USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 810 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 53 THR OG1 : rot 75:sc= 0.0408 USER MOD Set 1.2: A 107 LYS NZ :NH3+ 150:sc= -0.14 (180deg=-1.38!) USER MOD Set 2.1: A 27 ASN : amide:sc= -1.45! C(o=-3.6!,f=-2.6!) USER MOD Set 2.2: A 59 ASN : amide:sc= -2.14! C(o=-3.6!,f=-2.6!) USER MOD Single : A 10 LYS NZ :NH3+ -104:sc= -2! (180deg=-4.76!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -1.52 K(o=-1.5,f=-3.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 145:sc= -0.279 (180deg=-0.822!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 100:sc= -1.5 USER MOD Single : A 39 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.09) USER MOD Single : A 40 CYS SG : rot -160:sc= -0.717 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.4!) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0487) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.438 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -3.4 K(o=-3.4,f=-8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -136:sc= -0.236 (180deg=-1.78) USER MOD Single : A 67 SER OG : rot -37:sc= -0.215 USER MOD Single : A 68 THR OG1 : rot -66:sc= -0.198 USER MOD Single : A 70 ASN : amide:sc= -0.168 K(o=-0.17,f=-0.71) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 87:sc= 1.08 USER MOD Single : A 84 LYS NZ :NH3+ -130:sc=-0.00565 (180deg=-0.153) USER MOD Single : A 93 THR OG1 : rot 28:sc= 0.106 USER MOD Single : A 97 TYR OH : rot 102:sc= 0.886 USER MOD Single : A 98 ASN : amide:sc= -0.0338 X(o=-0.034,f=0) USER MOD Single : A 102 THR OG1 : rot 140:sc= 0.403 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 85:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -4.764 -13.116 -2.739 1.00 0.00 N ATOM 67 CA PRO A 8 -3.582 -12.760 -1.949 1.00 0.00 C ATOM 68 C PRO A 8 -3.814 -11.530 -1.079 1.00 0.00 C ATOM 69 O PRO A 8 -3.537 -11.545 0.121 1.00 0.00 O ATOM 70 CB PRO A 8 -2.519 -12.470 -3.012 1.00 0.00 C ATOM 71 CG PRO A 8 -3.292 -12.071 -4.221 1.00 0.00 C ATOM 72 CD PRO A 8 -4.569 -12.864 -4.177 1.00 0.00 C ATOM 0 HA PRO A 8 -3.304 -13.551 -1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.846 -11.675 -2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.904 -13.349 -3.207 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.497 -11.000 -4.217 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.731 -12.285 -5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.403 -12.307 -4.604 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.485 -13.793 -4.740 1.00 0.00 H new ATOM 80 N VAL A 9 -4.326 -10.466 -1.690 1.00 0.00 N ATOM 81 CA VAL A 9 -4.597 -9.228 -0.970 1.00 0.00 C ATOM 82 C VAL A 9 -6.079 -8.876 -1.022 1.00 0.00 C ATOM 83 O VAL A 9 -6.711 -8.953 -2.076 1.00 0.00 O ATOM 84 CB VAL A 9 -3.781 -8.054 -1.544 1.00 0.00 C ATOM 85 CG1 VAL A 9 -3.665 -8.173 -3.056 1.00 0.00 C ATOM 86 CG2 VAL A 9 -4.411 -6.726 -1.152 1.00 0.00 C ATOM 0 H VAL A 9 -4.561 -10.437 -2.682 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.302 -9.393 0.066 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.776 -8.092 -1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.085 -7.335 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.166 -9.108 -3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.661 -8.161 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.822 -5.908 -1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.427 -6.676 -1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.436 -6.642 -0.066 1.00 0.00 H new ATOM 96 N LYS A 10 -6.630 -8.487 0.123 1.00 0.00 N ATOM 97 CA LYS A 10 -8.039 -8.120 0.210 1.00 0.00 C ATOM 98 C LYS A 10 -8.285 -6.754 -0.424 1.00 0.00 C ATOM 99 O LYS A 10 -7.443 -5.860 -0.343 1.00 0.00 O ATOM 100 CB LYS A 10 -8.495 -8.106 1.670 1.00 0.00 C ATOM 101 CG LYS A 10 -9.878 -8.696 1.881 1.00 0.00 C ATOM 102 CD LYS A 10 -10.969 -7.687 1.563 1.00 0.00 C ATOM 103 CE LYS A 10 -11.399 -6.921 2.804 1.00 0.00 C ATOM 104 NZ LYS A 10 -12.531 -7.589 3.504 1.00 0.00 N ATOM 0 H LYS A 10 -6.122 -8.418 1.005 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.617 -8.865 -0.337 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.776 -8.662 2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.488 -7.079 2.034 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.999 -9.576 1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.979 -9.029 2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.610 -6.987 0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.829 -8.202 1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.553 -6.830 3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.692 -5.909 2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.413 -7.074 3.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.620 -8.568 3.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.352 -7.592 4.528 1.00 0.00 H new ATOM 118 N VAL A 11 -9.446 -6.600 -1.053 1.00 0.00 N ATOM 119 CA VAL A 11 -9.804 -5.342 -1.698 1.00 0.00 C ATOM 120 C VAL A 11 -10.818 -4.566 -0.864 1.00 0.00 C ATOM 121 O VAL A 11 -11.923 -5.045 -0.607 1.00 0.00 O ATOM 122 CB VAL A 11 -10.386 -5.578 -3.104 1.00 0.00 C ATOM 123 CG1 VAL A 11 -10.699 -4.253 -3.782 1.00 0.00 C ATOM 124 CG2 VAL A 11 -9.424 -6.403 -3.946 1.00 0.00 C ATOM 0 H VAL A 11 -10.154 -7.330 -1.130 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.887 -4.759 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.317 -6.136 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.109 -4.440 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.427 -3.702 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.785 -3.666 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.851 -6.561 -4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.476 -5.873 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.255 -7.367 -3.466 1.00 0.00 H new ATOM 134 N LEU A 12 -10.435 -3.365 -0.444 1.00 0.00 N ATOM 135 CA LEU A 12 -11.310 -2.521 0.361 1.00 0.00 C ATOM 136 C LEU A 12 -12.061 -1.523 -0.516 1.00 0.00 C ATOM 137 O LEU A 12 -11.559 -1.092 -1.554 1.00 0.00 O ATOM 138 CB LEU A 12 -10.499 -1.776 1.422 1.00 0.00 C ATOM 139 CG LEU A 12 -9.413 -2.588 2.129 1.00 0.00 C ATOM 140 CD1 LEU A 12 -8.335 -1.669 2.683 1.00 0.00 C ATOM 141 CD2 LEU A 12 -10.019 -3.433 3.241 1.00 0.00 C ATOM 0 H LEU A 12 -9.524 -2.954 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.039 -3.163 0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.030 -0.912 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.188 -1.394 2.176 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.953 -3.256 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.571 -2.264 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.881 -1.107 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.780 -0.976 3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.232 -4.004 3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.505 -2.783 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.754 -4.118 2.818 1.00 0.00 H new ATOM 153 N VAL A 13 -13.266 -1.159 -0.089 1.00 0.00 N ATOM 154 CA VAL A 13 -14.085 -0.209 -0.833 1.00 0.00 C ATOM 155 C VAL A 13 -14.549 0.935 0.062 1.00 0.00 C ATOM 156 O VAL A 13 -14.483 0.845 1.287 1.00 0.00 O ATOM 157 CB VAL A 13 -15.318 -0.894 -1.452 1.00 0.00 C ATOM 158 CG1 VAL A 13 -14.911 -1.753 -2.640 1.00 0.00 C ATOM 159 CG2 VAL A 13 -16.045 -1.726 -0.406 1.00 0.00 C ATOM 0 H VAL A 13 -13.697 -1.507 0.768 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.460 0.189 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.001 -0.123 -1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.795 -2.229 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.437 -1.127 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.209 -2.519 -2.311 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.914 -2.203 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.372 -2.491 -0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.371 -1.081 0.410 1.00 0.00 H new ATOM 169 N GLY A 14 -15.020 2.012 -0.560 1.00 0.00 N ATOM 170 CA GLY A 14 -15.488 3.159 0.195 1.00 0.00 C ATOM 171 C GLY A 14 -16.768 2.870 0.955 1.00 0.00 C ATOM 172 O GLY A 14 -17.304 3.742 1.639 1.00 0.00 O ATOM 0 H GLY A 14 -15.086 2.110 -1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.714 3.468 0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.654 3.995 -0.485 1.00 0.00 H new ATOM 176 N LYS A 15 -17.260 1.641 0.834 1.00 0.00 N ATOM 177 CA LYS A 15 -18.485 1.237 1.514 1.00 0.00 C ATOM 178 C LYS A 15 -18.170 0.522 2.824 1.00 0.00 C ATOM 179 O LYS A 15 -18.811 0.767 3.845 1.00 0.00 O ATOM 180 CB LYS A 15 -19.318 0.325 0.610 1.00 0.00 C ATOM 181 CG LYS A 15 -20.615 -0.143 1.247 1.00 0.00 C ATOM 182 CD LYS A 15 -21.074 -1.470 0.667 1.00 0.00 C ATOM 183 CE LYS A 15 -21.888 -1.271 -0.602 1.00 0.00 C ATOM 184 NZ LYS A 15 -22.157 -2.561 -1.296 1.00 0.00 N ATOM 0 H LYS A 15 -16.829 0.908 0.271 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.058 2.136 1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.548 0.855 -0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.722 -0.546 0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -20.477 -0.244 2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -21.389 0.609 1.094 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -20.206 -2.093 0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -21.673 -2.003 1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -22.833 -0.787 -0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -21.353 -0.601 -1.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.714 -2.383 -2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -21.256 -3.011 -1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -22.689 -3.191 -0.663 1.00 0.00 H new ATOM 198 N ASN A 16 -17.178 -0.362 2.787 1.00 0.00 N ATOM 199 CA ASN A 16 -16.777 -1.112 3.972 1.00 0.00 C ATOM 200 C ASN A 16 -15.274 -0.995 4.207 1.00 0.00 C ATOM 201 O ASN A 16 -14.652 -1.894 4.773 1.00 0.00 O ATOM 202 CB ASN A 16 -17.169 -2.583 3.826 1.00 0.00 C ATOM 203 CG ASN A 16 -16.394 -3.282 2.726 1.00 0.00 C ATOM 204 OD1 ASN A 16 -16.881 -3.431 1.605 1.00 0.00 O ATOM 205 ND2 ASN A 16 -15.179 -3.716 3.043 1.00 0.00 N ATOM 0 H ASN A 16 -16.637 -0.577 1.949 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.295 -0.689 4.832 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -16.997 -3.098 4.771 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.236 -2.652 3.615 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -14.610 -4.194 2.345 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.815 -3.571 3.985 1.00 0.00 H new ATOM 212 N PHE A 17 -14.697 0.118 3.768 1.00 0.00 N ATOM 213 CA PHE A 17 -13.267 0.353 3.930 1.00 0.00 C ATOM 214 C PHE A 17 -12.872 0.309 5.403 1.00 0.00 C ATOM 215 O PHE A 17 -12.059 -0.519 5.814 1.00 0.00 O ATOM 216 CB PHE A 17 -12.878 1.704 3.326 1.00 0.00 C ATOM 217 CG PHE A 17 -11.672 2.324 3.971 1.00 0.00 C ATOM 218 CD1 PHE A 17 -10.425 1.733 3.850 1.00 0.00 C ATOM 219 CD2 PHE A 17 -11.784 3.499 4.697 1.00 0.00 C ATOM 220 CE1 PHE A 17 -9.313 2.301 4.443 1.00 0.00 C ATOM 221 CE2 PHE A 17 -10.676 4.072 5.292 1.00 0.00 C ATOM 222 CZ PHE A 17 -9.439 3.472 5.164 1.00 0.00 C ATOM 0 H PHE A 17 -15.198 0.872 3.297 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.733 -0.439 3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.684 1.575 2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.721 2.389 3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.320 0.818 3.286 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.749 3.973 4.799 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.347 1.829 4.343 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.777 4.987 5.856 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.571 3.918 5.627 1.00 0.00 H new ATOM 232 N GLU A 18 -13.453 1.207 6.193 1.00 0.00 N ATOM 233 CA GLU A 18 -13.161 1.272 7.620 1.00 0.00 C ATOM 234 C GLU A 18 -13.544 -0.033 8.313 1.00 0.00 C ATOM 235 O GLU A 18 -12.869 -0.475 9.243 1.00 0.00 O ATOM 236 CB GLU A 18 -13.907 2.442 8.263 1.00 0.00 C ATOM 237 CG GLU A 18 -13.433 3.804 7.784 1.00 0.00 C ATOM 238 CD GLU A 18 -14.508 4.868 7.893 1.00 0.00 C ATOM 239 OE1 GLU A 18 -15.096 5.008 8.985 1.00 0.00 O ATOM 240 OE2 GLU A 18 -14.760 5.561 6.885 1.00 0.00 O ATOM 0 H GLU A 18 -14.128 1.899 5.869 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.088 1.426 7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.972 2.343 8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.790 2.386 9.345 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.565 4.109 8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.107 3.727 6.747 1.00 0.00 H new ATOM 247 N ASP A 19 -14.631 -0.642 7.854 1.00 0.00 N ATOM 248 CA ASP A 19 -15.105 -1.896 8.429 1.00 0.00 C ATOM 249 C ASP A 19 -13.983 -2.928 8.481 1.00 0.00 C ATOM 250 O ASP A 19 -13.860 -3.679 9.449 1.00 0.00 O ATOM 251 CB ASP A 19 -16.280 -2.442 7.617 1.00 0.00 C ATOM 252 CG ASP A 19 -17.616 -1.921 8.109 1.00 0.00 C ATOM 253 OD1 ASP A 19 -17.675 -0.746 8.530 1.00 0.00 O ATOM 254 OD2 ASP A 19 -18.602 -2.687 8.075 1.00 0.00 O ATOM 0 H ASP A 19 -15.201 -0.288 7.086 1.00 0.00 H new ATOM 0 HA ASP A 19 -15.439 -1.697 9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.151 -2.170 6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.277 -3.531 7.667 1.00 0.00 H new ATOM 259 N VAL A 20 -13.167 -2.961 7.432 1.00 0.00 N ATOM 260 CA VAL A 20 -12.055 -3.901 7.357 1.00 0.00 C ATOM 261 C VAL A 20 -10.765 -3.267 7.865 1.00 0.00 C ATOM 262 O VAL A 20 -10.091 -3.818 8.735 1.00 0.00 O ATOM 263 CB VAL A 20 -11.837 -4.399 5.916 1.00 0.00 C ATOM 264 CG1 VAL A 20 -10.532 -5.174 5.811 1.00 0.00 C ATOM 265 CG2 VAL A 20 -13.011 -5.254 5.465 1.00 0.00 C ATOM 0 H VAL A 20 -13.255 -2.347 6.622 1.00 0.00 H new ATOM 0 HA VAL A 20 -12.314 -4.749 7.991 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.772 -3.533 5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.395 -5.518 4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.701 -4.527 6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.564 -6.033 6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -12.840 -5.597 4.445 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.109 -6.115 6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.926 -4.663 5.501 1.00 0.00 H new ATOM 275 N ALA A 21 -10.426 -2.105 7.316 1.00 0.00 N ATOM 276 CA ALA A 21 -9.218 -1.394 7.714 1.00 0.00 C ATOM 277 C ALA A 21 -9.166 -1.206 9.227 1.00 0.00 C ATOM 278 O ALA A 21 -8.282 -1.739 9.898 1.00 0.00 O ATOM 279 CB ALA A 21 -9.141 -0.048 7.010 1.00 0.00 C ATOM 0 H ALA A 21 -10.972 -1.636 6.593 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.358 -1.995 7.418 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.233 0.472 7.317 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.123 -0.202 5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.011 0.552 7.277 1.00 0.00 H new ATOM 285 N PHE A 22 -10.117 -0.445 9.757 1.00 0.00 N ATOM 286 CA PHE A 22 -10.178 -0.185 11.191 1.00 0.00 C ATOM 287 C PHE A 22 -10.826 -1.354 11.928 1.00 0.00 C ATOM 288 O PHE A 22 -12.032 -1.354 12.174 1.00 0.00 O ATOM 289 CB PHE A 22 -10.959 1.102 11.465 1.00 0.00 C ATOM 290 CG PHE A 22 -10.300 2.332 10.909 1.00 0.00 C ATOM 291 CD1 PHE A 22 -9.150 2.841 11.491 1.00 0.00 C ATOM 292 CD2 PHE A 22 -10.831 2.980 9.806 1.00 0.00 C ATOM 293 CE1 PHE A 22 -8.543 3.973 10.983 1.00 0.00 C ATOM 294 CE2 PHE A 22 -10.228 4.113 9.293 1.00 0.00 C ATOM 295 CZ PHE A 22 -9.082 4.609 9.881 1.00 0.00 C ATOM 0 H PHE A 22 -10.856 0.003 9.215 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.158 -0.067 11.558 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -11.958 1.010 11.038 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.083 1.221 12.541 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.724 2.347 12.352 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.727 2.595 9.341 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.648 4.361 11.447 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.653 4.610 8.433 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.607 5.493 9.481 1.00 0.00 H new ATOM 305 N ASP A 23 -10.016 -2.347 12.277 1.00 0.00 N ATOM 306 CA ASP A 23 -10.509 -3.522 12.987 1.00 0.00 C ATOM 307 C ASP A 23 -9.698 -3.771 14.255 1.00 0.00 C ATOM 308 O ASP A 23 -8.485 -3.565 14.276 1.00 0.00 O ATOM 309 CB ASP A 23 -10.453 -4.752 12.080 1.00 0.00 C ATOM 310 CG ASP A 23 -11.349 -5.873 12.569 1.00 0.00 C ATOM 311 OD1 ASP A 23 -12.575 -5.653 12.664 1.00 0.00 O ATOM 312 OD2 ASP A 23 -10.825 -6.969 12.858 1.00 0.00 O ATOM 0 H ASP A 23 -9.015 -2.362 12.080 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.545 -3.337 13.271 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.749 -4.469 11.070 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.425 -5.111 12.022 1.00 0.00 H new ATOM 317 N GLU A 24 -10.377 -4.214 15.308 1.00 0.00 N ATOM 318 CA GLU A 24 -9.718 -4.489 16.580 1.00 0.00 C ATOM 319 C GLU A 24 -9.135 -5.899 16.597 1.00 0.00 C ATOM 320 O GLU A 24 -9.672 -6.813 15.971 1.00 0.00 O ATOM 321 CB GLU A 24 -10.704 -4.319 17.737 1.00 0.00 C ATOM 322 CG GLU A 24 -11.593 -5.531 17.963 1.00 0.00 C ATOM 323 CD GLU A 24 -12.925 -5.170 18.590 1.00 0.00 C ATOM 324 OE1 GLU A 24 -13.875 -4.873 17.836 1.00 0.00 O ATOM 325 OE2 GLU A 24 -13.017 -5.183 19.835 1.00 0.00 O ATOM 0 H GLU A 24 -11.382 -4.390 15.306 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.902 -3.776 16.699 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.147 -4.112 18.651 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.332 -3.449 17.543 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.768 -6.031 17.010 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.074 -6.242 18.606 1.00 0.00 H new ATOM 332 N LYS A 25 -8.032 -6.068 17.318 1.00 0.00 N ATOM 333 CA LYS A 25 -7.374 -7.365 17.418 1.00 0.00 C ATOM 334 C LYS A 25 -6.937 -7.862 16.044 1.00 0.00 C ATOM 335 O LYS A 25 -6.872 -9.067 15.800 1.00 0.00 O ATOM 336 CB LYS A 25 -8.311 -8.386 18.067 1.00 0.00 C ATOM 337 CG LYS A 25 -8.820 -7.962 19.434 1.00 0.00 C ATOM 338 CD LYS A 25 -7.799 -8.249 20.523 1.00 0.00 C ATOM 339 CE LYS A 25 -8.168 -7.561 21.828 1.00 0.00 C ATOM 340 NZ LYS A 25 -9.404 -8.135 22.428 1.00 0.00 N ATOM 0 H LYS A 25 -7.575 -5.322 17.842 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.487 -7.247 18.040 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.163 -8.555 17.408 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.788 -9.337 18.163 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.052 -6.897 19.423 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.748 -8.488 19.657 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.730 -9.325 20.684 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.815 -7.912 20.198 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.343 -7.656 22.534 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.312 -6.496 21.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.622 -7.639 23.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.197 -8.021 21.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.258 -9.146 22.623 1.00 0.00 H new ATOM 354 N LYS A 26 -6.638 -6.926 15.149 1.00 0.00 N ATOM 355 CA LYS A 26 -6.205 -7.268 13.800 1.00 0.00 C ATOM 356 C LYS A 26 -5.410 -6.124 13.177 1.00 0.00 C ATOM 357 O LYS A 26 -5.911 -5.008 13.047 1.00 0.00 O ATOM 358 CB LYS A 26 -7.414 -7.601 12.922 1.00 0.00 C ATOM 359 CG LYS A 26 -7.090 -7.666 11.440 1.00 0.00 C ATOM 360 CD LYS A 26 -6.501 -9.013 11.057 1.00 0.00 C ATOM 361 CE LYS A 26 -7.580 -10.077 10.925 1.00 0.00 C ATOM 362 NZ LYS A 26 -7.003 -11.424 10.664 1.00 0.00 N ATOM 0 H LYS A 26 -6.688 -5.924 15.334 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.559 -8.143 13.864 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.828 -8.559 13.237 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.188 -6.850 13.084 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.995 -7.486 10.860 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.386 -6.874 11.185 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.963 -8.921 10.114 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.775 -9.321 11.810 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.174 -10.107 11.839 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.257 -9.809 10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.581 -12.147 11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.993 -11.605 9.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.031 -11.462 11.031 1.00 0.00 H new ATOM 376 N ASN A 27 -4.171 -6.411 12.793 1.00 0.00 N ATOM 377 CA ASN A 27 -3.308 -5.406 12.183 1.00 0.00 C ATOM 378 C ASN A 27 -3.442 -5.424 10.663 1.00 0.00 C ATOM 379 O ASN A 27 -2.736 -6.163 9.976 1.00 0.00 O ATOM 380 CB ASN A 27 -1.850 -5.645 12.581 1.00 0.00 C ATOM 381 CG ASN A 27 -1.673 -5.769 14.082 1.00 0.00 C ATOM 382 OD1 ASN A 27 -1.431 -4.780 14.774 1.00 0.00 O ATOM 383 ND2 ASN A 27 -1.794 -6.989 14.593 1.00 0.00 N ATOM 0 H ASN A 27 -3.742 -7.331 12.893 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.620 -4.427 12.546 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.489 -6.554 12.099 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.236 -4.823 12.212 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.686 -7.135 15.597 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.995 -7.780 13.982 1.00 0.00 H new ATOM 390 N VAL A 28 -4.351 -4.605 10.145 1.00 0.00 N ATOM 391 CA VAL A 28 -4.577 -4.525 8.707 1.00 0.00 C ATOM 392 C VAL A 28 -3.693 -3.458 8.070 1.00 0.00 C ATOM 393 O VAL A 28 -3.570 -2.349 8.589 1.00 0.00 O ATOM 394 CB VAL A 28 -6.051 -4.214 8.386 1.00 0.00 C ATOM 395 CG1 VAL A 28 -6.274 -4.175 6.882 1.00 0.00 C ATOM 396 CG2 VAL A 28 -6.966 -5.237 9.042 1.00 0.00 C ATOM 0 H VAL A 28 -4.943 -3.987 10.700 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.321 -5.500 8.292 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.293 -3.231 8.790 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.321 -3.954 6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.646 -3.401 6.441 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.015 -5.142 6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.004 -5.002 8.805 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.725 -6.233 8.669 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.826 -5.210 10.123 1.00 0.00 H new ATOM 406 N PHE A 29 -3.081 -3.801 6.942 1.00 0.00 N ATOM 407 CA PHE A 29 -2.207 -2.872 6.233 1.00 0.00 C ATOM 408 C PHE A 29 -2.788 -2.513 4.869 1.00 0.00 C ATOM 409 O PHE A 29 -2.658 -3.270 3.907 1.00 0.00 O ATOM 410 CB PHE A 29 -0.813 -3.479 6.063 1.00 0.00 C ATOM 411 CG PHE A 29 0.172 -2.547 5.418 1.00 0.00 C ATOM 412 CD1 PHE A 29 0.009 -1.174 5.511 1.00 0.00 C ATOM 413 CD2 PHE A 29 1.260 -3.043 4.718 1.00 0.00 C ATOM 414 CE1 PHE A 29 0.914 -0.313 4.918 1.00 0.00 C ATOM 415 CE2 PHE A 29 2.168 -2.187 4.124 1.00 0.00 C ATOM 416 CZ PHE A 29 1.994 -0.821 4.223 1.00 0.00 C ATOM 0 H PHE A 29 -3.174 -4.715 6.499 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.129 -1.961 6.826 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.433 -3.776 7.041 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.891 -4.385 5.462 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.834 -0.772 6.053 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.400 -4.111 4.636 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.777 0.755 4.998 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.013 -2.586 3.583 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.701 -0.151 3.758 1.00 0.00 H new ATOM 426 N VAL A 30 -3.431 -1.351 4.794 1.00 0.00 N ATOM 427 CA VAL A 30 -4.032 -0.890 3.548 1.00 0.00 C ATOM 428 C VAL A 30 -2.999 -0.204 2.660 1.00 0.00 C ATOM 429 O VAL A 30 -1.956 0.242 3.137 1.00 0.00 O ATOM 430 CB VAL A 30 -5.193 0.086 3.813 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.919 0.417 2.518 1.00 0.00 C ATOM 432 CG2 VAL A 30 -6.154 -0.495 4.839 1.00 0.00 C ATOM 0 H VAL A 30 -3.549 -0.713 5.581 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.418 -1.772 3.037 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.782 1.011 4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.736 1.108 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.222 0.878 1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.319 -0.498 2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.968 0.208 5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.560 -1.435 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.623 -0.675 5.774 1.00 0.00 H new ATOM 442 N GLU A 31 -3.297 -0.125 1.367 1.00 0.00 N ATOM 443 CA GLU A 31 -2.393 0.507 0.413 1.00 0.00 C ATOM 444 C GLU A 31 -3.170 1.345 -0.599 1.00 0.00 C ATOM 445 O GLU A 31 -3.805 0.810 -1.507 1.00 0.00 O ATOM 446 CB GLU A 31 -1.564 -0.553 -0.315 1.00 0.00 C ATOM 447 CG GLU A 31 -1.002 -0.078 -1.645 1.00 0.00 C ATOM 448 CD GLU A 31 -0.306 -1.185 -2.413 1.00 0.00 C ATOM 449 OE1 GLU A 31 0.901 -1.402 -2.178 1.00 0.00 O ATOM 450 OE2 GLU A 31 -0.969 -1.834 -3.248 1.00 0.00 O ATOM 0 H GLU A 31 -4.156 -0.490 0.956 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.723 1.166 0.966 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.740 -0.863 0.328 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.184 -1.433 -0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.811 0.328 -2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.298 0.735 -1.468 1.00 0.00 H new ATOM 457 N PHE A 32 -3.113 2.662 -0.434 1.00 0.00 N ATOM 458 CA PHE A 32 -3.811 3.575 -1.331 1.00 0.00 C ATOM 459 C PHE A 32 -3.017 3.790 -2.616 1.00 0.00 C ATOM 460 O PHE A 32 -2.038 4.537 -2.637 1.00 0.00 O ATOM 461 CB PHE A 32 -4.054 4.918 -0.639 1.00 0.00 C ATOM 462 CG PHE A 32 -4.922 4.814 0.583 1.00 0.00 C ATOM 463 CD1 PHE A 32 -6.303 4.862 0.474 1.00 0.00 C ATOM 464 CD2 PHE A 32 -4.357 4.669 1.839 1.00 0.00 C ATOM 465 CE1 PHE A 32 -7.104 4.766 1.596 1.00 0.00 C ATOM 466 CE2 PHE A 32 -5.153 4.572 2.965 1.00 0.00 C ATOM 467 CZ PHE A 32 -6.528 4.622 2.844 1.00 0.00 C ATOM 0 H PHE A 32 -2.591 3.121 0.312 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.771 3.127 -1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.094 5.352 -0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.518 5.604 -1.347 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.758 4.976 -0.499 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.282 4.631 1.940 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.179 4.803 1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.700 4.457 3.939 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.152 4.549 3.723 1.00 0.00 H new ATOM 477 N TYR A 33 -3.443 3.128 -3.686 1.00 0.00 N ATOM 478 CA TYR A 33 -2.771 3.242 -4.974 1.00 0.00 C ATOM 479 C TYR A 33 -3.617 4.039 -5.962 1.00 0.00 C ATOM 480 O TYR A 33 -4.768 4.374 -5.682 1.00 0.00 O ATOM 481 CB TYR A 33 -2.474 1.854 -5.544 1.00 0.00 C ATOM 482 CG TYR A 33 -3.714 1.085 -5.940 1.00 0.00 C ATOM 483 CD1 TYR A 33 -4.407 1.396 -7.103 1.00 0.00 C ATOM 484 CD2 TYR A 33 -4.192 0.045 -5.152 1.00 0.00 C ATOM 485 CE1 TYR A 33 -5.541 0.697 -7.469 1.00 0.00 C ATOM 486 CE2 TYR A 33 -5.324 -0.661 -5.510 1.00 0.00 C ATOM 487 CZ TYR A 33 -5.995 -0.331 -6.669 1.00 0.00 C ATOM 488 OH TYR A 33 -7.123 -1.032 -7.030 1.00 0.00 O ATOM 0 H TYR A 33 -4.252 2.506 -3.686 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.831 3.772 -4.818 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.828 1.959 -6.415 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.920 1.277 -4.804 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.053 2.199 -7.733 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.669 -0.216 -4.244 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.069 0.954 -8.376 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.682 -1.467 -4.886 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.307 -1.723 -6.360 1.00 0.00 H new ATOM 498 N ALA A 34 -3.038 4.339 -7.120 1.00 0.00 N ATOM 499 CA ALA A 34 -3.739 5.094 -8.151 1.00 0.00 C ATOM 500 C ALA A 34 -3.676 4.377 -9.496 1.00 0.00 C ATOM 501 O ALA A 34 -2.634 3.862 -9.903 1.00 0.00 O ATOM 502 CB ALA A 34 -3.155 6.494 -8.270 1.00 0.00 C ATOM 0 H ALA A 34 -2.086 4.071 -7.367 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.786 5.173 -7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.688 7.046 -9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.258 7.013 -7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.100 6.427 -8.534 1.00 0.00 H new ATOM 508 N PRO A 35 -4.815 4.340 -10.202 1.00 0.00 N ATOM 509 CA PRO A 35 -4.914 3.688 -11.511 1.00 0.00 C ATOM 510 C PRO A 35 -4.152 4.444 -12.595 1.00 0.00 C ATOM 511 O PRO A 35 -4.085 4.002 -13.742 1.00 0.00 O ATOM 512 CB PRO A 35 -6.417 3.706 -11.804 1.00 0.00 C ATOM 513 CG PRO A 35 -6.942 4.857 -11.018 1.00 0.00 C ATOM 514 CD PRO A 35 -6.094 4.933 -9.778 1.00 0.00 C ATOM 0 HA PRO A 35 -4.479 2.689 -11.502 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.611 3.832 -12.869 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.890 2.772 -11.502 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.879 5.782 -11.591 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.992 4.710 -10.764 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.968 5.962 -9.440 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.540 4.379 -8.952 1.00 0.00 H new ATOM 522 N TRP A 36 -3.579 5.582 -12.223 1.00 0.00 N ATOM 523 CA TRP A 36 -2.820 6.399 -13.164 1.00 0.00 C ATOM 524 C TRP A 36 -1.388 6.598 -12.680 1.00 0.00 C ATOM 525 O TRP A 36 -0.484 6.855 -13.477 1.00 0.00 O ATOM 526 CB TRP A 36 -3.500 7.755 -13.357 1.00 0.00 C ATOM 527 CG TRP A 36 -4.275 8.208 -12.157 1.00 0.00 C ATOM 528 CD1 TRP A 36 -5.606 8.016 -11.921 1.00 0.00 C ATOM 529 CD2 TRP A 36 -3.766 8.929 -11.030 1.00 0.00 C ATOM 530 NE1 TRP A 36 -5.956 8.575 -10.715 1.00 0.00 N ATOM 531 CE2 TRP A 36 -4.844 9.140 -10.148 1.00 0.00 C ATOM 532 CE3 TRP A 36 -2.504 9.415 -10.678 1.00 0.00 C ATOM 533 CZ2 TRP A 36 -4.696 9.817 -8.941 1.00 0.00 C ATOM 534 CZ3 TRP A 36 -2.359 10.087 -9.480 1.00 0.00 C ATOM 535 CH2 TRP A 36 -3.449 10.283 -8.622 1.00 0.00 C ATOM 0 H TRP A 36 -3.625 5.961 -11.277 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.791 5.876 -14.120 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.743 8.502 -13.595 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.171 7.698 -14.214 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.284 7.500 -12.585 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.891 8.570 -10.308 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.657 9.268 -11.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.536 9.969 -8.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.388 10.468 -9.200 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.303 10.812 -7.692 1.00 0.00 H new ATOM 546 N CYS A 37 -1.188 6.479 -11.373 1.00 0.00 N ATOM 547 CA CYS A 37 0.136 6.647 -10.783 1.00 0.00 C ATOM 548 C CYS A 37 1.116 5.623 -11.348 1.00 0.00 C ATOM 549 O CYS A 37 0.893 4.417 -11.253 1.00 0.00 O ATOM 550 CB CYS A 37 0.060 6.513 -9.262 1.00 0.00 C ATOM 551 SG CYS A 37 1.671 6.486 -8.442 1.00 0.00 S ATOM 0 H CYS A 37 -1.925 6.267 -10.701 1.00 0.00 H new ATOM 0 HA CYS A 37 0.495 7.645 -11.035 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.525 7.342 -8.864 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.477 5.597 -9.015 1.00 0.00 H new ATOM 0 HG CYS A 37 1.929 7.663 -7.954 1.00 0.00 H new ATOM 557 N GLY A 38 2.202 6.114 -11.937 1.00 0.00 N ATOM 558 CA GLY A 38 3.199 5.229 -12.510 1.00 0.00 C ATOM 559 C GLY A 38 3.817 4.307 -11.478 1.00 0.00 C ATOM 560 O GLY A 38 3.990 3.113 -11.727 1.00 0.00 O ATOM 0 H GLY A 38 2.409 7.109 -12.028 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.740 4.632 -13.298 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.984 5.824 -12.977 1.00 0.00 H new ATOM 564 N HIS A 39 4.153 4.860 -10.317 1.00 0.00 N ATOM 565 CA HIS A 39 4.756 4.078 -9.244 1.00 0.00 C ATOM 566 C HIS A 39 3.835 2.940 -8.817 1.00 0.00 C ATOM 567 O HIS A 39 4.297 1.870 -8.418 1.00 0.00 O ATOM 568 CB HIS A 39 5.068 4.975 -8.045 1.00 0.00 C ATOM 569 CG HIS A 39 6.440 5.574 -8.087 1.00 0.00 C ATOM 570 ND1 HIS A 39 6.804 6.673 -7.338 1.00 0.00 N ATOM 571 CD2 HIS A 39 7.540 5.221 -8.792 1.00 0.00 C ATOM 572 CE1 HIS A 39 8.067 6.971 -7.582 1.00 0.00 C ATOM 573 NE2 HIS A 39 8.537 6.105 -8.461 1.00 0.00 N ATOM 0 H HIS A 39 4.018 5.846 -10.095 1.00 0.00 H new ATOM 0 HA HIS A 39 5.685 3.648 -9.619 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.331 5.777 -8.000 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.962 4.393 -7.129 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.619 4.397 -9.486 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.621 7.785 -7.138 1.00 0.00 H new ATOM 0 HE2 HIS A 39 9.486 6.094 -8.834 1.00 0.00 H new ATOM 582 N CYS A 40 2.531 3.177 -8.902 1.00 0.00 N ATOM 583 CA CYS A 40 1.544 2.172 -8.522 1.00 0.00 C ATOM 584 C CYS A 40 1.666 0.932 -9.402 1.00 0.00 C ATOM 585 O CYS A 40 1.756 -0.190 -8.903 1.00 0.00 O ATOM 586 CB CYS A 40 0.132 2.749 -8.626 1.00 0.00 C ATOM 587 SG CYS A 40 -1.157 1.506 -8.882 1.00 0.00 S ATOM 0 H CYS A 40 2.132 4.056 -9.231 1.00 0.00 H new ATOM 0 HA CYS A 40 1.735 1.883 -7.489 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.090 3.305 -7.715 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.102 3.462 -9.450 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.217 2.075 -9.374 1.00 0.00 H new ATOM 593 N LYS A 41 1.666 1.141 -10.714 1.00 0.00 N ATOM 594 CA LYS A 41 1.776 0.041 -11.665 1.00 0.00 C ATOM 595 C LYS A 41 2.891 -0.918 -11.260 1.00 0.00 C ATOM 596 O LYS A 41 2.878 -2.091 -11.634 1.00 0.00 O ATOM 597 CB LYS A 41 2.039 0.581 -13.072 1.00 0.00 C ATOM 598 CG LYS A 41 0.797 1.121 -13.759 1.00 0.00 C ATOM 599 CD LYS A 41 1.153 1.991 -14.953 1.00 0.00 C ATOM 600 CE LYS A 41 -0.088 2.594 -15.593 1.00 0.00 C ATOM 601 NZ LYS A 41 0.256 3.670 -16.563 1.00 0.00 N ATOM 0 H LYS A 41 1.591 2.063 -11.144 1.00 0.00 H new ATOM 0 HA LYS A 41 0.832 -0.505 -11.663 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.785 1.373 -13.014 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.465 -0.214 -13.683 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.171 0.291 -14.087 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.210 1.701 -13.047 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.824 2.789 -14.636 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.691 1.396 -15.691 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.650 1.812 -16.103 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.737 2.999 -14.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.616 4.056 -16.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.771 4.429 -16.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.854 3.278 -17.318 1.00 0.00 H new ATOM 615 N GLN A 42 3.852 -0.413 -10.494 1.00 0.00 N ATOM 616 CA GLN A 42 4.973 -1.226 -10.038 1.00 0.00 C ATOM 617 C GLN A 42 4.681 -1.840 -8.673 1.00 0.00 C ATOM 618 O GLN A 42 5.228 -2.887 -8.322 1.00 0.00 O ATOM 619 CB GLN A 42 6.247 -0.383 -9.969 1.00 0.00 C ATOM 620 CG GLN A 42 6.718 0.121 -11.324 1.00 0.00 C ATOM 621 CD GLN A 42 8.209 0.391 -11.360 1.00 0.00 C ATOM 622 OE1 GLN A 42 8.990 -0.282 -10.686 1.00 0.00 O ATOM 623 NE2 GLN A 42 8.613 1.379 -12.150 1.00 0.00 N ATOM 0 H GLN A 42 3.877 0.556 -10.176 1.00 0.00 H new ATOM 0 HA GLN A 42 5.119 -2.034 -10.755 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.073 0.471 -9.314 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.041 -0.976 -9.515 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.467 -0.615 -12.088 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.181 1.036 -11.574 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.931 1.911 -12.691 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.605 1.606 -12.216 1.00 0.00 H new ATOM 632 N LEU A 43 3.816 -1.184 -7.908 1.00 0.00 N ATOM 633 CA LEU A 43 3.451 -1.666 -6.580 1.00 0.00 C ATOM 634 C LEU A 43 2.373 -2.742 -6.668 1.00 0.00 C ATOM 635 O LEU A 43 2.160 -3.500 -5.723 1.00 0.00 O ATOM 636 CB LEU A 43 2.959 -0.506 -5.713 1.00 0.00 C ATOM 637 CG LEU A 43 3.017 -0.726 -4.201 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.460 -0.821 -3.730 1.00 0.00 C ATOM 639 CD2 LEU A 43 2.288 0.392 -3.470 1.00 0.00 C ATOM 0 H LEU A 43 3.354 -0.317 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 43 4.339 -2.103 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.550 0.378 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.928 -0.285 -5.988 1.00 0.00 H new ATOM 0 HG LEU A 43 2.519 -1.668 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.481 -0.978 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.951 -1.657 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.984 0.104 -3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.340 0.218 -2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.757 1.347 -3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.244 0.412 -3.784 1.00 0.00 H new ATOM 651 N ALA A 44 1.698 -2.804 -7.812 1.00 0.00 N ATOM 652 CA ALA A 44 0.646 -3.790 -8.025 1.00 0.00 C ATOM 653 C ALA A 44 1.134 -5.194 -7.686 1.00 0.00 C ATOM 654 O ALA A 44 0.529 -5.912 -6.889 1.00 0.00 O ATOM 655 CB ALA A 44 0.154 -3.733 -9.463 1.00 0.00 C ATOM 0 H ALA A 44 1.861 -2.183 -8.605 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.183 -3.551 -7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.632 -4.475 -9.608 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.242 -2.739 -9.673 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.982 -3.944 -10.140 1.00 0.00 H new ATOM 661 N PRO A 45 2.252 -5.599 -8.306 1.00 0.00 N ATOM 662 CA PRO A 45 2.845 -6.922 -8.085 1.00 0.00 C ATOM 663 C PRO A 45 3.449 -7.061 -6.692 1.00 0.00 C ATOM 664 O PRO A 45 3.186 -8.035 -5.986 1.00 0.00 O ATOM 665 CB PRO A 45 3.939 -7.002 -9.153 1.00 0.00 C ATOM 666 CG PRO A 45 4.295 -5.584 -9.439 1.00 0.00 C ATOM 667 CD PRO A 45 3.025 -4.797 -9.269 1.00 0.00 C ATOM 0 HA PRO A 45 2.104 -7.718 -8.154 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.802 -7.562 -8.794 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.581 -7.509 -10.049 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.068 -5.230 -8.757 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.689 -5.476 -10.450 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.222 -3.794 -8.890 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.494 -4.682 -10.214 1.00 0.00 H new ATOM 675 N ILE A 46 4.259 -6.082 -6.302 1.00 0.00 N ATOM 676 CA ILE A 46 4.898 -6.096 -4.992 1.00 0.00 C ATOM 677 C ILE A 46 3.863 -6.195 -3.877 1.00 0.00 C ATOM 678 O ILE A 46 4.064 -6.905 -2.891 1.00 0.00 O ATOM 679 CB ILE A 46 5.756 -4.837 -4.771 1.00 0.00 C ATOM 680 CG1 ILE A 46 6.772 -4.680 -5.904 1.00 0.00 C ATOM 681 CG2 ILE A 46 6.462 -4.906 -3.425 1.00 0.00 C ATOM 682 CD1 ILE A 46 7.101 -3.239 -6.227 1.00 0.00 C ATOM 0 H ILE A 46 4.488 -5.270 -6.875 1.00 0.00 H new ATOM 0 HA ILE A 46 5.543 -6.974 -4.965 1.00 0.00 H new ATOM 0 HB ILE A 46 5.102 -3.965 -4.772 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.690 -5.201 -5.633 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.383 -5.165 -6.799 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.065 -4.009 -3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.721 -4.975 -2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.107 -5.784 -3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.827 -3.205 -7.039 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.193 -2.718 -6.530 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.520 -2.755 -5.345 1.00 0.00 H new ATOM 694 N TRP A 47 2.756 -5.481 -4.040 1.00 0.00 N ATOM 695 CA TRP A 47 1.688 -5.489 -3.047 1.00 0.00 C ATOM 696 C TRP A 47 0.949 -6.823 -3.053 1.00 0.00 C ATOM 697 O TRP A 47 0.541 -7.322 -2.005 1.00 0.00 O ATOM 698 CB TRP A 47 0.706 -4.347 -3.313 1.00 0.00 C ATOM 699 CG TRP A 47 -0.204 -4.064 -2.157 1.00 0.00 C ATOM 700 CD1 TRP A 47 -1.559 -4.235 -2.119 1.00 0.00 C ATOM 701 CD2 TRP A 47 0.174 -3.559 -0.872 1.00 0.00 C ATOM 702 NE1 TRP A 47 -2.045 -3.866 -0.888 1.00 0.00 N ATOM 703 CE2 TRP A 47 -1.002 -3.449 -0.104 1.00 0.00 C ATOM 704 CE3 TRP A 47 1.392 -3.192 -0.293 1.00 0.00 C ATOM 705 CZ2 TRP A 47 -0.993 -2.986 1.208 1.00 0.00 C ATOM 706 CZ3 TRP A 47 1.399 -2.732 1.010 1.00 0.00 C ATOM 707 CH2 TRP A 47 0.213 -2.633 1.749 1.00 0.00 C ATOM 0 H TRP A 47 2.574 -4.889 -4.850 1.00 0.00 H new ATOM 0 HA TRP A 47 2.139 -5.349 -2.065 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.267 -3.444 -3.554 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.104 -4.592 -4.188 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.160 -4.606 -2.936 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.024 -3.897 -0.604 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.312 -3.267 -0.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.906 -2.908 1.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.335 -2.444 1.466 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.251 -2.271 2.766 1.00 0.00 H new ATOM 718 N ASP A 48 0.781 -7.395 -4.240 1.00 0.00 N ATOM 719 CA ASP A 48 0.092 -8.673 -4.383 1.00 0.00 C ATOM 720 C ASP A 48 0.957 -9.817 -3.864 1.00 0.00 C ATOM 721 O ASP A 48 0.444 -10.834 -3.395 1.00 0.00 O ATOM 722 CB ASP A 48 -0.276 -8.918 -5.847 1.00 0.00 C ATOM 723 CG ASP A 48 -0.323 -10.393 -6.193 1.00 0.00 C ATOM 724 OD1 ASP A 48 0.735 -11.053 -6.123 1.00 0.00 O ATOM 725 OD2 ASP A 48 -1.418 -10.888 -6.533 1.00 0.00 O ATOM 0 H ASP A 48 1.112 -6.994 -5.117 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.821 -8.634 -3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.247 -8.468 -6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.450 -8.420 -6.489 1.00 0.00 H new ATOM 730 N LYS A 49 2.271 -9.646 -3.952 1.00 0.00 N ATOM 731 CA LYS A 49 3.209 -10.663 -3.492 1.00 0.00 C ATOM 732 C LYS A 49 3.298 -10.672 -1.969 1.00 0.00 C ATOM 733 O LYS A 49 3.537 -11.714 -1.357 1.00 0.00 O ATOM 734 CB LYS A 49 4.595 -10.418 -4.093 1.00 0.00 C ATOM 735 CG LYS A 49 4.705 -10.824 -5.552 1.00 0.00 C ATOM 736 CD LYS A 49 5.750 -9.999 -6.283 1.00 0.00 C ATOM 737 CE LYS A 49 7.155 -10.318 -5.795 1.00 0.00 C ATOM 738 NZ LYS A 49 7.616 -11.653 -6.268 1.00 0.00 N ATOM 0 H LYS A 49 2.712 -8.811 -4.338 1.00 0.00 H new ATOM 0 HA LYS A 49 2.843 -11.635 -3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.841 -9.360 -3.999 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.336 -10.970 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.963 -11.881 -5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.737 -10.701 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.683 -10.192 -7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.545 -8.938 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.845 -9.550 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.176 -10.291 -4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.617 -11.784 -6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.045 -12.397 -5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.508 -11.712 -7.301 1.00 0.00 H new ATOM 752 N LEU A 50 3.102 -9.506 -1.363 1.00 0.00 N ATOM 753 CA LEU A 50 3.159 -9.380 0.089 1.00 0.00 C ATOM 754 C LEU A 50 1.831 -9.780 0.723 1.00 0.00 C ATOM 755 O LEU A 50 1.797 -10.350 1.813 1.00 0.00 O ATOM 756 CB LEU A 50 3.513 -7.945 0.483 1.00 0.00 C ATOM 757 CG LEU A 50 2.946 -7.455 1.816 1.00 0.00 C ATOM 758 CD1 LEU A 50 3.692 -8.091 2.979 1.00 0.00 C ATOM 759 CD2 LEU A 50 3.017 -5.937 1.900 1.00 0.00 C ATOM 0 H LEU A 50 2.902 -8.635 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 50 3.934 -10.053 0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.599 -7.857 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.165 -7.277 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 50 1.899 -7.753 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.275 -7.731 3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.589 -9.175 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.747 -7.824 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.609 -5.606 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.056 -5.616 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.437 -5.500 1.087 1.00 0.00 H new ATOM 771 N GLY A 51 0.736 -9.479 0.031 1.00 0.00 N ATOM 772 CA GLY A 51 -0.580 -9.816 0.541 1.00 0.00 C ATOM 773 C GLY A 51 -0.775 -11.311 0.699 1.00 0.00 C ATOM 774 O GLY A 51 -1.393 -11.764 1.662 1.00 0.00 O ATOM 0 H GLY A 51 0.737 -9.008 -0.874 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.728 -9.329 1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.340 -9.423 -0.135 1.00 0.00 H new ATOM 778 N GLU A 52 -0.248 -12.079 -0.250 1.00 0.00 N ATOM 779 CA GLU A 52 -0.370 -13.531 -0.212 1.00 0.00 C ATOM 780 C GLU A 52 0.424 -14.113 0.954 1.00 0.00 C ATOM 781 O GLU A 52 0.135 -15.212 1.431 1.00 0.00 O ATOM 782 CB GLU A 52 0.115 -14.141 -1.529 1.00 0.00 C ATOM 783 CG GLU A 52 1.612 -14.395 -1.566 1.00 0.00 C ATOM 784 CD GLU A 52 2.037 -15.202 -2.778 1.00 0.00 C ATOM 785 OE1 GLU A 52 2.067 -14.632 -3.889 1.00 0.00 O ATOM 786 OE2 GLU A 52 2.338 -16.403 -2.616 1.00 0.00 O ATOM 0 H GLU A 52 0.267 -11.720 -1.054 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.422 -13.778 -0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.409 -15.082 -1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.152 -13.474 -2.349 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.139 -13.441 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.910 -14.923 -0.660 1.00 0.00 H new ATOM 793 N THR A 53 1.427 -13.370 1.409 1.00 0.00 N ATOM 794 CA THR A 53 2.265 -13.811 2.517 1.00 0.00 C ATOM 795 C THR A 53 1.514 -13.729 3.841 1.00 0.00 C ATOM 796 O THR A 53 1.750 -14.525 4.750 1.00 0.00 O ATOM 797 CB THR A 53 3.552 -12.971 2.618 1.00 0.00 C ATOM 798 OG1 THR A 53 4.340 -13.138 1.433 1.00 0.00 O ATOM 799 CG2 THR A 53 4.368 -13.375 3.836 1.00 0.00 C ATOM 0 H THR A 53 1.679 -12.459 1.027 1.00 0.00 H new ATOM 0 HA THR A 53 2.532 -14.849 2.317 1.00 0.00 H new ATOM 0 HB THR A 53 3.269 -11.924 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.935 -12.633 0.697 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.272 -12.768 3.886 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.776 -13.220 4.738 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.641 -14.427 3.758 1.00 0.00 H new ATOM 807 N TYR A 54 0.608 -12.763 3.943 1.00 0.00 N ATOM 808 CA TYR A 54 -0.177 -12.576 5.157 1.00 0.00 C ATOM 809 C TYR A 54 -1.670 -12.690 4.864 1.00 0.00 C ATOM 810 O TYR A 54 -2.496 -12.070 5.533 1.00 0.00 O ATOM 811 CB TYR A 54 0.128 -11.214 5.783 1.00 0.00 C ATOM 812 CG TYR A 54 1.594 -11.001 6.084 1.00 0.00 C ATOM 813 CD1 TYR A 54 2.481 -10.619 5.085 1.00 0.00 C ATOM 814 CD2 TYR A 54 2.093 -11.181 7.369 1.00 0.00 C ATOM 815 CE1 TYR A 54 3.822 -10.425 5.357 1.00 0.00 C ATOM 816 CE2 TYR A 54 3.431 -10.987 7.650 1.00 0.00 C ATOM 817 CZ TYR A 54 4.292 -10.609 6.640 1.00 0.00 C ATOM 818 OH TYR A 54 5.626 -10.415 6.915 1.00 0.00 O ATOM 0 H TYR A 54 0.399 -12.097 3.199 1.00 0.00 H new ATOM 0 HA TYR A 54 0.098 -13.362 5.861 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.214 -10.429 5.109 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.442 -11.112 6.706 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.116 -10.471 4.079 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.422 -11.478 8.162 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.499 -10.131 4.568 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.801 -11.130 8.654 1.00 0.00 H new ATOM 0 HH TYR A 54 5.792 -10.585 7.866 1.00 0.00 H new ATOM 828 N LYS A 55 -2.009 -13.490 3.858 1.00 0.00 N ATOM 829 CA LYS A 55 -3.401 -13.689 3.474 1.00 0.00 C ATOM 830 C LYS A 55 -4.105 -14.629 4.448 1.00 0.00 C ATOM 831 O LYS A 55 -5.310 -14.517 4.673 1.00 0.00 O ATOM 832 CB LYS A 55 -3.485 -14.254 2.054 1.00 0.00 C ATOM 833 CG LYS A 55 -3.280 -15.757 1.985 1.00 0.00 C ATOM 834 CD LYS A 55 -2.724 -16.182 0.636 1.00 0.00 C ATOM 835 CE LYS A 55 -3.675 -15.824 -0.497 1.00 0.00 C ATOM 836 NZ LYS A 55 -4.631 -16.928 -0.787 1.00 0.00 N ATOM 0 H LYS A 55 -1.338 -14.011 3.294 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.901 -12.721 3.504 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.459 -14.009 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.735 -13.764 1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.597 -16.069 2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.228 -16.263 2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.761 -15.700 0.470 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.546 -17.257 0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.229 -14.923 -0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.101 -15.595 -1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.262 -16.646 -1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.103 -17.781 -1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.197 -17.129 0.062 1.00 0.00 H new ATOM 850 N ASP A 56 -3.344 -15.554 5.024 1.00 0.00 N ATOM 851 CA ASP A 56 -3.895 -16.511 5.977 1.00 0.00 C ATOM 852 C ASP A 56 -3.321 -16.281 7.372 1.00 0.00 C ATOM 853 O ASP A 56 -3.308 -17.187 8.206 1.00 0.00 O ATOM 854 CB ASP A 56 -3.602 -17.941 5.521 1.00 0.00 C ATOM 855 CG ASP A 56 -2.177 -18.363 5.817 1.00 0.00 C ATOM 856 OD1 ASP A 56 -1.268 -17.955 5.062 1.00 0.00 O ATOM 857 OD2 ASP A 56 -1.969 -19.101 6.803 1.00 0.00 O ATOM 0 H ASP A 56 -2.345 -15.661 4.848 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.974 -16.365 6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.291 -18.625 6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.787 -18.023 4.450 1.00 0.00 H new ATOM 862 N HIS A 57 -2.846 -15.064 7.617 1.00 0.00 N ATOM 863 CA HIS A 57 -2.270 -14.715 8.911 1.00 0.00 C ATOM 864 C HIS A 57 -3.341 -14.702 9.997 1.00 0.00 C ATOM 865 O HIS A 57 -4.499 -15.031 9.743 1.00 0.00 O ATOM 866 CB HIS A 57 -1.586 -13.350 8.837 1.00 0.00 C ATOM 867 CG HIS A 57 -0.318 -13.271 9.631 1.00 0.00 C ATOM 868 ND1 HIS A 57 -0.277 -12.853 10.944 1.00 0.00 N ATOM 869 CD2 HIS A 57 0.959 -13.562 9.290 1.00 0.00 C ATOM 870 CE1 HIS A 57 0.971 -12.888 11.376 1.00 0.00 C ATOM 871 NE2 HIS A 57 1.741 -13.316 10.392 1.00 0.00 N ATOM 0 H HIS A 57 -2.848 -14.304 6.937 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.528 -15.472 9.166 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.367 -13.119 7.795 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.277 -12.587 9.195 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.300 -13.921 8.330 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.305 -12.613 12.366 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.752 -13.443 10.442 1.00 0.00 H new ATOM 880 N GLU A 58 -2.946 -14.321 11.208 1.00 0.00 N ATOM 881 CA GLU A 58 -3.873 -14.267 12.332 1.00 0.00 C ATOM 882 C GLU A 58 -4.306 -12.831 12.612 1.00 0.00 C ATOM 883 O GLU A 58 -5.496 -12.545 12.742 1.00 0.00 O ATOM 884 CB GLU A 58 -3.229 -14.870 13.582 1.00 0.00 C ATOM 885 CG GLU A 58 -2.236 -13.943 14.263 1.00 0.00 C ATOM 886 CD GLU A 58 -1.494 -14.616 15.401 1.00 0.00 C ATOM 887 OE1 GLU A 58 -2.082 -14.751 16.494 1.00 0.00 O ATOM 888 OE2 GLU A 58 -0.326 -15.008 15.198 1.00 0.00 O ATOM 0 H GLU A 58 -1.991 -14.045 11.435 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.756 -14.850 12.070 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.012 -15.134 14.292 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.721 -15.795 13.309 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.516 -13.584 13.527 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.764 -13.069 14.645 1.00 0.00 H new ATOM 895 N ASN A 59 -3.332 -11.932 12.702 1.00 0.00 N ATOM 896 CA ASN A 59 -3.611 -10.526 12.968 1.00 0.00 C ATOM 897 C ASN A 59 -3.183 -9.654 11.791 1.00 0.00 C ATOM 898 O ASN A 59 -3.754 -8.590 11.553 1.00 0.00 O ATOM 899 CB ASN A 59 -2.894 -10.073 14.241 1.00 0.00 C ATOM 900 CG ASN A 59 -1.387 -10.033 14.072 1.00 0.00 C ATOM 901 OD1 ASN A 59 -0.833 -9.052 13.575 1.00 0.00 O ATOM 902 ND2 ASN A 59 -0.717 -11.102 14.485 1.00 0.00 N ATOM 0 H ASN A 59 -2.342 -12.152 12.595 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.686 -10.415 13.107 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.252 -9.083 14.524 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.148 -10.749 15.058 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.299 -11.133 14.396 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.218 -11.892 14.891 1.00 0.00 H new ATOM 909 N ILE A 60 -2.174 -10.114 11.059 1.00 0.00 N ATOM 910 CA ILE A 60 -1.670 -9.378 9.906 1.00 0.00 C ATOM 911 C ILE A 60 -2.530 -9.630 8.673 1.00 0.00 C ATOM 912 O ILE A 60 -2.534 -10.730 8.120 1.00 0.00 O ATOM 913 CB ILE A 60 -0.212 -9.759 9.588 1.00 0.00 C ATOM 914 CG1 ILE A 60 0.661 -9.613 10.836 1.00 0.00 C ATOM 915 CG2 ILE A 60 0.326 -8.898 8.455 1.00 0.00 C ATOM 916 CD1 ILE A 60 2.121 -9.924 10.592 1.00 0.00 C ATOM 0 H ILE A 60 -1.690 -10.992 11.244 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.712 -8.320 10.165 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.186 -10.801 9.270 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.573 -8.594 11.214 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.282 -10.275 11.614 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.357 -9.179 8.242 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.283 -9.048 7.563 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.289 -7.848 8.747 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.679 -9.800 11.520 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.221 -10.952 10.243 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.516 -9.245 9.837 1.00 0.00 H new ATOM 928 N VAL A 61 -3.258 -8.603 8.246 1.00 0.00 N ATOM 929 CA VAL A 61 -4.121 -8.712 7.076 1.00 0.00 C ATOM 930 C VAL A 61 -3.809 -7.620 6.059 1.00 0.00 C ATOM 931 O VAL A 61 -3.968 -6.432 6.340 1.00 0.00 O ATOM 932 CB VAL A 61 -5.609 -8.625 7.466 1.00 0.00 C ATOM 933 CG1 VAL A 61 -6.444 -8.152 6.285 1.00 0.00 C ATOM 934 CG2 VAL A 61 -6.105 -9.969 7.976 1.00 0.00 C ATOM 0 H VAL A 61 -3.267 -7.686 8.693 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.926 -9.687 6.629 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.714 -7.896 8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.492 -8.097 6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.103 -7.166 5.970 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.336 -8.854 5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.158 -9.889 8.247 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.987 -10.720 7.195 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.526 -10.262 8.852 1.00 0.00 H new ATOM 944 N ILE A 62 -3.365 -8.031 4.876 1.00 0.00 N ATOM 945 CA ILE A 62 -3.032 -7.088 3.816 1.00 0.00 C ATOM 946 C ILE A 62 -4.256 -6.756 2.971 1.00 0.00 C ATOM 947 O ILE A 62 -5.034 -7.639 2.613 1.00 0.00 O ATOM 948 CB ILE A 62 -1.923 -7.639 2.900 1.00 0.00 C ATOM 949 CG1 ILE A 62 -0.652 -7.910 3.707 1.00 0.00 C ATOM 950 CG2 ILE A 62 -1.640 -6.664 1.766 1.00 0.00 C ATOM 951 CD1 ILE A 62 -0.001 -6.657 4.248 1.00 0.00 C ATOM 0 H ILE A 62 -3.228 -9.011 4.628 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.673 -6.181 4.302 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.263 -8.580 2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.894 -8.572 4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.063 -8.438 3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.854 -7.067 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.546 -6.517 1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.317 -5.709 2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.894 -6.925 4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.272 -6.003 3.420 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.699 -6.139 4.905 1.00 0.00 H new ATOM 963 N ALA A 63 -4.420 -5.475 2.653 1.00 0.00 N ATOM 964 CA ALA A 63 -5.548 -5.027 1.846 1.00 0.00 C ATOM 965 C ALA A 63 -5.160 -3.839 0.972 1.00 0.00 C ATOM 966 O ALA A 63 -4.226 -3.101 1.288 1.00 0.00 O ATOM 967 CB ALA A 63 -6.725 -4.665 2.740 1.00 0.00 C ATOM 0 H ALA A 63 -3.786 -4.730 2.942 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.842 -5.846 1.190 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.561 -4.332 2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.026 -5.539 3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.433 -3.864 3.419 1.00 0.00 H new ATOM 973 N LYS A 64 -5.882 -3.659 -0.129 1.00 0.00 N ATOM 974 CA LYS A 64 -5.614 -2.560 -1.049 1.00 0.00 C ATOM 975 C LYS A 64 -6.892 -1.791 -1.365 1.00 0.00 C ATOM 976 O LYS A 64 -7.975 -2.372 -1.437 1.00 0.00 O ATOM 977 CB LYS A 64 -4.993 -3.092 -2.343 1.00 0.00 C ATOM 978 CG LYS A 64 -5.949 -3.924 -3.179 1.00 0.00 C ATOM 979 CD LYS A 64 -5.324 -4.329 -4.504 1.00 0.00 C ATOM 980 CE LYS A 64 -6.309 -5.094 -5.374 1.00 0.00 C ATOM 981 NZ LYS A 64 -5.689 -5.538 -6.654 1.00 0.00 N ATOM 0 H LYS A 64 -6.658 -4.261 -0.406 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.911 -1.879 -0.568 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.640 -2.251 -2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.120 -3.696 -2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.237 -4.817 -2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.861 -3.356 -3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.984 -3.439 -5.034 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.445 -4.946 -4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.677 -5.963 -4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.171 -4.463 -5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.392 -6.056 -7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.360 -4.708 -7.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.881 -6.161 -6.451 1.00 0.00 H new ATOM 995 N MET A 65 -6.759 -0.482 -1.554 1.00 0.00 N ATOM 996 CA MET A 65 -7.904 0.365 -1.864 1.00 0.00 C ATOM 997 C MET A 65 -7.532 1.425 -2.896 1.00 0.00 C ATOM 998 O MET A 65 -6.374 1.835 -2.988 1.00 0.00 O ATOM 999 CB MET A 65 -8.430 1.036 -0.594 1.00 0.00 C ATOM 1000 CG MET A 65 -9.825 1.619 -0.747 1.00 0.00 C ATOM 1001 SD MET A 65 -10.554 2.098 0.831 1.00 0.00 S ATOM 1002 CE MET A 65 -10.961 3.813 0.509 1.00 0.00 C ATOM 0 H MET A 65 -5.870 0.015 -1.498 1.00 0.00 H new ATOM 0 HA MET A 65 -8.688 -0.266 -2.283 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.437 0.307 0.216 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.743 1.830 -0.302 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.781 2.489 -1.402 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.469 0.887 -1.233 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.672 4.422 1.365 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.425 4.154 -0.377 1.00 0.00 H new ATOM 0 HE3 MET A 65 -12.034 3.907 0.342 1.00 0.00 H new ATOM 1012 N ASP A 66 -8.519 1.865 -3.669 1.00 0.00 N ATOM 1013 CA ASP A 66 -8.294 2.878 -4.693 1.00 0.00 C ATOM 1014 C ASP A 66 -8.734 4.254 -4.202 1.00 0.00 C ATOM 1015 O ASP A 66 -9.925 4.561 -4.170 1.00 0.00 O ATOM 1016 CB ASP A 66 -9.048 2.515 -5.974 1.00 0.00 C ATOM 1017 CG ASP A 66 -8.784 3.496 -7.099 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -8.022 4.460 -6.878 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -9.341 3.301 -8.200 1.00 0.00 O ATOM 0 H ASP A 66 -9.482 1.536 -3.606 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.226 2.913 -4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.756 1.514 -6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.118 2.484 -5.766 1.00 0.00 H new ATOM 1024 N SER A 67 -7.763 5.078 -3.820 1.00 0.00 N ATOM 1025 CA SER A 67 -8.050 6.420 -3.326 1.00 0.00 C ATOM 1026 C SER A 67 -8.638 7.292 -4.432 1.00 0.00 C ATOM 1027 O SER A 67 -9.340 8.267 -4.163 1.00 0.00 O ATOM 1028 CB SER A 67 -6.778 7.065 -2.773 1.00 0.00 C ATOM 1029 OG SER A 67 -7.089 8.109 -1.866 1.00 0.00 O ATOM 0 H SER A 67 -6.771 4.840 -3.843 1.00 0.00 H new ATOM 0 HA SER A 67 -8.784 6.337 -2.525 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.173 6.311 -2.270 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.179 7.459 -3.594 1.00 0.00 H new ATOM 0 HG SER A 67 -7.886 8.586 -2.178 1.00 0.00 H new ATOM 1035 N THR A 68 -8.345 6.934 -5.678 1.00 0.00 N ATOM 1036 CA THR A 68 -8.841 7.683 -6.825 1.00 0.00 C ATOM 1037 C THR A 68 -10.250 7.239 -7.203 1.00 0.00 C ATOM 1038 O THR A 68 -10.917 7.882 -8.013 1.00 0.00 O ATOM 1039 CB THR A 68 -7.918 7.517 -8.047 1.00 0.00 C ATOM 1040 OG1 THR A 68 -8.286 6.346 -8.784 1.00 0.00 O ATOM 1041 CG2 THR A 68 -6.463 7.414 -7.616 1.00 0.00 C ATOM 0 H THR A 68 -7.766 6.129 -5.918 1.00 0.00 H new ATOM 0 HA THR A 68 -8.859 8.733 -6.533 1.00 0.00 H new ATOM 0 HB THR A 68 -8.031 8.396 -8.682 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.111 5.549 -8.241 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.830 7.297 -8.496 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.177 8.320 -7.081 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.337 6.551 -6.962 1.00 0.00 H new ATOM 1049 N ALA A 69 -10.697 6.136 -6.612 1.00 0.00 N ATOM 1050 CA ALA A 69 -12.028 5.608 -6.885 1.00 0.00 C ATOM 1051 C ALA A 69 -12.859 5.529 -5.609 1.00 0.00 C ATOM 1052 O ALA A 69 -14.075 5.344 -5.660 1.00 0.00 O ATOM 1053 CB ALA A 69 -11.928 4.238 -7.538 1.00 0.00 C ATOM 0 H ALA A 69 -10.157 5.590 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.529 6.290 -7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.929 3.856 -7.736 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.379 4.321 -8.476 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.404 3.554 -6.870 1.00 0.00 H new ATOM 1059 N ASN A 70 -12.196 5.670 -4.466 1.00 0.00 N ATOM 1060 CA ASN A 70 -12.875 5.613 -3.176 1.00 0.00 C ATOM 1061 C ASN A 70 -12.300 6.647 -2.213 1.00 0.00 C ATOM 1062 O ASN A 70 -11.125 6.589 -1.853 1.00 0.00 O ATOM 1063 CB ASN A 70 -12.750 4.213 -2.572 1.00 0.00 C ATOM 1064 CG ASN A 70 -13.329 3.140 -3.474 1.00 0.00 C ATOM 1065 OD1 ASN A 70 -14.546 3.023 -3.616 1.00 0.00 O ATOM 1066 ND2 ASN A 70 -12.457 2.350 -4.090 1.00 0.00 N ATOM 0 H ASN A 70 -11.190 5.825 -4.406 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.929 5.839 -3.338 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.699 3.995 -2.381 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.260 4.189 -1.609 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.788 1.611 -4.710 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.456 2.483 -3.943 1.00 0.00 H new ATOM 1073 N GLU A 71 -13.138 7.593 -1.801 1.00 0.00 N ATOM 1074 CA GLU A 71 -12.713 8.641 -0.879 1.00 0.00 C ATOM 1075 C GLU A 71 -13.313 8.423 0.507 1.00 0.00 C ATOM 1076 O GLU A 71 -14.473 8.030 0.639 1.00 0.00 O ATOM 1077 CB GLU A 71 -13.120 10.016 -1.413 1.00 0.00 C ATOM 1078 CG GLU A 71 -14.583 10.353 -1.174 1.00 0.00 C ATOM 1079 CD GLU A 71 -15.123 11.350 -2.180 1.00 0.00 C ATOM 1080 OE1 GLU A 71 -14.324 12.149 -2.711 1.00 0.00 O ATOM 1081 OE2 GLU A 71 -16.346 11.333 -2.435 1.00 0.00 O ATOM 0 H GLU A 71 -14.114 7.656 -2.090 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.627 8.598 -0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.499 10.778 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.917 10.056 -2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.175 9.439 -1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.699 10.758 -0.169 1.00 0.00 H new ATOM 1088 N VAL A 72 -12.515 8.680 1.538 1.00 0.00 N ATOM 1089 CA VAL A 72 -12.966 8.513 2.914 1.00 0.00 C ATOM 1090 C VAL A 72 -12.360 9.576 3.824 1.00 0.00 C ATOM 1091 O VAL A 72 -11.195 9.942 3.676 1.00 0.00 O ATOM 1092 CB VAL A 72 -12.602 7.119 3.459 1.00 0.00 C ATOM 1093 CG1 VAL A 72 -13.434 6.045 2.774 1.00 0.00 C ATOM 1094 CG2 VAL A 72 -11.116 6.849 3.280 1.00 0.00 C ATOM 0 H VAL A 72 -11.552 9.005 1.446 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.051 8.620 2.906 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.826 7.094 4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.164 5.067 3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.492 6.232 2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.243 6.066 1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.876 5.860 3.670 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.863 6.892 2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.542 7.601 3.821 1.00 0.00 H new ATOM 1104 N GLU A 73 -13.160 10.067 4.766 1.00 0.00 N ATOM 1105 CA GLU A 73 -12.701 11.089 5.699 1.00 0.00 C ATOM 1106 C GLU A 73 -11.724 10.500 6.713 1.00 0.00 C ATOM 1107 O GLU A 73 -10.846 11.197 7.221 1.00 0.00 O ATOM 1108 CB GLU A 73 -13.892 11.717 6.428 1.00 0.00 C ATOM 1109 CG GLU A 73 -14.610 10.756 7.361 1.00 0.00 C ATOM 1110 CD GLU A 73 -15.874 11.351 7.950 1.00 0.00 C ATOM 1111 OE1 GLU A 73 -15.769 12.102 8.942 1.00 0.00 O ATOM 1112 OE2 GLU A 73 -16.968 11.065 7.420 1.00 0.00 O ATOM 0 H GLU A 73 -14.127 9.774 4.903 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.185 11.861 5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.544 12.576 7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.602 12.093 5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.861 9.846 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.937 10.469 8.169 1.00 0.00 H new ATOM 1119 N ALA A 74 -11.883 9.213 7.001 1.00 0.00 N ATOM 1120 CA ALA A 74 -11.015 8.530 7.952 1.00 0.00 C ATOM 1121 C ALA A 74 -9.572 8.506 7.459 1.00 0.00 C ATOM 1122 O ALA A 74 -8.648 8.240 8.227 1.00 0.00 O ATOM 1123 CB ALA A 74 -11.514 7.114 8.200 1.00 0.00 C ATOM 0 H ALA A 74 -12.605 8.622 6.589 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.041 9.082 8.891 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.856 6.616 8.912 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.526 7.150 8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.518 6.560 7.261 1.00 0.00 H new ATOM 1129 N VAL A 75 -9.387 8.785 6.173 1.00 0.00 N ATOM 1130 CA VAL A 75 -8.056 8.795 5.577 1.00 0.00 C ATOM 1131 C VAL A 75 -8.016 9.683 4.338 1.00 0.00 C ATOM 1132 O VAL A 75 -8.593 9.350 3.303 1.00 0.00 O ATOM 1133 CB VAL A 75 -7.602 7.375 5.192 1.00 0.00 C ATOM 1134 CG1 VAL A 75 -6.446 7.433 4.205 1.00 0.00 C ATOM 1135 CG2 VAL A 75 -7.214 6.585 6.433 1.00 0.00 C ATOM 0 H VAL A 75 -10.142 9.007 5.524 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.375 9.194 6.329 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.435 6.864 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.139 6.420 3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.763 7.959 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.607 7.961 4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.896 5.584 6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.396 7.091 6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.072 6.513 7.102 1.00 0.00 H new ATOM 1145 N LYS A 76 -7.329 10.815 4.451 1.00 0.00 N ATOM 1146 CA LYS A 76 -7.211 11.752 3.340 1.00 0.00 C ATOM 1147 C LYS A 76 -5.867 11.594 2.635 1.00 0.00 C ATOM 1148 O LYS A 76 -4.833 12.026 3.145 1.00 0.00 O ATOM 1149 CB LYS A 76 -7.370 13.190 3.839 1.00 0.00 C ATOM 1150 CG LYS A 76 -8.808 13.571 4.146 1.00 0.00 C ATOM 1151 CD LYS A 76 -9.628 13.724 2.876 1.00 0.00 C ATOM 1152 CE LYS A 76 -11.119 13.739 3.174 1.00 0.00 C ATOM 1153 NZ LYS A 76 -11.921 14.099 1.972 1.00 0.00 N ATOM 0 H LYS A 76 -6.846 11.106 5.301 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.005 11.531 2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.768 13.323 4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.975 13.873 3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.259 12.809 4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.826 14.506 4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.348 14.648 2.370 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.400 12.905 2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.427 12.758 3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.323 14.452 3.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.932 14.098 2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.645 15.046 1.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.747 13.405 1.218 1.00 0.00 H new ATOM 1167 N VAL A 77 -5.889 10.973 1.460 1.00 0.00 N ATOM 1168 CA VAL A 77 -4.673 10.759 0.685 1.00 0.00 C ATOM 1169 C VAL A 77 -4.549 11.786 -0.435 1.00 0.00 C ATOM 1170 O VAL A 77 -5.456 11.941 -1.254 1.00 0.00 O ATOM 1171 CB VAL A 77 -4.636 9.345 0.076 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -3.229 8.999 -0.385 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -5.145 8.321 1.079 1.00 0.00 C ATOM 0 H VAL A 77 -6.736 10.609 1.024 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.835 10.871 1.373 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.292 9.325 -0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.222 7.996 -0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.906 9.717 -1.139 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.548 9.035 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.112 7.327 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.516 8.340 1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.172 8.561 1.355 1.00 0.00 H new ATOM 1183 N HIS A 78 -3.420 12.487 -0.466 1.00 0.00 N ATOM 1184 CA HIS A 78 -3.175 13.499 -1.487 1.00 0.00 C ATOM 1185 C HIS A 78 -2.038 13.076 -2.411 1.00 0.00 C ATOM 1186 O HIS A 78 -1.774 13.723 -3.424 1.00 0.00 O ATOM 1187 CB HIS A 78 -2.845 14.842 -0.835 1.00 0.00 C ATOM 1188 CG HIS A 78 -3.761 15.201 0.295 1.00 0.00 C ATOM 1189 ND1 HIS A 78 -3.306 15.616 1.529 1.00 0.00 N ATOM 1190 CD2 HIS A 78 -5.112 15.205 0.372 1.00 0.00 C ATOM 1191 CE1 HIS A 78 -4.339 15.859 2.317 1.00 0.00 C ATOM 1192 NE2 HIS A 78 -5.446 15.618 1.639 1.00 0.00 N ATOM 0 H HIS A 78 -2.660 12.373 0.205 1.00 0.00 H new ATOM 0 HA HIS A 78 -4.082 13.605 -2.082 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.820 14.815 -0.466 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.891 15.625 -1.592 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.799 14.934 -0.416 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.286 16.197 3.341 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -6.395 15.722 1.998 1.00 0.00 H new ATOM 1201 N SER A 79 -1.366 11.985 -2.054 1.00 0.00 N ATOM 1202 CA SER A 79 -0.254 11.478 -2.848 1.00 0.00 C ATOM 1203 C SER A 79 -0.366 9.968 -3.039 1.00 0.00 C ATOM 1204 O SER A 79 -1.141 9.300 -2.353 1.00 0.00 O ATOM 1205 CB SER A 79 1.078 11.821 -2.178 1.00 0.00 C ATOM 1206 OG SER A 79 1.231 11.116 -0.958 1.00 0.00 O ATOM 0 H SER A 79 -1.573 11.436 -1.220 1.00 0.00 H new ATOM 0 HA SER A 79 -0.293 11.955 -3.827 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.901 11.575 -2.850 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.129 12.894 -1.991 1.00 0.00 H new ATOM 0 HG SER A 79 2.091 11.351 -0.550 1.00 0.00 H new ATOM 1212 N PHE A 80 0.413 9.437 -3.975 1.00 0.00 N ATOM 1213 CA PHE A 80 0.401 8.006 -4.258 1.00 0.00 C ATOM 1214 C PHE A 80 1.668 7.588 -4.999 1.00 0.00 C ATOM 1215 O PHE A 80 2.280 8.372 -5.724 1.00 0.00 O ATOM 1216 CB PHE A 80 -0.832 7.638 -5.085 1.00 0.00 C ATOM 1217 CG PHE A 80 -2.072 8.380 -4.675 1.00 0.00 C ATOM 1218 CD1 PHE A 80 -2.866 7.911 -3.641 1.00 0.00 C ATOM 1219 CD2 PHE A 80 -2.444 9.547 -5.324 1.00 0.00 C ATOM 1220 CE1 PHE A 80 -4.008 8.592 -3.261 1.00 0.00 C ATOM 1221 CE2 PHE A 80 -3.584 10.232 -4.948 1.00 0.00 C ATOM 1222 CZ PHE A 80 -4.368 9.753 -3.916 1.00 0.00 C ATOM 0 H PHE A 80 1.061 9.975 -4.551 1.00 0.00 H new ATOM 0 HA PHE A 80 0.364 7.473 -3.308 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.628 7.840 -6.136 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.013 6.567 -4.996 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.590 7.003 -3.126 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.836 9.925 -6.133 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.618 8.216 -2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.862 11.141 -5.461 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.260 10.286 -3.622 1.00 0.00 H new ATOM 1232 N PRO A 81 2.071 6.323 -4.812 1.00 0.00 N ATOM 1233 CA PRO A 81 1.350 5.381 -3.951 1.00 0.00 C ATOM 1234 C PRO A 81 1.469 5.740 -2.473 1.00 0.00 C ATOM 1235 O PRO A 81 2.501 6.239 -2.025 1.00 0.00 O ATOM 1236 CB PRO A 81 2.039 4.043 -4.233 1.00 0.00 C ATOM 1237 CG PRO A 81 3.408 4.411 -4.690 1.00 0.00 C ATOM 1238 CD PRO A 81 3.262 5.714 -5.428 1.00 0.00 C ATOM 0 HA PRO A 81 0.280 5.377 -4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.074 3.420 -3.339 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.506 3.476 -4.996 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.087 4.516 -3.844 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.824 3.640 -5.338 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.143 6.344 -5.309 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.125 5.557 -6.498 1.00 0.00 H new ATOM 1246 N THR A 82 0.404 5.482 -1.719 1.00 0.00 N ATOM 1247 CA THR A 82 0.389 5.779 -0.292 1.00 0.00 C ATOM 1248 C THR A 82 0.088 4.528 0.526 1.00 0.00 C ATOM 1249 O THR A 82 -0.817 3.761 0.196 1.00 0.00 O ATOM 1250 CB THR A 82 -0.653 6.862 0.045 1.00 0.00 C ATOM 1251 OG1 THR A 82 -0.188 8.143 -0.394 1.00 0.00 O ATOM 1252 CG2 THR A 82 -0.927 6.902 1.541 1.00 0.00 C ATOM 0 H THR A 82 -0.458 5.068 -2.073 1.00 0.00 H new ATOM 0 HA THR A 82 1.382 6.148 -0.035 1.00 0.00 H new ATOM 0 HB THR A 82 -1.580 6.616 -0.472 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.446 8.282 -1.329 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.666 7.674 1.755 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.309 5.934 1.867 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.003 7.126 2.074 1.00 0.00 H new ATOM 1260 N LEU A 83 0.852 4.328 1.594 1.00 0.00 N ATOM 1261 CA LEU A 83 0.667 3.169 2.461 1.00 0.00 C ATOM 1262 C LEU A 83 0.372 3.603 3.894 1.00 0.00 C ATOM 1263 O LEU A 83 1.036 4.486 4.436 1.00 0.00 O ATOM 1264 CB LEU A 83 1.912 2.281 2.432 1.00 0.00 C ATOM 1265 CG LEU A 83 2.441 1.913 1.045 1.00 0.00 C ATOM 1266 CD1 LEU A 83 3.696 1.063 1.161 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.373 1.185 0.242 1.00 0.00 C ATOM 0 H LEU A 83 1.605 4.953 1.881 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.186 2.601 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.707 2.786 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.690 1.360 2.970 1.00 0.00 H new ATOM 0 HG LEU A 83 2.697 2.833 0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.058 0.811 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.465 1.620 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.466 0.147 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.767 0.931 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.084 0.273 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.501 1.829 0.128 1.00 0.00 H new ATOM 1279 N LYS A 84 -0.629 2.975 4.502 1.00 0.00 N ATOM 1280 CA LYS A 84 -1.011 3.292 5.873 1.00 0.00 C ATOM 1281 C LYS A 84 -1.237 2.020 6.683 1.00 0.00 C ATOM 1282 O LYS A 84 -2.015 1.151 6.289 1.00 0.00 O ATOM 1283 CB LYS A 84 -2.279 4.149 5.885 1.00 0.00 C ATOM 1284 CG LYS A 84 -2.146 5.444 5.103 1.00 0.00 C ATOM 1285 CD LYS A 84 -3.156 6.481 5.565 1.00 0.00 C ATOM 1286 CE LYS A 84 -2.612 7.893 5.417 1.00 0.00 C ATOM 1287 NZ LYS A 84 -1.568 8.195 6.435 1.00 0.00 N ATOM 0 H LYS A 84 -1.190 2.243 4.067 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.196 3.853 6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.104 3.568 5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.539 4.383 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.137 5.839 5.221 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.288 5.245 4.041 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.073 6.381 4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.416 6.298 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.193 8.018 4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.429 8.609 5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.789 9.098 6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.545 7.435 7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.640 8.263 5.971 1.00 0.00 H new ATOM 1301 N PHE A 85 -0.552 1.916 7.817 1.00 0.00 N ATOM 1302 CA PHE A 85 -0.678 0.750 8.683 1.00 0.00 C ATOM 1303 C PHE A 85 -1.739 0.981 9.755 1.00 0.00 C ATOM 1304 O PHE A 85 -1.730 2.001 10.445 1.00 0.00 O ATOM 1305 CB PHE A 85 0.666 0.429 9.341 1.00 0.00 C ATOM 1306 CG PHE A 85 0.587 -0.673 10.359 1.00 0.00 C ATOM 1307 CD1 PHE A 85 0.624 -2.001 9.966 1.00 0.00 C ATOM 1308 CD2 PHE A 85 0.477 -0.380 11.709 1.00 0.00 C ATOM 1309 CE1 PHE A 85 0.550 -3.016 10.900 1.00 0.00 C ATOM 1310 CE2 PHE A 85 0.403 -1.392 12.648 1.00 0.00 C ATOM 1311 CZ PHE A 85 0.441 -2.711 12.243 1.00 0.00 C ATOM 0 H PHE A 85 0.096 2.626 8.158 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.985 -0.096 8.068 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.382 0.148 8.568 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.051 1.329 9.821 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.712 -2.245 8.918 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.449 0.650 12.031 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.577 -4.047 10.581 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.316 -1.151 13.697 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.386 -3.503 12.975 1.00 0.00 H new ATOM 1321 N PHE A 86 -2.654 0.026 9.888 1.00 0.00 N ATOM 1322 CA PHE A 86 -3.724 0.125 10.874 1.00 0.00 C ATOM 1323 C PHE A 86 -3.548 -0.918 11.974 1.00 0.00 C ATOM 1324 O PHE A 86 -3.676 -2.122 11.750 1.00 0.00 O ATOM 1325 CB PHE A 86 -5.086 -0.054 10.200 1.00 0.00 C ATOM 1326 CG PHE A 86 -5.319 0.896 9.060 1.00 0.00 C ATOM 1327 CD1 PHE A 86 -4.573 2.057 8.945 1.00 0.00 C ATOM 1328 CD2 PHE A 86 -6.285 0.627 8.104 1.00 0.00 C ATOM 1329 CE1 PHE A 86 -4.785 2.933 7.897 1.00 0.00 C ATOM 1330 CE2 PHE A 86 -6.502 1.498 7.054 1.00 0.00 C ATOM 1331 CZ PHE A 86 -5.752 2.654 6.951 1.00 0.00 C ATOM 0 H PHE A 86 -2.676 -0.825 9.326 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.677 1.116 11.326 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.169 -1.077 9.833 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.871 0.083 10.943 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.817 2.281 9.683 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.875 -0.274 8.181 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.195 3.834 7.818 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.257 1.276 6.314 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.922 3.338 6.133 1.00 0.00 H new ATOM 1341 N PRO A 87 -3.245 -0.447 13.193 1.00 0.00 N ATOM 1342 CA PRO A 87 -3.045 -1.321 14.353 1.00 0.00 C ATOM 1343 C PRO A 87 -4.342 -1.973 14.819 1.00 0.00 C ATOM 1344 O PRO A 87 -5.431 -1.577 14.404 1.00 0.00 O ATOM 1345 CB PRO A 87 -2.508 -0.370 15.425 1.00 0.00 C ATOM 1346 CG PRO A 87 -3.027 0.971 15.036 1.00 0.00 C ATOM 1347 CD PRO A 87 -3.077 0.976 13.533 1.00 0.00 C ATOM 0 HA PRO A 87 -2.376 -2.151 14.127 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.855 -0.656 16.418 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.418 -0.380 15.453 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.016 1.145 15.460 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.377 1.764 15.407 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.905 1.579 13.160 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.164 1.387 13.102 1.00 0.00 H new ATOM 1355 N ALA A 88 -4.218 -2.973 15.685 1.00 0.00 N ATOM 1356 CA ALA A 88 -5.382 -3.678 16.209 1.00 0.00 C ATOM 1357 C ALA A 88 -6.061 -2.871 17.311 1.00 0.00 C ATOM 1358 O ALA A 88 -6.365 -3.397 18.381 1.00 0.00 O ATOM 1359 CB ALA A 88 -4.978 -5.049 16.729 1.00 0.00 C ATOM 0 H ALA A 88 -3.324 -3.313 16.039 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.096 -3.806 15.395 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.857 -5.564 17.117 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.544 -5.633 15.917 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.243 -4.934 17.526 1.00 0.00 H new ATOM 1422 N THR A 93 -7.433 4.569 14.114 1.00 0.00 N ATOM 1423 CA THR A 93 -6.012 4.881 14.193 1.00 0.00 C ATOM 1424 C THR A 93 -5.315 4.611 12.864 1.00 0.00 C ATOM 1425 O THR A 93 -5.637 3.648 12.168 1.00 0.00 O ATOM 1426 CB THR A 93 -5.318 4.065 15.299 1.00 0.00 C ATOM 1427 OG1 THR A 93 -5.980 4.274 16.551 1.00 0.00 O ATOM 1428 CG2 THR A 93 -3.853 4.457 15.423 1.00 0.00 C ATOM 0 HA THR A 93 -5.934 5.942 14.432 1.00 0.00 H new ATOM 0 HB THR A 93 -5.374 3.010 15.030 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.921 4.495 16.391 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.384 3.867 16.211 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.345 4.269 14.477 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.779 5.516 15.670 1.00 0.00 H new ATOM 1436 N VAL A 94 -4.359 5.466 12.517 1.00 0.00 N ATOM 1437 CA VAL A 94 -3.615 5.318 11.272 1.00 0.00 C ATOM 1438 C VAL A 94 -2.134 5.615 11.478 1.00 0.00 C ATOM 1439 O VAL A 94 -1.772 6.592 12.133 1.00 0.00 O ATOM 1440 CB VAL A 94 -4.166 6.248 10.175 1.00 0.00 C ATOM 1441 CG1 VAL A 94 -3.166 6.382 9.037 1.00 0.00 C ATOM 1442 CG2 VAL A 94 -5.503 5.733 9.663 1.00 0.00 C ATOM 0 H VAL A 94 -4.081 6.269 13.081 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.734 4.282 10.954 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.324 7.237 10.606 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.573 7.043 8.271 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.234 6.799 9.419 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.974 5.400 8.604 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.878 6.402 8.888 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.373 4.734 9.248 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.217 5.694 10.486 1.00 0.00 H new ATOM 1452 N ILE A 95 -1.282 4.765 10.914 1.00 0.00 N ATOM 1453 CA ILE A 95 0.160 4.938 11.034 1.00 0.00 C ATOM 1454 C ILE A 95 0.799 5.195 9.673 1.00 0.00 C ATOM 1455 O ILE A 95 0.474 4.532 8.688 1.00 0.00 O ATOM 1456 CB ILE A 95 0.823 3.704 11.674 1.00 0.00 C ATOM 1457 CG1 ILE A 95 0.415 3.583 13.144 1.00 0.00 C ATOM 1458 CG2 ILE A 95 2.337 3.789 11.544 1.00 0.00 C ATOM 1459 CD1 ILE A 95 1.084 2.433 13.864 1.00 0.00 C ATOM 0 H ILE A 95 -1.566 3.950 10.370 1.00 0.00 H new ATOM 0 HA ILE A 95 0.321 5.803 11.677 1.00 0.00 H new ATOM 0 HB ILE A 95 0.482 2.813 11.147 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.658 4.513 13.658 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.666 3.459 13.204 1.00 0.00 H new ATOM 0 HG21 ILE A 95 2.791 2.910 12.001 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.610 3.832 10.490 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.696 4.686 12.048 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.748 2.408 14.901 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.821 1.495 13.375 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.165 2.566 13.836 1.00 0.00 H new ATOM 1471 N ASP A 96 1.709 6.162 9.627 1.00 0.00 N ATOM 1472 CA ASP A 96 2.396 6.506 8.387 1.00 0.00 C ATOM 1473 C ASP A 96 3.516 5.514 8.094 1.00 0.00 C ATOM 1474 O ASP A 96 4.448 5.363 8.884 1.00 0.00 O ATOM 1475 CB ASP A 96 2.962 7.924 8.470 1.00 0.00 C ATOM 1476 CG ASP A 96 3.808 8.139 9.710 1.00 0.00 C ATOM 1477 OD1 ASP A 96 3.227 8.290 10.805 1.00 0.00 O ATOM 1478 OD2 ASP A 96 5.050 8.154 9.585 1.00 0.00 O ATOM 0 H ASP A 96 1.988 6.721 10.433 1.00 0.00 H new ATOM 0 HA ASP A 96 1.672 6.459 7.574 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.564 8.124 7.584 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.141 8.641 8.465 1.00 0.00 H new ATOM 1483 N TYR A 97 3.419 4.839 6.953 1.00 0.00 N ATOM 1484 CA TYR A 97 4.422 3.859 6.557 1.00 0.00 C ATOM 1485 C TYR A 97 5.636 4.542 5.934 1.00 0.00 C ATOM 1486 O TYR A 97 5.576 5.032 4.807 1.00 0.00 O ATOM 1487 CB TYR A 97 3.824 2.857 5.568 1.00 0.00 C ATOM 1488 CG TYR A 97 4.829 1.864 5.029 1.00 0.00 C ATOM 1489 CD1 TYR A 97 5.130 0.701 5.727 1.00 0.00 C ATOM 1490 CD2 TYR A 97 5.477 2.089 3.821 1.00 0.00 C ATOM 1491 CE1 TYR A 97 6.048 -0.208 5.238 1.00 0.00 C ATOM 1492 CE2 TYR A 97 6.396 1.185 3.323 1.00 0.00 C ATOM 1493 CZ TYR A 97 6.678 0.038 4.036 1.00 0.00 C ATOM 1494 OH TYR A 97 7.593 -0.865 3.545 1.00 0.00 O ATOM 0 H TYR A 97 2.655 4.953 6.287 1.00 0.00 H new ATOM 0 HA TYR A 97 4.746 3.328 7.452 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.016 2.314 6.058 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.382 3.402 4.734 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.638 0.504 6.668 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.259 2.986 3.261 1.00 0.00 H new ATOM 0 HE1 TYR A 97 6.271 -1.107 5.794 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.890 1.375 2.382 1.00 0.00 H new ATOM 0 HH TYR A 97 7.178 -1.398 2.835 1.00 0.00 H new ATOM 1504 N ASN A 98 6.737 4.570 6.677 1.00 0.00 N ATOM 1505 CA ASN A 98 7.966 5.193 6.200 1.00 0.00 C ATOM 1506 C ASN A 98 9.068 4.153 6.020 1.00 0.00 C ATOM 1507 O ASN A 98 10.214 4.374 6.411 1.00 0.00 O ATOM 1508 CB ASN A 98 8.426 6.277 7.176 1.00 0.00 C ATOM 1509 CG ASN A 98 7.774 7.618 6.901 1.00 0.00 C ATOM 1510 OD1 ASN A 98 8.441 8.576 6.509 1.00 0.00 O ATOM 1511 ND2 ASN A 98 6.464 7.692 7.105 1.00 0.00 N ATOM 0 H ASN A 98 6.803 4.168 7.612 1.00 0.00 H new ATOM 0 HA ASN A 98 7.760 5.650 5.232 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.195 5.966 8.195 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.509 6.383 7.113 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.970 8.568 6.936 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.951 6.872 7.430 1.00 0.00 H new ATOM 1518 N GLY A 99 8.714 3.019 5.423 1.00 0.00 N ATOM 1519 CA GLY A 99 9.683 1.963 5.201 1.00 0.00 C ATOM 1520 C GLY A 99 10.428 2.125 3.890 1.00 0.00 C ATOM 1521 O GLY A 99 10.745 3.243 3.485 1.00 0.00 O ATOM 0 H GLY A 99 7.772 2.813 5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 99 10.399 1.952 6.023 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.174 0.999 5.209 1.00 0.00 H new ATOM 1525 N GLU A 100 10.707 1.007 3.228 1.00 0.00 N ATOM 1526 CA GLU A 100 11.421 1.032 1.957 1.00 0.00 C ATOM 1527 C GLU A 100 10.473 0.753 0.794 1.00 0.00 C ATOM 1528 O GLU A 100 10.856 0.854 -0.371 1.00 0.00 O ATOM 1529 CB GLU A 100 12.554 0.003 1.963 1.00 0.00 C ATOM 1530 CG GLU A 100 12.200 -1.288 2.683 1.00 0.00 C ATOM 1531 CD GLU A 100 12.556 -1.250 4.156 1.00 0.00 C ATOM 1532 OE1 GLU A 100 13.703 -1.609 4.498 1.00 0.00 O ATOM 1533 OE2 GLU A 100 11.690 -0.863 4.967 1.00 0.00 O ATOM 0 H GLU A 100 10.450 0.074 3.550 1.00 0.00 H new ATOM 0 HA GLU A 100 11.844 2.028 1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.829 -0.228 0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.432 0.444 2.436 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.132 -1.478 2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.721 -2.119 2.208 1.00 0.00 H new ATOM 1540 N ARG A 101 9.234 0.401 1.121 1.00 0.00 N ATOM 1541 CA ARG A 101 8.230 0.106 0.105 1.00 0.00 C ATOM 1542 C ARG A 101 8.631 -1.116 -0.716 1.00 0.00 C ATOM 1543 O ARG A 101 8.446 -1.149 -1.933 1.00 0.00 O ATOM 1544 CB ARG A 101 8.036 1.311 -0.816 1.00 0.00 C ATOM 1545 CG ARG A 101 6.953 2.269 -0.347 1.00 0.00 C ATOM 1546 CD ARG A 101 6.563 3.249 -1.442 1.00 0.00 C ATOM 1547 NE ARG A 101 7.381 4.458 -1.412 1.00 0.00 N ATOM 1548 CZ ARG A 101 7.165 5.471 -0.580 1.00 0.00 C ATOM 1549 NH1 ARG A 101 6.163 5.419 0.287 1.00 0.00 N ATOM 1550 NH2 ARG A 101 7.954 6.537 -0.613 1.00 0.00 N ATOM 0 H ARG A 101 8.901 0.313 2.081 1.00 0.00 H new ATOM 0 HA ARG A 101 7.289 -0.110 0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.979 1.853 -0.895 1.00 0.00 H new ATOM 0 HB3 ARG A 101 7.787 0.957 -1.816 1.00 0.00 H new ATOM 0 HG2 ARG A 101 6.075 1.703 -0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 101 7.305 2.819 0.526 1.00 0.00 H new ATOM 0 HD2 ARG A 101 6.666 2.766 -2.414 1.00 0.00 H new ATOM 0 HD3 ARG A 101 5.513 3.519 -1.329 1.00 0.00 H new ATOM 0 HE ARG A 101 8.161 4.529 -2.066 1.00 0.00 H new ATOM 0 HH11 ARG A 101 5.556 4.600 0.316 1.00 0.00 H new ATOM 0 HH12 ARG A 101 5.999 6.198 0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 101 8.727 6.579 -1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 101 7.788 7.315 0.026 1.00 0.00 H new ATOM 1564 N THR A 102 9.183 -2.121 -0.042 1.00 0.00 N ATOM 1565 CA THR A 102 9.611 -3.344 -0.709 1.00 0.00 C ATOM 1566 C THR A 102 8.936 -4.568 -0.100 1.00 0.00 C ATOM 1567 O THR A 102 8.649 -4.600 1.097 1.00 0.00 O ATOM 1568 CB THR A 102 11.139 -3.522 -0.628 1.00 0.00 C ATOM 1569 OG1 THR A 102 11.533 -3.765 0.728 1.00 0.00 O ATOM 1570 CG2 THR A 102 11.856 -2.289 -1.156 1.00 0.00 C ATOM 0 H THR A 102 9.344 -2.111 0.965 1.00 0.00 H new ATOM 0 HA THR A 102 9.317 -3.253 -1.755 1.00 0.00 H new ATOM 0 HB THR A 102 11.416 -4.376 -1.245 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.234 -4.449 0.747 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.934 -2.438 -1.089 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.577 -2.123 -2.197 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.572 -1.421 -0.562 1.00 0.00 H new ATOM 1578 N LEU A 103 8.684 -5.573 -0.931 1.00 0.00 N ATOM 1579 CA LEU A 103 8.042 -6.801 -0.475 1.00 0.00 C ATOM 1580 C LEU A 103 8.625 -7.256 0.859 1.00 0.00 C ATOM 1581 O LEU A 103 7.889 -7.526 1.809 1.00 0.00 O ATOM 1582 CB LEU A 103 8.208 -7.905 -1.520 1.00 0.00 C ATOM 1583 CG LEU A 103 7.706 -9.292 -1.116 1.00 0.00 C ATOM 1584 CD1 LEU A 103 6.218 -9.251 -0.804 1.00 0.00 C ATOM 1585 CD2 LEU A 103 7.994 -10.305 -2.215 1.00 0.00 C ATOM 0 H LEU A 103 8.914 -5.562 -1.925 1.00 0.00 H new ATOM 0 HA LEU A 103 6.980 -6.597 -0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.685 -7.601 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.265 -7.983 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 103 8.237 -9.601 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.879 -10.247 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.037 -8.557 0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.670 -8.920 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.630 -11.286 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.490 -10.000 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.069 -10.355 -2.391 1.00 0.00 H new ATOM 1597 N ASP A 104 9.949 -7.337 0.924 1.00 0.00 N ATOM 1598 CA ASP A 104 10.631 -7.756 2.143 1.00 0.00 C ATOM 1599 C ASP A 104 10.610 -6.645 3.187 1.00 0.00 C ATOM 1600 O ASP A 104 10.515 -6.906 4.385 1.00 0.00 O ATOM 1601 CB ASP A 104 12.075 -8.156 1.833 1.00 0.00 C ATOM 1602 CG ASP A 104 12.595 -9.222 2.777 1.00 0.00 C ATOM 1603 OD1 ASP A 104 12.464 -9.042 4.005 1.00 0.00 O ATOM 1604 OD2 ASP A 104 13.135 -10.236 2.287 1.00 0.00 O ATOM 0 H ASP A 104 10.572 -7.118 0.147 1.00 0.00 H new ATOM 0 HA ASP A 104 10.102 -8.619 2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.136 -8.521 0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.714 -7.276 1.896 1.00 0.00 H new ATOM 1609 N GLY A 105 10.701 -5.402 2.723 1.00 0.00 N ATOM 1610 CA GLY A 105 10.692 -4.269 3.630 1.00 0.00 C ATOM 1611 C GLY A 105 9.390 -4.150 4.397 1.00 0.00 C ATOM 1612 O GLY A 105 9.374 -3.699 5.542 1.00 0.00 O ATOM 0 H GLY A 105 10.781 -5.160 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.518 -4.365 4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.862 -3.353 3.064 1.00 0.00 H new ATOM 1616 N PHE A 106 8.293 -4.555 3.764 1.00 0.00 N ATOM 1617 CA PHE A 106 6.979 -4.489 4.393 1.00 0.00 C ATOM 1618 C PHE A 106 6.890 -5.458 5.569 1.00 0.00 C ATOM 1619 O PHE A 106 6.381 -5.113 6.635 1.00 0.00 O ATOM 1620 CB PHE A 106 5.885 -4.807 3.372 1.00 0.00 C ATOM 1621 CG PHE A 106 5.755 -3.771 2.292 1.00 0.00 C ATOM 1622 CD1 PHE A 106 5.646 -2.427 2.611 1.00 0.00 C ATOM 1623 CD2 PHE A 106 5.741 -4.142 0.957 1.00 0.00 C ATOM 1624 CE1 PHE A 106 5.526 -1.473 1.619 1.00 0.00 C ATOM 1625 CE2 PHE A 106 5.621 -3.192 -0.040 1.00 0.00 C ATOM 1626 CZ PHE A 106 5.514 -1.856 0.291 1.00 0.00 C ATOM 0 H PHE A 106 8.288 -4.932 2.816 1.00 0.00 H new ATOM 0 HA PHE A 106 6.833 -3.476 4.768 1.00 0.00 H new ATOM 0 HB2 PHE A 106 6.096 -5.773 2.914 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.931 -4.902 3.891 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.655 -2.122 3.647 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.825 -5.186 0.692 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.442 -0.429 1.881 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.611 -3.495 -1.077 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.421 -1.112 -0.486 1.00 0.00 H new ATOM 1636 N LYS A 107 7.389 -6.672 5.366 1.00 0.00 N ATOM 1637 CA LYS A 107 7.368 -7.693 6.407 1.00 0.00 C ATOM 1638 C LYS A 107 8.050 -7.190 7.675 1.00 0.00 C ATOM 1639 O LYS A 107 7.611 -7.485 8.787 1.00 0.00 O ATOM 1640 CB LYS A 107 8.058 -8.967 5.915 1.00 0.00 C ATOM 1641 CG LYS A 107 7.584 -9.426 4.547 1.00 0.00 C ATOM 1642 CD LYS A 107 7.862 -10.904 4.328 1.00 0.00 C ATOM 1643 CE LYS A 107 8.086 -11.217 2.856 1.00 0.00 C ATOM 1644 NZ LYS A 107 6.817 -11.576 2.165 1.00 0.00 N ATOM 0 H LYS A 107 7.814 -6.974 4.489 1.00 0.00 H new ATOM 0 HA LYS A 107 6.327 -7.918 6.640 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.134 -8.797 5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.886 -9.765 6.637 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.515 -9.237 4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.083 -8.842 3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.741 -11.199 4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.024 -11.492 4.703 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.535 -10.353 2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.795 -12.040 2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.874 -11.294 1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.667 -12.603 2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.023 -11.082 2.619 1.00 0.00 H new ATOM 1658 N LYS A 108 9.124 -6.428 7.502 1.00 0.00 N ATOM 1659 CA LYS A 108 9.866 -5.881 8.632 1.00 0.00 C ATOM 1660 C LYS A 108 8.986 -4.952 9.462 1.00 0.00 C ATOM 1661 O LYS A 108 8.899 -5.089 10.682 1.00 0.00 O ATOM 1662 CB LYS A 108 11.102 -5.125 8.140 1.00 0.00 C ATOM 1663 CG LYS A 108 11.948 -5.917 7.157 1.00 0.00 C ATOM 1664 CD LYS A 108 13.387 -5.430 7.142 1.00 0.00 C ATOM 1665 CE LYS A 108 14.159 -5.937 8.351 1.00 0.00 C ATOM 1666 NZ LYS A 108 15.629 -5.932 8.111 1.00 0.00 N ATOM 0 H LYS A 108 9.501 -6.175 6.589 1.00 0.00 H new ATOM 0 HA LYS A 108 10.183 -6.712 9.262 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.785 -4.196 7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.716 -4.852 8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.923 -6.974 7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.523 -5.830 6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.877 -5.767 6.228 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.403 -4.340 7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.930 -5.314 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.834 -6.949 8.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.120 -6.284 8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.851 -6.546 7.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.944 -4.962 7.906 1.00 0.00 H new ATOM 1680 N PHE A 109 8.333 -4.008 8.792 1.00 0.00 N ATOM 1681 CA PHE A 109 7.459 -3.056 9.467 1.00 0.00 C ATOM 1682 C PHE A 109 6.313 -3.776 10.172 1.00 0.00 C ATOM 1683 O PHE A 109 5.953 -3.438 11.301 1.00 0.00 O ATOM 1684 CB PHE A 109 6.901 -2.043 8.465 1.00 0.00 C ATOM 1685 CG PHE A 109 6.098 -0.947 9.105 1.00 0.00 C ATOM 1686 CD1 PHE A 109 6.715 0.204 9.565 1.00 0.00 C ATOM 1687 CD2 PHE A 109 4.725 -1.069 9.246 1.00 0.00 C ATOM 1688 CE1 PHE A 109 5.978 1.214 10.155 1.00 0.00 C ATOM 1689 CE2 PHE A 109 3.982 -0.062 9.835 1.00 0.00 C ATOM 1690 CZ PHE A 109 4.610 1.081 10.289 1.00 0.00 C ATOM 0 H PHE A 109 8.393 -3.882 7.782 1.00 0.00 H new ATOM 0 HA PHE A 109 8.049 -2.527 10.216 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.728 -1.600 7.910 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.275 -2.566 7.742 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.784 0.314 9.462 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.229 -1.961 8.892 1.00 0.00 H new ATOM 0 HE1 PHE A 109 6.472 2.106 10.511 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.912 -0.169 9.940 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.032 1.870 10.748 1.00 0.00 H new ATOM 1700 N LEU A 110 5.743 -4.769 9.499 1.00 0.00 N ATOM 1701 CA LEU A 110 4.637 -5.537 10.059 1.00 0.00 C ATOM 1702 C LEU A 110 5.107 -6.392 11.232 1.00 0.00 C ATOM 1703 O LEU A 110 4.677 -6.193 12.368 1.00 0.00 O ATOM 1704 CB LEU A 110 4.012 -6.427 8.983 1.00 0.00 C ATOM 1705 CG LEU A 110 3.370 -5.700 7.801 1.00 0.00 C ATOM 1706 CD1 LEU A 110 3.110 -6.668 6.657 1.00 0.00 C ATOM 1707 CD2 LEU A 110 2.079 -5.019 8.230 1.00 0.00 C ATOM 0 H LEU A 110 6.029 -5.061 8.564 1.00 0.00 H new ATOM 0 HA LEU A 110 3.887 -4.835 10.422 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.784 -7.094 8.598 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.254 -7.054 9.453 1.00 0.00 H new ATOM 0 HG LEU A 110 4.062 -4.934 7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.653 -6.133 5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.053 -7.108 6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.438 -7.457 6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.636 -4.507 7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.381 -5.767 8.606 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.293 -4.295 9.016 1.00 0.00 H new ATOM 1719 N GLU A 111 5.993 -7.341 10.949 1.00 0.00 N ATOM 1720 CA GLU A 111 6.521 -8.225 11.981 1.00 0.00 C ATOM 1721 C GLU A 111 6.822 -7.448 13.260 1.00 0.00 C ATOM 1722 O GLU A 111 6.578 -7.932 14.365 1.00 0.00 O ATOM 1723 CB GLU A 111 7.789 -8.924 11.486 1.00 0.00 C ATOM 1724 CG GLU A 111 7.521 -10.025 10.474 1.00 0.00 C ATOM 1725 CD GLU A 111 8.555 -11.133 10.530 1.00 0.00 C ATOM 1726 OE1 GLU A 111 8.720 -11.737 11.611 1.00 0.00 O ATOM 1727 OE2 GLU A 111 9.198 -11.396 9.493 1.00 0.00 O ATOM 0 H GLU A 111 6.360 -7.517 10.014 1.00 0.00 H new ATOM 0 HA GLU A 111 5.763 -8.977 12.202 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.451 -8.183 11.038 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.317 -9.348 12.340 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.532 -10.446 10.655 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.507 -9.597 9.472 1.00 0.00 H new ATOM 1734 N SER A 112 7.355 -6.241 13.100 1.00 0.00 N ATOM 1735 CA SER A 112 7.694 -5.398 14.241 1.00 0.00 C ATOM 1736 C SER A 112 6.455 -5.089 15.075 1.00 0.00 C ATOM 1737 O SER A 112 6.491 -5.138 16.304 1.00 0.00 O ATOM 1738 CB SER A 112 8.340 -4.095 13.765 1.00 0.00 C ATOM 1739 OG SER A 112 9.626 -4.334 13.220 1.00 0.00 O ATOM 0 H SER A 112 7.561 -5.825 12.192 1.00 0.00 H new ATOM 0 HA SER A 112 8.404 -5.941 14.864 1.00 0.00 H new ATOM 0 HB2 SER A 112 7.705 -3.623 13.015 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.419 -3.398 14.599 1.00 0.00 H new ATOM 0 HG SER A 112 9.540 -4.592 12.278 1.00 0.00 H new ATOM 1745 N GLY A 113 5.357 -4.769 14.397 1.00 0.00 N ATOM 1746 CA GLY A 113 4.121 -4.456 15.090 1.00 0.00 C ATOM 1747 C GLY A 113 3.582 -3.087 14.726 1.00 0.00 C ATOM 1748 O GLY A 113 2.661 -2.584 15.367 1.00 0.00 O ATOM 0 H GLY A 113 5.302 -4.721 13.380 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.373 -5.212 14.852 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.290 -4.502 16.166 1.00 0.00 H new ATOM 1752 N GLY A 114 4.159 -2.482 13.692 1.00 0.00 N ATOM 1753 CA GLY A 114 3.719 -1.168 13.262 1.00 0.00 C ATOM 1754 C GLY A 114 4.449 -0.049 13.977 1.00 0.00 C ATOM 1755 O GLY A 114 3.914 1.048 14.136 1.00 0.00 O ATOM 0 H GLY A 114 4.923 -2.879 13.145 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.874 -1.070 12.188 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.648 -1.071 13.440 1.00 0.00 H new