 37 -0.769 11.815 8.589 1.00 0.00 C ATOM 540 O ARG A 37 0.083 11.216 9.242 1.00 0.00 O ATOM 541 CB ARG A 37 -3.254 11.611 8.506 1.00 0.00 C ATOM 542 CG ARG A 37 -4.272 11.038 9.494 1.00 0.00 C ATOM 543 CD ARG A 37 -5.532 10.563 8.768 1.00 0.00 C ATOM 544 NE ARG A 37 -6.699 11.362 9.206 1.00 0.00 N ATOM 545 CZ ARG A 37 -7.969 11.069 8.895 1.00 0.00 C ATOM 546 NH1 ARG A 37 -8.244 9.994 8.144 1.00 0.00 N ATOM 547 NH2 ARG A 37 -8.964 11.850 9.336 1.00 0.00 N ATOM 0 H ARG A 37 -3.126 14.065 9.054 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.096 11.938 10.285 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.738 12.349 7.866 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.887 10.817 7.855 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.827 10.206 10.039 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.536 11.797 10.231 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.399 10.659 7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.705 9.507 8.975 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.525 12.187 9.780 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.487 9.399 7.809 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.211 9.771 7.907 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.755 12.668 9.909 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.931 11.627 9.099 1.00 0.00 H new ATOM 561 N MET A 38 -0.650 12.127 7.307 1.00 0.00 N ATOM 562 CA MET A 38 0.542 11.768 6.557 1.00 0.00 C ATOM 563 C MET A 38 1.809 12.129 7.335 1.00 0.00 C ATOM 564 O MET A 38 2.536 11.246 7.789 1.00 0.00 O ATOM 565 CB MET A 38 0.541 12.502 5.214 1.00 0.00 C ATOM 566 CG MET A 38 -0.385 11.811 4.212 1.00 0.00 C ATOM 567 SD MET A 38 0.549 10.675 3.200 1.00 0.00 S ATOM 568 CE MET A 38 0.260 9.156 4.092 1.00 0.00 C ATOM 0 H MET A 38 -1.359 12.624 6.768 1.00 0.00 H new ATOM 0 HA MET A 38 0.534 10.691 6.392 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.220 13.533 5.360 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.554 12.537 4.814 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.173 11.276 4.742 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.873 12.555 3.582 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.334 8.312 3.407 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.005 9.050 4.881 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.736 9.178 4.534 1.00 0.00 H new ATOM 578 N VAL A 39 2.035 13.428 7.467 1.00 0.00 N ATOM 579 CA VAL A 39 3.201 13.916 8.182 1.00 0.00 C ATOM 580 C VAL A 39 3.327 13.170 9.512 1.00 0.00 C ATOM 581 O VAL A 39 4.406 12.693 9.860 1.00 0.00 O ATOM 582 CB VAL A 39 3.112 15.434 8.355 1.00 0.00 C ATOM 583 CG1 VAL A 39 1.776 15.837 8.983 1.00 0.00 C ATOM 584 CG2 VAL A 39 4.287 15.962 9.180 1.00 0.00 C ATOM 0 H VAL A 39 1.430 14.157 7.090 1.00 0.00 H new ATOM 0 HA VAL A 39 4.109 13.720 7.611 1.00 0.00 H new ATOM 0 HB VAL A 39 3.167 15.887 7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.739 16.921 9.095 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.959 15.510 8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.678 15.368 9.962 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.199 17.043 9.288 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.277 15.497 10.166 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.223 15.722 8.675 1.00 0.00 H new ATOM 594 N GLU A 40 2.209 13.092 10.219 1.00 0.00 N ATOM 595 CA GLU A 40 2.181 12.412 11.503 1.00 0.00 C ATOM 596 C GLU A 40 2.682 10.974 11.353 1.00 0.00 C ATOM 597 O GLU A 40 3.418 10.477 12.204 1.00 0.00 O ATOM 598 CB GLU A 40 0.777 12.444 12.109 1.00 0.00 C ATOM 599 CG GLU A 40 0.837 12.691 13.618 1.00 0.00 C ATOM 600 CD GLU A 40 1.538 14.015 13.930 1.00 0.00 C ATOM 601 OE1 GLU A 40 0.880 15.062 13.746 1.00 0.00 O ATOM 602 OE2 GLU A 40 2.715 13.950 14.344 1.00 0.00 O ATOM 0 H GLU A 40 1.316 13.489 9.927 1.00 0.00 H new ATOM 0 HA GLU A 40 2.848 12.938 12.186 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.189 13.228 11.632 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.270 11.500 11.911 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.173 12.705 14.028 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.367 11.872 14.103 1.00 0.00 H new ATOM 609 N ILE A 41 2.262 10.346 10.264 1.00 0.00 N ATOM 610 CA ILE A 41 2.659 8.975 9.991 1.00 0.00 C ATOM 611 C ILE A 41 4.180 8.909 9.840 1.00 0.00 C ATOM 612 O ILE A 41 4.847 8.165 10.557 1.00 0.00 O ATOM 613 CB ILE A 41 1.896 8.427 8.784 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.395 8.350 9.072 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.465 7.077 8.343 1.00 0.00 C ATOM 616 CD1 ILE A 41 -0.420 8.556 7.794 1.00 0.00 C ATOM 0 H ILE A 41 1.651 10.761 9.561 1.00 0.00 H new ATOM 0 HA ILE A 41 2.394 8.328 10.827 1.00 0.00 H new ATOM 0 HB ILE A 41 2.029 9.120 7.953 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.154 7.381 9.509 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.123 9.107 9.807 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.905 6.709 7.483 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.513 7.196 8.069 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.383 6.362 9.162 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.483 8.496 8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.195 9.536 7.373 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.163 7.783 7.070 1.00 0.00 H new ATOM 628 N GLY A 42 4.684 9.697 8.901 1.00 0.00 N ATOM 629 CA GLY A 42 6.113 9.737 8.647 1.00 0.00 C ATOM 630 C GLY A 42 6.905 9.722 9.956 1.00 0.00 C ATOM 631 O GLY A 42 7.938 9.063 10.054 1.00 0.00 O ATOM 0 H GLY A 42 4.128 10.312 8.307 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.401 8.883 8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.360 10.634 8.079 1.00 0.00 H new ATOM 635 N SER A 43 6.388 10.457 10.931 1.00 0.00 N ATOM 636 CA SER A 43 7.033 10.536 12.230 1.00 0.00 C ATOM 637 C SER A 43 7.051 9.157 12.891 1.00 0.00 C ATOM 638 O SER A 43 8.099 8.691 13.336 1.00 0.00 O ATOM 639 CB SER A 43 6.328 11.549 13.134 1.00 0.00 C ATOM 640 OG SER A 43 7.248 12.269 13.949 1.00 0.00 O ATOM 0 H SER A 43 5.530 11.002 10.847 1.00 0.00 H new ATOM 0 HA SER A 43 8.059 10.874 12.082 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.762 12.250 12.520 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.610 11.030 13.769 1.00 0.00 H new ATOM 0 HG SER A 43 6.759 12.906 14.510 1.00 0.00 H new ATOM 646 N ARG A 44 5.878 8.541 12.934 1.00 0.00 N ATOM 647 CA ARG A 44 5.745 7.224 13.533 1.00 0.00 C ATOM 648 C ARG A 44 6.652 6.222 12.816 1.00 0.00 C ATOM 649 O ARG A 44 7.350 5.440 13.460 1.00 0.00 O ATOM 650 CB ARG A 44 4.298 6.732 13.466 1.00 0.00 C ATOM 651 CG ARG A 44 3.378 7.617 14.309 1.00 0.00 C ATOM 652 CD ARG A 44 2.200 6.813 14.862 1.00 0.00 C ATOM 653 NE ARG A 44 2.564 6.216 16.167 1.00 0.00 N ATOM 654 CZ ARG A 44 1.675 5.736 17.047 1.00 0.00 C ATOM 655 NH1 ARG A 44 0.365 5.781 16.769 1.00 0.00 N ATOM 656 NH2 ARG A 44 2.097 5.211 18.206 1.00 0.00 N ATOM 0 H ARG A 44 5.011 8.930 12.563 1.00 0.00 H new ATOM 0 HA ARG A 44 6.041 7.303 14.579 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.958 6.731 12.430 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.243 5.703 13.821 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.943 8.055 15.132 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.006 8.443 13.703 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.330 7.460 14.978 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.922 6.028 14.158 1.00 0.00 H new ATOM 0 HE ARG A 44 3.553 6.167 16.411 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.044 6.181 15.887 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.311 5.415 17.439 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.094 5.177 18.417 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.421 4.845 18.876 1.00 0.00 H new ATOM 670 N TRP A 45 6.612 6.276 11.493 1.00 0.00 N ATOM 671 CA TRP A 45 7.421 5.383 10.682 1.00 0.00 C ATOM 672 C TRP A 45 8.889 5.615 11.043 1.00 0.00 C ATOM 673 O TRP A 45 9.708 4.702 10.945 1.00 0.00 O ATOM 674 CB TRP A 45 7.133 5.582 9.192 1.00 0.00 C ATOM 675 CG TRP A 45 8.123 4.873 8.267 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.252 5.363 7.736 1.00 0.00 C ATOM 677 CD2 TRP A 45 8.027 3.517 7.782 1.00 0.00 C ATOM 678 NE1 TRP A 45 9.888 4.426 6.947 1.00 0.00 N ATOM 679 CE2 TRP A 45 9.119 3.268 6.976 1.00 0.00 C ATOM 680 CE3 TRP A 45 7.050 2.534 8.016 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.338 2.040 6.339 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.283 1.313 7.373 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.377 1.046 6.558 1.00 0.00 C ATOM 0 H TRP A 45 6.031 6.925 10.962 1.00 0.00 H new ATOM 0 HA TRP A 45 7.172 4.342 10.890 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.127 5.222 8.976 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.144 6.649 8.970 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.618 6.365 7.904 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.761 4.559 6.437 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.188 2.707 8.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 10.201 1.869 5.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.562 0.522 7.520 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.485 0.076 6.096 1.00 0.00 H new ATOM 694 N GLN A 46 9.177 6.841 11.455 1.00 0.00 N ATOM 695 CA GLN A 46 10.533 7.205 11.831 1.00 0.00 C ATOM 696 C GLN A 46 10.861 6.660 13.223 1.00 0.00 C ATOM 697 O GLN A 46 12.021 6.648 13.631 1.00 0.00 O ATOM 698 CB GLN A 46 10.729 8.721 11.776 1.00 0.00 C ATOM 699 CG GLN A 46 11.163 9.167 10.378 1.00 0.00 C ATOM 700 CD GLN A 46 12.662 9.472 10.341 1.00 0.00 C ATOM 701 OE1 GLN A 46 13.152 10.385 10.985 1.00 0.00 O ATOM 702 NE2 GLN A 46 13.360 8.661 9.552 1.00 0.00 N ATOM 0 H GLN A 46 8.495 7.595 11.537 1.00 0.00 H new ATOM 0 HA GLN A 46 11.221 6.757 11.114 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.800 9.222 12.049 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.480 9.021 12.507 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.929 8.386 9.654 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.600 10.053 10.084 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.887 7.916 9.040 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.368 8.784 9.458 1.00 0.00 H new ATOM 711 N ARG A 47 9.818 6.222 13.913 1.00 0.00 N ATOM 712 CA ARG A 47 9.981 5.677 15.250 1.00 0.00 C ATOM 713 C ARG A 47 10.257 4.173 15.181 1.00 0.00 C ATOM 714 O ARG A 47 11.225 3.689 15.764 1.00 0.00 O ATOM 715 CB ARG A 47 8.733 5.920 16.100 1.00 0.00 C ATOM 716 CG ARG A 47 8.526 7.415 16.355 1.00 0.00 C ATOM 717 CD ARG A 47 7.070 7.713 16.720 1.00 0.00 C ATOM 718 NE ARG A 47 6.971 8.078 18.150 1.00 0.00 N ATOM 719 CZ ARG A 47 6.901 7.188 19.150 1.00 0.00 C ATOM 720 NH1 ARG A 47 6.918 5.876 18.881 1.00 0.00 N ATOM 721 NH2 ARG A 47 6.813 7.611 20.418 1.00 0.00 N ATOM 0 H ARG A 47 8.857 6.233 13.571 1.00 0.00 H new ATOM 0 HA ARG A 47 10.827 6.185 15.713 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.859 5.509 15.595 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.828 5.395 17.050 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.181 7.744 17.161 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.805 7.981 15.466 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.691 8.526 16.102 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.449 6.841 16.515 1.00 0.00 H new ATOM 0 HE ARG A 47 6.955 9.069 18.390 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.984 5.554 17.915 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.865 5.199 19.642 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.799 8.610 20.623 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.760 6.934 21.179 1.00 0.00 H new ATOM 735 N ILE A 48 9.388 3.477 14.462 1.00 0.00 N ATOM 736 CA ILE A 48 9.526 2.039 14.309 1.00 0.00 C ATOM 737 C ILE A 48 11.003 1.691 14.110 1.00 0.00 C ATOM 738 O ILE A 48 11.804 2.551 13.747 1.00 0.00 O ATOM 739 CB ILE A 48 8.618 1.530 13.187 1.00 0.00 C ATOM 740 CG1 ILE A 48 8.763 2.391 11.931 1.00 0.00 C ATOM 741 CG2 ILE A 48 7.165 1.441 13.657 1.00 0.00 C ATOM 742 CD1 ILE A 48 7.978 1.793 10.762 1.00 0.00 C ATOM 0 H ILE A 48 8.586 3.882 13.979 1.00 0.00 H new ATOM 0 HA ILE A 48 9.196 1.526 15.213 1.00 0.00 H new ATOM 0 HB ILE A 48 8.934 0.521 12.923 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.406 3.401 12.135 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.816 2.474 11.662 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.540 1.077 12.841 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.097 0.754 14.501 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.821 2.429 13.964 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.098 2.425 9.882 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.354 0.793 10.545 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.922 1.735 11.025 1.00 0.00 H new ATOM 754 N SER A 49 11.319 0.428 14.358 1.00 0.00 N ATOM 755 CA SER A 49 12.685 -0.044 14.211 1.00 0.00 C ATOM 756 C SER A 49 12.853 -0.749 12.864 1.00 0.00 C ATOM 757 O SER A 49 11.868 -1.096 12.214 1.00 0.00 O ATOM 758 CB SER A 49 13.068 -0.987 15.354 1.00 0.00 C ATOM 759 OG SER A 49 13.958 -0.370 16.280 1.00 0.00 O ATOM 0 H SER A 49 10.652 -0.283 14.660 1.00 0.00 H new ATOM 0 HA SER A 49 13.350 0.819 14.248 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.167 -1.308 15.876 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.535 -1.883 14.944 1.00 0.00 H new ATOM 0 HG SER A 49 14.177 -1.003 16.995 1.00 0.00 H new ATOM 765 N GLN A 50 14.108 -0.939 12.484 1.00 0.00 N ATOM 766 CA GLN A 50 14.418 -1.595 11.225 1.00 0.00 C ATOM 767 C GLN A 50 13.483 -2.786 11.004 1.00 0.00 C ATOM 768 O GLN A 50 12.813 -2.871 9.976 1.00 0.00 O ATOM 769 CB GLN A 50 15.883 -2.033 11.181 1.00 0.00 C ATOM 770 CG GLN A 50 16.263 -2.537 9.787 1.00 0.00 C ATOM 771 CD GLN A 50 15.991 -1.469 8.725 1.00 0.00 C ATOM 772 OE1 GLN A 50 14.762 -1.511 8.218 1.00 0.00 O flip ATOM 773 NE2 GLN A 50 16.841 -0.661 8.388 1.00 0.00 N flip ATOM 0 H GLN A 50 14.922 -0.650 13.026 1.00 0.00 H new ATOM 0 HA GLN A 50 14.263 -0.880 10.417 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.525 -1.196 11.457 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.053 -2.820 11.915 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.318 -2.811 9.770 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.696 -3.438 9.555 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.766 -0.684 8.818 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.627 0.038 7.676 1.00 0.00 H new ATOM 782 N SER A 51 13.468 -3.676 11.985 1.00 0.00 N ATOM 783 CA SER A 51 12.627 -4.859 11.910 1.00 0.00 C ATOM 784 C SER A 51 11.276 -4.501 11.288 1.00 0.00 C ATOM 785 O SER A 51 10.775 -5.222 10.427 1.00 0.00 O ATOM 786 CB SER A 51 12.426 -5.480 13.294 1.00 0.00 C ATOM 787 OG SER A 51 11.339 -6.401 13.313 1.00 0.00 O ATOM 0 H SER A 51 14.025 -3.602 12.836 1.00 0.00 H new ATOM 0 HA SER A 51 13.127 -5.595 11.280 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.339 -5.991 13.598 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.245 -4.690 14.023 1.00 0.00 H new ATOM 0 HG SER A 51 11.244 -6.777 14.213 1.00 0.00 H new ATOM 793 N GLN A 52 10.724 -3.388 11.749 1.00 0.00 N ATOM 794 CA GLN A 52 9.441 -2.926 11.248 1.00 0.00 C ATOM 795 C GLN A 52 9.529 -2.638 9.748 1.00 0.00 C ATOM 796 O GLN A 52 8.989 -3.387 8.936 1.00 0.00 O ATOM 797 CB GLN A 52 8.965 -1.691 12.016 1.00 0.00 C ATOM 798 CG GLN A 52 7.700 -1.999 12.819 1.00 0.00 C ATOM 799 CD GLN A 52 7.745 -1.326 14.193 1.00 0.00 C ATOM 800 OE1 GLN A 52 8.772 -0.850 14.646 1.00 0.00 O ATOM 801 NE2 GLN A 52 6.576 -1.314 14.828 1.00 0.00 N ATOM 0 H GLN A 52 11.142 -2.793 12.464 1.00 0.00 H new ATOM 0 HA GLN A 52 8.707 -3.716 11.404 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.753 -1.350 12.688 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.768 -0.878 11.318 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.824 -1.655 12.270 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.596 -3.077 12.941 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.754 -1.731 14.391 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.502 -0.888 15.752 1.00 0.00 H new ATOM 810 N LYS A 53 10.214 -1.550 9.426 1.00 0.00 N ATOM 811 CA LYS A 53 10.379 -1.154 8.037 1.00 0.00 C ATOM 812 C LYS A 53 10.693 -2.391 7.193 1.00 0.00 C ATOM 813 O LYS A 53 10.210 -2.518 6.068 1.00 0.00 O ATOM 814 CB LYS A 53 11.427 -0.045 7.918 1.00 0.00 C ATOM 815 CG LYS A 53 11.026 1.179 8.744 1.00 0.00 C ATOM 816 CD LYS A 53 11.973 2.351 8.481 1.00 0.00 C ATOM 817 CE LYS A 53 11.424 3.646 9.083 1.00 0.00 C ATOM 818 NZ LYS A 53 12.011 3.886 10.420 1.00 0.00 N ATOM 0 H LYS A 53 10.661 -0.931 10.102 1.00 0.00 H new ATOM 0 HA LYS A 53 9.453 -0.729 7.648 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.394 -0.416 8.257 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.543 0.240 6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.005 1.470 8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.039 0.927 9.804 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.952 2.134 8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.113 2.476 7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.650 4.485 8.424 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.338 3.586 9.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.259 4.155 11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.477 3.019 10.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.710 4.653 10.359 1.00 0.00 H new ATOM 832 N GLU A 54 11.500 -3.271 7.767 1.00 0.00 N ATOM 833 CA GLU A 54 11.884 -4.493 7.081 1.00 0.00 C ATOM 834 C GLU A 54 10.648 -5.342 6.777 1.00 0.00 C ATOM 835 O GLU A 54 10.384 -5.668 5.621 1.00 0.00 O ATOM 836 CB GLU A 54 12.905 -5.284 7.901 1.00 0.00 C ATOM 837 CG GLU A 54 14.334 -4.875 7.538 1.00 0.00 C ATOM 838 CD GLU A 54 14.910 -5.793 6.457 1.00 0.00 C ATOM 839 OE1 GLU A 54 14.124 -6.184 5.568 1.00 0.00 O ATOM 840 OE2 GLU A 54 16.123 -6.082 6.545 1.00 0.00 O ATOM 0 H GLU A 54 11.899 -3.162 8.700 1.00 0.00 H new ATOM 0 HA GLU A 54 12.356 -4.223 6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.733 -5.114 8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.772 -6.351 7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.342 -3.843 7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.964 -4.914 8.427 1.00 0.00 H new ATOM 847 N HIS A 55 9.924 -5.675 7.835 1.00 0.00 N ATOM 848 CA HIS A 55 8.722 -6.480 7.696 1.00 0.00 C ATOM 849 C HIS A 55 7.796 -5.844 6.657 1.00 0.00 C ATOM 850 O HIS A 55 7.571 -6.413 5.590 1.00 0.00 O ATOM 851 CB HIS A 55 8.043 -6.681 9.052 1.00 0.00 C ATOM 852 CG HIS A 55 6.914 -7.684 9.031 1.00 0.00 C ATOM 853 ND1 HIS A 55 6.949 -8.835 8.265 1.00 0.00 N ATOM 854 CD2 HIS A 55 5.720 -7.696 9.690 1.00 0.00 C ATOM 855 CE1 HIS A 55 5.821 -9.503 8.461 1.00 0.00 C ATOM 856 NE2 HIS A 55 5.061 -8.794 9.344 1.00 0.00 N ATOM 0 H HIS A 55 10.146 -5.402 8.792 1.00 0.00 H new ATOM 0 HA HIS A 55 8.985 -7.475 7.336 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.790 -7.005 9.776 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.657 -5.722 9.399 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.370 -6.940 10.377 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.551 -10.443 8.002 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.137 -9.064 9.683 1.00 0.00 H new ATOM 864 N TYR A 56 7.284 -4.673 7.006 1.00 0.00 N ATOM 865 CA TYR A 56 6.387 -3.954 6.117 1.00 0.00 C ATOM 866 C TYR A 56 6.928 -3.941 4.686 1.00 0.00 C ATOM 867 O TYR A 56 6.157 -3.962 3.728 1.00 0.00 O ATOM 868 CB TYR A 56 6.335 -2.517 6.643 1.00 0.00 C ATOM 869 CG TYR A 56 5.486 -2.346 7.904 1.00 0.00 C ATOM 870 CD1 TYR A 56 4.293 -3.029 8.030 1.00 0.00 C ATOM 871 CD2 TYR A 56 5.913 -1.510 8.915 1.00 0.00 C ATOM 872 CE1 TYR A 56 3.494 -2.868 9.217 1.00 0.00 C ATOM 873 CE2 TYR A 56 5.113 -1.348 10.102 1.00 0.00 C ATOM 874 CZ TYR A 56 3.943 -2.036 10.194 1.00 0.00 C ATOM 875 OH TYR A 56 3.188 -1.884 11.315 1.00 0.00 O ATOM 0 H TYR A 56 7.473 -4.204 7.892 1.00 0.00 H new ATOM 0 HA TYR A 56 5.406 -4.428 6.096 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.350 -2.181 6.853 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.940 -1.869 5.861 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.959 -3.684 7.239 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.847 -0.977 8.817 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.559 -3.396 9.329 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.435 -0.696 10.900 1.00 0.00 H new ATOM 0 HH TYR A 56 3.633 -1.261 11.927 1.00 0.00 H new ATOM 885 N LYS A 57 8.248 -3.908 4.586 1.00 0.00 N ATOM 886 CA LYS A 57 8.901 -3.892 3.288 1.00 0.00 C ATOM 887 C LYS A 57 8.720 -5.255 2.615 1.00 0.00 C ATOM 888 O LYS A 57 8.643 -5.341 1.391 1.00 0.00 O ATOM 889 CB LYS A 57 10.363 -3.465 3.428 1.00 0.00 C ATOM 890 CG LYS A 57 11.084 -3.525 2.080 1.00 0.00 C ATOM 891 CD LYS A 57 12.473 -2.891 2.171 1.00 0.00 C ATOM 892 CE LYS A 57 13.496 -3.887 2.722 1.00 0.00 C ATOM 893 NZ LYS A 57 14.227 -4.543 1.615 1.00 0.00 N ATOM 0 H LYS A 57 8.884 -3.892 5.383 1.00 0.00 H new ATOM 0 HA LYS A 57 8.438 -3.150 2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.413 -2.452 3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.868 -4.114 4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.175 -4.562 1.758 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.493 -3.007 1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.787 -2.551 1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.434 -2.012 2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.200 -3.371 3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.991 -4.639 3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.917 -5.216 2.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.553 -5.052 1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.725 -3.823 1.053 1.00 0.00 H new ATOM 907 N LYS A 58 8.658 -6.285 3.445 1.00 0.00 N ATOM 908 CA LYS A 58 8.488 -7.639 2.946 1.00 0.00 C ATOM 909 C LYS A 58 7.024 -7.854 2.555 1.00 0.00 C ATOM 910 O LYS A 58 6.736 -8.422 1.503 1.00 0.00 O ATOM 911 CB LYS A 58 9.008 -8.655 3.965 1.00 0.00 C ATOM 912 CG LYS A 58 8.255 -9.982 3.849 1.00 0.00 C ATOM 913 CD LYS A 58 6.994 -9.976 4.715 1.00 0.00 C ATOM 914 CE LYS A 58 6.509 -11.401 4.988 1.00 0.00 C ATOM 915 NZ LYS A 58 7.553 -12.178 5.693 1.00 0.00 N ATOM 0 H LYS A 58 8.722 -6.210 4.460 1.00 0.00 H new ATOM 0 HA LYS A 58 9.084 -7.791 2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.073 -8.822 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.895 -8.255 4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.985 -10.161 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.906 -10.801 4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.199 -9.471 5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.208 -9.410 4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.600 -11.373 5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.255 -11.891 4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.104 -12.915 6.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.185 -12.623 4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.104 -11.543 6.305 1.00 0.00 H new ATOM 929 N LEU A 59 6.139 -7.388 3.424 1.00 0.00 N ATOM 930 CA LEU A 59 4.712 -7.522 3.182 1.00 0.00 C ATOM 931 C LEU A 59 4.382 -6.981 1.790 1.00 0.00 C ATOM 932 O LEU A 59 3.704 -7.645 1.007 1.00 0.00 O ATOM 933 CB LEU A 59 3.914 -6.857 4.306 1.00 0.00 C ATOM 934 CG LEU A 59 3.874 -7.611 5.637 1.00 0.00 C ATOM 935 CD1 LEU A 59 3.623 -9.103 5.414 1.00 0.00 C ATOM 936 CD2 LEU A 59 5.145 -7.358 6.448 1.00 0.00 C ATOM 0 H LEU A 59 6.382 -6.918 4.296 1.00 0.00 H new ATOM 0 HA LEU A 59 4.420 -8.572 3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.332 -5.866 4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.890 -6.713 3.962 1.00 0.00 H new ATOM 0 HG LEU A 59 3.038 -7.228 6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.599 -9.616 6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.668 -9.239 4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.423 -9.519 4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.091 -7.905 7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.012 -7.696 5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.239 -6.292 6.653 1.00 0.00 H new ATOM 948 N ALA A 60 4.876 -5.781 1.523 1.00 0.00 N ATOM 949 CA ALA A 60 4.642 -5.143 0.239 1.00 0.00 C ATOM 950 C ALA A 60 4.874 -6.160 -0.880 1.00 0.00 C ATOM 951 O ALA A 60 4.112 -6.213 -1.844 1.00 0.00 O ATOM 952 CB ALA A 60 5.544 -3.914 0.107 1.00 0.00 C ATOM 0 H ALA A 60 5.438 -5.233 2.175 1.00 0.00 H new ATOM 0 HA ALA A 60 3.610 -4.799 0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.368 -3.435 -0.856 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.319 -3.210 0.908 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.588 -4.220 0.175 1.00 0.00 H new ATOM 958 N GLU A 61 5.931 -6.943 -0.715 1.00 0.00 N ATOM 959 CA GLU A 61 6.273 -7.955 -1.700 1.00 0.00 C ATOM 960 C GLU A 61 5.170 -9.012 -1.780 1.00 0.00 C ATOM 961 O GLU A 61 4.838 -9.486 -2.866 1.00 0.00 O ATOM 962 CB GLU A 61 7.624 -8.597 -1.379 1.00 0.00 C ATOM 963 CG GLU A 61 8.626 -7.550 -0.888 1.00 0.00 C ATOM 964 CD GLU A 61 10.064 -8.006 -1.142 1.00 0.00 C ATOM 965 OE1 GLU A 61 10.398 -9.116 -0.675 1.00 0.00 O ATOM 966 OE2 GLU A 61 10.798 -7.234 -1.796 1.00 0.00 O ATOM 0 H GLU A 61 6.561 -6.897 0.086 1.00 0.00 H new ATOM 0 HA GLU A 61 6.358 -7.472 -2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.493 -9.366 -0.617 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.016 -9.092 -2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.446 -6.603 -1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.480 -7.373 0.178 1.00 0.00 H new ATOM 973 N GLU A 62 4.631 -9.349 -0.618 1.00 0.00 N ATOM 974 CA GLU A 62 3.572 -10.341 -0.543 1.00 0.00 C ATOM 975 C GLU A 62 2.249 -9.742 -1.026 1.00 0.00 C ATOM 976 O GLU A 62 1.501 -10.390 -1.756 1.00 0.00 O ATOM 977 CB GLU A 62 3.438 -10.894 0.877 1.00 0.00 C ATOM 978 CG GLU A 62 2.154 -11.713 1.028 1.00 0.00 C ATOM 979 CD GLU A 62 2.458 -13.118 1.550 1.00 0.00 C ATOM 980 OE1 GLU A 62 2.754 -13.987 0.702 1.00 0.00 O ATOM 981 OE2 GLU A 62 2.387 -13.292 2.786 1.00 0.00 O ATOM 0 H GLU A 62 4.908 -8.952 0.280 1.00 0.00 H new ATOM 0 HA GLU A 62 3.832 -11.173 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.301 -11.517 1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.435 -10.072 1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.474 -11.206 1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.646 -11.781 0.066 1.00 0.00 H new ATOM 988 N GLN A 63 2.002 -8.513 -0.598 1.00 0.00 N ATOM 989 CA GLN A 63 0.783 -7.820 -0.978 1.00 0.00 C ATOM 990 C GLN A 63 0.711 -7.665 -2.498 1.00 0.00 C ATOM 991 O GLN A 63 -0.315 -7.961 -3.108 1.00 0.00 O ATOM 992 CB GLN A 63 0.687 -6.460 -0.283 1.00 0.00 C ATOM 993 CG GLN A 63 -0.319 -6.502 0.869 1.00 0.00 C ATOM 994 CD GLN A 63 -1.717 -6.865 0.363 1.00 0.00 C ATOM 995 OE1 GLN A 63 -2.126 -8.014 0.361 1.00 0.00 O ATOM 996 NE2 GLN A 63 -2.425 -5.823 -0.065 1.00 0.00 N ATOM 0 H GLN A 63 2.625 -7.979 0.008 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.068 -8.419 -0.654 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.667 -6.171 0.096 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.388 -5.699 -1.004 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.004 -7.232 1.612 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.349 -5.532 1.366 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.022 -4.886 -0.036 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.370 -5.961 -0.422 1.00 0.00 H new ATOM 1005 N GLN A 64 1.815 -7.203 -3.067 1.00 0.00 N ATOM 1006 CA GLN A 64 1.890 -7.005 -4.504 1.00 0.00 C ATOM 1007 C GLN A 64 1.885 -8.354 -5.226 1.00 0.00 C ATOM 1008 O GLN A 64 1.579 -8.425 -6.415 1.00 0.00 O ATOM 1009 CB GLN A 64 3.126 -6.186 -4.881 1.00 0.00 C ATOM 1010 CG GLN A 64 3.084 -4.801 -4.234 1.00 0.00 C ATOM 1011 CD GLN A 64 4.383 -4.035 -4.494 1.00 0.00 C ATOM 1012 OE1 GLN A 64 4.504 -3.267 -5.435 1.00 0.00 O ATOM 1013 NE2 GLN A 64 5.345 -4.285 -3.611 1.00 0.00 N ATOM 0 H GLN A 64 2.665 -6.960 -2.558 1.00 0.00 H new ATOM 0 HA GLN A 64 1.012 -6.442 -4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.026 -6.712 -4.564 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.182 -6.084 -5.965 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.239 -4.237 -4.629 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.926 -4.902 -3.160 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.178 -4.939 -2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.250 -3.823 -3.698 1.00 0.00 H new ATOM 1022 N ARG A 65 2.228 -9.392 -4.477 1.00 0.00 N ATOM 1023 CA ARG A 65 2.267 -10.735 -5.030 1.00 0.00 C ATOM 1024 C ARG A 65 0.848 -11.284 -5.189 1.00 0.00 C ATOM 1025 O ARG A 65 0.512 -11.853 -6.227 1.00 0.00 O ATOM 1026 CB ARG A 65 3.074 -11.677 -4.134 1.00 0.00 C ATOM 1027 CG ARG A 65 2.534 -13.106 -4.214 1.00 0.00 C ATOM 1028 CD ARG A 65 3.446 -14.079 -3.465 1.00 0.00 C ATOM 1029 NE ARG A 65 2.840 -15.430 -3.448 1.00 0.00 N ATOM 1030 CZ ARG A 65 3.522 -16.556 -3.197 1.00 0.00 C ATOM 1031 NH1 ARG A 65 4.835 -16.500 -2.939 1.00 0.00 N ATOM 1032 NH2 ARG A 65 2.889 -17.737 -3.202 1.00 0.00 N ATOM 0 H ARG A 65 2.482 -9.330 -3.491 1.00 0.00 H new ATOM 0 HA ARG A 65 2.750 -10.678 -6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.121 -11.663 -4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.034 -11.327 -3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.530 -13.144 -3.791 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.451 -13.410 -5.258 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.424 -14.116 -3.945 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.605 -13.730 -2.445 1.00 0.00 H new ATOM 0 HE ARG A 65 1.841 -15.508 -3.639 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.316 -15.600 -2.934 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.354 -17.357 -2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.889 -17.779 -3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.408 -18.594 -3.011 1.00 0.00 H new ATOM 1046 N GLN A 66 0.054 -11.095 -4.146 1.00 0.00 N ATOM 1047 CA GLN A 66 -1.321 -11.565 -4.157 1.00 0.00 C ATOM 1048 C GLN A 66 -2.163 -10.721 -5.117 1.00 0.00 C ATOM 1049 O GLN A 66 -2.937 -11.259 -5.907 1.00 0.00 O ATOM 1050 CB GLN A 66 -1.917 -11.550 -2.748 1.00 0.00 C ATOM 1051 CG GLN A 66 -1.339 -12.683 -1.897 1.00 0.00 C ATOM 1052 CD GLN A 66 -1.789 -12.558 -0.440 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -2.911 -12.185 -0.139 1.00 0.00 O ATOM 1054 NE2 GLN A 66 -0.853 -12.889 0.445 1.00 0.00 N ATOM 0 H GLN A 66 0.336 -10.623 -3.287 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.329 -12.597 -4.508 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.711 -10.591 -2.272 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.001 -11.651 -2.806 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.659 -13.644 -2.299 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.250 -12.662 -1.948 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.066 -13.193 0.125 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.055 -12.838 1.444 1.00 0.00 H new ATOM 1063 N TYR A 67 -1.983 -9.412 -5.017 1.00 0.00 N ATOM 1064 CA TYR A 67 -2.715 -8.489 -5.866 1.00 0.00 C ATOM 1065 C TYR A 67 -2.571 -8.869 -7.341 1.00 0.00 C ATOM 1066 O TYR A 67 -3.409 -8.504 -8.165 1.00 0.00 O ATOM 1067 CB TYR A 67 -2.081 -7.115 -5.641 1.00 0.00 C ATOM 1068 CG TYR A 67 -2.464 -6.073 -6.694 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -1.980 -6.182 -7.981 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -3.294 -5.023 -6.356 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -2.341 -5.201 -8.972 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -3.655 -4.042 -7.346 1.00 0.00 C ATOM 1073 CZ TYR A 67 -3.160 -4.180 -8.606 1.00 0.00 C ATOM 1074 OH TYR A 67 -3.501 -3.254 -9.542 1.00 0.00 O ATOM 0 H TYR A 67 -1.340 -8.969 -4.360 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.777 -8.504 -5.622 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.374 -6.748 -4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.997 -7.224 -5.630 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.330 -7.003 -8.246 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.673 -4.937 -5.348 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.969 -5.275 -9.983 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.304 -3.216 -7.094 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.092 -2.584 -9.139 1.00 0.00 H new ATOM 1084 N LYS A 68 -1.503 -9.596 -7.630 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.238 -10.029 -8.992 1.00 0.00 C ATOM 1086 C LYS A 68 -2.287 -11.063 -9.407 1.00 0.00 C ATOM 1087 O LYS A 68 -3.009 -10.862 -10.382 1.00 0.00 O ATOM 1088 CB LYS A 68 0.202 -10.528 -9.125 1.00 0.00 C ATOM 1089 CG LYS A 68 1.195 -9.367 -9.034 1.00 0.00 C ATOM 1090 CD LYS A 68 1.687 -8.956 -10.423 1.00 0.00 C ATOM 1091 CE LYS A 68 2.174 -7.506 -10.425 1.00 0.00 C ATOM 1092 NZ LYS A 68 3.563 -7.424 -9.920 1.00 0.00 N ATOM 0 H LYS A 68 -0.810 -9.897 -6.945 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.326 -9.190 -9.682 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.413 -11.254 -8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.326 -11.043 -10.078 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.721 -8.516 -8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.044 -9.657 -8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.496 -9.616 -10.736 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.881 -9.074 -11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.124 -7.101 -11.436 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.519 -6.895 -9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.877 -6.433 -9.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.601 -7.791 -8.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.188 -7.990 -10.529 1.00 0.00 H new ATOM 1106 N VAL A 69 -2.338 -12.146 -8.645 1.00 0.00 N ATOM 1107 CA VAL A 69 -3.287 -13.211 -8.922 1.00 0.00 C ATOM 1108 C VAL A 69 -4.711 -12.672 -8.769 1.00 0.00 C ATOM 1109 O VAL A 69 -5.590 -12.996 -9.566 1.00 0.00 O ATOM 1110 CB VAL A 69 -3.003 -14.412 -8.018 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -1.498 -14.629 -7.851 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -3.688 -14.251 -6.659 1.00 0.00 C ATOM 0 H VAL A 69 -1.738 -12.309 -7.836 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.180 -13.561 -9.949 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.418 -15.298 -8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.324 -15.489 -7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.046 -14.811 -8.826 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.050 -13.742 -7.404 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.470 -15.119 -6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.318 -13.350 -6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.765 -14.169 -6.802 1.00 0.00 H new ATOM 1122 N HIS A 70 -4.895 -11.858 -7.740 1.00 0.00 N ATOM 1123 CA HIS A 70 -6.196 -11.271 -7.473 1.00 0.00 C ATOM 1124 C HIS A 70 -6.787 -10.719 -8.772 1.00 0.00 C ATOM 1125 O HIS A 70 -7.927 -11.026 -9.119 1.00 0.00 O ATOM 1126 CB HIS A 70 -6.100 -10.214 -6.370 1.00 0.00 C ATOM 1127 CG HIS A 70 -5.810 -10.781 -5.000 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -5.277 -11.979 -4.626 1.00 0.00 N flip ATOM 1129 CD2 HIS A 70 -6.075 -10.089 -3.831 1.00 0.00 C flip ATOM 1130 CE1 HIS A 70 -5.217 -12.017 -3.301 1.00 0.00 C flip ATOM 1131 NE2 HIS A 70 -5.712 -10.846 -2.806 1.00 0.00 N flip ATOM 0 H HIS A 70 -4.164 -11.591 -7.081 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.875 -12.039 -7.103 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.317 -9.502 -6.630 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.037 -9.658 -6.331 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.505 -9.100 -3.765 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.839 -12.839 -2.712 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.789 -10.597 -1.820 1.00 0.00 H new ATOM 1139 N LEU A 71 -5.985 -9.915 -9.454 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.414 -9.318 -10.708 1.00 0.00 C ATOM 1141 C LEU A 71 -6.979 -10.409 -11.620 1.00 0.00 C ATOM 1142 O LEU A 71 -7.995 -10.205 -12.282 1.00 0.00 O ATOM 1143 CB LEU A 71 -5.273 -8.518 -11.338 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.644 -7.140 -11.890 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -6.470 -6.348 -10.875 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -4.397 -6.374 -12.338 1.00 0.00 C ATOM 0 H LEU A 71 -5.041 -9.663 -9.162 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.216 -8.601 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.490 -8.389 -10.590 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.846 -9.109 -12.148 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.268 -7.282 -12.772 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.721 -5.373 -11.292 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.387 -6.892 -10.648 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.892 -6.214 -9.961 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.689 -5.398 -12.726 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.727 -6.241 -11.489 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.885 -6.937 -13.119 1.00 0.00 H new ATOM 1158 N ASP A 72 -6.294 -11.543 -11.627 1.00 0.00 N ATOM 1159 CA ASP A 72 -6.714 -12.666 -12.447 1.00 0.00 C ATOM 1160 C ASP A 72 -8.016 -13.242 -11.887 1.00 0.00 C ATOM 1161 O ASP A 72 -8.904 -13.631 -12.645 1.00 0.00 O ATOM 1162 CB ASP A 72 -5.663 -13.778 -12.439 1.00 0.00 C ATOM 1163 CG ASP A 72 -4.858 -13.916 -13.733 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -5.364 -13.435 -14.770 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -3.756 -14.500 -13.656 1.00 0.00 O ATOM 0 H ASP A 72 -5.451 -11.708 -11.078 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.850 -12.306 -13.467 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.971 -13.598 -11.616 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.161 -14.726 -12.235 1.00 0.00 H new ATOM 1170 N LEU A 73 -8.089 -13.279 -10.565 1.00 0.00 N ATOM 1171 CA LEU A 73 -9.268 -13.802 -9.895 1.00 0.00 C ATOM 1172 C LEU A 73 -10.479 -12.939 -10.256 1.00 0.00 C ATOM 1173 O LEU A 73 -11.568 -13.459 -10.489 1.00 0.00 O ATOM 1174 CB LEU A 73 -9.021 -13.916 -8.389 1.00 0.00 C ATOM 1175 CG LEU A 73 -7.716 -14.598 -7.973 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -7.779 -15.059 -6.516 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -7.370 -15.746 -8.923 1.00 0.00 C ATOM 0 H LEU A 73 -7.351 -12.955 -9.939 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.484 -14.814 -10.237 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.036 -12.913 -7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.852 -14.464 -7.945 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.911 -13.867 -8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.839 -15.540 -6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.945 -14.198 -5.869 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.598 -15.768 -6.394 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.438 -16.213 -8.605 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.171 -16.485 -8.907 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.254 -15.358 -9.935 1.00 0.00 H new ATOM 1189 N TRP A 74 -10.247 -11.635 -10.290 1.00 0.00 N ATOM 1190 CA TRP A 74 -11.305 -10.695 -10.618 1.00 0.00 C ATOM 1191 C TRP A 74 -11.687 -10.906 -12.085 1.00 0.00 C ATOM 1192 O TRP A 74 -12.809 -10.603 -12.488 1.00 0.00 O ATOM 1193 CB TRP A 74 -10.877 -9.258 -10.313 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.705 -8.195 -11.037 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -12.853 -7.630 -10.638 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -11.401 -7.588 -12.311 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -13.309 -6.707 -11.557 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -12.398 -6.681 -12.606 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -10.319 -7.798 -13.184 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -12.413 -5.912 -13.777 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -10.349 -7.022 -14.349 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -11.345 -6.105 -14.661 1.00 0.00 C ATOM 0 H TRP A 74 -9.342 -11.207 -10.096 1.00 0.00 H new ATOM 0 HA TRP A 74 -12.184 -10.874 -9.999 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -10.948 -9.089 -9.238 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.829 -9.136 -10.587 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.358 -7.867 -9.713 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -14.158 -6.147 -11.480 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.528 -8.502 -12.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -13.205 -5.209 -13.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.541 -7.145 -15.055 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.295 -5.543 -15.582 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.732 -11.425 -12.843 1.00 0.00 N ATOM 1214 CA VAL A 75 -10.954 -11.680 -14.256 1.00 0.00 C ATOM 1215 C VAL A 75 -11.765 -12.968 -14.416 1.00 0.00 C ATOM 1216 O VAL A 75 -12.665 -13.039 -15.251 1.00 0.00 O ATOM 1217 CB VAL A 75 -9.616 -11.721 -14.997 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -9.778 -12.338 -16.388 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -8.995 -10.325 -15.085 1.00 0.00 C ATOM 0 H VAL A 75 -9.803 -11.676 -12.505 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.534 -10.872 -14.703 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.937 -12.355 -14.427 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.812 -12.355 -16.893 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.156 -13.356 -16.293 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.482 -11.743 -16.970 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.045 -10.382 -15.616 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.671 -9.659 -15.621 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.826 -9.938 -14.080 1.00 0.00 H new ATOM 1229 N LYS A 76 -11.417 -13.953 -13.602 1.00 0.00 N ATOM 1230 CA LYS A 76 -12.102 -15.234 -13.642 1.00 0.00 C ATOM 1231 C LYS A 76 -13.598 -15.015 -13.413 1.00 0.00 C ATOM 1232 O LYS A 76 -14.414 -15.868 -13.760 1.00 0.00 O ATOM 1233 CB LYS A 76 -11.465 -16.214 -12.654 1.00 0.00 C ATOM 1234 CG LYS A 76 -10.362 -17.032 -13.328 1.00 0.00 C ATOM 1235 CD LYS A 76 -9.542 -17.805 -12.292 1.00 0.00 C ATOM 1236 CE LYS A 76 -8.589 -16.874 -11.541 1.00 0.00 C ATOM 1237 NZ LYS A 76 -7.221 -17.438 -11.523 1.00 0.00 N ATOM 0 H LYS A 76 -10.670 -13.890 -12.911 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.994 -15.693 -14.625 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.051 -15.665 -11.808 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.228 -16.883 -12.257 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.804 -17.729 -14.040 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.707 -16.370 -13.895 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.212 -18.294 -11.584 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.973 -18.592 -12.787 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.578 -15.894 -12.017 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.942 -16.729 -10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.528 -16.666 -11.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.120 -18.078 -10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.052 -17.967 -12.402 1.00 0.00 H new ATOM 1251 N SER A 77 -13.913 -13.868 -12.829 1.00 0.00 N ATOM 1252 CA SER A 77 -15.298 -13.526 -12.549 1.00 0.00 C ATOM 1253 C SER A 77 -15.865 -12.671 -13.684 1.00 0.00 C ATOM 1254 O SER A 77 -17.064 -12.711 -13.956 1.00 0.00 O ATOM 1255 CB SER A 77 -15.424 -12.789 -11.215 1.00 0.00 C ATOM 1256 OG SER A 77 -16.687 -13.016 -10.596 1.00 0.00 O ATOM 0 H SER A 77 -13.233 -13.164 -12.542 1.00 0.00 H new ATOM 0 HA SER A 77 -15.871 -14.450 -12.478 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.628 -13.114 -10.545 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.287 -11.720 -11.377 1.00 0.00 H new ATOM 0 HG SER A 77 -16.727 -12.529 -9.746 1.00 0.00 H new ATOM 1262 N LEU A 78 -14.977 -11.918 -14.316 1.00 0.00 N ATOM 1263 CA LEU A 78 -15.375 -11.055 -15.415 1.00 0.00 C ATOM 1264 C LEU A 78 -16.217 -11.857 -16.409 1.00 0.00 C ATOM 1265 O LEU A 78 -15.781 -12.896 -16.902 1.00 0.00 O ATOM 1266 CB LEU A 78 -14.149 -10.390 -16.045 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.589 -9.175 -15.302 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.524 -8.464 -16.138 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -14.713 -8.226 -14.878 1.00 0.00 C ATOM 0 H LEU A 78 -13.983 -11.888 -14.088 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.001 -10.240 -15.051 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.359 -11.136 -16.129 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.407 -10.084 -17.059 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.102 -9.526 -14.392 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.143 -7.604 -15.587 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.706 -9.153 -16.347 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.963 -8.127 -17.077 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.288 -7.371 -14.352 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.249 -7.879 -15.761 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.403 -8.751 -14.218 1.00 0.00 H new ATOM 1281 N SER A 79 -17.410 -11.345 -16.673 1.00 0.00 N ATOM 1282 CA SER A 79 -18.318 -12.000 -17.598 1.00 0.00 C ATOM 1283 C SER A 79 -17.618 -12.239 -18.937 1.00 0.00 C ATOM 1284 O SER A 79 -16.459 -11.865 -19.111 1.00 0.00 O ATOM 1285 CB SER A 79 -19.588 -11.172 -17.804 1.00 0.00 C ATOM 1286 OG SER A 79 -19.602 -10.521 -19.072 1.00 0.00 O ATOM 0 H SER A 79 -17.769 -10.483 -16.262 1.00 0.00 H new ATOM 0 HA SER A 79 -18.608 -12.959 -17.170 1.00 0.00 H new ATOM 0 HB2 SER A 79 -20.461 -11.820 -17.720 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.667 -10.426 -17.013 1.00 0.00 H new ATOM 0 HG SER A 79 -20.430 -10.004 -19.165 1.00 0.00 H new ATOM 1292 N PRO A 80 -18.370 -12.878 -19.874 1.00 0.00 N ATOM 1293 CA PRO A 80 -17.833 -13.171 -21.192 1.00 0.00 C ATOM 1294 C PRO A 80 -17.772 -11.907 -22.052 1.00 0.00 C ATOM 1295 O PRO A 80 -17.092 -11.882 -23.077 1.00 0.00 O ATOM 1296 CB PRO A 80 -18.755 -14.235 -21.764 1.00 0.00 C ATOM 1297 CG PRO A 80 -20.033 -14.164 -20.944 1.00 0.00 C ATOM 1298 CD PRO A 80 -19.746 -13.335 -19.703 1.00 0.00 C ATOM 0 HA PRO A 80 -16.805 -13.531 -21.157 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.957 -14.050 -22.819 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.301 -15.223 -21.695 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.836 -13.713 -21.527 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -20.364 -15.165 -20.666 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.435 -12.495 -19.620 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.856 -13.929 -18.796 1.00 0.00 H new ATOM 1306 N GLN A 81 -18.492 -10.889 -21.604 1.00 0.00 N ATOM 1307 CA GLN A 81 -18.528 -9.626 -22.321 1.00 0.00 C ATOM 1308 C GLN A 81 -17.465 -8.673 -21.771 1.00 0.00 C ATOM 1309 O GLN A 81 -16.818 -7.953 -22.530 1.00 0.00 O ATOM 1310 CB GLN A 81 -19.920 -8.994 -22.249 1.00 0.00 C ATOM 1311 CG GLN A 81 -20.978 -9.933 -22.831 1.00 0.00 C ATOM 1312 CD GLN A 81 -22.336 -9.713 -22.160 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -22.501 -8.865 -21.298 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -23.295 -10.521 -22.601 1.00 0.00 N ATOM 0 H GLN A 81 -19.055 -10.913 -20.754 1.00 0.00 H new ATOM 0 HA GLN A 81 -18.307 -9.820 -23.370 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.165 -8.762 -21.213 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.924 -8.051 -22.796 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -21.067 -9.765 -23.904 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.665 -10.968 -22.695 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -23.089 -11.209 -23.325 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -24.237 -10.453 -22.215 1.00 0.00 H new ATOM 1323 N ASP A 82 -17.316 -8.700 -20.454 1.00 0.00 N ATOM 1324 CA ASP A 82 -16.342 -7.847 -19.794 1.00 0.00 C ATOM 1325 C ASP A 82 -14.932 -8.333 -20.134 1.00 0.00 C ATOM 1326 O ASP A 82 -14.117 -7.570 -20.650 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.507 -7.899 -18.274 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.619 -7.011 -17.713 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -18.513 -6.650 -18.509 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -17.552 -6.714 -16.500 1.00 0.00 O ATOM 0 H ASP A 82 -17.853 -9.299 -19.827 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.498 -6.825 -20.139 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.703 -8.930 -17.980 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.563 -7.610 -17.811 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.688 -9.599 -19.831 1.00 0.00 N ATOM 1336 CA ARG A 83 -13.390 -10.196 -20.098 1.00 0.00 C ATOM 1337 C ARG A 83 -12.996 -9.976 -21.560 1.00 0.00 C ATOM 1338 O ARG A 83 -11.836 -9.695 -21.858 1.00 0.00 O ATOM 1339 CB ARG A 83 -13.402 -11.697 -19.800 1.00 0.00 C ATOM 1340 CG ARG A 83 -12.054 -12.155 -19.241 1.00 0.00 C ATOM 1341 CD ARG A 83 -12.212 -13.423 -18.398 1.00 0.00 C ATOM 1342 NE ARG A 83 -11.387 -14.513 -18.963 1.00 0.00 N ATOM 1343 CZ ARG A 83 -11.702 -15.197 -20.072 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -12.827 -14.907 -20.740 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -10.894 -16.170 -20.511 1.00 0.00 N ATOM 0 H ARG A 83 -15.367 -10.228 -19.403 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.662 -9.714 -19.445 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.192 -11.923 -19.084 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.629 -12.251 -20.711 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.361 -12.343 -20.061 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.620 -11.361 -18.633 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.912 -13.225 -17.369 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.259 -13.724 -18.372 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.524 -14.760 -18.478 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.443 -14.166 -20.404 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.067 -15.427 -21.584 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.038 -16.391 -20.002 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.134 -16.690 -21.355 1.00 0.00 H new ATOM 1359 N ALA A 84 -13.983 -10.113 -22.433 1.00 0.00 N ATOM 1360 CA ALA A 84 -13.753 -9.933 -23.856 1.00 0.00 C ATOM 1361 C ALA A 84 -13.126 -8.558 -24.097 1.00 0.00 C ATOM 1362 O ALA A 84 -12.428 -8.356 -25.090 1.00 0.00 O ATOM 1363 CB ALA A 84 -15.071 -10.112 -24.613 1.00 0.00 C ATOM 0 H ALA A 84 -14.944 -10.347 -22.182 1.00 0.00 H new ATOM 0 HA ALA A 84 -13.057 -10.684 -24.230 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.899 -9.977 -25.681 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.461 -11.114 -24.432 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -15.793 -9.373 -24.266 1.00 0.00 H new ATOM 1369 N ALA A 85 -13.395 -7.649 -23.172 1.00 0.00 N ATOM 1370 CA ALA A 85 -12.866 -6.300 -23.271 1.00 0.00 C ATOM 1371 C ALA A 85 -11.519 -6.231 -22.548 1.00 0.00 C ATOM 1372 O ALA A 85 -10.497 -5.927 -23.160 1.00 0.00 O ATOM 1373 CB ALA A 85 -13.884 -5.309 -22.704 1.00 0.00 C ATOM 0 H ALA A 85 -13.973 -7.821 -22.349 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.695 -6.030 -24.313 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.487 -4.297 -22.778 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.813 -5.377 -23.271 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.079 -5.546 -21.658 1.00 0.00 H new ATOM 1379 N TYR A 86 -11.563 -6.518 -21.255 1.00 0.00 N ATOM 1380 CA TYR A 86 -10.359 -6.493 -20.442 1.00 0.00 C ATOM 1381 C TYR A 86 -9.168 -7.072 -21.207 1.00 0.00 C ATOM 1382 O TYR A 86 -8.078 -6.502 -21.191 1.00 0.00 O ATOM 1383 CB TYR A 86 -10.651 -7.379 -19.229 1.00 0.00 C ATOM 1384 CG TYR A 86 -9.398 -7.858 -18.493 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -8.680 -8.932 -18.979 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -8.985 -7.216 -17.343 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -7.501 -9.383 -18.286 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.806 -7.667 -16.650 1.00 0.00 C ATOM 1389 CZ TYR A 86 -7.122 -8.728 -17.156 1.00 0.00 C ATOM 1390 OH TYR A 86 -6.009 -9.155 -16.502 1.00 0.00 O ATOM 0 H TYR A 86 -12.413 -6.769 -20.751 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.106 -5.470 -20.162 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.281 -6.827 -18.532 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.223 -8.248 -19.556 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -9.002 -9.434 -19.879 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.546 -6.375 -16.963 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.931 -10.222 -18.655 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.473 -7.174 -15.749 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.858 -8.594 -15.713 1.00 0.00 H new ATOM 1400 N LYS A 87 -9.415 -8.198 -21.859 1.00 0.00 N ATOM 1401 CA LYS A 87 -8.377 -8.861 -22.629 1.00 0.00 C ATOM 1402 C LYS A 87 -7.851 -7.903 -23.699 1.00 0.00 C ATOM 1403 O LYS A 87 -6.641 -7.769 -23.878 1.00 0.00 O ATOM 1404 CB LYS A 87 -8.891 -10.188 -23.192 1.00 0.00 C ATOM 1405 CG LYS A 87 -8.264 -11.375 -22.457 1.00 0.00 C ATOM 1406 CD LYS A 87 -7.209 -12.062 -23.327 1.00 0.00 C ATOM 1407 CE LYS A 87 -7.591 -13.518 -23.604 1.00 0.00 C ATOM 1408 NZ LYS A 87 -6.419 -14.276 -24.095 1.00 0.00 N ATOM 0 H LYS A 87 -10.320 -8.669 -21.870 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.534 -9.118 -21.988 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.976 -10.230 -23.099 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.659 -10.250 -24.255 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.808 -11.033 -21.528 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.040 -12.091 -22.186 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.103 -11.524 -24.269 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.241 -12.025 -22.828 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.975 -13.979 -22.694 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.392 -13.556 -24.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.695 -15.262 -24.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.071 -13.845 -24.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.666 -14.255 -23.377 1.00 0.00 H new ATOM 1422 N GLU A 88 -8.785 -7.259 -24.383 1.00 0.00 N ATOM 1423 CA GLU A 88 -8.431 -6.317 -25.431 1.00 0.00 C ATOM 1424 C GLU A 88 -7.239 -5.462 -24.995 1.00 0.00 C ATOM 1425 O GLU A 88 -6.360 -5.159 -25.800 1.00 0.00 O ATOM 1426 CB GLU A 88 -9.627 -5.440 -25.807 1.00 0.00 C ATOM 1427 CG GLU A 88 -9.573 -4.097 -25.076 1.00 0.00 C ATOM 1428 CD GLU A 88 -10.890 -3.334 -25.233 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -11.251 -3.059 -26.398 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -11.506 -3.042 -24.185 1.00 0.00 O ATOM 0 H GLU A 88 -9.787 -7.371 -24.232 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.143 -6.881 -26.318 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.635 -5.272 -26.884 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.554 -5.957 -25.558 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.368 -4.263 -24.018 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.752 -3.497 -25.469 1.00 0.00 H new ATOM 1437 N TYR A 89 -7.248 -5.097 -23.721 1.00 0.00 N ATOM 1438 CA TYR A 89 -6.179 -4.283 -23.168 1.00 0.00 C ATOM 1439 C TYR A 89 -4.953 -5.137 -22.841 1.00 0.00 C ATOM 1440 O TYR A 89 -3.819 -4.688 -23.000 1.00 0.00 O ATOM 1441 CB TYR A 89 -6.731 -3.686 -21.872 1.00 0.00 C ATOM 1442 CG TYR A 89 -5.653 -3.299 -20.857 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -4.964 -2.112 -21.001 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -5.370 -4.137 -19.798 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -3.950 -1.748 -20.046 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -4.356 -3.773 -18.843 1.00 0.00 C ATOM 1447 CZ TYR A 89 -3.696 -2.596 -19.014 1.00 0.00 C ATOM 1448 OH TYR A 89 -2.738 -2.252 -18.112 1.00 0.00 O ATOM 0 H TYR A 89 -7.979 -5.350 -23.056 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.870 -3.519 -23.881 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.322 -2.803 -22.114 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.408 -4.406 -21.412 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.185 -1.456 -21.830 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.909 -5.066 -19.685 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.403 -0.822 -20.147 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.125 -4.420 -18.010 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.665 -2.951 -17.429 1.00 0.00 H new ATOM 1458 N ILE A 90 -5.222 -6.354 -22.390 1.00 0.00 N ATOM 1459 CA ILE A 90 -4.154 -7.275 -22.039 1.00 0.00 C ATOM 1460 C ILE A 90 -3.177 -7.387 -23.210 1.00 0.00 C ATOM 1461 O ILE A 90 -2.014 -7.002 -23.093 1.00 0.00 O ATOM 1462 CB ILE A 90 -4.732 -8.618 -21.589 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -5.657 -8.442 -20.383 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.618 -9.630 -21.314 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -4.854 -8.375 -19.082 1.00 0.00 C ATOM 0 H ILE A 90 -6.164 -6.723 -22.260 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.588 -6.896 -21.188 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.337 -9.018 -22.402 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.244 -7.531 -20.500 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.362 -9.272 -20.337 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.056 -10.576 -20.996 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.037 -9.787 -22.223 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.966 -9.249 -20.528 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.535 -8.250 -18.240 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.287 -9.298 -18.956 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.167 -7.530 -19.122 1.00 0.00 H new