USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 622 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 23 CYS SG : rot 155:sc= -1.28 USER MOD Set 1.2: A 26 CYS SG : rot -66:sc= 0.00286 USER MOD Set 1.3: A 28 SER OG : rot 77:sc= 1.02 USER MOD Set 1.4: A 54 ASN : amide:sc= -4.19! C(o=-11!,f=-13!) USER MOD Set 1.5: A 55 HIS : no HE2:sc= -4.94! C(o=-11!,f=-13!) USER MOD Set 1.6: A 58 CYS SG : rot -167:sc= -1.29 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 60:sc= 1.03 USER MOD Single : A 17 LYS NZ :NH3+ -119:sc=-0.00341 (180deg=-0.701) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.609 USER MOD Single : A 21 SER OG : rot 150:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 130:sc= -0.0226 USER MOD Single : A 27 LYS NZ :NH3+ 137:sc= -0.136 (180deg=-1.14) USER MOD Single : A 31 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.034) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.622 K(o=0.62,f=-0.0036) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -160:sc=-0.00284 (180deg=-0.0634) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.742 X(o=-0.74,f=-1.2) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc=-0.00916 USER MOD Single : A 77 SER OG : rot -10:sc= 0.341! USER MOD Single : A 83 GLN : amide:sc= 0.851 K(o=0.85,f=-0.95) USER MOD Single : A 84 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.25) USER MOD Single : A 85 LYS NZ :NH3+ -116:sc= 0.541 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 142:sc= -1.52! (180deg=-3.42!) USER MOD Single : A 89 TYR OH : rot 8:sc= -0.33 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 9 9.441 11.663 4.039 1.00 0.00 N ATOM 84 CA LYS A 9 9.685 10.687 2.984 1.00 0.00 C ATOM 85 C LYS A 9 8.654 10.822 1.868 1.00 0.00 C ATOM 86 O LYS A 9 7.504 11.198 2.096 1.00 0.00 O ATOM 87 CB LYS A 9 9.649 9.268 3.556 1.00 0.00 C ATOM 88 CG LYS A 9 11.002 8.769 4.033 1.00 0.00 C ATOM 89 CD LYS A 9 10.862 7.791 5.187 1.00 0.00 C ATOM 90 CE LYS A 9 12.194 7.553 5.882 1.00 0.00 C ATOM 91 NZ LYS A 9 12.237 6.229 6.561 1.00 0.00 N ATOM 0 HA LYS A 9 10.673 10.880 2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.946 9.239 4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.268 8.588 2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.524 8.286 3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.613 9.616 4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.139 8.176 5.906 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.469 6.844 4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.001 7.613 5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.368 8.342 6.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.161 6.105 7.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.484 6.181 7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.097 5.474 5.859 1.00 0.00 H new ATOM 105 N PRO A 10 9.072 10.509 0.633 1.00 0.00 N ATOM 106 CA PRO A 10 8.200 10.586 -0.542 1.00 0.00 C ATOM 107 C PRO A 10 7.116 9.514 -0.531 1.00 0.00 C ATOM 108 O PRO A 10 5.953 9.791 -0.823 1.00 0.00 O ATOM 109 CB PRO A 10 9.160 10.364 -1.713 1.00 0.00 C ATOM 110 CG PRO A 10 10.290 9.585 -1.133 1.00 0.00 C ATOM 111 CD PRO A 10 10.430 10.054 0.289 1.00 0.00 C ATOM 0 HA PRO A 10 7.662 11.533 -0.588 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.677 9.818 -2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.504 11.311 -2.128 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.087 8.515 -1.173 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.210 9.756 -1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.763 9.251 0.946 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.158 10.860 0.376 1.00 0.00 H new ATOM 119 N TRP A 11 7.505 8.290 -0.191 1.00 0.00 N ATOM 120 CA TRP A 11 6.565 7.176 -0.142 1.00 0.00 C ATOM 121 C TRP A 11 6.301 6.750 1.298 1.00 0.00 C ATOM 122 O TRP A 11 7.166 6.885 2.164 1.00 0.00 O ATOM 123 CB TRP A 11 7.103 5.992 -0.947 1.00 0.00 C ATOM 124 CG TRP A 11 7.163 6.255 -2.421 1.00 0.00 C ATOM 125 CD1 TRP A 11 8.229 6.739 -3.125 1.00 0.00 C ATOM 126 CD2 TRP A 11 6.113 6.048 -3.372 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.904 6.847 -4.455 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.612 6.428 -4.633 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.800 5.578 -3.281 1.00 0.00 C ATOM 130 CZ2 TRP A 11 5.842 6.353 -5.791 1.00 0.00 C ATOM 131 CZ3 TRP A 11 4.038 5.503 -4.431 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.561 5.888 -5.673 1.00 0.00 C ATOM 0 H TRP A 11 8.464 8.044 0.055 1.00 0.00 H new ATOM 0 HA TRP A 11 5.624 7.507 -0.582 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.102 5.742 -0.589 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.472 5.122 -0.766 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.187 6.999 -2.698 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.524 7.185 -5.191 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.388 5.279 -2.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.242 6.652 -6.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.022 5.142 -4.372 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.941 5.816 -6.554 1.00 0.00 H new ATOM 143 N ARG A 12 5.102 6.234 1.548 1.00 0.00 N ATOM 144 CA ARG A 12 4.726 5.788 2.884 1.00 0.00 C ATOM 145 C ARG A 12 4.255 4.337 2.861 1.00 0.00 C ATOM 146 O ARG A 12 3.768 3.848 1.842 1.00 0.00 O ATOM 147 CB ARG A 12 3.623 6.684 3.451 1.00 0.00 C ATOM 148 CG ARG A 12 2.298 6.558 2.717 1.00 0.00 C ATOM 149 CD ARG A 12 1.129 6.955 3.605 1.00 0.00 C ATOM 150 NE ARG A 12 1.259 8.322 4.102 1.00 0.00 N ATOM 151 CZ ARG A 12 0.676 8.758 5.213 1.00 0.00 C ATOM 152 NH1 ARG A 12 -0.072 7.939 5.939 1.00 0.00 N ATOM 153 NH2 ARG A 12 0.842 10.017 5.601 1.00 0.00 N ATOM 0 H ARG A 12 4.375 6.115 0.843 1.00 0.00 H new ATOM 0 HA ARG A 12 5.606 5.856 3.524 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.471 6.438 4.502 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.953 7.722 3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.312 7.189 1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.166 5.531 2.377 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.199 6.860 3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.064 6.267 4.448 1.00 0.00 H new ATOM 0 HE ARG A 12 1.828 8.978 3.567 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.201 6.971 5.645 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.518 8.277 6.792 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.418 10.650 5.046 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.394 10.351 6.454 1.00 0.00 H new ATOM 167 N ALA A 13 4.405 3.654 3.991 1.00 0.00 N ATOM 168 CA ALA A 13 3.994 2.260 4.101 1.00 0.00 C ATOM 169 C ALA A 13 3.189 2.023 5.374 1.00 0.00 C ATOM 170 O ALA A 13 3.655 2.310 6.476 1.00 0.00 O ATOM 171 CB ALA A 13 5.211 1.347 4.067 1.00 0.00 C ATOM 0 H ALA A 13 4.808 4.043 4.843 1.00 0.00 H new ATOM 0 HA ALA A 13 3.354 2.028 3.250 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.889 0.309 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.745 1.487 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.871 1.590 4.899 1.00 0.00 H new ATOM 177 N GLU A 14 1.977 1.499 5.213 1.00 0.00 N ATOM 178 CA GLU A 14 1.107 1.227 6.351 1.00 0.00 C ATOM 179 C GLU A 14 -0.147 0.478 5.909 1.00 0.00 C ATOM 180 O GLU A 14 -0.638 0.669 4.796 1.00 0.00 O ATOM 181 CB GLU A 14 0.716 2.532 7.047 1.00 0.00 C ATOM 182 CG GLU A 14 -0.099 3.469 6.171 1.00 0.00 C ATOM 183 CD GLU A 14 -0.378 4.800 6.842 1.00 0.00 C ATOM 184 OE1 GLU A 14 0.593 5.502 7.193 1.00 0.00 O ATOM 185 OE2 GLU A 14 -1.567 5.139 7.015 1.00 0.00 O ATOM 0 H GLU A 14 1.577 1.255 4.307 1.00 0.00 H new ATOM 0 HA GLU A 14 1.656 0.600 7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.144 2.298 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.621 3.046 7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.434 3.642 5.236 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.044 2.990 5.915 1.00 0.00 H new ATOM 192 N TYR A 15 -0.660 -0.376 6.788 1.00 0.00 N ATOM 193 CA TYR A 15 -1.855 -1.156 6.489 1.00 0.00 C ATOM 194 C TYR A 15 -3.115 -0.318 6.681 1.00 0.00 C ATOM 195 O TYR A 15 -3.347 0.237 7.755 1.00 0.00 O ATOM 196 CB TYR A 15 -1.914 -2.398 7.380 1.00 0.00 C ATOM 197 CG TYR A 15 -0.882 -3.446 7.028 1.00 0.00 C ATOM 198 CD1 TYR A 15 -1.128 -4.384 6.033 1.00 0.00 C ATOM 199 CD2 TYR A 15 0.338 -3.497 7.690 1.00 0.00 C ATOM 200 CE1 TYR A 15 -0.188 -5.344 5.709 1.00 0.00 C ATOM 201 CE2 TYR A 15 1.284 -4.452 7.371 1.00 0.00 C ATOM 202 CZ TYR A 15 1.017 -5.373 6.380 1.00 0.00 C ATOM 203 OH TYR A 15 1.956 -6.326 6.060 1.00 0.00 O ATOM 0 H TYR A 15 -0.267 -0.546 7.714 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.804 -1.467 5.446 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.774 -2.097 8.418 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.908 -2.840 7.307 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.069 -4.363 5.504 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.551 -2.778 8.467 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.396 -6.068 4.935 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.228 -4.477 7.895 1.00 0.00 H new ATOM 0 HH TYR A 15 2.206 -6.235 5.117 1.00 0.00 H new ATOM 213 N ALA A 16 -3.926 -0.231 5.632 1.00 0.00 N ATOM 214 CA ALA A 16 -5.164 0.536 5.684 1.00 0.00 C ATOM 215 C ALA A 16 -6.042 0.082 6.845 1.00 0.00 C ATOM 216 O ALA A 16 -6.227 -1.115 7.067 1.00 0.00 O ATOM 217 CB ALA A 16 -5.918 0.411 4.368 1.00 0.00 C ATOM 0 H ALA A 16 -3.747 -0.683 4.735 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.908 1.583 5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.841 0.989 4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.298 0.791 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.156 -0.636 4.183 1.00 0.00 H new ATOM 223 N LYS A 17 -6.582 1.045 7.584 1.00 0.00 N ATOM 224 CA LYS A 17 -7.442 0.746 8.723 1.00 0.00 C ATOM 225 C LYS A 17 -8.910 0.945 8.363 1.00 0.00 C ATOM 226 O LYS A 17 -9.735 1.245 9.226 1.00 0.00 O ATOM 227 CB LYS A 17 -7.073 1.633 9.914 1.00 0.00 C ATOM 228 CG LYS A 17 -5.817 1.183 10.641 1.00 0.00 C ATOM 229 CD LYS A 17 -5.489 2.101 11.807 1.00 0.00 C ATOM 230 CE LYS A 17 -6.155 1.632 13.091 1.00 0.00 C ATOM 231 NZ LYS A 17 -7.517 2.210 13.253 1.00 0.00 N ATOM 0 H LYS A 17 -6.439 2.041 7.414 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.291 -0.299 8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.934 2.656 9.565 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.905 1.647 10.618 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.951 0.164 11.005 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.979 1.164 9.944 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.409 2.139 11.949 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.816 3.115 11.576 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.220 0.544 13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.537 1.913 13.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.550 2.783 14.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.739 2.810 12.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.215 1.442 13.319 1.00 0.00 H new ATOM 245 N SER A 18 -9.230 0.775 7.084 1.00 0.00 N ATOM 246 CA SER A 18 -10.599 0.939 6.610 1.00 0.00 C ATOM 247 C SER A 18 -10.710 0.572 5.133 1.00 0.00 C ATOM 248 O SER A 18 -9.727 0.182 4.503 1.00 0.00 O ATOM 249 CB SER A 18 -11.067 2.379 6.825 1.00 0.00 C ATOM 250 OG SER A 18 -10.339 3.280 6.008 1.00 0.00 O ATOM 0 H SER A 18 -8.560 0.524 6.358 1.00 0.00 H new ATOM 0 HA SER A 18 -11.238 0.267 7.183 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.130 2.457 6.599 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.943 2.652 7.873 1.00 0.00 H new ATOM 0 HG SER A 18 -10.658 4.193 6.163 1.00 0.00 H new ATOM 256 N SER A 19 -11.915 0.700 4.587 1.00 0.00 N ATOM 257 CA SER A 19 -12.157 0.378 3.186 1.00 0.00 C ATOM 258 C SER A 19 -12.944 1.492 2.501 1.00 0.00 C ATOM 259 O SER A 19 -13.760 1.236 1.615 1.00 0.00 O ATOM 260 CB SER A 19 -12.917 -0.945 3.068 1.00 0.00 C ATOM 261 OG SER A 19 -12.391 -1.915 3.956 1.00 0.00 O ATOM 0 H SER A 19 -12.739 1.024 5.094 1.00 0.00 H new ATOM 0 HA SER A 19 -11.192 0.280 2.690 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.973 -0.782 3.286 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.856 -1.313 2.044 1.00 0.00 H new ATOM 0 HG SER A 19 -12.894 -2.751 3.863 1.00 0.00 H new ATOM 267 N ARG A 20 -12.692 2.728 2.918 1.00 0.00 N ATOM 268 CA ARG A 20 -13.377 3.882 2.346 1.00 0.00 C ATOM 269 C ARG A 20 -12.581 4.464 1.182 1.00 0.00 C ATOM 270 O ARG A 20 -13.155 4.955 0.210 1.00 0.00 O ATOM 271 CB ARG A 20 -13.594 4.954 3.416 1.00 0.00 C ATOM 272 CG ARG A 20 -14.674 4.597 4.425 1.00 0.00 C ATOM 273 CD ARG A 20 -16.063 4.701 3.815 1.00 0.00 C ATOM 274 NE ARG A 20 -17.084 4.110 4.676 1.00 0.00 N ATOM 275 CZ ARG A 20 -17.517 4.675 5.797 1.00 0.00 C ATOM 276 NH1 ARG A 20 -17.020 5.839 6.191 1.00 0.00 N ATOM 277 NH2 ARG A 20 -18.449 4.076 6.527 1.00 0.00 N ATOM 0 H ARG A 20 -12.019 2.957 3.650 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.345 3.550 1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.656 5.123 3.945 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.859 5.893 2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.511 3.583 4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.603 5.262 5.286 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.303 5.749 3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.072 4.201 2.846 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.487 3.214 4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.303 6.303 5.633 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.354 6.271 7.052 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -18.834 3.180 6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.781 4.511 7.388 1.00 0.00 H new ATOM 291 N SER A 21 -11.258 4.406 1.288 1.00 0.00 N ATOM 292 CA SER A 21 -10.383 4.931 0.246 1.00 0.00 C ATOM 293 C SER A 21 -10.418 4.041 -0.992 1.00 0.00 C ATOM 294 O SER A 21 -10.748 2.858 -0.910 1.00 0.00 O ATOM 295 CB SER A 21 -8.949 5.047 0.765 1.00 0.00 C ATOM 296 OG SER A 21 -8.290 3.793 0.729 1.00 0.00 O ATOM 0 H SER A 21 -10.768 4.001 2.085 1.00 0.00 H new ATOM 0 HA SER A 21 -10.742 5.922 -0.031 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.398 5.768 0.162 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.958 5.427 1.787 1.00 0.00 H new ATOM 0 HG SER A 21 -7.330 3.932 0.590 1.00 0.00 H new ATOM 302 N SER A 22 -10.074 4.619 -2.139 1.00 0.00 N ATOM 303 CA SER A 22 -10.069 3.879 -3.396 1.00 0.00 C ATOM 304 C SER A 22 -8.814 4.193 -4.205 1.00 0.00 C ATOM 305 O SER A 22 -8.461 5.356 -4.399 1.00 0.00 O ATOM 306 CB SER A 22 -11.316 4.217 -4.215 1.00 0.00 C ATOM 307 OG SER A 22 -12.490 4.096 -3.431 1.00 0.00 O ATOM 0 H SER A 22 -9.795 5.597 -2.224 1.00 0.00 H new ATOM 0 HA SER A 22 -10.073 2.814 -3.164 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.236 5.233 -4.602 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.380 3.552 -5.076 1.00 0.00 H new ATOM 0 HG SER A 22 -13.273 4.319 -3.977 1.00 0.00 H new ATOM 313 N CYS A 23 -8.144 3.146 -4.675 1.00 0.00 N ATOM 314 CA CYS A 23 -6.928 3.307 -5.463 1.00 0.00 C ATOM 315 C CYS A 23 -7.160 4.258 -6.633 1.00 0.00 C ATOM 316 O CYS A 23 -8.300 4.534 -7.007 1.00 0.00 O ATOM 317 CB CYS A 23 -6.449 1.950 -5.982 1.00 0.00 C ATOM 318 SG CYS A 23 -4.843 2.007 -6.841 1.00 0.00 S ATOM 0 H CYS A 23 -8.423 2.177 -4.524 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.160 3.734 -4.818 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.376 1.257 -5.143 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.199 1.548 -6.663 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.271 0.842 -6.769 1.00 0.00 H new ATOM 323 N LYS A 24 -6.071 4.757 -7.208 1.00 0.00 N ATOM 324 CA LYS A 24 -6.153 5.677 -8.336 1.00 0.00 C ATOM 325 C LYS A 24 -5.642 5.018 -9.613 1.00 0.00 C ATOM 326 O LYS A 24 -6.112 5.318 -10.711 1.00 0.00 O ATOM 327 CB LYS A 24 -5.348 6.946 -8.047 1.00 0.00 C ATOM 328 CG LYS A 24 -5.768 7.654 -6.770 1.00 0.00 C ATOM 329 CD LYS A 24 -6.866 8.671 -7.032 1.00 0.00 C ATOM 330 CE LYS A 24 -6.792 9.834 -6.055 1.00 0.00 C ATOM 331 NZ LYS A 24 -7.905 10.802 -6.260 1.00 0.00 N ATOM 0 H LYS A 24 -5.120 4.539 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.200 5.944 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.291 6.688 -7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.455 7.633 -8.886 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.117 6.920 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.905 8.154 -6.329 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.781 9.045 -8.052 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.839 8.187 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.825 9.453 -5.034 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.838 10.347 -6.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.819 11.580 -5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.859 11.185 -7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.815 10.318 -6.122 1.00 0.00 H new ATOM 345 N THR A 25 -4.676 4.116 -9.463 1.00 0.00 N ATOM 346 CA THR A 25 -4.102 3.415 -10.604 1.00 0.00 C ATOM 347 C THR A 25 -5.117 2.471 -11.238 1.00 0.00 C ATOM 348 O THR A 25 -5.163 2.321 -12.459 1.00 0.00 O ATOM 349 CB THR A 25 -2.854 2.609 -10.197 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.726 3.482 -10.073 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.552 1.525 -11.221 1.00 0.00 C ATOM 0 H THR A 25 -4.275 3.854 -8.562 1.00 0.00 H new ATOM 0 HA THR A 25 -3.815 4.176 -11.330 1.00 0.00 H new ATOM 0 HB THR A 25 -3.053 2.134 -9.236 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.283 3.324 -9.213 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.667 0.969 -10.912 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.401 0.845 -11.292 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.372 1.983 -12.193 1.00 0.00 H new ATOM 359 N CYS A 26 -5.932 1.837 -10.401 1.00 0.00 N ATOM 360 CA CYS A 26 -6.948 0.908 -10.879 1.00 0.00 C ATOM 361 C CYS A 26 -8.350 1.451 -10.616 1.00 0.00 C ATOM 362 O CYS A 26 -9.320 1.028 -11.243 1.00 0.00 O ATOM 363 CB CYS A 26 -6.782 -0.455 -10.203 1.00 0.00 C ATOM 364 SG CYS A 26 -7.149 -0.449 -8.419 1.00 0.00 S ATOM 0 H CYS A 26 -5.908 1.950 -9.388 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.819 0.791 -11.955 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.436 -1.175 -10.695 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.759 -0.800 -10.352 1.00 0.00 H new ATOM 0 HG CYS A 26 -6.271 0.282 -7.798 1.00 0.00 H new ATOM 369 N LYS A 27 -8.447 2.393 -9.683 1.00 0.00 N ATOM 370 CA LYS A 27 -9.728 2.997 -9.336 1.00 0.00 C ATOM 371 C LYS A 27 -10.615 2.002 -8.594 1.00 0.00 C ATOM 372 O LYS A 27 -11.812 1.901 -8.864 1.00 0.00 O ATOM 373 CB LYS A 27 -10.441 3.490 -10.597 1.00 0.00 C ATOM 374 CG LYS A 27 -9.527 4.221 -11.565 1.00 0.00 C ATOM 375 CD LYS A 27 -9.241 5.639 -11.101 1.00 0.00 C ATOM 376 CE LYS A 27 -10.276 6.619 -11.633 1.00 0.00 C ATOM 377 NZ LYS A 27 -11.466 6.706 -10.742 1.00 0.00 N ATOM 0 H LYS A 27 -7.653 2.754 -9.154 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.535 3.846 -8.680 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.890 2.638 -11.107 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.256 4.154 -10.308 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.589 3.674 -11.665 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.988 4.247 -12.553 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.233 5.672 -10.012 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.248 5.939 -11.436 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.824 7.606 -11.733 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.590 6.310 -12.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.747 7.702 -10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.252 6.168 -11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.231 6.310 -9.810 1.00 0.00 H new ATOM 391 N SER A 28 -10.021 1.270 -7.657 1.00 0.00 N ATOM 392 CA SER A 28 -10.757 0.282 -6.877 1.00 0.00 C ATOM 393 C SER A 28 -10.720 0.625 -5.391 1.00 0.00 C ATOM 394 O SER A 28 -10.077 1.591 -4.981 1.00 0.00 O ATOM 395 CB SER A 28 -10.176 -1.115 -7.105 1.00 0.00 C ATOM 396 OG SER A 28 -9.864 -1.321 -8.472 1.00 0.00 O ATOM 0 H SER A 28 -9.032 1.343 -7.420 1.00 0.00 H new ATOM 0 HA SER A 28 -11.795 0.294 -7.209 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.278 -1.242 -6.501 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.891 -1.868 -6.775 1.00 0.00 H new ATOM 0 HG SER A 28 -9.034 -0.849 -8.693 1.00 0.00 H new ATOM 402 N VAL A 29 -11.415 -0.175 -4.588 1.00 0.00 N ATOM 403 CA VAL A 29 -11.461 0.041 -3.147 1.00 0.00 C ATOM 404 C VAL A 29 -10.324 -0.691 -2.444 1.00 0.00 C ATOM 405 O VAL A 29 -10.014 -1.837 -2.772 1.00 0.00 O ATOM 406 CB VAL A 29 -12.803 -0.427 -2.552 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.614 -0.909 -1.122 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.832 0.692 -2.614 1.00 0.00 C ATOM 0 H VAL A 29 -11.954 -0.978 -4.911 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.354 1.113 -2.985 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.172 -1.263 -3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.572 -1.235 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.912 -1.743 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.222 -0.095 -0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.774 0.344 -2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.472 1.549 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.988 0.986 -3.652 1.00 0.00 H new ATOM 418 N ILE A 30 -9.705 -0.022 -1.477 1.00 0.00 N ATOM 419 CA ILE A 30 -8.603 -0.610 -0.727 1.00 0.00 C ATOM 420 C ILE A 30 -9.061 -1.073 0.652 1.00 0.00 C ATOM 421 O ILE A 30 -9.001 -0.320 1.623 1.00 0.00 O ATOM 422 CB ILE A 30 -7.440 0.386 -0.561 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.904 0.811 -1.929 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.332 -0.228 0.282 1.00 0.00 C ATOM 425 CD1 ILE A 30 -6.197 2.148 -1.913 1.00 0.00 C ATOM 0 H ILE A 30 -9.948 0.928 -1.195 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.256 -1.470 -1.300 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.811 1.272 -0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.215 0.049 -2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.732 0.856 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.518 0.488 0.390 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.723 -0.484 1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.960 -1.129 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.844 2.385 -2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.889 2.922 -1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.348 2.103 -1.231 1.00 0.00 H new ATOM 437 N ASN A 31 -9.517 -2.319 0.730 1.00 0.00 N ATOM 438 CA ASN A 31 -9.985 -2.884 1.990 1.00 0.00 C ATOM 439 C ASN A 31 -8.892 -2.823 3.053 1.00 0.00 C ATOM 440 O ASN A 31 -7.711 -3.009 2.757 1.00 0.00 O ATOM 441 CB ASN A 31 -10.435 -4.333 1.788 1.00 0.00 C ATOM 442 CG ASN A 31 -11.511 -4.461 0.728 1.00 0.00 C ATOM 443 OD1 ASN A 31 -12.697 -4.280 1.005 1.00 0.00 O ATOM 444 ND2 ASN A 31 -11.101 -4.776 -0.496 1.00 0.00 N ATOM 0 H ASN A 31 -9.572 -2.956 -0.064 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.834 -2.291 2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.576 -4.941 1.505 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.809 -4.729 2.732 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.779 -4.877 -1.251 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.108 -4.917 -0.681 1.00 0.00 H new ATOM 451 N LYS A 32 -9.293 -2.562 4.292 1.00 0.00 N ATOM 452 CA LYS A 32 -8.350 -2.477 5.401 1.00 0.00 C ATOM 453 C LYS A 32 -7.572 -3.780 5.553 1.00 0.00 C ATOM 454 O LYS A 32 -7.972 -4.817 5.025 1.00 0.00 O ATOM 455 CB LYS A 32 -9.088 -2.156 6.702 1.00 0.00 C ATOM 456 CG LYS A 32 -9.718 -3.372 7.360 1.00 0.00 C ATOM 457 CD LYS A 32 -11.056 -3.032 7.994 1.00 0.00 C ATOM 458 CE LYS A 32 -10.879 -2.409 9.370 1.00 0.00 C ATOM 459 NZ LYS A 32 -10.798 -3.441 10.440 1.00 0.00 N ATOM 0 H LYS A 32 -10.266 -2.405 4.554 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.644 -1.675 5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.390 -1.695 7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.866 -1.421 6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.855 -4.158 6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.044 -3.766 8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.601 -2.343 7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.660 -3.935 8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.973 -1.803 9.380 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.713 -1.738 9.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.678 -2.976 11.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.673 -4.003 10.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.987 -4.066 10.259 1.00 0.00 H new ATOM 473 N GLU A 33 -6.460 -3.719 6.279 1.00 0.00 N ATOM 474 CA GLU A 33 -5.627 -4.896 6.501 1.00 0.00 C ATOM 475 C GLU A 33 -4.857 -5.263 5.236 1.00 0.00 C ATOM 476 O GLU A 33 -4.475 -6.416 5.042 1.00 0.00 O ATOM 477 CB GLU A 33 -6.487 -6.079 6.950 1.00 0.00 C ATOM 478 CG GLU A 33 -7.594 -5.695 7.917 1.00 0.00 C ATOM 479 CD GLU A 33 -7.909 -6.797 8.910 1.00 0.00 C ATOM 480 OE1 GLU A 33 -8.698 -7.701 8.562 1.00 0.00 O ATOM 481 OE2 GLU A 33 -7.368 -6.756 10.034 1.00 0.00 O ATOM 0 H GLU A 33 -6.115 -2.868 6.723 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.909 -4.660 7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.930 -6.549 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.847 -6.824 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.302 -4.795 8.459 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.495 -5.450 7.354 1.00 0.00 H new ATOM 488 N ASN A 34 -4.633 -4.273 4.378 1.00 0.00 N ATOM 489 CA ASN A 34 -3.910 -4.491 3.131 1.00 0.00 C ATOM 490 C ASN A 34 -2.723 -3.539 3.016 1.00 0.00 C ATOM 491 O ASN A 34 -2.805 -2.377 3.415 1.00 0.00 O ATOM 492 CB ASN A 34 -4.845 -4.304 1.935 1.00 0.00 C ATOM 493 CG ASN A 34 -5.540 -5.592 1.537 1.00 0.00 C ATOM 494 OD1 ASN A 34 -4.906 -6.528 1.050 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.851 -5.645 1.744 1.00 0.00 N ATOM 0 H ASN A 34 -4.942 -3.312 4.524 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.534 -5.514 3.133 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.594 -3.550 2.177 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.274 -3.925 1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.373 -6.486 1.497 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.336 -4.845 2.150 1.00 0.00 H new ATOM 502 N PHE A 35 -1.621 -4.040 2.468 1.00 0.00 N ATOM 503 CA PHE A 35 -0.416 -3.234 2.301 1.00 0.00 C ATOM 504 C PHE A 35 -0.541 -2.315 1.090 1.00 0.00 C ATOM 505 O PHE A 35 -0.455 -2.762 -0.054 1.00 0.00 O ATOM 506 CB PHE A 35 0.809 -4.137 2.146 1.00 0.00 C ATOM 507 CG PHE A 35 2.015 -3.423 1.606 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.195 -2.069 1.835 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.968 -4.107 0.868 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.304 -1.409 1.340 1.00 0.00 C ATOM 511 CE2 PHE A 35 4.079 -3.452 0.371 1.00 0.00 C ATOM 512 CZ PHE A 35 4.247 -2.102 0.606 1.00 0.00 C ATOM 0 H PHE A 35 -1.537 -4.999 2.132 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.294 -2.618 3.192 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.057 -4.570 3.115 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.559 -4.964 1.482 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.460 -1.522 2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.841 -5.163 0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.433 -0.353 1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.816 -3.996 -0.201 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.114 -1.589 0.217 1.00 0.00 H new ATOM 522 N ARG A 36 -0.745 -1.027 1.350 1.00 0.00 N ATOM 523 CA ARG A 36 -0.883 -0.044 0.283 1.00 0.00 C ATOM 524 C ARG A 36 0.298 0.921 0.276 1.00 0.00 C ATOM 525 O ARG A 36 1.201 0.821 1.109 1.00 0.00 O ATOM 526 CB ARG A 36 -2.190 0.734 0.443 1.00 0.00 C ATOM 527 CG ARG A 36 -2.348 1.385 1.807 1.00 0.00 C ATOM 528 CD ARG A 36 -3.582 2.271 1.862 1.00 0.00 C ATOM 529 NE ARG A 36 -3.685 2.989 3.130 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.628 3.887 3.391 1.00 0.00 C ATOM 531 NH1 ARG A 36 -5.545 4.176 2.479 1.00 0.00 N ATOM 532 NH2 ARG A 36 -4.655 4.499 4.569 1.00 0.00 N ATOM 0 H ARG A 36 -0.818 -0.641 2.291 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.900 -0.577 -0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.241 1.505 -0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.028 0.058 0.273 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.418 0.613 2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.462 1.979 2.033 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.550 2.988 1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.473 1.660 1.718 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.995 2.790 3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.528 3.708 1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.268 4.866 2.683 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.951 4.280 5.274 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.379 5.189 4.769 1.00 0.00 H new ATOM 546 N LEU A 37 0.287 1.856 -0.668 1.00 0.00 N ATOM 547 CA LEU A 37 1.357 2.840 -0.783 1.00 0.00 C ATOM 548 C LEU A 37 0.794 4.223 -1.095 1.00 0.00 C ATOM 549 O LEU A 37 0.001 4.388 -2.021 1.00 0.00 O ATOM 550 CB LEU A 37 2.346 2.422 -1.874 1.00 0.00 C ATOM 551 CG LEU A 37 3.279 1.262 -1.525 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.154 0.904 -2.716 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.135 1.611 -0.316 1.00 0.00 C ATOM 0 H LEU A 37 -0.451 1.953 -1.365 1.00 0.00 H new ATOM 0 HA LEU A 37 1.878 2.887 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.780 2.151 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.956 3.287 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 37 2.670 0.393 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.811 0.077 -2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.524 0.610 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.755 1.768 -2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.793 0.774 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.735 2.493 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.491 1.816 0.539 1.00 0.00 H new ATOM 565 N GLY A 38 1.212 5.216 -0.315 1.00 0.00 N ATOM 566 CA GLY A 38 0.740 6.572 -0.525 1.00 0.00 C ATOM 567 C GLY A 38 1.844 7.506 -0.980 1.00 0.00 C ATOM 568 O GLY A 38 2.732 7.856 -0.203 1.00 0.00 O ATOM 0 H GLY A 38 1.868 5.105 0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.056 6.565 -1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.307 6.950 0.401 1.00 0.00 H new ATOM 572 N LYS A 39 1.791 7.909 -2.245 1.00 0.00 N ATOM 573 CA LYS A 39 2.794 8.807 -2.805 1.00 0.00 C ATOM 574 C LYS A 39 2.564 10.240 -2.336 1.00 0.00 C ATOM 575 O LYS A 39 1.699 10.944 -2.858 1.00 0.00 O ATOM 576 CB LYS A 39 2.764 8.749 -4.334 1.00 0.00 C ATOM 577 CG LYS A 39 3.863 9.563 -4.996 1.00 0.00 C ATOM 578 CD LYS A 39 4.092 9.126 -6.433 1.00 0.00 C ATOM 579 CE LYS A 39 5.481 9.511 -6.918 1.00 0.00 C ATOM 580 NZ LYS A 39 5.499 10.868 -7.530 1.00 0.00 N ATOM 0 H LYS A 39 1.063 7.628 -2.902 1.00 0.00 H new ATOM 0 HA LYS A 39 3.773 8.481 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.852 7.710 -4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.796 9.109 -4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.598 10.620 -4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.788 9.455 -4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.965 8.046 -6.511 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.341 9.583 -7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.179 9.481 -6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.827 8.779 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.463 11.093 -7.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.852 10.890 -8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.194 11.570 -6.826 1.00 0.00 H new ATOM 594 N LEU A 40 3.345 10.667 -1.349 1.00 0.00 N ATOM 595 CA LEU A 40 3.227 12.017 -0.810 1.00 0.00 C ATOM 596 C LEU A 40 3.800 13.044 -1.782 1.00 0.00 C ATOM 597 O LEU A 40 4.985 13.007 -2.114 1.00 0.00 O ATOM 598 CB LEU A 40 3.947 12.115 0.536 1.00 0.00 C ATOM 599 CG LEU A 40 3.652 10.999 1.538 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.635 11.049 2.697 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.221 11.103 2.045 1.00 0.00 C ATOM 0 H LEU A 40 4.066 10.098 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 40 2.168 12.232 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.021 12.135 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.686 13.068 0.997 1.00 0.00 H new ATOM 0 HG LEU A 40 3.768 10.041 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.410 10.247 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.650 10.925 2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.551 12.010 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.028 10.301 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.078 12.066 2.535 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.531 11.017 1.206 1.00 0.00 H new ATOM 613 N VAL A 41 2.951 13.961 -2.235 1.00 0.00 N ATOM 614 CA VAL A 41 3.373 15.000 -3.167 1.00 0.00 C ATOM 615 C VAL A 41 3.015 16.386 -2.643 1.00 0.00 C ATOM 616 O VAL A 41 1.871 16.641 -2.267 1.00 0.00 O ATOM 617 CB VAL A 41 2.731 14.805 -4.553 1.00 0.00 C ATOM 618 CG1 VAL A 41 3.322 13.589 -5.250 1.00 0.00 C ATOM 619 CG2 VAL A 41 1.220 14.675 -4.427 1.00 0.00 C ATOM 0 H VAL A 41 1.967 14.005 -1.972 1.00 0.00 H new ATOM 0 HA VAL A 41 4.456 14.919 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 41 2.948 15.683 -5.161 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.856 13.468 -6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.396 13.727 -5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.138 12.699 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.783 14.538 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.980 13.815 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.814 15.579 -3.973 1.00 0.00 H new ATOM 777 N MET A 52 -1.579 10.210 -2.264 1.00 0.00 N ATOM 778 CA MET A 52 -2.070 9.395 -3.368 1.00 0.00 C ATOM 779 C MET A 52 -2.092 7.918 -2.986 1.00 0.00 C ATOM 780 O MET A 52 -1.078 7.227 -3.084 1.00 0.00 O ATOM 781 CB MET A 52 -1.198 9.599 -4.609 1.00 0.00 C ATOM 782 CG MET A 52 -1.153 11.041 -5.089 1.00 0.00 C ATOM 783 SD MET A 52 -2.437 11.410 -6.299 1.00 0.00 S ATOM 784 CE MET A 52 -2.556 13.190 -6.134 1.00 0.00 C ATOM 0 HA MET A 52 -3.089 9.710 -3.593 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.184 9.266 -4.389 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.573 8.968 -5.415 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.262 11.708 -4.234 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.176 11.243 -5.528 1.00 0.00 H new ATOM 0 HE1 MET A 52 -3.312 13.569 -6.821 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.835 13.443 -5.111 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.593 13.642 -6.369 1.00 0.00 H new ATOM 794 N TRP A 53 -3.252 7.442 -2.550 1.00 0.00 N ATOM 795 CA TRP A 53 -3.405 6.047 -2.152 1.00 0.00 C ATOM 796 C TRP A 53 -3.424 5.132 -3.372 1.00 0.00 C ATOM 797 O TRP A 53 -4.166 5.368 -4.324 1.00 0.00 O ATOM 798 CB TRP A 53 -4.689 5.864 -1.342 1.00 0.00 C ATOM 799 CG TRP A 53 -4.638 6.515 0.007 1.00 0.00 C ATOM 800 CD1 TRP A 53 -5.550 7.384 0.533 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.619 6.350 1.000 1.00 0.00 C ATOM 802 NE1 TRP A 53 -5.161 7.769 1.793 1.00 0.00 N ATOM 803 CE2 TRP A 53 -3.980 7.148 2.103 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.439 5.604 1.066 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -3.202 7.221 3.255 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.668 5.678 2.210 1.00 0.00 C ATOM 807 CH2 TRP A 53 -2.051 6.481 3.293 1.00 0.00 C ATOM 0 H TRP A 53 -4.101 8.001 -2.463 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.551 5.776 -1.531 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.527 6.276 -1.905 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.882 4.799 -1.216 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.446 7.720 0.032 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.669 8.413 2.399 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.135 4.981 0.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -3.496 7.840 4.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.754 5.107 2.271 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.427 6.517 4.174 1.00 0.00 H new ATOM 818 N ASN A 54 -2.603 4.087 -3.336 1.00 0.00 N ATOM 819 CA ASN A 54 -2.527 3.137 -4.440 1.00 0.00 C ATOM 820 C ASN A 54 -2.035 1.777 -3.954 1.00 0.00 C ATOM 821 O ASN A 54 -1.031 1.718 -3.245 1.00 0.00 O ATOM 822 CB ASN A 54 -1.597 3.667 -5.533 1.00 0.00 C ATOM 823 CG ASN A 54 -1.925 5.094 -5.929 1.00 0.00 C ATOM 824 OD1 ASN A 54 -2.883 5.343 -6.661 1.00 0.00 O ATOM 825 ND2 ASN A 54 -1.128 6.040 -5.445 1.00 0.00 N ATOM 0 H ASN A 54 -1.982 3.877 -2.555 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.529 3.016 -4.852 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.566 3.618 -5.184 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.668 3.024 -6.410 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.299 7.019 -5.677 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.345 5.788 -4.842 1.00 0.00 H new ATOM 832 N HIS A 55 -2.743 0.727 -4.341 1.00 0.00 N ATOM 833 CA HIS A 55 -2.368 -0.618 -3.940 1.00 0.00 C ATOM 834 C HIS A 55 -0.861 -0.806 -4.119 1.00 0.00 C ATOM 835 O HIS A 55 -0.272 -0.424 -5.130 1.00 0.00 O ATOM 836 CB HIS A 55 -3.190 -1.661 -4.699 1.00 0.00 C ATOM 837 CG HIS A 55 -4.675 -1.586 -4.433 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.576 -1.073 -5.350 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.406 -1.965 -3.346 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.791 -1.144 -4.827 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.683 -1.697 -3.584 1.00 0.00 N ATOM 0 H HIS A 55 -3.575 0.780 -4.929 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.594 -0.762 -2.883 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.016 -1.538 -5.768 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.833 -2.655 -4.431 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.344 -0.703 -6.272 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.012 -2.409 -2.444 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.706 -0.821 -5.301 1.00 0.00 H new ATOM 849 N ALA A 56 -0.245 -1.408 -3.107 1.00 0.00 N ATOM 850 CA ALA A 56 1.190 -1.662 -3.128 1.00 0.00 C ATOM 851 C ALA A 56 1.594 -2.425 -4.384 1.00 0.00 C ATOM 852 O ALA A 56 2.766 -2.440 -4.763 1.00 0.00 O ATOM 853 CB ALA A 56 1.608 -2.431 -1.883 1.00 0.00 C ATOM 0 H ALA A 56 -0.718 -1.729 -2.262 1.00 0.00 H new ATOM 0 HA ALA A 56 1.704 -0.701 -3.138 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.682 -2.614 -1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.363 -1.847 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.079 -3.383 -1.849 1.00 0.00 H new ATOM 859 N SER A 57 0.618 -3.059 -5.026 1.00 0.00 N ATOM 860 CA SER A 57 0.874 -3.829 -6.238 1.00 0.00 C ATOM 861 C SER A 57 0.591 -2.993 -7.482 1.00 0.00 C ATOM 862 O SER A 57 1.093 -3.285 -8.568 1.00 0.00 O ATOM 863 CB SER A 57 0.014 -5.095 -6.254 1.00 0.00 C ATOM 864 OG SER A 57 0.608 -6.104 -7.052 1.00 0.00 O ATOM 0 H SER A 57 -0.357 -3.055 -4.727 1.00 0.00 H new ATOM 0 HA SER A 57 1.926 -4.113 -6.244 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.117 -5.462 -5.236 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.978 -4.860 -6.639 1.00 0.00 H new ATOM 0 HG SER A 57 0.041 -6.903 -7.045 1.00 0.00 H new ATOM 870 N CYS A 58 -0.217 -1.951 -7.316 1.00 0.00 N ATOM 871 CA CYS A 58 -0.568 -1.071 -8.424 1.00 0.00 C ATOM 872 C CYS A 58 0.573 -0.108 -8.738 1.00 0.00 C ATOM 873 O CYS A 58 0.683 0.397 -9.855 1.00 0.00 O ATOM 874 CB CYS A 58 -1.838 -0.284 -8.094 1.00 0.00 C ATOM 875 SG CYS A 58 -3.379 -1.228 -8.323 1.00 0.00 S ATOM 0 H CYS A 58 -0.641 -1.696 -6.424 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.749 -1.690 -9.303 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.783 0.056 -7.060 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.874 0.607 -8.721 1.00 0.00 H new ATOM 0 HG CYS A 58 -4.395 -0.418 -8.278 1.00 0.00 H new ATOM 880 N ILE A 59 1.420 0.140 -7.744 1.00 0.00 N ATOM 881 CA ILE A 59 2.554 1.040 -7.914 1.00 0.00 C ATOM 882 C ILE A 59 3.802 0.277 -8.343 1.00 0.00 C ATOM 883 O ILE A 59 4.437 0.615 -9.343 1.00 0.00 O ATOM 884 CB ILE A 59 2.858 1.814 -6.618 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.631 2.615 -6.176 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.054 2.733 -6.817 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.391 3.857 -7.005 1.00 0.00 C ATOM 0 H ILE A 59 1.342 -0.270 -6.813 1.00 0.00 H new ATOM 0 HA ILE A 59 2.279 1.750 -8.695 1.00 0.00 H new ATOM 0 HB ILE A 59 3.102 1.097 -5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.750 1.975 -6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.752 2.903 -5.132 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.256 3.273 -5.892 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.927 2.140 -7.089 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.837 3.445 -7.613 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.506 4.375 -6.636 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.255 4.517 -6.930 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.238 3.575 -8.047 1.00 0.00 H new ATOM 899 N LEU A 60 4.149 -0.754 -7.581 1.00 0.00 N ATOM 900 CA LEU A 60 5.322 -1.568 -7.882 1.00 0.00 C ATOM 901 C LEU A 60 5.313 -2.016 -9.340 1.00 0.00 C ATOM 902 O LEU A 60 6.366 -2.172 -9.959 1.00 0.00 O ATOM 903 CB LEU A 60 5.369 -2.789 -6.961 1.00 0.00 C ATOM 904 CG LEU A 60 5.588 -2.501 -5.476 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.412 -3.769 -4.655 1.00 0.00 C ATOM 906 CD2 LEU A 60 6.967 -1.901 -5.246 1.00 0.00 C ATOM 0 H LEU A 60 3.635 -1.046 -6.750 1.00 0.00 H new ATOM 0 HA LEU A 60 6.210 -0.959 -7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.433 -3.338 -7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.167 -3.448 -7.304 1.00 0.00 H new ATOM 0 HG LEU A 60 4.841 -1.776 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.572 -3.545 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.403 -4.156 -4.795 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.135 -4.517 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.105 -1.703 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.730 -2.601 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.056 -0.969 -5.804 1.00 0.00 H new ATOM 918 N LYS A 61 4.118 -2.220 -9.884 1.00 0.00 N ATOM 919 CA LYS A 61 3.971 -2.647 -11.270 1.00 0.00 C ATOM 920 C LYS A 61 4.425 -1.550 -12.228 1.00 0.00 C ATOM 921 O LYS A 61 4.951 -1.831 -13.306 1.00 0.00 O ATOM 922 CB LYS A 61 2.515 -3.020 -11.559 1.00 0.00 C ATOM 923 CG LYS A 61 1.526 -1.922 -11.211 1.00 0.00 C ATOM 924 CD LYS A 61 1.268 -1.008 -12.397 1.00 0.00 C ATOM 925 CE LYS A 61 0.220 -1.591 -13.333 1.00 0.00 C ATOM 926 NZ LYS A 61 0.096 -0.800 -14.588 1.00 0.00 N ATOM 0 H LYS A 61 3.237 -2.096 -9.385 1.00 0.00 H new ATOM 0 HA LYS A 61 4.601 -3.523 -11.423 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.415 -3.266 -12.616 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.260 -3.918 -10.997 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.587 -2.368 -10.883 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.910 -1.336 -10.376 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.937 -0.033 -12.041 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.197 -0.849 -12.944 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.483 -2.620 -13.577 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.744 -1.620 -12.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.628 -1.229 -15.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.180 0.176 -14.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.009 -0.793 -15.086 1.00 0.00 H new ATOM 940 N LYS A 62 4.221 -0.300 -11.828 1.00 0.00 N ATOM 941 CA LYS A 62 4.612 0.840 -12.649 1.00 0.00 C ATOM 942 C LYS A 62 6.127 1.016 -12.651 1.00 0.00 C ATOM 943 O LYS A 62 6.858 0.202 -12.085 1.00 0.00 O ATOM 944 CB LYS A 62 3.940 2.117 -12.139 1.00 0.00 C ATOM 945 CG LYS A 62 2.423 2.046 -12.134 1.00 0.00 C ATOM 946 CD LYS A 62 1.802 3.417 -11.929 1.00 0.00 C ATOM 947 CE LYS A 62 1.585 3.717 -10.454 1.00 0.00 C ATOM 948 NZ LYS A 62 1.280 5.155 -10.219 1.00 0.00 N ATOM 0 H LYS A 62 3.787 -0.050 -10.940 1.00 0.00 H new ATOM 0 HA LYS A 62 4.285 0.648 -13.671 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.289 2.322 -11.127 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.254 2.956 -12.760 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.074 1.625 -13.077 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.092 1.373 -11.343 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.448 4.179 -12.365 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.849 3.468 -12.456 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.766 3.106 -10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.476 3.438 -9.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.470 5.392 -9.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.878 5.742 -10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.279 5.337 -10.433 1.00 0.00 H new ATOM 962 N THR A 63 6.594 2.084 -13.289 1.00 0.00 N ATOM 963 CA THR A 63 8.022 2.367 -13.364 1.00 0.00 C ATOM 964 C THR A 63 8.331 3.772 -12.861 1.00 0.00 C ATOM 965 O THR A 63 7.445 4.622 -12.778 1.00 0.00 O ATOM 966 CB THR A 63 8.549 2.221 -14.803 1.00 0.00 C ATOM 967 OG1 THR A 63 8.067 1.002 -15.381 1.00 0.00 O ATOM 968 CG2 THR A 63 10.070 2.232 -14.827 1.00 0.00 C ATOM 0 H THR A 63 6.003 2.768 -13.762 1.00 0.00 H new ATOM 0 HA THR A 63 8.522 1.638 -12.727 1.00 0.00 H new ATOM 0 HB THR A 63 8.186 3.068 -15.386 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.406 0.918 -16.297 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.418 2.127 -15.855 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.434 3.173 -14.414 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.449 1.403 -14.229 1.00 0.00 H new ATOM 976 N LYS A 64 9.595 4.012 -12.527 1.00 0.00 N ATOM 977 CA LYS A 64 10.023 5.315 -12.035 1.00 0.00 C ATOM 978 C LYS A 64 9.097 5.809 -10.928 1.00 0.00 C ATOM 979 O LYS A 64 8.624 6.945 -10.964 1.00 0.00 O ATOM 980 CB LYS A 64 10.054 6.331 -13.179 1.00 0.00 C ATOM 981 CG LYS A 64 11.173 6.088 -14.177 1.00 0.00 C ATOM 982 CD LYS A 64 11.554 7.364 -14.910 1.00 0.00 C ATOM 983 CE LYS A 64 12.201 7.064 -16.253 1.00 0.00 C ATOM 984 NZ LYS A 64 12.252 8.269 -17.126 1.00 0.00 N ATOM 0 H LYS A 64 10.341 3.319 -12.589 1.00 0.00 H new ATOM 0 HA LYS A 64 11.027 5.208 -11.625 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.099 6.305 -13.703 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.161 7.332 -12.762 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.045 5.692 -13.657 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.861 5.333 -14.898 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.665 7.977 -15.062 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.241 7.946 -14.296 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.212 6.688 -16.093 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.643 6.274 -16.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.700 8.023 -18.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.286 8.613 -17.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.806 9.014 -16.657 1.00 0.00 H new ATOM 998 N GLN A 65 8.845 4.950 -9.946 1.00 0.00 N ATOM 999 CA GLN A 65 7.977 5.301 -8.828 1.00 0.00 C ATOM 1000 C GLN A 65 8.785 5.492 -7.549 1.00 0.00 C ATOM 1001 O GLN A 65 8.682 6.525 -6.887 1.00 0.00 O ATOM 1002 CB GLN A 65 6.917 4.218 -8.619 1.00 0.00 C ATOM 1003 CG GLN A 65 6.129 3.887 -9.875 1.00 0.00 C ATOM 1004 CD GLN A 65 5.157 4.985 -10.261 1.00 0.00 C ATOM 1005 OE1 GLN A 65 4.679 5.734 -9.408 1.00 0.00 O ATOM 1006 NE2 GLN A 65 4.861 5.087 -11.551 1.00 0.00 N ATOM 0 H GLN A 65 9.229 4.006 -9.902 1.00 0.00 H new ATOM 0 HA GLN A 65 7.483 6.243 -9.067 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.402 3.312 -8.255 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.226 4.543 -7.842 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.822 3.714 -10.699 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.579 2.958 -9.720 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.281 4.445 -12.223 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.214 5.808 -11.870 1.00 0.00 H new ATOM 1015 N ILE A 66 9.589 4.491 -7.208 1.00 0.00 N ATOM 1016 CA ILE A 66 10.415 4.550 -6.009 1.00 0.00 C ATOM 1017 C ILE A 66 11.897 4.464 -6.358 1.00 0.00 C ATOM 1018 O ILE A 66 12.286 3.775 -7.302 1.00 0.00 O ATOM 1019 CB ILE A 66 10.064 3.417 -5.026 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.566 3.430 -4.714 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.879 3.552 -3.749 1.00 0.00 C ATOM 1022 CD1 ILE A 66 8.120 2.274 -3.846 1.00 0.00 C ATOM 0 H ILE A 66 9.686 3.629 -7.745 1.00 0.00 H new ATOM 0 HA ILE A 66 10.211 5.509 -5.533 1.00 0.00 H new ATOM 0 HB ILE A 66 10.311 2.462 -5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.315 4.366 -4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.008 3.408 -5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.620 2.744 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.941 3.498 -3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.661 4.511 -3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.048 2.347 -3.665 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.339 1.334 -4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.651 2.307 -2.895 1.00 0.00 H new ATOM 1034 N LYS A 67 12.722 5.165 -5.588 1.00 0.00 N ATOM 1035 CA LYS A 67 14.163 5.167 -5.812 1.00 0.00 C ATOM 1036 C LYS A 67 14.848 4.105 -4.958 1.00 0.00 C ATOM 1037 O LYS A 67 15.678 3.340 -5.449 1.00 0.00 O ATOM 1038 CB LYS A 67 14.748 6.545 -5.496 1.00 0.00 C ATOM 1039 CG LYS A 67 16.032 6.848 -6.249 1.00 0.00 C ATOM 1040 CD LYS A 67 16.826 7.954 -5.574 1.00 0.00 C ATOM 1041 CE LYS A 67 18.025 8.370 -6.412 1.00 0.00 C ATOM 1042 NZ LYS A 67 18.749 9.524 -5.810 1.00 0.00 N ATOM 0 H LYS A 67 12.417 5.740 -4.802 1.00 0.00 H new ATOM 0 HA LYS A 67 14.342 4.935 -6.862 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.008 7.308 -5.735 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.940 6.612 -4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.641 5.946 -6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.795 7.141 -7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.181 8.816 -5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.165 7.615 -4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.707 7.526 -6.514 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.692 8.634 -7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.559 9.777 -6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.105 10.337 -5.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.089 9.264 -4.862 1.00 0.00 H new ATOM 1056 N SER A 68 14.493 4.062 -3.678 1.00 0.00 N ATOM 1057 CA SER A 68 15.076 3.095 -2.755 1.00 0.00 C ATOM 1058 C SER A 68 14.156 2.863 -1.560 1.00 0.00 C ATOM 1059 O SER A 68 13.357 3.727 -1.199 1.00 0.00 O ATOM 1060 CB SER A 68 16.445 3.579 -2.272 1.00 0.00 C ATOM 1061 OG SER A 68 16.946 2.745 -1.242 1.00 0.00 O ATOM 0 H SER A 68 13.805 4.685 -3.256 1.00 0.00 H new ATOM 0 HA SER A 68 15.199 2.151 -3.286 1.00 0.00 H new ATOM 0 HB2 SER A 68 17.145 3.591 -3.107 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.365 4.603 -1.908 1.00 0.00 H new ATOM 0 HG SER A 68 17.822 3.074 -0.952 1.00 0.00 H new ATOM 1067 N VAL A 69 14.275 1.688 -0.949 1.00 0.00 N ATOM 1068 CA VAL A 69 13.456 1.340 0.206 1.00 0.00 C ATOM 1069 C VAL A 69 13.627 2.358 1.328 1.00 0.00 C ATOM 1070 O VAL A 69 12.797 2.447 2.232 1.00 0.00 O ATOM 1071 CB VAL A 69 13.806 -0.061 0.741 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.346 -1.135 -0.233 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.300 -0.172 1.004 1.00 0.00 C ATOM 0 H VAL A 69 14.931 0.961 -1.235 1.00 0.00 H new ATOM 0 HA VAL A 69 12.419 1.344 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 69 13.282 -0.212 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.602 -2.118 0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.266 -1.067 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.840 -0.990 -1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.530 -1.168 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.846 -0.000 0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.596 0.573 1.743 1.00 0.00 H new ATOM 1083 N ASP A 70 14.710 3.125 1.262 1.00 0.00 N ATOM 1084 CA ASP A 70 14.991 4.139 2.272 1.00 0.00 C ATOM 1085 C ASP A 70 14.024 5.313 2.146 1.00 0.00 C ATOM 1086 O ASP A 70 13.751 6.012 3.122 1.00 0.00 O ATOM 1087 CB ASP A 70 16.432 4.633 2.143 1.00 0.00 C ATOM 1088 CG ASP A 70 16.767 5.714 3.152 1.00 0.00 C ATOM 1089 OD1 ASP A 70 16.065 5.802 4.181 1.00 0.00 O ATOM 1090 OD2 ASP A 70 17.730 6.472 2.912 1.00 0.00 O ATOM 0 H ASP A 70 15.407 3.064 0.520 1.00 0.00 H new ATOM 0 HA ASP A 70 14.858 3.685 3.254 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.114 3.793 2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.592 5.018 1.136 1.00 0.00 H new ATOM 1095 N ASP A 71 13.512 5.524 0.939 1.00 0.00 N ATOM 1096 CA ASP A 71 12.576 6.614 0.685 1.00 0.00 C ATOM 1097 C ASP A 71 11.176 6.252 1.171 1.00 0.00 C ATOM 1098 O ASP A 71 10.295 7.107 1.251 1.00 0.00 O ATOM 1099 CB ASP A 71 12.541 6.947 -0.807 1.00 0.00 C ATOM 1100 CG ASP A 71 11.804 5.899 -1.617 1.00 0.00 C ATOM 1101 OD1 ASP A 71 10.688 5.513 -1.212 1.00 0.00 O ATOM 1102 OD2 ASP A 71 12.344 5.466 -2.657 1.00 0.00 O ATOM 0 H ASP A 71 13.729 4.955 0.121 1.00 0.00 H new ATOM 0 HA ASP A 71 12.918 7.490 1.237 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.061 7.915 -0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.561 7.039 -1.180 1.00 0.00 H new ATOM 1107 N VAL A 72 10.979 4.977 1.494 1.00 0.00 N ATOM 1108 CA VAL A 72 9.686 4.502 1.972 1.00 0.00 C ATOM 1109 C VAL A 72 9.591 4.601 3.490 1.00 0.00 C ATOM 1110 O VAL A 72 10.456 4.102 4.210 1.00 0.00 O ATOM 1111 CB VAL A 72 9.432 3.043 1.547 1.00 0.00 C ATOM 1112 CG1 VAL A 72 8.002 2.634 1.867 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.729 2.861 0.066 1.00 0.00 C ATOM 0 H VAL A 72 11.698 4.256 1.433 1.00 0.00 H new ATOM 0 HA VAL A 72 8.927 5.142 1.521 1.00 0.00 H new ATOM 0 HB VAL A 72 10.104 2.396 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.842 1.601 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.829 2.725 2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.309 3.283 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.544 1.825 -0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.084 3.517 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.772 3.110 -0.129 1.00 0.00 H new ATOM 1123 N GLU A 73 8.534 5.247 3.971 1.00 0.00 N ATOM 1124 CA GLU A 73 8.326 5.412 5.405 1.00 0.00 C ATOM 1125 C GLU A 73 7.450 4.292 5.960 1.00 0.00 C ATOM 1126 O GLU A 73 6.495 3.859 5.316 1.00 0.00 O ATOM 1127 CB GLU A 73 7.684 6.769 5.698 1.00 0.00 C ATOM 1128 CG GLU A 73 7.392 6.999 7.171 1.00 0.00 C ATOM 1129 CD GLU A 73 8.614 7.454 7.944 1.00 0.00 C ATOM 1130 OE1 GLU A 73 8.872 8.676 7.983 1.00 0.00 O ATOM 1131 OE2 GLU A 73 9.313 6.588 8.511 1.00 0.00 O ATOM 0 H GLU A 73 7.808 5.665 3.389 1.00 0.00 H new ATOM 0 HA GLU A 73 9.299 5.366 5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.344 7.559 5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.754 6.851 5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.605 7.747 7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.011 6.077 7.610 1.00 0.00 H new ATOM 1138 N GLY A 74 7.784 3.827 7.160 1.00 0.00 N ATOM 1139 CA GLY A 74 7.019 2.762 7.782 1.00 0.00 C ATOM 1140 C GLY A 74 7.217 1.427 7.092 1.00 0.00 C ATOM 1141 O GLY A 74 6.484 0.472 7.351 1.00 0.00 O ATOM 0 H GLY A 74 8.570 4.169 7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.310 2.673 8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.961 3.022 7.766 1.00 0.00 H new ATOM 1145 N ILE A 75 8.209 1.360 6.210 1.00 0.00 N ATOM 1146 CA ILE A 75 8.500 0.132 5.480 1.00 0.00 C ATOM 1147 C ILE A 75 8.971 -0.969 6.424 1.00 0.00 C ATOM 1148 O ILE A 75 8.864 -2.154 6.112 1.00 0.00 O ATOM 1149 CB ILE A 75 9.573 0.361 4.399 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.608 -0.820 3.427 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.937 0.565 5.042 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.488 -0.583 2.220 1.00 0.00 C ATOM 0 H ILE A 75 8.824 2.141 5.984 1.00 0.00 H new ATOM 0 HA ILE A 75 7.572 -0.178 4.999 1.00 0.00 H new ATOM 0 HB ILE A 75 9.318 1.261 3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.961 -1.705 3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.593 -1.033 3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.685 0.726 4.266 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.903 1.434 5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.201 -0.319 5.623 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.465 -1.461 1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.123 0.283 1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.512 -0.399 2.546 1.00 0.00 H new ATOM 1164 N GLU A 76 9.491 -0.568 7.580 1.00 0.00 N ATOM 1165 CA GLU A 76 9.978 -1.522 8.569 1.00 0.00 C ATOM 1166 C GLU A 76 8.819 -2.128 9.357 1.00 0.00 C ATOM 1167 O GLU A 76 9.011 -3.037 10.164 1.00 0.00 O ATOM 1168 CB GLU A 76 10.959 -0.843 9.526 1.00 0.00 C ATOM 1169 CG GLU A 76 10.326 0.248 10.374 1.00 0.00 C ATOM 1170 CD GLU A 76 11.000 0.403 11.724 1.00 0.00 C ATOM 1171 OE1 GLU A 76 12.174 0.827 11.756 1.00 0.00 O ATOM 1172 OE2 GLU A 76 10.353 0.100 12.748 1.00 0.00 O ATOM 0 H GLU A 76 9.586 0.410 7.854 1.00 0.00 H new ATOM 0 HA GLU A 76 10.494 -2.323 8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.393 -1.597 10.183 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.778 -0.414 8.949 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.375 1.195 9.837 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.270 0.021 10.523 1.00 0.00 H new ATOM 1179 N SER A 77 7.616 -1.616 9.117 1.00 0.00 N ATOM 1180 CA SER A 77 6.427 -2.102 9.806 1.00 0.00 C ATOM 1181 C SER A 77 5.672 -3.108 8.942 1.00 0.00 C ATOM 1182 O SER A 77 4.782 -3.812 9.423 1.00 0.00 O ATOM 1183 CB SER A 77 5.508 -0.934 10.169 1.00 0.00 C ATOM 1184 OG SER A 77 4.244 -1.397 10.611 1.00 0.00 O ATOM 0 H SER A 77 7.439 -0.865 8.450 1.00 0.00 H new ATOM 0 HA SER A 77 6.746 -2.601 10.721 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.972 -0.332 10.950 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.379 -0.286 9.302 1.00 0.00 H new ATOM 0 HG SER A 77 4.172 -2.360 10.446 1.00 0.00 H new ATOM 1190 N LEU A 78 6.033 -3.170 7.666 1.00 0.00 N ATOM 1191 CA LEU A 78 5.390 -4.090 6.733 1.00 0.00 C ATOM 1192 C LEU A 78 5.933 -5.505 6.903 1.00 0.00 C ATOM 1193 O LEU A 78 7.027 -5.702 7.432 1.00 0.00 O ATOM 1194 CB LEU A 78 5.605 -3.620 5.293 1.00 0.00 C ATOM 1195 CG LEU A 78 5.423 -2.122 5.042 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.828 -1.766 3.620 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.984 -1.707 5.309 1.00 0.00 C ATOM 0 H LEU A 78 6.767 -2.595 7.253 1.00 0.00 H new ATOM 0 HA LEU A 78 4.322 -4.101 6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.613 -3.899 4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.914 -4.163 4.648 1.00 0.00 H new ATOM 0 HG LEU A 78 6.070 -1.577 5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.692 -0.696 3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.875 -2.026 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.208 -2.320 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.873 -0.638 5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.317 -2.260 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.729 -1.925 6.346 1.00 0.00 H new ATOM 1209 N ARG A 79 5.160 -6.488 6.451 1.00 0.00 N ATOM 1210 CA ARG A 79 5.564 -7.885 6.553 1.00 0.00 C ATOM 1211 C ARG A 79 6.761 -8.173 5.651 1.00 0.00 C ATOM 1212 O ARG A 79 6.898 -7.584 4.579 1.00 0.00 O ATOM 1213 CB ARG A 79 4.398 -8.803 6.179 1.00 0.00 C ATOM 1214 CG ARG A 79 3.457 -9.095 7.336 1.00 0.00 C ATOM 1215 CD ARG A 79 2.222 -9.851 6.873 1.00 0.00 C ATOM 1216 NE ARG A 79 1.584 -10.579 7.967 1.00 0.00 N ATOM 1217 CZ ARG A 79 2.029 -11.739 8.436 1.00 0.00 C ATOM 1218 NH1 ARG A 79 3.109 -12.300 7.910 1.00 0.00 N ATOM 1219 NH2 ARG A 79 1.394 -12.341 9.433 1.00 0.00 N ATOM 0 H ARG A 79 4.251 -6.342 6.011 1.00 0.00 H new ATOM 0 HA ARG A 79 5.855 -8.079 7.586 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.832 -8.345 5.368 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.795 -9.744 5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.980 -9.679 8.093 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.157 -8.159 7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.509 -9.150 6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.500 -10.551 6.085 1.00 0.00 H new ATOM 0 HE ARG A 79 0.751 -10.174 8.394 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.600 -11.841 7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.449 -13.191 8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.563 -11.913 9.841 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.737 -13.232 9.792 1.00 0.00 H new ATOM 1233 N TRP A 80 7.623 -9.080 6.094 1.00 0.00 N ATOM 1234 CA TRP A 80 8.809 -9.445 5.327 1.00 0.00 C ATOM 1235 C TRP A 80 8.499 -9.494 3.835 1.00 0.00 C ATOM 1236 O TRP A 80 9.140 -8.812 3.036 1.00 0.00 O ATOM 1237 CB TRP A 80 9.347 -10.799 5.793 1.00 0.00 C ATOM 1238 CG TRP A 80 10.198 -11.485 4.768 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.425 -11.085 4.320 1.00 0.00 C ATOM 1240 CD2 TRP A 80 9.885 -12.691 4.062 1.00 0.00 C ATOM 1241 NE1 TRP A 80 11.893 -11.969 3.378 1.00 0.00 N ATOM 1242 CE2 TRP A 80 10.967 -12.964 3.203 1.00 0.00 C ATOM 1243 CE3 TRP A 80 8.796 -13.567 4.074 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 10.989 -14.075 2.364 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 8.820 -14.670 3.241 1.00 0.00 C ATOM 1246 CH2 TRP A 80 9.911 -14.916 2.396 1.00 0.00 C ATOM 0 H TRP A 80 7.524 -9.576 6.980 1.00 0.00 H new ATOM 0 HA TRP A 80 9.569 -8.682 5.496 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.930 -10.656 6.703 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.508 -11.446 6.050 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.950 -10.203 4.657 1.00 0.00 H new ATOM 0 HE1 TRP A 80 12.785 -11.896 2.888 1.00 0.00 H new ATOM 0 HE3 TRP A 80 7.951 -13.386 4.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.828 -14.266 1.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 7.984 -15.354 3.241 1.00 0.00 H new ATOM 0 HH2 TRP A 80 9.900 -15.787 1.758 1.00 0.00 H new ATOM 1257 N GLU A 81 7.512 -10.305 3.466 1.00 0.00 N ATOM 1258 CA GLU A 81 7.118 -10.442 2.069 1.00 0.00 C ATOM 1259 C GLU A 81 6.875 -9.075 1.435 1.00 0.00 C ATOM 1260 O GLU A 81 7.231 -8.843 0.280 1.00 0.00 O ATOM 1261 CB GLU A 81 5.858 -11.302 1.953 1.00 0.00 C ATOM 1262 CG GLU A 81 4.569 -10.521 2.147 1.00 0.00 C ATOM 1263 CD GLU A 81 3.335 -11.397 2.046 1.00 0.00 C ATOM 1264 OE1 GLU A 81 3.233 -12.168 1.069 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.472 -11.310 2.944 1.00 0.00 O ATOM 0 H GLU A 81 6.971 -10.877 4.115 1.00 0.00 H new ATOM 0 HA GLU A 81 7.933 -10.931 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.841 -11.777 0.972 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.904 -12.101 2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.586 -10.035 3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.511 -9.731 1.398 1.00 0.00 H new ATOM 1272 N ASP A 82 6.267 -8.175 2.200 1.00 0.00 N ATOM 1273 CA ASP A 82 5.976 -6.831 1.715 1.00 0.00 C ATOM 1274 C ASP A 82 7.262 -6.033 1.523 1.00 0.00 C ATOM 1275 O ASP A 82 7.513 -5.493 0.446 1.00 0.00 O ATOM 1276 CB ASP A 82 5.050 -6.103 2.690 1.00 0.00 C ATOM 1277 CG ASP A 82 3.719 -6.808 2.860 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.627 -8.000 2.496 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.768 -6.169 3.358 1.00 0.00 O ATOM 0 H ASP A 82 5.966 -8.352 3.158 1.00 0.00 H new ATOM 0 HA ASP A 82 5.477 -6.920 0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.541 -6.021 3.660 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.877 -5.088 2.333 1.00 0.00 H new ATOM 1284 N GLN A 83 8.071 -5.962 2.576 1.00 0.00 N ATOM 1285 CA GLN A 83 9.330 -5.227 2.523 1.00 0.00 C ATOM 1286 C GLN A 83 10.186 -5.699 1.353 1.00 0.00 C ATOM 1287 O GLN A 83 10.981 -4.935 0.806 1.00 0.00 O ATOM 1288 CB GLN A 83 10.099 -5.397 3.834 1.00 0.00 C ATOM 1289 CG GLN A 83 9.282 -5.049 5.068 1.00 0.00 C ATOM 1290 CD GLN A 83 10.145 -4.803 6.290 1.00 0.00 C ATOM 1291 OE1 GLN A 83 11.197 -4.168 6.203 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.704 -5.305 7.437 1.00 0.00 N ATOM 0 H GLN A 83 7.877 -6.404 3.475 1.00 0.00 H new ATOM 0 HA GLN A 83 9.100 -4.171 2.379 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.441 -6.429 3.914 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.989 -4.768 3.808 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.685 -4.160 4.865 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.585 -5.860 5.278 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.827 -5.825 7.462 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.242 -5.171 8.293 1.00 0.00 H new ATOM 1301 N GLN A 84 10.019 -6.962 0.974 1.00 0.00 N ATOM 1302 CA GLN A 84 10.778 -7.535 -0.131 1.00 0.00 C ATOM 1303 C GLN A 84 10.335 -6.939 -1.463 1.00 0.00 C ATOM 1304 O GLN A 84 11.162 -6.614 -2.316 1.00 0.00 O ATOM 1305 CB GLN A 84 10.610 -9.055 -0.158 1.00 0.00 C ATOM 1306 CG GLN A 84 11.156 -9.750 1.079 1.00 0.00 C ATOM 1307 CD GLN A 84 12.614 -10.139 0.934 1.00 0.00 C ATOM 1308 OE1 GLN A 84 12.981 -10.895 0.034 1.00 0.00 O ATOM 1309 NE2 GLN A 84 13.456 -9.623 1.822 1.00 0.00 N ATOM 0 H GLN A 84 9.365 -7.608 1.416 1.00 0.00 H new ATOM 0 HA GLN A 84 11.830 -7.295 0.021 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.551 -9.293 -0.261 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.113 -9.452 -1.040 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.043 -9.092 1.940 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.564 -10.643 1.281 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.109 -9.001 2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.449 -9.849 1.774 1.00 0.00 H new ATOM 1318 N LYS A 85 9.025 -6.797 -1.636 1.00 0.00 N ATOM 1319 CA LYS A 85 8.471 -6.238 -2.863 1.00 0.00 C ATOM 1320 C LYS A 85 9.071 -4.867 -3.157 1.00 0.00 C ATOM 1321 O LYS A 85 9.176 -4.460 -4.314 1.00 0.00 O ATOM 1322 CB LYS A 85 6.948 -6.128 -2.756 1.00 0.00 C ATOM 1323 CG LYS A 85 6.260 -7.456 -2.491 1.00 0.00 C ATOM 1324 CD LYS A 85 4.825 -7.258 -2.031 1.00 0.00 C ATOM 1325 CE LYS A 85 4.367 -8.395 -1.130 1.00 0.00 C ATOM 1326 NZ LYS A 85 3.060 -8.097 -0.482 1.00 0.00 N ATOM 0 H LYS A 85 8.327 -7.062 -0.941 1.00 0.00 H new ATOM 0 HA LYS A 85 8.724 -6.909 -3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.698 -5.432 -1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.557 -5.704 -3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.272 -8.061 -3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.814 -8.009 -1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.740 -6.312 -1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.169 -7.193 -2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.282 -9.310 -1.715 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.120 -8.576 -0.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.189 -8.039 0.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.695 -7.190 -0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.382 -8.854 -0.704 1.00 0.00 H new ATOM 1340 N ILE A 86 9.464 -4.160 -2.102 1.00 0.00 N ATOM 1341 CA ILE A 86 10.055 -2.836 -2.249 1.00 0.00 C ATOM 1342 C ILE A 86 11.502 -2.930 -2.723 1.00 0.00 C ATOM 1343 O ILE A 86 11.829 -2.515 -3.835 1.00 0.00 O ATOM 1344 CB ILE A 86 10.011 -2.051 -0.925 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.637 -2.193 -0.267 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.339 -0.585 -1.167 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.538 -1.455 -0.999 1.00 0.00 C ATOM 0 H ILE A 86 9.384 -4.482 -1.137 1.00 0.00 H new ATOM 0 HA ILE A 86 9.464 -2.307 -2.996 1.00 0.00 H new ATOM 0 HB ILE A 86 10.760 -2.465 -0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.378 -3.250 -0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.693 -1.823 0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.304 -0.043 -0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.338 -0.502 -1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.611 -0.158 -1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.592 -1.600 -0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.774 -0.392 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.454 -1.841 -2.015 1.00 0.00 H new ATOM 1359 N ARG A 87 12.363 -3.478 -1.873 1.00 0.00 N ATOM 1360 CA ARG A 87 13.775 -3.627 -2.205 1.00 0.00 C ATOM 1361 C ARG A 87 13.947 -4.366 -3.529 1.00 0.00 C ATOM 1362 O ARG A 87 14.811 -4.024 -4.336 1.00 0.00 O ATOM 1363 CB ARG A 87 14.507 -4.377 -1.091 1.00 0.00 C ATOM 1364 CG ARG A 87 13.796 -5.643 -0.641 1.00 0.00 C ATOM 1365 CD ARG A 87 14.023 -5.913 0.839 1.00 0.00 C ATOM 1366 NE ARG A 87 15.169 -6.789 1.066 1.00 0.00 N ATOM 1367 CZ ARG A 87 15.750 -6.947 2.250 1.00 0.00 C ATOM 1368 NH1 ARG A 87 15.295 -6.291 3.308 1.00 0.00 N ATOM 1369 NH2 ARG A 87 16.789 -7.763 2.377 1.00 0.00 N ATOM 0 H ARG A 87 12.108 -3.826 -0.949 1.00 0.00 H new ATOM 0 HA ARG A 87 14.206 -2.631 -2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.508 -4.635 -1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.626 -3.713 -0.235 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.727 -5.550 -0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.154 -6.490 -1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.180 -4.968 1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.129 -6.368 1.266 1.00 0.00 H new ATOM 0 HE ARG A 87 15.544 -7.308 0.272 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.497 -5.663 3.214 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.743 -6.414 4.216 1.00 0.00 H new ATOM 0 HH21 ARG A 87 17.142 -8.269 1.565 1.00 0.00 H new ATOM 0 HH22 ARG A 87 17.235 -7.884 3.287 1.00 0.00 H new ATOM 1383 N LYS A 88 13.118 -5.382 -3.746 1.00 0.00 N ATOM 1384 CA LYS A 88 13.176 -6.170 -4.971 1.00 0.00 C ATOM 1385 C LYS A 88 12.596 -5.391 -6.147 1.00 0.00 C ATOM 1386 O LYS A 88 12.481 -5.915 -7.255 1.00 0.00 O ATOM 1387 CB LYS A 88 12.416 -7.486 -4.792 1.00 0.00 C ATOM 1388 CG LYS A 88 12.803 -8.246 -3.535 1.00 0.00 C ATOM 1389 CD LYS A 88 13.941 -9.217 -3.799 1.00 0.00 C ATOM 1390 CE LYS A 88 13.450 -10.473 -4.503 1.00 0.00 C ATOM 1391 NZ LYS A 88 13.339 -10.276 -5.975 1.00 0.00 N ATOM 0 H LYS A 88 12.397 -5.679 -3.088 1.00 0.00 H new ATOM 0 HA LYS A 88 14.223 -6.388 -5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.346 -7.277 -4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.596 -8.121 -5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.098 -7.540 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.938 -8.792 -3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 88 14.702 -8.730 -4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.415 -9.489 -2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.135 -11.296 -4.297 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.478 -10.759 -4.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 13.638 -11.143 -6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.352 -10.061 -6.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.949 -9.486 -6.266 1.00 0.00 H new ATOM 1405 N TYR A 89 12.232 -4.138 -5.899 1.00 0.00 N ATOM 1406 CA TYR A 89 11.663 -3.287 -6.937 1.00 0.00 C ATOM 1407 C TYR A 89 12.569 -2.093 -7.221 1.00 0.00 C ATOM 1408 O TYR A 89 12.741 -1.688 -8.371 1.00 0.00 O ATOM 1409 CB TYR A 89 10.273 -2.800 -6.522 1.00 0.00 C ATOM 1410 CG TYR A 89 9.776 -1.625 -7.333 1.00 0.00 C ATOM 1411 CD1 TYR A 89 9.179 -1.814 -8.573 1.00 0.00 C ATOM 1412 CD2 TYR A 89 9.905 -0.325 -6.859 1.00 0.00 C ATOM 1413 CE1 TYR A 89 8.723 -0.744 -9.317 1.00 0.00 C ATOM 1414 CE2 TYR A 89 9.451 0.752 -7.597 1.00 0.00 C ATOM 1415 CZ TYR A 89 8.862 0.537 -8.825 1.00 0.00 C ATOM 1416 OH TYR A 89 8.410 1.607 -9.563 1.00 0.00 O ATOM 0 H TYR A 89 12.321 -3.689 -4.988 1.00 0.00 H new ATOM 0 HA TYR A 89 11.576 -3.878 -7.848 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.565 -3.623 -6.619 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.295 -2.521 -5.469 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.070 -2.816 -8.962 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.368 -0.153 -5.898 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.260 -0.909 -10.279 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.557 1.756 -7.214 1.00 0.00 H new ATOM 0 HH TYR A 89 7.913 1.281 -10.342 1.00 0.00 H new ATOM 1426 N VAL A 90 13.147 -1.532 -6.163 1.00 0.00 N ATOM 1427 CA VAL A 90 14.037 -0.386 -6.296 1.00 0.00 C ATOM 1428 C VAL A 90 15.419 -0.815 -6.776 1.00 0.00 C ATOM 1429 O VAL A 90 16.113 -0.060 -7.455 1.00 0.00 O ATOM 1430 CB VAL A 90 14.181 0.371 -4.962 1.00 0.00 C ATOM 1431 CG1 VAL A 90 12.914 1.154 -4.653 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.509 -0.596 -3.835 1.00 0.00 C ATOM 0 H VAL A 90 13.014 -1.853 -5.204 1.00 0.00 H new ATOM 0 HA VAL A 90 13.589 0.278 -7.036 1.00 0.00 H new ATOM 0 HB VAL A 90 15.004 1.080 -5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.034 1.682 -3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.728 1.874 -5.450 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.071 0.467 -4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.607 -0.045 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.709 -1.330 -3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.446 -1.107 -4.055 1.00 0.00 H new ATOM 1442 N GLU A 91 15.811 -2.034 -6.418 1.00 0.00 N ATOM 1443 CA GLU A 91 17.111 -2.564 -6.812 1.00 0.00 C ATOM 1444 C GLU A 91 17.077 -3.073 -8.250 1.00 0.00 C ATOM 1445 O GLU A 91 17.920 -2.707 -9.069 1.00 0.00 O ATOM 1446 CB GLU A 91 17.534 -3.692 -5.869 1.00 0.00 C ATOM 1447 CG GLU A 91 17.628 -3.266 -4.414 1.00 0.00 C ATOM 1448 CD GLU A 91 18.978 -2.668 -4.067 1.00 0.00 C ATOM 1449 OE1 GLU A 91 19.899 -3.438 -3.725 1.00 0.00 O ATOM 1450 OE2 GLU A 91 19.112 -1.428 -4.139 1.00 0.00 O ATOM 0 H GLU A 91 15.247 -2.672 -5.856 1.00 0.00 H new ATOM 0 HA GLU A 91 17.839 -1.756 -6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.820 -4.512 -5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.502 -4.078 -6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.846 -2.537 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.442 -4.128 -3.774 1.00 0.00 H new