USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 812 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 70 SER OG : rot -41:sc= -1.45! USER MOD Set 1.2: A 92 HIS :FLIP no HD1:sc= -6.86! C(o=-9.1!,f=-8.3!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 146:sc= -1.46 (180deg=-1.72) USER MOD Single : A 31 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.19) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.0917 F(o=-1.1,f=-0.092) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 74:sc= 0.212 USER MOD Single : A 53 TYR OH : rot 165:sc= 0 USER MOD Single : A 54 TYR OH : rot 165:sc= -1.17 USER MOD Single : A 55 LYS NZ :NH3+ -160:sc= -0.0494 (180deg=-0.75) USER MOD Single : A 58 LYS NZ :NH3+ 166:sc=-0.00132 (180deg=-0.142) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 88:sc= 0.116 USER MOD Single : A 77 GLN : amide:sc= -4.81! C(o=-4.8!,f=-4.5!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.01) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -174:sc=-0.00472 (180deg=-0.0705) USER MOD Single : A 86 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-3.5!) USER MOD Single : A 87 THR OG1 : rot -160:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -146:sc= 0.0139 (180deg=-0.136) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.792 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -140:sc= -0.685 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.413 K(o=-0.41,f=-3.3!) USER MOD Single : A 113 GLN : amide:sc= -0.0323 X(o=-0.032,f=0) USER MOD Single : A 115 MET CE :methyl 180:sc= -0.232 (180deg=-0.232) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -11.891 4.712 -5.695 1.00 0.00 N ATOM 177 CA LYS A 15 -12.584 3.430 -5.643 1.00 0.00 C ATOM 178 C LYS A 15 -11.916 2.414 -6.564 1.00 0.00 C ATOM 179 O LYS A 15 -11.058 2.765 -7.374 1.00 0.00 O ATOM 180 CB LYS A 15 -14.052 3.604 -6.038 1.00 0.00 C ATOM 181 CG LYS A 15 -14.944 2.463 -5.580 1.00 0.00 C ATOM 182 CD LYS A 15 -16.412 2.855 -5.613 1.00 0.00 C ATOM 183 CE LYS A 15 -17.314 1.633 -5.698 1.00 0.00 C ATOM 184 NZ LYS A 15 -18.735 2.008 -5.933 1.00 0.00 N ATOM 0 HA LYS A 15 -12.531 3.058 -4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.425 4.537 -5.616 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.120 3.694 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.784 1.595 -6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.668 2.168 -4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.657 3.428 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.597 3.505 -6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.972 0.984 -6.504 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.238 1.060 -4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.317 1.148 -5.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.070 2.606 -5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.812 2.532 -6.828 1.00 0.00 H new ATOM 198 N ARG A 16 -12.317 1.153 -6.436 1.00 0.00 N ATOM 199 CA ARG A 16 -11.758 0.086 -7.257 1.00 0.00 C ATOM 200 C ARG A 16 -12.856 -0.634 -8.035 1.00 0.00 C ATOM 201 O ARG A 16 -13.997 -0.717 -7.584 1.00 0.00 O ATOM 202 CB ARG A 16 -10.998 -0.913 -6.383 1.00 0.00 C ATOM 203 CG ARG A 16 -10.575 -2.172 -7.124 1.00 0.00 C ATOM 204 CD ARG A 16 -10.132 -3.262 -6.161 1.00 0.00 C ATOM 205 NE ARG A 16 -10.354 -4.598 -6.708 1.00 0.00 N ATOM 206 CZ ARG A 16 -11.549 -5.174 -6.777 1.00 0.00 C ATOM 207 NH1 ARG A 16 -12.624 -4.535 -6.336 1.00 0.00 N ATOM 208 NH2 ARG A 16 -11.671 -6.393 -7.288 1.00 0.00 N ATOM 0 H ARG A 16 -13.027 0.846 -5.771 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.066 0.534 -7.970 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.112 -0.426 -5.976 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.625 -1.193 -5.537 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.405 -2.535 -7.730 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.760 -1.936 -7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.074 -3.135 -5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.676 -3.160 -5.222 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.548 -5.117 -7.056 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.535 -3.598 -5.942 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.540 -4.980 -6.391 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.847 -6.888 -7.628 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.589 -6.834 -7.341 1.00 0.00 H new ATOM 222 N ASN A 17 -12.501 -1.152 -9.206 1.00 0.00 N ATOM 223 CA ASN A 17 -13.456 -1.864 -10.048 1.00 0.00 C ATOM 224 C ASN A 17 -13.256 -3.372 -9.941 1.00 0.00 C ATOM 225 O ASN A 17 -12.132 -3.873 -9.897 1.00 0.00 O ATOM 226 CB ASN A 17 -13.313 -1.421 -11.505 1.00 0.00 C ATOM 227 CG ASN A 17 -13.926 -0.057 -11.758 1.00 0.00 C ATOM 228 OD1 ASN A 17 -15.132 0.064 -11.971 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.094 0.979 -11.735 1.00 0.00 N ATOM 0 H ASN A 17 -11.559 -1.092 -9.594 1.00 0.00 H new ATOM 0 HA ASN A 17 -14.460 -1.623 -9.699 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.257 -1.397 -11.772 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -13.789 -2.156 -12.154 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.448 1.921 -11.898 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.101 0.832 -11.554 1.00 0.00 H new ATOM 236 N PRO A 18 -14.372 -4.116 -9.899 1.00 0.00 N ATOM 237 CA PRO A 18 -14.346 -5.578 -9.798 1.00 0.00 C ATOM 238 C PRO A 18 -13.837 -6.238 -11.075 1.00 0.00 C ATOM 239 O PRO A 18 -13.073 -7.200 -11.026 1.00 0.00 O ATOM 240 CB PRO A 18 -15.812 -5.943 -9.555 1.00 0.00 C ATOM 241 CG PRO A 18 -16.586 -4.816 -10.147 1.00 0.00 C ATOM 242 CD PRO A 18 -15.745 -3.586 -9.947 1.00 0.00 C ATOM 0 HA PRO A 18 -13.672 -5.920 -9.013 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.068 -6.891 -10.029 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.022 -6.052 -8.491 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.779 -4.989 -11.206 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.555 -4.710 -9.660 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.873 -2.875 -10.763 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.007 -3.065 -9.026 1.00 0.00 H new ATOM 250 N ASN A 19 -14.267 -5.713 -12.219 1.00 0.00 N ATOM 251 CA ASN A 19 -13.854 -6.252 -13.509 1.00 0.00 C ATOM 252 C ASN A 19 -12.338 -6.187 -13.667 1.00 0.00 C ATOM 253 O ASN A 19 -11.715 -7.124 -14.165 1.00 0.00 O ATOM 254 CB ASN A 19 -14.530 -5.483 -14.646 1.00 0.00 C ATOM 255 CG ASN A 19 -15.934 -5.981 -14.927 1.00 0.00 C ATOM 256 OD1 ASN A 19 -16.153 -6.769 -15.847 1.00 0.00 O ATOM 257 ND2 ASN A 19 -16.895 -5.522 -14.133 1.00 0.00 N ATOM 0 H ASN A 19 -14.901 -4.916 -12.278 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.161 -7.297 -13.553 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.567 -4.424 -14.392 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.928 -5.573 -15.550 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.860 -5.822 -14.274 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.668 -4.870 -13.382 1.00 0.00 H new ATOM 264 N ALA A 20 -11.751 -5.075 -13.237 1.00 0.00 N ATOM 265 CA ALA A 20 -10.309 -4.888 -13.328 1.00 0.00 C ATOM 266 C ALA A 20 -9.563 -6.099 -12.776 1.00 0.00 C ATOM 267 O ALA A 20 -9.879 -6.618 -11.706 1.00 0.00 O ATOM 268 CB ALA A 20 -9.892 -3.627 -12.587 1.00 0.00 C ATOM 0 H ALA A 20 -12.253 -4.290 -12.822 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.047 -4.781 -14.381 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.812 -3.500 -12.664 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.391 -2.764 -13.028 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.174 -3.712 -11.537 1.00 0.00 H new ATOM 274 N PRO A 21 -8.549 -6.561 -13.523 1.00 0.00 N ATOM 275 CA PRO A 21 -7.737 -7.716 -13.128 1.00 0.00 C ATOM 276 C PRO A 21 -6.846 -7.415 -11.928 1.00 0.00 C ATOM 277 O PRO A 21 -6.278 -6.328 -11.821 1.00 0.00 O ATOM 278 CB PRO A 21 -6.887 -7.993 -14.370 1.00 0.00 C ATOM 279 CG PRO A 21 -6.808 -6.683 -15.075 1.00 0.00 C ATOM 280 CD PRO A 21 -8.116 -5.990 -14.810 1.00 0.00 C ATOM 0 HA PRO A 21 -8.353 -8.561 -12.819 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.896 -8.357 -14.098 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.344 -8.755 -15.001 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.971 -6.091 -14.705 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.651 -6.824 -16.144 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.993 -4.909 -14.749 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.841 -6.184 -15.600 1.00 0.00 H new ATOM 288 N VAL A 22 -6.727 -8.385 -11.027 1.00 0.00 N ATOM 289 CA VAL A 22 -5.902 -8.224 -9.835 1.00 0.00 C ATOM 290 C VAL A 22 -4.421 -8.367 -10.168 1.00 0.00 C ATOM 291 O VAL A 22 -3.952 -9.453 -10.513 1.00 0.00 O ATOM 292 CB VAL A 22 -6.276 -9.254 -8.752 1.00 0.00 C ATOM 293 CG1 VAL A 22 -5.243 -9.252 -7.635 1.00 0.00 C ATOM 294 CG2 VAL A 22 -7.666 -8.969 -8.204 1.00 0.00 C ATOM 0 H VAL A 22 -7.191 -9.290 -11.100 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.089 -7.221 -9.452 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.285 -10.245 -9.205 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.523 -9.985 -6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.265 -9.507 -8.043 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.200 -8.262 -7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.914 -9.706 -7.440 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.687 -7.971 -7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.395 -9.025 -9.013 1.00 0.00 H new ATOM 304 N THR A 23 -3.687 -7.264 -10.062 1.00 0.00 N ATOM 305 CA THR A 23 -2.259 -7.265 -10.352 1.00 0.00 C ATOM 306 C THR A 23 -1.509 -8.205 -9.415 1.00 0.00 C ATOM 307 O THR A 23 -0.813 -9.118 -9.860 1.00 0.00 O ATOM 308 CB THR A 23 -1.660 -5.851 -10.230 1.00 0.00 C ATOM 309 OG1 THR A 23 -2.585 -4.882 -10.737 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.347 -5.753 -10.991 1.00 0.00 C ATOM 0 H THR A 23 -4.059 -6.358 -9.777 1.00 0.00 H new ATOM 0 HA THR A 23 -2.145 -7.612 -11.379 1.00 0.00 H new ATOM 0 HB THR A 23 -1.467 -5.651 -9.176 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.198 -3.986 -10.654 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.057 -4.746 -10.891 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.364 -6.472 -10.584 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.520 -5.971 -12.045 1.00 0.00 H new ATOM 318 N LYS A 24 -1.654 -7.976 -8.114 1.00 0.00 N ATOM 319 CA LYS A 24 -0.992 -8.803 -7.112 1.00 0.00 C ATOM 320 C LYS A 24 -1.691 -8.686 -5.761 1.00 0.00 C ATOM 321 O LYS A 24 -2.152 -7.610 -5.382 1.00 0.00 O ATOM 322 CB LYS A 24 0.477 -8.397 -6.976 1.00 0.00 C ATOM 323 CG LYS A 24 1.354 -9.481 -6.374 1.00 0.00 C ATOM 324 CD LYS A 24 2.754 -8.967 -6.081 1.00 0.00 C ATOM 325 CE LYS A 24 3.465 -9.839 -5.058 1.00 0.00 C ATOM 326 NZ LYS A 24 3.944 -11.116 -5.655 1.00 0.00 N ATOM 0 H LYS A 24 -2.225 -7.224 -7.729 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.047 -9.841 -7.440 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.865 -8.132 -7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.542 -7.503 -6.356 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.900 -9.848 -5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.412 -10.326 -7.060 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.334 -8.941 -7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.697 -7.943 -5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.311 -9.293 -4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.787 -10.056 -4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.423 -11.682 -4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.134 -11.649 -6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.610 -10.910 -6.427 1.00 0.00 H new ATOM 340 N ALA A 25 -1.763 -9.799 -5.039 1.00 0.00 N ATOM 341 CA ALA A 25 -2.402 -9.819 -3.729 1.00 0.00 C ATOM 342 C ALA A 25 -1.537 -10.550 -2.708 1.00 0.00 C ATOM 343 O ALA A 25 -0.870 -11.531 -3.034 1.00 0.00 O ATOM 344 CB ALA A 25 -3.775 -10.468 -3.821 1.00 0.00 C ATOM 0 H ALA A 25 -1.387 -10.698 -5.339 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.521 -8.788 -3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.240 -10.476 -2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.399 -9.902 -4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.670 -11.491 -4.181 1.00 0.00 H new ATOM 350 N GLY A 26 -1.554 -10.065 -1.470 1.00 0.00 N ATOM 351 CA GLY A 26 -0.766 -10.685 -0.420 1.00 0.00 C ATOM 352 C GLY A 26 -0.807 -9.899 0.876 1.00 0.00 C ATOM 353 O GLY A 26 -0.954 -8.677 0.863 1.00 0.00 O ATOM 0 H GLY A 26 -2.099 -9.255 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.135 -11.695 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.268 -10.778 -0.753 1.00 0.00 H new ATOM 357 N TRP A 27 -0.677 -10.601 1.995 1.00 0.00 N ATOM 358 CA TRP A 27 -0.702 -9.961 3.306 1.00 0.00 C ATOM 359 C TRP A 27 0.604 -9.220 3.574 1.00 0.00 C ATOM 360 O TRP A 27 1.650 -9.838 3.776 1.00 0.00 O ATOM 361 CB TRP A 27 -0.946 -11.001 4.400 1.00 0.00 C ATOM 362 CG TRP A 27 -2.375 -11.443 4.491 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.968 -12.450 3.784 1.00 0.00 C ATOM 364 CD2 TRP A 27 -3.391 -10.891 5.335 1.00 0.00 C ATOM 365 NE1 TRP A 27 -4.291 -12.558 4.138 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.575 -11.613 5.089 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.415 -9.859 6.277 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.768 -11.333 5.750 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.600 -9.583 6.932 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.763 -10.318 6.667 1.00 0.00 C ATOM 0 H TRP A 27 -0.553 -11.613 2.022 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.517 -9.238 3.314 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.316 -11.870 4.212 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.640 -10.586 5.360 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.470 -13.070 3.054 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.954 -13.232 3.755 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.524 -9.288 6.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.666 -11.897 5.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.630 -8.787 7.661 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.673 -10.079 7.197 1.00 0.00 H new ATOM 381 N LEU A 28 0.536 -7.893 3.574 1.00 0.00 N ATOM 382 CA LEU A 28 1.714 -7.067 3.818 1.00 0.00 C ATOM 383 C LEU A 28 1.599 -6.335 5.151 1.00 0.00 C ATOM 384 O LEU A 28 0.582 -6.431 5.839 1.00 0.00 O ATOM 385 CB LEU A 28 1.897 -6.058 2.683 1.00 0.00 C ATOM 386 CG LEU A 28 2.623 -6.572 1.439 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.538 -5.554 0.313 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.075 -6.893 1.762 1.00 0.00 C ATOM 0 H LEU A 28 -0.322 -7.366 3.408 1.00 0.00 H new ATOM 0 HA LEU A 28 2.585 -7.722 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.913 -5.697 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.446 -5.200 3.071 1.00 0.00 H new ATOM 0 HG LEU A 28 2.134 -7.489 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.060 -5.937 -0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.492 -5.374 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.001 -4.620 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.575 -7.257 0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.576 -5.993 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.115 -7.659 2.536 1.00 0.00 H new ATOM 400 N PHE A 29 2.647 -5.602 5.510 1.00 0.00 N ATOM 401 CA PHE A 29 2.664 -4.852 6.761 1.00 0.00 C ATOM 402 C PHE A 29 2.737 -3.351 6.494 1.00 0.00 C ATOM 403 O PHE A 29 3.683 -2.864 5.875 1.00 0.00 O ATOM 404 CB PHE A 29 3.850 -5.286 7.625 1.00 0.00 C ATOM 405 CG PHE A 29 3.696 -6.662 8.206 1.00 0.00 C ATOM 406 CD1 PHE A 29 3.558 -7.766 7.381 1.00 0.00 C ATOM 407 CD2 PHE A 29 3.688 -6.851 9.579 1.00 0.00 C ATOM 408 CE1 PHE A 29 3.417 -9.034 7.913 1.00 0.00 C ATOM 409 CE2 PHE A 29 3.547 -8.117 10.117 1.00 0.00 C ATOM 410 CZ PHE A 29 3.410 -9.209 9.283 1.00 0.00 C ATOM 0 H PHE A 29 3.496 -5.511 4.952 1.00 0.00 H new ATOM 0 HA PHE A 29 1.738 -5.064 7.295 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.758 -5.254 7.024 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.979 -4.570 8.437 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.561 -7.635 6.309 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.793 -6.000 10.236 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.312 -9.887 7.258 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.544 -8.252 11.189 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.298 -10.198 9.701 1.00 0.00 H new ATOM 420 N LYS A 30 1.730 -2.623 6.965 1.00 0.00 N ATOM 421 CA LYS A 30 1.678 -1.178 6.779 1.00 0.00 C ATOM 422 C LYS A 30 2.221 -0.452 8.005 1.00 0.00 C ATOM 423 O LYS A 30 1.679 -0.579 9.103 1.00 0.00 O ATOM 424 CB LYS A 30 0.241 -0.730 6.503 1.00 0.00 C ATOM 425 CG LYS A 30 0.143 0.661 5.900 1.00 0.00 C ATOM 426 CD LYS A 30 -1.174 0.860 5.169 1.00 0.00 C ATOM 427 CE LYS A 30 -1.583 2.325 5.146 1.00 0.00 C ATOM 428 NZ LYS A 30 -0.737 3.123 4.217 1.00 0.00 N ATOM 0 H LYS A 30 0.939 -3.011 7.479 1.00 0.00 H new ATOM 0 HA LYS A 30 2.302 -0.924 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.230 -1.444 5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.323 -0.753 7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.239 1.408 6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.971 0.818 5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.084 0.490 4.148 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.953 0.271 5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.628 2.406 4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.508 2.739 6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.311 3.873 3.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.050 3.551 4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.358 2.503 3.473 1.00 0.00 H new ATOM 442 N GLN A 31 3.293 0.310 7.810 1.00 0.00 N ATOM 443 CA GLN A 31 3.908 1.056 8.901 1.00 0.00 C ATOM 444 C GLN A 31 2.896 1.987 9.562 1.00 0.00 C ATOM 445 O GLN A 31 2.116 2.654 8.883 1.00 0.00 O ATOM 446 CB GLN A 31 5.101 1.863 8.386 1.00 0.00 C ATOM 447 CG GLN A 31 6.188 2.074 9.428 1.00 0.00 C ATOM 448 CD GLN A 31 6.979 3.346 9.197 1.00 0.00 C ATOM 449 OE1 GLN A 31 6.409 4.424 9.029 1.00 0.00 O ATOM 450 NE2 GLN A 31 8.302 3.227 9.187 1.00 0.00 N ATOM 0 H GLN A 31 3.753 0.427 6.907 1.00 0.00 H new ATOM 0 HA GLN A 31 4.257 0.341 9.646 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.530 1.352 7.524 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.749 2.834 8.038 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.735 2.108 10.419 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.867 1.221 9.417 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.733 2.314 9.331 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.887 4.049 9.036 1.00 0.00 H new ATOM 459 N ALA A 32 2.915 2.027 10.890 1.00 0.00 N ATOM 460 CA ALA A 32 2.001 2.877 11.642 1.00 0.00 C ATOM 461 C ALA A 32 2.125 4.334 11.209 1.00 0.00 C ATOM 462 O ALA A 32 3.154 4.748 10.676 1.00 0.00 O ATOM 463 CB ALA A 32 2.264 2.744 13.135 1.00 0.00 C ATOM 0 H ALA A 32 3.554 1.480 11.467 1.00 0.00 H new ATOM 0 HA ALA A 32 0.983 2.548 11.433 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.574 3.384 13.684 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.118 1.708 13.439 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.289 3.045 13.352 1.00 0.00 H new ATOM 536 N GLN A 38 5.302 1.021 14.920 1.00 0.00 N ATOM 537 CA GLN A 38 4.971 -0.391 14.774 1.00 0.00 C ATOM 538 C GLN A 38 4.411 -0.679 13.385 1.00 0.00 C ATOM 539 O GLN A 38 4.187 0.238 12.594 1.00 0.00 O ATOM 540 CB GLN A 38 3.961 -0.813 15.842 1.00 0.00 C ATOM 541 CG GLN A 38 2.552 -0.305 15.580 1.00 0.00 C ATOM 542 CD GLN A 38 1.508 -1.029 16.408 1.00 0.00 C ATOM 543 OE1 GLN A 38 1.264 -2.220 16.217 1.00 0.00 O ATOM 544 NE2 GLN A 38 0.884 -0.310 17.334 1.00 0.00 N ATOM 0 HA GLN A 38 5.887 -0.968 14.902 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.941 -1.901 15.902 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.296 -0.447 16.812 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.508 0.762 15.799 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.318 -0.424 14.522 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.118 0.675 17.458 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.171 -0.743 17.921 1.00 0.00 H new ATOM 553 N TRP A 39 4.188 -1.955 13.095 1.00 0.00 N ATOM 554 CA TRP A 39 3.655 -2.363 11.800 1.00 0.00 C ATOM 555 C TRP A 39 2.374 -3.174 11.970 1.00 0.00 C ATOM 556 O TRP A 39 2.287 -4.037 12.842 1.00 0.00 O ATOM 557 CB TRP A 39 4.693 -3.182 11.032 1.00 0.00 C ATOM 558 CG TRP A 39 5.999 -2.467 10.853 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.987 -2.319 11.784 1.00 0.00 C ATOM 560 CD2 TRP A 39 6.456 -1.803 9.670 1.00 0.00 C ATOM 561 NE1 TRP A 39 8.031 -1.602 11.251 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.730 -1.274 9.955 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.915 -1.605 8.397 1.00 0.00 C ATOM 564 CZ2 TRP A 39 8.468 -0.561 9.014 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.648 -0.896 7.464 1.00 0.00 C ATOM 566 CH2 TRP A 39 7.913 -0.382 7.776 1.00 0.00 C ATOM 0 H TRP A 39 4.368 -2.725 13.739 1.00 0.00 H new ATOM 0 HA TRP A 39 3.421 -1.463 11.232 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.869 -4.119 11.560 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.290 -3.439 10.052 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.953 -2.708 12.791 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.891 -1.354 11.741 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.941 -1.999 8.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.443 -0.163 9.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.238 -0.736 6.478 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.461 0.167 7.025 1.00 0.00 H new ATOM 577 N ASN A 40 1.384 -2.890 11.131 1.00 0.00 N ATOM 578 CA ASN A 40 0.108 -3.593 11.189 1.00 0.00 C ATOM 579 C ASN A 40 -0.083 -4.477 9.960 1.00 0.00 C ATOM 580 O ASN A 40 -0.190 -3.984 8.837 1.00 0.00 O ATOM 581 CB ASN A 40 -1.045 -2.593 11.296 1.00 0.00 C ATOM 582 CG ASN A 40 -1.026 -1.825 12.603 1.00 0.00 C ATOM 583 OD1 ASN A 40 0.022 -1.037 12.811 1.00 0.00 O flip ATOM 584 ND2 ASN A 40 -1.943 -1.940 13.417 1.00 0.00 N flip ATOM 0 H ASN A 40 1.441 -2.178 10.403 1.00 0.00 H new ATOM 0 HA ASN A 40 0.112 -4.229 12.075 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.991 -1.890 10.464 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.992 -3.124 11.204 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.729 -2.558 13.215 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -1.916 -1.418 14.293 1.00 0.00 H new ATOM 591 N LYS A 41 -0.125 -5.787 10.181 1.00 0.00 N ATOM 592 CA LYS A 41 -0.305 -6.741 9.093 1.00 0.00 C ATOM 593 C LYS A 41 -1.730 -6.689 8.553 1.00 0.00 C ATOM 594 O LYS A 41 -2.683 -7.022 9.258 1.00 0.00 O ATOM 595 CB LYS A 41 0.019 -8.158 9.572 1.00 0.00 C ATOM 596 CG LYS A 41 -0.037 -9.200 8.469 1.00 0.00 C ATOM 597 CD LYS A 41 -0.200 -10.602 9.033 1.00 0.00 C ATOM 598 CE LYS A 41 -0.456 -11.620 7.933 1.00 0.00 C ATOM 599 NZ LYS A 41 -0.660 -12.989 8.480 1.00 0.00 N ATOM 0 H LYS A 41 -0.037 -6.212 11.104 1.00 0.00 H new ATOM 0 HA LYS A 41 0.379 -6.470 8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.015 -8.164 10.016 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.682 -8.436 10.359 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.868 -8.978 7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.875 -9.150 7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.698 -10.880 9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.027 -10.616 9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.335 -11.323 7.361 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.387 -11.627 7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.831 -13.653 7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.188 -13.283 9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.480 -12.989 9.120 1.00 0.00 H new ATOM 613 N ARG A 42 -1.868 -6.269 7.300 1.00 0.00 N ATOM 614 CA ARG A 42 -3.178 -6.174 6.666 1.00 0.00 C ATOM 615 C ARG A 42 -3.152 -6.790 5.270 1.00 0.00 C ATOM 616 O ARG A 42 -2.087 -7.101 4.738 1.00 0.00 O ATOM 617 CB ARG A 42 -3.622 -4.713 6.582 1.00 0.00 C ATOM 618 CG ARG A 42 -3.845 -4.065 7.939 1.00 0.00 C ATOM 619 CD ARG A 42 -5.253 -4.318 8.453 1.00 0.00 C ATOM 620 NE ARG A 42 -5.310 -4.325 9.913 1.00 0.00 N ATOM 621 CZ ARG A 42 -6.436 -4.190 10.605 1.00 0.00 C ATOM 622 NH1 ARG A 42 -7.592 -4.039 9.974 1.00 0.00 N ATOM 623 NH2 ARG A 42 -6.406 -4.207 11.931 1.00 0.00 N ATOM 0 H ARG A 42 -1.089 -5.989 6.704 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.891 -6.729 7.276 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.869 -4.144 6.037 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.545 -4.655 6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.120 -4.456 8.653 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.672 -2.992 7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.923 -3.549 8.068 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.612 -5.274 8.072 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.438 -4.440 10.429 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.619 -4.026 8.954 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.455 -3.936 10.508 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.518 -4.324 12.420 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.271 -4.103 12.462 1.00 0.00 H new ATOM 637 N TRP A 43 -4.332 -6.964 4.685 1.00 0.00 N ATOM 638 CA TRP A 43 -4.444 -7.543 3.351 1.00 0.00 C ATOM 639 C TRP A 43 -4.225 -6.484 2.277 1.00 0.00 C ATOM 640 O TRP A 43 -4.966 -5.503 2.198 1.00 0.00 O ATOM 641 CB TRP A 43 -5.817 -8.194 3.170 1.00 0.00 C ATOM 642 CG TRP A 43 -6.032 -8.754 1.796 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.962 -8.347 0.882 1.00 0.00 C ATOM 644 CD2 TRP A 43 -5.304 -9.823 1.183 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.855 -9.099 -0.263 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.846 -10.011 -0.104 1.00 0.00 C ATOM 647 CE3 TRP A 43 -4.247 -10.639 1.594 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -5.365 -10.981 -0.979 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.771 -11.602 0.724 1.00 0.00 C ATOM 650 CH2 TRP A 43 -4.329 -11.766 -0.551 1.00 0.00 C ATOM 0 H TRP A 43 -5.223 -6.713 5.113 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.671 -8.304 3.246 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.932 -8.993 3.902 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.592 -7.456 3.379 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.676 -7.552 1.037 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.434 -8.995 -1.097 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.810 -10.519 2.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.795 -11.110 -1.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.955 -12.239 1.032 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.934 -12.526 -1.208 1.00 0.00 H new ATOM 661 N PHE A 44 -3.204 -6.687 1.451 1.00 0.00 N ATOM 662 CA PHE A 44 -2.887 -5.748 0.382 1.00 0.00 C ATOM 663 C PHE A 44 -3.312 -6.304 -0.974 1.00 0.00 C ATOM 664 O PHE A 44 -3.126 -7.488 -1.258 1.00 0.00 O ATOM 665 CB PHE A 44 -1.388 -5.440 0.372 1.00 0.00 C ATOM 666 CG PHE A 44 -1.008 -4.286 1.255 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.603 -4.120 2.495 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.054 -3.368 0.846 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.256 -3.059 3.310 1.00 0.00 C ATOM 670 CE2 PHE A 44 0.298 -2.304 1.656 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.303 -2.151 2.890 1.00 0.00 C ATOM 0 H PHE A 44 -2.582 -7.494 1.502 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.439 -4.826 0.567 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.841 -6.327 0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.076 -5.223 -0.650 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.347 -4.828 2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.420 -3.485 -0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.729 -2.940 4.274 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.041 -1.594 1.324 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.028 -1.322 3.526 1.00 0.00 H new ATOM 681 N VAL A 45 -3.884 -5.442 -1.808 1.00 0.00 N ATOM 682 CA VAL A 45 -4.336 -5.845 -3.134 1.00 0.00 C ATOM 683 C VAL A 45 -4.035 -4.767 -4.169 1.00 0.00 C ATOM 684 O VAL A 45 -4.378 -3.599 -3.983 1.00 0.00 O ATOM 685 CB VAL A 45 -5.847 -6.145 -3.146 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.320 -6.448 -4.559 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.168 -7.299 -2.208 1.00 0.00 C ATOM 0 H VAL A 45 -4.046 -4.459 -1.589 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.791 -6.753 -3.391 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.378 -5.261 -2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.390 -6.657 -4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.125 -5.588 -5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.784 -7.316 -4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.240 -7.497 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.628 -8.190 -2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.867 -7.038 -1.193 1.00 0.00 H new ATOM 697 N LEU A 46 -3.392 -5.166 -5.261 1.00 0.00 N ATOM 698 CA LEU A 46 -3.045 -4.234 -6.328 1.00 0.00 C ATOM 699 C LEU A 46 -3.980 -4.399 -7.522 1.00 0.00 C ATOM 700 O LEU A 46 -3.980 -5.436 -8.185 1.00 0.00 O ATOM 701 CB LEU A 46 -1.595 -4.448 -6.767 1.00 0.00 C ATOM 702 CG LEU A 46 -1.048 -3.449 -7.788 1.00 0.00 C ATOM 703 CD1 LEU A 46 -0.939 -2.063 -7.172 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.303 -3.909 -8.314 1.00 0.00 C ATOM 0 H LEU A 46 -3.100 -6.129 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.156 -3.221 -5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.960 -4.416 -5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.508 -5.450 -7.186 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.743 -3.398 -8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.548 -1.365 -7.913 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.925 -1.731 -6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.266 -2.097 -6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.677 -3.186 -9.039 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.007 -3.990 -7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.195 -4.881 -8.794 1.00 0.00 H new ATOM 716 N VAL A 47 -4.775 -3.368 -7.791 1.00 0.00 N ATOM 717 CA VAL A 47 -5.712 -3.398 -8.907 1.00 0.00 C ATOM 718 C VAL A 47 -5.835 -2.025 -9.559 1.00 0.00 C ATOM 719 O VAL A 47 -6.034 -1.019 -8.877 1.00 0.00 O ATOM 720 CB VAL A 47 -7.108 -3.866 -8.456 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.175 -3.379 -9.425 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.145 -5.381 -8.327 1.00 0.00 C ATOM 0 H VAL A 47 -4.789 -2.502 -7.252 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.316 -4.108 -9.633 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.318 -3.435 -7.477 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.154 -3.720 -9.089 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.163 -2.290 -9.462 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.973 -3.778 -10.419 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.139 -5.695 -8.007 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.914 -5.834 -9.291 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.409 -5.701 -7.590 1.00 0.00 H new ATOM 732 N ASP A 48 -5.716 -1.990 -10.881 1.00 0.00 N ATOM 733 CA ASP A 48 -5.815 -0.740 -11.626 1.00 0.00 C ATOM 734 C ASP A 48 -4.654 0.189 -11.284 1.00 0.00 C ATOM 735 O ASP A 48 -4.861 1.338 -10.895 1.00 0.00 O ATOM 736 CB ASP A 48 -7.145 -0.047 -11.326 1.00 0.00 C ATOM 737 CG ASP A 48 -7.595 0.856 -12.457 1.00 0.00 C ATOM 738 OD1 ASP A 48 -7.433 0.462 -13.630 1.00 0.00 O ATOM 739 OD2 ASP A 48 -8.108 1.958 -12.168 1.00 0.00 O ATOM 0 H ASP A 48 -5.551 -2.813 -11.460 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.768 -0.974 -12.690 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.910 -0.801 -11.140 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.048 0.540 -10.413 1.00 0.00 H new ATOM 744 N ARG A 49 -3.434 -0.317 -11.432 1.00 0.00 N ATOM 745 CA ARG A 49 -2.241 0.467 -11.138 1.00 0.00 C ATOM 746 C ARG A 49 -2.391 1.208 -9.812 1.00 0.00 C ATOM 747 O ARG A 49 -1.796 2.267 -9.611 1.00 0.00 O ATOM 748 CB ARG A 49 -1.970 1.465 -12.264 1.00 0.00 C ATOM 749 CG ARG A 49 -1.361 0.833 -13.505 1.00 0.00 C ATOM 750 CD ARG A 49 -1.082 1.871 -14.581 1.00 0.00 C ATOM 751 NE ARG A 49 -2.262 2.145 -15.396 1.00 0.00 N ATOM 752 CZ ARG A 49 -2.806 1.258 -16.223 1.00 0.00 C ATOM 753 NH1 ARG A 49 -2.278 0.047 -16.342 1.00 0.00 N ATOM 754 NH2 ARG A 49 -3.880 1.581 -16.932 1.00 0.00 N ATOM 0 H ARG A 49 -3.246 -1.266 -11.754 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.397 -0.218 -11.059 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.905 1.954 -12.537 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.300 2.242 -11.896 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.434 0.326 -13.238 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.038 0.074 -13.897 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.742 2.795 -14.114 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.272 1.521 -15.221 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.692 3.067 -15.327 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.453 -0.205 -15.798 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.697 -0.632 -16.977 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.289 2.511 -16.843 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.296 0.899 -17.566 1.00 0.00 H new ATOM 768 N CYS A 50 -3.189 0.644 -8.913 1.00 0.00 N ATOM 769 CA CYS A 50 -3.419 1.252 -7.607 1.00 0.00 C ATOM 770 C CYS A 50 -3.356 0.203 -6.500 1.00 0.00 C ATOM 771 O CYS A 50 -3.531 -0.990 -6.751 1.00 0.00 O ATOM 772 CB CYS A 50 -4.775 1.958 -7.581 1.00 0.00 C ATOM 773 SG CYS A 50 -4.832 3.484 -8.549 1.00 0.00 S ATOM 0 H CYS A 50 -3.688 -0.233 -9.064 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.633 1.986 -7.432 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.536 1.274 -7.956 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.034 2.186 -6.547 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.862 3.193 -9.816 1.00 0.00 H new ATOM 779 N LEU A 51 -3.104 0.656 -5.277 1.00 0.00 N ATOM 780 CA LEU A 51 -3.016 -0.243 -4.132 1.00 0.00 C ATOM 781 C LEU A 51 -4.274 -0.155 -3.273 1.00 0.00 C ATOM 782 O LEU A 51 -4.849 0.920 -3.103 1.00 0.00 O ATOM 783 CB LEU A 51 -1.785 0.093 -3.288 1.00 0.00 C ATOM 784 CG LEU A 51 -1.218 -1.049 -2.445 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.275 -0.860 -2.224 1.00 0.00 C ATOM 786 CD2 LEU A 51 -1.948 -1.142 -1.113 1.00 0.00 C ATOM 0 H LEU A 51 -2.957 1.640 -5.053 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.925 -1.262 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.000 0.451 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.040 0.918 -2.622 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.369 -1.983 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.661 -1.683 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.786 -0.844 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.450 0.082 -1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.531 -1.960 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.829 -0.206 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.008 -1.326 -1.291 1.00 0.00 H new ATOM 798 N PHE A 52 -4.696 -1.294 -2.733 1.00 0.00 N ATOM 799 CA PHE A 52 -5.885 -1.346 -1.891 1.00 0.00 C ATOM 800 C PHE A 52 -5.666 -2.272 -0.698 1.00 0.00 C ATOM 801 O PHE A 52 -5.415 -3.466 -0.863 1.00 0.00 O ATOM 802 CB PHE A 52 -7.091 -1.820 -2.704 1.00 0.00 C ATOM 803 CG PHE A 52 -7.370 -0.972 -3.912 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.670 0.374 -3.776 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.334 -1.521 -5.184 1.00 0.00 C ATOM 806 CE1 PHE A 52 -7.927 1.157 -4.885 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.590 -0.743 -6.297 1.00 0.00 C ATOM 808 CZ PHE A 52 -7.888 0.597 -6.147 1.00 0.00 C ATOM 0 H PHE A 52 -4.232 -2.193 -2.864 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.080 -0.341 -1.518 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.922 -2.849 -3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.972 -1.826 -2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.703 0.816 -2.791 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.103 -2.569 -5.307 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.158 2.205 -4.765 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.557 -1.182 -7.283 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.090 1.206 -7.015 1.00 0.00 H new ATOM 818 N TYR A 53 -5.763 -1.712 0.503 1.00 0.00 N ATOM 819 CA TYR A 53 -5.573 -2.486 1.724 1.00 0.00 C ATOM 820 C TYR A 53 -6.902 -2.713 2.438 1.00 0.00 C ATOM 821 O TYR A 53 -7.567 -1.764 2.853 1.00 0.00 O ATOM 822 CB TYR A 53 -4.595 -1.771 2.659 1.00 0.00 C ATOM 823 CG TYR A 53 -5.217 -0.624 3.423 1.00 0.00 C ATOM 824 CD1 TYR A 53 -5.895 -0.844 4.616 1.00 0.00 C ATOM 825 CD2 TYR A 53 -5.129 0.680 2.951 1.00 0.00 C ATOM 826 CE1 TYR A 53 -6.465 0.200 5.317 1.00 0.00 C ATOM 827 CE2 TYR A 53 -5.695 1.731 3.647 1.00 0.00 C ATOM 828 CZ TYR A 53 -6.362 1.486 4.829 1.00 0.00 C ATOM 829 OH TYR A 53 -6.928 2.530 5.523 1.00 0.00 O ATOM 0 H TYR A 53 -5.972 -0.726 0.657 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.159 -3.456 1.448 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.191 -2.493 3.369 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.756 -1.394 2.074 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.977 -1.849 5.002 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.609 0.875 2.025 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.989 0.011 6.242 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.615 2.739 3.267 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.571 3.378 5.186 1.00 0.00 H new ATOM 839 N TYR A 54 -7.283 -3.978 2.576 1.00 0.00 N ATOM 840 CA TYR A 54 -8.533 -4.332 3.238 1.00 0.00 C ATOM 841 C TYR A 54 -8.274 -4.870 4.641 1.00 0.00 C ATOM 842 O TYR A 54 -7.127 -4.972 5.079 1.00 0.00 O ATOM 843 CB TYR A 54 -9.294 -5.372 2.413 1.00 0.00 C ATOM 844 CG TYR A 54 -9.805 -4.842 1.093 1.00 0.00 C ATOM 845 CD1 TYR A 54 -8.982 -4.800 -0.027 1.00 0.00 C ATOM 846 CD2 TYR A 54 -11.110 -4.382 0.964 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.444 -4.316 -1.235 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.580 -3.897 -0.241 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.744 -3.866 -1.337 1.00 0.00 C ATOM 850 OH TYR A 54 -11.209 -3.383 -2.539 1.00 0.00 O ATOM 0 H TYR A 54 -6.744 -4.775 2.238 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.138 -3.429 3.321 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.640 -6.223 2.224 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.137 -5.741 2.997 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.964 -5.152 0.049 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.768 -4.404 1.820 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.791 -4.290 -2.095 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.597 -3.544 -0.324 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.187 -3.333 -2.515 1.00 0.00 H new ATOM 860 N LYS A 55 -9.348 -5.215 5.343 1.00 0.00 N ATOM 861 CA LYS A 55 -9.240 -5.745 6.697 1.00 0.00 C ATOM 862 C LYS A 55 -8.877 -7.227 6.674 1.00 0.00 C ATOM 863 O LYS A 55 -8.203 -7.725 7.576 1.00 0.00 O ATOM 864 CB LYS A 55 -10.555 -5.543 7.453 1.00 0.00 C ATOM 865 CG LYS A 55 -11.717 -6.328 6.872 1.00 0.00 C ATOM 866 CD LYS A 55 -13.054 -5.726 7.273 1.00 0.00 C ATOM 867 CE LYS A 55 -14.192 -6.717 7.080 1.00 0.00 C ATOM 868 NZ LYS A 55 -14.162 -7.340 5.728 1.00 0.00 N ATOM 0 H LYS A 55 -10.304 -5.137 4.996 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.446 -5.202 7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.415 -5.835 8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.807 -4.482 7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.637 -6.347 5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.666 -7.362 7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.015 -5.414 8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.244 -4.832 6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.128 -7.496 7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.145 -6.208 7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.100 -7.731 5.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.909 -6.621 5.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.456 -8.104 5.713 1.00 0.00 H new ATOM 882 N ASP A 56 -9.327 -7.925 5.637 1.00 0.00 N ATOM 883 CA ASP A 56 -9.047 -9.349 5.496 1.00 0.00 C ATOM 884 C ASP A 56 -9.144 -9.779 4.035 1.00 0.00 C ATOM 885 O ASP A 56 -9.430 -8.966 3.157 1.00 0.00 O ATOM 886 CB ASP A 56 -10.018 -10.168 6.347 1.00 0.00 C ATOM 887 CG ASP A 56 -9.426 -11.492 6.789 1.00 0.00 C ATOM 888 OD1 ASP A 56 -9.476 -12.458 5.999 1.00 0.00 O ATOM 889 OD2 ASP A 56 -8.912 -11.561 7.925 1.00 0.00 O ATOM 0 H ASP A 56 -9.887 -7.528 4.882 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.030 -9.531 5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.303 -9.590 7.226 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.929 -10.353 5.777 1.00 0.00 H new ATOM 894 N GLU A 57 -8.903 -11.062 3.784 1.00 0.00 N ATOM 895 CA GLU A 57 -8.961 -11.598 2.429 1.00 0.00 C ATOM 896 C GLU A 57 -10.342 -11.380 1.817 1.00 0.00 C ATOM 897 O GLU A 57 -10.524 -11.508 0.606 1.00 0.00 O ATOM 898 CB GLU A 57 -8.623 -13.091 2.433 1.00 0.00 C ATOM 899 CG GLU A 57 -7.375 -13.430 3.231 1.00 0.00 C ATOM 900 CD GLU A 57 -6.997 -14.894 3.128 1.00 0.00 C ATOM 901 OE1 GLU A 57 -6.448 -15.294 2.080 1.00 0.00 O ATOM 902 OE2 GLU A 57 -7.249 -15.641 4.097 1.00 0.00 O ATOM 0 H GLU A 57 -8.666 -11.749 4.500 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.226 -11.068 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.468 -13.645 2.842 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.489 -13.428 1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.545 -12.819 2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.537 -13.173 4.278 1.00 0.00 H new ATOM 909 N LYS A 58 -11.312 -11.051 2.662 1.00 0.00 N ATOM 910 CA LYS A 58 -12.677 -10.814 2.207 1.00 0.00 C ATOM 911 C LYS A 58 -12.778 -9.490 1.457 1.00 0.00 C ATOM 912 O LYS A 58 -13.663 -9.305 0.623 1.00 0.00 O ATOM 913 CB LYS A 58 -13.641 -10.815 3.396 1.00 0.00 C ATOM 914 CG LYS A 58 -13.719 -12.151 4.115 1.00 0.00 C ATOM 915 CD LYS A 58 -14.984 -12.262 4.948 1.00 0.00 C ATOM 916 CE LYS A 58 -14.904 -13.420 5.931 1.00 0.00 C ATOM 917 NZ LYS A 58 -13.961 -13.135 7.048 1.00 0.00 N ATOM 0 H LYS A 58 -11.178 -10.942 3.667 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.951 -11.619 1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.331 -10.048 4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.636 -10.542 3.046 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.690 -12.960 3.385 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.847 -12.271 4.758 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.145 -11.332 5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.843 -12.400 4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.896 -13.622 6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.584 -14.320 5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.106 -13.827 7.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.983 -13.202 6.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.135 -12.177 7.413 1.00 0.00 H new ATOM 931 N GLU A 59 -11.866 -8.572 1.761 1.00 0.00 N ATOM 932 CA GLU A 59 -11.853 -7.265 1.114 1.00 0.00 C ATOM 933 C GLU A 59 -13.271 -6.812 0.777 1.00 0.00 C ATOM 934 O GLU A 59 -13.575 -6.495 -0.373 1.00 0.00 O ATOM 935 CB GLU A 59 -11.004 -7.308 -0.158 1.00 0.00 C ATOM 936 CG GLU A 59 -10.937 -8.685 -0.798 1.00 0.00 C ATOM 937 CD GLU A 59 -12.094 -8.944 -1.744 1.00 0.00 C ATOM 938 OE1 GLU A 59 -12.271 -8.156 -2.696 1.00 0.00 O ATOM 939 OE2 GLU A 59 -12.821 -9.937 -1.531 1.00 0.00 O ATOM 0 H GLU A 59 -11.127 -8.709 2.451 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.416 -6.548 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.410 -6.600 -0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.993 -6.977 0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.998 -8.783 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.934 -9.445 -0.017 1.00 0.00 H new ATOM 946 N GLU A 60 -14.133 -6.784 1.788 1.00 0.00 N ATOM 947 CA GLU A 60 -15.519 -6.370 1.599 1.00 0.00 C ATOM 948 C GLU A 60 -15.595 -4.919 1.133 1.00 0.00 C ATOM 949 O GLU A 60 -16.068 -4.632 0.034 1.00 0.00 O ATOM 950 CB GLU A 60 -16.308 -6.543 2.898 1.00 0.00 C ATOM 951 CG GLU A 60 -16.969 -7.905 3.033 1.00 0.00 C ATOM 952 CD GLU A 60 -18.218 -8.034 2.182 1.00 0.00 C ATOM 953 OE1 GLU A 60 -18.125 -7.823 0.955 1.00 0.00 O ATOM 954 OE2 GLU A 60 -19.288 -8.347 2.745 1.00 0.00 O ATOM 0 H GLU A 60 -13.897 -7.043 2.746 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.959 -7.004 0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.638 -6.389 3.743 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.074 -5.770 2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.258 -8.680 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -17.226 -8.078 4.078 1.00 0.00 H new ATOM 961 N SER A 61 -15.125 -4.007 1.979 1.00 0.00 N ATOM 962 CA SER A 61 -15.143 -2.585 1.657 1.00 0.00 C ATOM 963 C SER A 61 -13.745 -1.985 1.768 1.00 0.00 C ATOM 964 O SER A 61 -13.041 -2.202 2.755 1.00 0.00 O ATOM 965 CB SER A 61 -16.104 -1.843 2.588 1.00 0.00 C ATOM 966 OG SER A 61 -17.435 -2.301 2.418 1.00 0.00 O ATOM 0 H SER A 61 -14.727 -4.228 2.892 1.00 0.00 H new ATOM 0 HA SER A 61 -15.486 -2.474 0.628 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.796 -1.987 3.624 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.056 -0.773 2.387 1.00 0.00 H new ATOM 0 HG SER A 61 -18.029 -1.813 3.025 1.00 0.00 H new ATOM 972 N ILE A 62 -13.350 -1.230 0.749 1.00 0.00 N ATOM 973 CA ILE A 62 -12.037 -0.598 0.731 1.00 0.00 C ATOM 974 C ILE A 62 -11.852 0.318 1.937 1.00 0.00 C ATOM 975 O ILE A 62 -12.547 1.325 2.078 1.00 0.00 O ATOM 976 CB ILE A 62 -11.822 0.219 -0.557 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.846 -0.701 -1.779 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.508 0.982 -0.488 1.00 0.00 C ATOM 979 CD1 ILE A 62 -11.973 0.041 -3.091 1.00 0.00 C ATOM 0 H ILE A 62 -13.921 -1.041 -0.075 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.300 -1.400 0.769 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.633 0.941 -0.652 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.933 -1.296 -1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.679 -1.398 -1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.371 1.554 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.526 1.661 0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.684 0.278 -0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.984 -0.674 -3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.900 0.614 -3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -11.127 0.718 -3.209 1.00 0.00 H new ATOM 991 N LEU A 63 -10.908 -0.036 2.802 1.00 0.00 N ATOM 992 CA LEU A 63 -10.629 0.755 3.996 1.00 0.00 C ATOM 993 C LEU A 63 -9.877 2.033 3.639 1.00 0.00 C ATOM 994 O LEU A 63 -10.126 3.093 4.211 1.00 0.00 O ATOM 995 CB LEU A 63 -9.815 -0.067 4.997 1.00 0.00 C ATOM 996 CG LEU A 63 -10.327 -1.480 5.279 1.00 0.00 C ATOM 997 CD1 LEU A 63 -9.429 -2.182 6.286 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.763 -1.437 5.781 1.00 0.00 C ATOM 0 H LEU A 63 -10.323 -0.865 2.699 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.581 1.031 4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.791 -0.140 4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.777 0.479 5.940 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.306 -2.046 4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.809 -3.186 6.474 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.416 -2.246 5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.417 -1.618 7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.111 -2.451 5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.810 -0.854 6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.399 -0.975 5.026 1.00 0.00 H new ATOM 1010 N GLY A 64 -8.956 1.925 2.686 1.00 0.00 N ATOM 1011 CA GLY A 64 -8.183 3.079 2.267 1.00 0.00 C ATOM 1012 C GLY A 64 -7.362 2.807 1.022 1.00 0.00 C ATOM 1013 O GLY A 64 -6.505 1.923 1.016 1.00 0.00 O ATOM 0 H GLY A 64 -8.732 1.059 2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.857 3.915 2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.519 3.381 3.077 1.00 0.00 H new ATOM 1017 N SER A 65 -7.625 3.567 -0.037 1.00 0.00 N ATOM 1018 CA SER A 65 -6.908 3.399 -1.295 1.00 0.00 C ATOM 1019 C SER A 65 -5.679 4.302 -1.345 1.00 0.00 C ATOM 1020 O SER A 65 -5.580 5.275 -0.597 1.00 0.00 O ATOM 1021 CB SER A 65 -7.830 3.707 -2.477 1.00 0.00 C ATOM 1022 OG SER A 65 -7.089 3.861 -3.675 1.00 0.00 O ATOM 0 H SER A 65 -8.329 4.305 -0.048 1.00 0.00 H new ATOM 0 HA SER A 65 -6.578 2.362 -1.361 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.556 2.902 -2.595 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.394 4.618 -2.275 1.00 0.00 H new ATOM 0 HG SER A 65 -6.974 2.987 -4.103 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.746 3.973 -2.231 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.525 4.754 -2.380 1.00 0.00 C ATOM 1030 C ILE A 66 -3.027 4.727 -3.821 1.00 0.00 C ATOM 1031 O ILE A 66 -2.655 3.682 -4.356 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.409 4.236 -1.454 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -2.864 4.286 0.006 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -1.139 5.051 -1.647 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -1.964 3.516 0.947 1.00 0.00 C ATOM 0 H ILE A 66 -4.812 3.170 -2.857 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.771 5.779 -2.102 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.194 3.199 -1.713 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.908 5.326 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.876 3.887 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.360 4.673 -0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.808 4.969 -2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.338 6.096 -1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.348 3.596 1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.939 2.468 0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.956 3.929 0.906 1.00 0.00 H new ATOM 1047 N PRO A 67 -3.017 5.903 -4.466 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.565 6.042 -5.853 1.00 0.00 C ATOM 1049 C PRO A 67 -1.060 5.840 -5.995 1.00 0.00 C ATOM 1050 O PRO A 67 -0.269 6.708 -5.623 1.00 0.00 O ATOM 1051 CB PRO A 67 -2.947 7.481 -6.209 1.00 0.00 C ATOM 1052 CG PRO A 67 -2.982 8.197 -4.904 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.446 7.189 -3.890 1.00 0.00 C ATOM 0 HA PRO A 67 -3.015 5.294 -6.505 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.219 7.928 -6.886 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.915 7.522 -6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.997 8.585 -4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.660 9.050 -4.945 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.993 7.363 -2.914 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.526 7.227 -3.751 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.670 4.691 -6.536 1.00 0.00 N ATOM 1062 CA LEU A 68 0.741 4.375 -6.728 1.00 0.00 C ATOM 1063 C LEU A 68 1.265 4.987 -8.023 1.00 0.00 C ATOM 1064 O LEU A 68 2.442 5.334 -8.127 1.00 0.00 O ATOM 1065 CB LEU A 68 0.947 2.860 -6.747 1.00 0.00 C ATOM 1066 CG LEU A 68 0.647 2.125 -5.440 1.00 0.00 C ATOM 1067 CD1 LEU A 68 0.673 0.620 -5.656 1.00 0.00 C ATOM 1068 CD2 LEU A 68 1.642 2.528 -4.361 1.00 0.00 C ATOM 0 H LEU A 68 -1.311 3.963 -6.850 1.00 0.00 H new ATOM 0 HA LEU A 68 1.300 4.801 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.318 2.438 -7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.981 2.658 -7.025 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.352 2.407 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.457 0.114 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.079 0.346 -6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.659 0.320 -6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.413 1.995 -3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.652 2.276 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.574 3.602 -4.186 1.00 0.00 H new ATOM 1080 N LEU A 69 0.383 5.120 -9.007 1.00 0.00 N ATOM 1081 CA LEU A 69 0.755 5.693 -10.296 1.00 0.00 C ATOM 1082 C LEU A 69 1.492 7.016 -10.111 1.00 0.00 C ATOM 1083 O LEU A 69 2.154 7.502 -11.028 1.00 0.00 O ATOM 1084 CB LEU A 69 -0.489 5.906 -11.161 1.00 0.00 C ATOM 1085 CG LEU A 69 -0.399 7.021 -12.203 1.00 0.00 C ATOM 1086 CD1 LEU A 69 0.536 6.622 -13.333 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -1.781 7.356 -12.745 1.00 0.00 C ATOM 0 H LEU A 69 -0.595 4.839 -8.937 1.00 0.00 H new ATOM 0 HA LEU A 69 1.423 4.993 -10.798 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.713 4.972 -11.676 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.332 6.118 -10.504 1.00 0.00 H new ATOM 0 HG LEU A 69 0.007 7.911 -11.721 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.587 7.428 -14.065 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.532 6.432 -12.932 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.161 5.719 -13.814 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.698 8.152 -13.485 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.214 6.470 -13.211 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.422 7.686 -11.928 1.00 0.00 H new ATOM 1099 N SER A 70 1.374 7.592 -8.919 1.00 0.00 N ATOM 1100 CA SER A 70 2.027 8.859 -8.614 1.00 0.00 C ATOM 1101 C SER A 70 3.032 8.693 -7.478 1.00 0.00 C ATOM 1102 O SER A 70 3.235 9.604 -6.675 1.00 0.00 O ATOM 1103 CB SER A 70 0.987 9.917 -8.240 1.00 0.00 C ATOM 1104 OG SER A 70 1.609 11.128 -7.849 1.00 0.00 O ATOM 0 H SER A 70 0.832 7.201 -8.149 1.00 0.00 H new ATOM 0 HA SER A 70 2.563 9.186 -9.505 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.329 10.100 -9.089 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.363 9.546 -7.427 1.00 0.00 H new ATOM 0 HG SER A 70 2.390 10.929 -7.291 1.00 0.00 H new ATOM 1110 N PHE A 71 3.657 7.522 -7.416 1.00 0.00 N ATOM 1111 CA PHE A 71 4.639 7.234 -6.377 1.00 0.00 C ATOM 1112 C PHE A 71 5.805 6.426 -6.940 1.00 0.00 C ATOM 1113 O PHE A 71 5.717 5.870 -8.035 1.00 0.00 O ATOM 1114 CB PHE A 71 3.985 6.471 -5.224 1.00 0.00 C ATOM 1115 CG PHE A 71 3.290 7.362 -4.234 1.00 0.00 C ATOM 1116 CD1 PHE A 71 2.093 7.979 -4.559 1.00 0.00 C ATOM 1117 CD2 PHE A 71 3.833 7.581 -2.978 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.451 8.800 -3.651 1.00 0.00 C ATOM 1119 CE2 PHE A 71 3.196 8.400 -2.066 1.00 0.00 C ATOM 1120 CZ PHE A 71 2.003 9.010 -2.402 1.00 0.00 C ATOM 0 H PHE A 71 3.501 6.757 -8.073 1.00 0.00 H new ATOM 0 HA PHE A 71 5.024 8.183 -6.003 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.264 5.761 -5.631 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.747 5.889 -4.705 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.656 7.817 -5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.765 7.106 -2.709 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.519 9.277 -3.918 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.630 8.563 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.503 9.650 -1.690 1.00 0.00 H new ATOM 1130 N ARG A 72 6.896 6.366 -6.184 1.00 0.00 N ATOM 1131 CA ARG A 72 8.080 5.628 -6.607 1.00 0.00 C ATOM 1132 C ARG A 72 8.507 4.627 -5.538 1.00 0.00 C ATOM 1133 O ARG A 72 9.227 4.973 -4.601 1.00 0.00 O ATOM 1134 CB ARG A 72 9.229 6.593 -6.906 1.00 0.00 C ATOM 1135 CG ARG A 72 10.456 5.915 -7.493 1.00 0.00 C ATOM 1136 CD ARG A 72 11.225 6.852 -8.410 1.00 0.00 C ATOM 1137 NE ARG A 72 11.574 8.105 -7.745 1.00 0.00 N ATOM 1138 CZ ARG A 72 12.186 9.115 -8.353 1.00 0.00 C ATOM 1139 NH1 ARG A 72 12.515 9.020 -9.634 1.00 0.00 N ATOM 1140 NH2 ARG A 72 12.470 10.222 -7.680 1.00 0.00 N ATOM 0 H ARG A 72 6.985 6.820 -5.275 1.00 0.00 H new ATOM 0 HA ARG A 72 7.830 5.079 -7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.879 7.357 -7.600 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.512 7.104 -5.986 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.107 5.578 -6.687 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.152 5.028 -8.049 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.134 6.358 -8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.625 7.066 -9.295 1.00 0.00 H new ATOM 0 HE ARG A 72 11.334 8.210 -6.759 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.298 8.170 -10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.985 9.797 -10.099 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.218 10.298 -6.694 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.940 10.997 -8.148 1.00 0.00 H new ATOM 1154 N VAL A 73 8.059 3.384 -5.685 1.00 0.00 N ATOM 1155 CA VAL A 73 8.395 2.332 -4.733 1.00 0.00 C ATOM 1156 C VAL A 73 9.867 1.949 -4.834 1.00 0.00 C ATOM 1157 O VAL A 73 10.371 1.664 -5.920 1.00 0.00 O ATOM 1158 CB VAL A 73 7.532 1.076 -4.956 1.00 0.00 C ATOM 1159 CG1 VAL A 73 7.693 0.105 -3.797 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.072 1.459 -5.143 1.00 0.00 C ATOM 0 H VAL A 73 7.462 3.081 -6.455 1.00 0.00 H new ATOM 0 HA VAL A 73 8.194 2.730 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 73 7.872 0.579 -5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.076 -0.776 -3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.738 -0.194 -3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.381 0.588 -2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.477 0.559 -5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.716 1.980 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.976 2.113 -6.010 1.00 0.00 H new ATOM 1170 N ALA A 74 10.552 1.945 -3.695 1.00 0.00 N ATOM 1171 CA ALA A 74 11.966 1.594 -3.655 1.00 0.00 C ATOM 1172 C ALA A 74 12.364 1.074 -2.278 1.00 0.00 C ATOM 1173 O ALA A 74 11.988 1.646 -1.255 1.00 0.00 O ATOM 1174 CB ALA A 74 12.818 2.796 -4.033 1.00 0.00 C ATOM 0 H ALA A 74 10.150 2.181 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 74 12.138 0.797 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.872 2.520 -3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.561 3.122 -5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.633 3.609 -3.330 1.00 0.00 H new ATOM 1180 N ALA A 75 13.125 -0.016 -2.259 1.00 0.00 N ATOM 1181 CA ALA A 75 13.574 -0.612 -1.008 1.00 0.00 C ATOM 1182 C ALA A 75 14.214 0.433 -0.100 1.00 0.00 C ATOM 1183 O ALA A 75 14.643 1.491 -0.561 1.00 0.00 O ATOM 1184 CB ALA A 75 14.552 -1.744 -1.284 1.00 0.00 C ATOM 0 H ALA A 75 13.443 -0.504 -3.097 1.00 0.00 H new ATOM 0 HA ALA A 75 12.702 -1.017 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.879 -2.180 -0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.062 -2.509 -1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.416 -1.355 -1.823 1.00 0.00 H new ATOM 1190 N VAL A 76 14.274 0.130 1.193 1.00 0.00 N ATOM 1191 CA VAL A 76 14.863 1.043 2.166 1.00 0.00 C ATOM 1192 C VAL A 76 16.381 1.080 2.036 1.00 0.00 C ATOM 1193 O VAL A 76 16.960 0.376 1.209 1.00 0.00 O ATOM 1194 CB VAL A 76 14.491 0.644 3.606 1.00 0.00 C ATOM 1195 CG1 VAL A 76 13.176 1.289 4.016 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.415 -0.870 3.737 1.00 0.00 C ATOM 0 H VAL A 76 13.922 -0.741 1.591 1.00 0.00 H new ATOM 0 HA VAL A 76 14.460 2.034 1.956 1.00 0.00 H new ATOM 0 HB VAL A 76 15.270 1.005 4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.929 0.996 5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.271 2.374 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.384 0.961 3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.151 -1.134 4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.657 -1.257 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.383 -1.306 3.488 1.00 0.00 H new ATOM 1206 N GLN A 77 17.020 1.906 2.859 1.00 0.00 N ATOM 1207 CA GLN A 77 18.472 2.035 2.836 1.00 0.00 C ATOM 1208 C GLN A 77 19.097 1.368 4.057 1.00 0.00 C ATOM 1209 O GLN A 77 18.421 1.053 5.037 1.00 0.00 O ATOM 1210 CB GLN A 77 18.873 3.510 2.783 1.00 0.00 C ATOM 1211 CG GLN A 77 19.123 4.023 1.374 1.00 0.00 C ATOM 1212 CD GLN A 77 19.886 3.031 0.519 1.00 0.00 C ATOM 1213 OE1 GLN A 77 19.298 2.130 -0.082 1.00 0.00 O ATOM 1214 NE2 GLN A 77 21.203 3.190 0.459 1.00 0.00 N ATOM 0 H GLN A 77 16.555 2.495 3.549 1.00 0.00 H new ATOM 0 HA GLN A 77 18.843 1.533 1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.087 4.108 3.244 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.775 3.654 3.378 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.168 4.248 0.899 1.00 0.00 H new ATOM 0 HG3 GLN A 77 19.681 4.958 1.425 1.00 0.00 H new ATOM 0 HE21 GLN A 77 21.649 3.950 0.973 1.00 0.00 H new ATOM 0 HE22 GLN A 77 21.769 2.552 -0.101 1.00 0.00 H new ATOM 1223 N PRO A 78 20.419 1.148 4.000 1.00 0.00 N ATOM 1224 CA PRO A 78 21.164 0.517 5.093 1.00 0.00 C ATOM 1225 C PRO A 78 21.269 1.418 6.319 1.00 0.00 C ATOM 1226 O PRO A 78 21.648 0.969 7.400 1.00 0.00 O ATOM 1227 CB PRO A 78 22.549 0.277 4.486 1.00 0.00 C ATOM 1228 CG PRO A 78 22.674 1.301 3.411 1.00 0.00 C ATOM 1229 CD PRO A 78 21.287 1.498 2.863 1.00 0.00 C ATOM 0 HA PRO A 78 20.676 -0.391 5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 78 23.334 0.390 5.234 1.00 0.00 H new ATOM 0 HB3 PRO A 78 22.635 -0.732 4.083 1.00 0.00 H new ATOM 0 HG2 PRO A 78 23.074 2.235 3.806 1.00 0.00 H new ATOM 0 HG3 PRO A 78 23.358 0.966 2.631 1.00 0.00 H new ATOM 0 HD2 PRO A 78 21.126 2.525 2.536 1.00 0.00 H new ATOM 0 HD3 PRO A 78 21.100 0.856 2.002 1.00 0.00 H new ATOM 1237 N SER A 79 20.929 2.691 6.143 1.00 0.00 N ATOM 1238 CA SER A 79 20.988 3.656 7.235 1.00 0.00 C ATOM 1239 C SER A 79 19.663 4.400 7.374 1.00 0.00 C ATOM 1240 O SER A 79 19.628 5.630 7.383 1.00 0.00 O ATOM 1241 CB SER A 79 22.124 4.653 7.001 1.00 0.00 C ATOM 1242 OG SER A 79 23.386 4.053 7.235 1.00 0.00 O ATOM 0 H SER A 79 20.610 3.078 5.255 1.00 0.00 H new ATOM 0 HA SER A 79 21.177 3.111 8.160 1.00 0.00 H new ATOM 0 HB2 SER A 79 22.079 5.026 5.978 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.999 5.513 7.659 1.00 0.00 H new ATOM 0 HG SER A 79 24.095 4.711 7.077 1.00 0.00 H new ATOM 1248 N ASP A 80 18.576 3.644 7.483 1.00 0.00 N ATOM 1249 CA ASP A 80 17.248 4.230 7.623 1.00 0.00 C ATOM 1250 C ASP A 80 16.623 3.845 8.960 1.00 0.00 C ATOM 1251 O ASP A 80 17.133 2.978 9.668 1.00 0.00 O ATOM 1252 CB ASP A 80 16.345 3.779 6.474 1.00 0.00 C ATOM 1253 CG ASP A 80 16.533 4.619 5.226 1.00 0.00 C ATOM 1254 OD1 ASP A 80 17.221 5.658 5.309 1.00 0.00 O ATOM 1255 OD2 ASP A 80 15.991 4.238 4.167 1.00 0.00 O ATOM 0 H ASP A 80 18.588 2.624 7.477 1.00 0.00 H new ATOM 0 HA ASP A 80 17.350 5.315 7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 80 16.553 2.735 6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 80 15.304 3.833 6.791 1.00 0.00 H new ATOM 1260 N ASN A 81 15.515 4.496 9.299 1.00 0.00 N ATOM 1261 CA ASN A 81 14.821 4.223 10.552 1.00 0.00 C ATOM 1262 C ASN A 81 13.900 3.015 10.411 1.00 0.00 C ATOM 1263 O ASN A 81 12.729 3.067 10.790 1.00 0.00 O ATOM 1264 CB ASN A 81 14.012 5.447 10.988 1.00 0.00 C ATOM 1265 CG ASN A 81 14.777 6.742 10.801 1.00 0.00 C ATOM 1266 OD1 ASN A 81 14.422 7.571 9.963 1.00 0.00 O ATOM 1267 ND2 ASN A 81 15.835 6.923 11.583 1.00 0.00 N ATOM 0 H ASN A 81 15.079 5.216 8.723 1.00 0.00 H new ATOM 0 HA ASN A 81 15.569 4.001 11.313 1.00 0.00 H new ATOM 0 HB2 ASN A 81 13.086 5.490 10.415 1.00 0.00 H new ATOM 0 HB3 ASN A 81 13.734 5.341 12.037 1.00 0.00 H new ATOM 0 HD21 ASN A 81 16.389 7.776 11.502 1.00 0.00 H new ATOM 0 HD22 ASN A 81 16.094 6.209 12.264 1.00 0.00 H new ATOM 1274 N ILE A 82 14.437 1.929 9.865 1.00 0.00 N ATOM 1275 CA ILE A 82 13.664 0.708 9.676 1.00 0.00 C ATOM 1276 C ILE A 82 14.444 -0.515 10.149 1.00 0.00 C ATOM 1277 O ILE A 82 15.187 -1.125 9.380 1.00 0.00 O ATOM 1278 CB ILE A 82 13.271 0.513 8.200 1.00 0.00 C ATOM 1279 CG1 ILE A 82 12.432 1.697 7.713 1.00 0.00 C ATOM 1280 CG2 ILE A 82 12.509 -0.792 8.023 1.00 0.00 C ATOM 1281 CD1 ILE A 82 11.173 1.919 8.522 1.00 0.00 C ATOM 0 H ILE A 82 15.404 1.870 9.546 1.00 0.00 H new ATOM 0 HA ILE A 82 12.758 0.812 10.274 1.00 0.00 H new ATOM 0 HB ILE A 82 14.180 0.464 7.600 1.00 0.00 H new ATOM 0 HG12 ILE A 82 13.040 2.601 7.747 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.160 1.535 6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 82 12.238 -0.916 6.975 1.00 0.00 H new ATOM 0 HG22 ILE A 82 13.137 -1.626 8.336 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.605 -0.771 8.631 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.629 2.774 8.121 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.544 1.030 8.468 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.438 2.113 9.561 1.00 0.00 H new ATOM 1293 N SER A 83 14.268 -0.868 11.418 1.00 0.00 N ATOM 1294 CA SER A 83 14.957 -2.017 11.994 1.00 0.00 C ATOM 1295 C SER A 83 14.900 -3.214 11.049 1.00 0.00 C ATOM 1296 O SER A 83 15.870 -3.960 10.916 1.00 0.00 O ATOM 1297 CB SER A 83 14.336 -2.388 13.342 1.00 0.00 C ATOM 1298 OG SER A 83 15.159 -3.299 14.049 1.00 0.00 O ATOM 0 H SER A 83 13.654 -0.375 12.067 1.00 0.00 H new ATOM 0 HA SER A 83 16.001 -1.744 12.146 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.189 -1.488 13.938 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.352 -2.829 13.184 1.00 0.00 H new ATOM 0 HG SER A 83 14.741 -3.519 14.908 1.00 0.00 H new ATOM 1304 N ARG A 84 13.756 -3.390 10.396 1.00 0.00 N ATOM 1305 CA ARG A 84 13.571 -4.497 9.464 1.00 0.00 C ATOM 1306 C ARG A 84 14.575 -4.416 8.318 1.00 0.00 C ATOM 1307 O ARG A 84 15.295 -3.427 8.177 1.00 0.00 O ATOM 1308 CB ARG A 84 12.146 -4.491 8.909 1.00 0.00 C ATOM 1309 CG ARG A 84 11.097 -4.926 9.920 1.00 0.00 C ATOM 1310 CD ARG A 84 9.748 -4.283 9.635 1.00 0.00 C ATOM 1311 NE ARG A 84 8.662 -4.953 10.344 1.00 0.00 N ATOM 1312 CZ ARG A 84 8.443 -4.820 11.648 1.00 0.00 C ATOM 1313 NH1 ARG A 84 9.232 -4.046 12.380 1.00 0.00 N ATOM 1314 NH2 ARG A 84 7.434 -5.462 12.221 1.00 0.00 N ATOM 0 H ARG A 84 12.944 -2.781 10.495 1.00 0.00 H new ATOM 0 HA ARG A 84 13.739 -5.428 10.006 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.906 -3.487 8.558 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.100 -5.151 8.043 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.996 -6.011 9.897 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.425 -4.657 10.924 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.778 -3.233 9.927 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.552 -4.311 8.563 1.00 0.00 H new ATOM 0 HE ARG A 84 8.037 -5.556 9.809 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.009 -3.551 11.943 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.062 -3.945 13.381 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.825 -6.059 11.661 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.267 -5.359 13.222 1.00 0.00 H new ATOM 1328 N LYS A 85 14.618 -5.463 7.501 1.00 0.00 N ATOM 1329 CA LYS A 85 15.532 -5.512 6.367 1.00 0.00 C ATOM 1330 C LYS A 85 14.771 -5.402 5.049 1.00 0.00 C ATOM 1331 O LYS A 85 14.901 -4.413 4.327 1.00 0.00 O ATOM 1332 CB LYS A 85 16.341 -6.811 6.393 1.00 0.00 C ATOM 1333 CG LYS A 85 17.591 -6.732 7.253 1.00 0.00 C ATOM 1334 CD LYS A 85 18.604 -7.796 6.864 1.00 0.00 C ATOM 1335 CE LYS A 85 19.786 -7.815 7.820 1.00 0.00 C ATOM 1336 NZ LYS A 85 20.543 -6.533 7.793 1.00 0.00 N ATOM 0 H LYS A 85 14.030 -6.290 7.604 1.00 0.00 H new ATOM 0 HA LYS A 85 16.213 -4.665 6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.707 -7.617 6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.627 -7.072 5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.042 -5.745 7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.320 -6.852 8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.123 -8.774 6.859 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.958 -7.610 5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.431 -8.005 8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 85 20.453 -8.636 7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.397 -6.622 8.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.817 -6.312 6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.945 -5.769 8.166 1.00 0.00 H new ATOM 1350 N HIS A 86 13.976 -6.422 4.743 1.00 0.00 N ATOM 1351 CA HIS A 86 13.192 -6.438 3.513 1.00 0.00 C ATOM 1352 C HIS A 86 12.006 -5.483 3.612 1.00 0.00 C ATOM 1353 O HIS A 86 10.876 -5.903 3.860 1.00 0.00 O ATOM 1354 CB HIS A 86 12.698 -7.854 3.216 1.00 0.00 C ATOM 1355 CG HIS A 86 13.613 -8.926 3.723 1.00 0.00 C ATOM 1356 ND1 HIS A 86 14.879 -9.136 3.218 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.440 -9.849 4.698 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.444 -10.144 3.859 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.592 -10.594 4.762 1.00 0.00 N ATOM 0 H HIS A 86 13.858 -7.248 5.329 1.00 0.00 H new ATOM 0 HA HIS A 86 13.835 -6.107 2.697 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.713 -7.987 3.663 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.578 -7.970 2.139 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.560 -9.976 5.311 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.434 -10.534 3.676 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.762 -11.369 5.403 1.00 0.00 H new ATOM 1368 N THR A 87 12.272 -4.195 3.418 1.00 0.00 N ATOM 1369 CA THR A 87 11.228 -3.180 3.487 1.00 0.00 C ATOM 1370 C THR A 87 11.274 -2.259 2.273 1.00 0.00 C ATOM 1371 O THR A 87 12.328 -2.070 1.665 1.00 0.00 O ATOM 1372 CB THR A 87 11.354 -2.331 4.766 1.00 0.00 C ATOM 1373 OG1 THR A 87 10.997 -3.113 5.911 1.00 0.00 O ATOM 1374 CG2 THR A 87 10.463 -1.100 4.689 1.00 0.00 C ATOM 0 H THR A 87 13.202 -3.830 3.212 1.00 0.00 H new ATOM 0 HA THR A 87 10.275 -3.708 3.502 1.00 0.00 H new ATOM 0 HB THR A 87 12.390 -2.005 4.858 1.00 0.00 H new ATOM 0 HG1 THR A 87 10.771 -2.518 6.656 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.569 -0.516 5.603 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.757 -0.491 3.834 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.424 -1.409 4.575 1.00 0.00 H new ATOM 1382 N PHE A 88 10.126 -1.688 1.926 1.00 0.00 N ATOM 1383 CA PHE A 88 10.036 -0.786 0.783 1.00 0.00 C ATOM 1384 C PHE A 88 9.032 0.332 1.050 1.00 0.00 C ATOM 1385 O PHE A 88 7.908 0.081 1.485 1.00 0.00 O ATOM 1386 CB PHE A 88 9.633 -1.560 -0.473 1.00 0.00 C ATOM 1387 CG PHE A 88 8.318 -2.274 -0.341 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.194 -3.377 0.489 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.206 -1.843 -1.047 1.00 0.00 C ATOM 1390 CE1 PHE A 88 6.985 -4.036 0.611 1.00 0.00 C ATOM 1391 CE2 PHE A 88 5.995 -2.498 -0.928 1.00 0.00 C ATOM 1392 CZ PHE A 88 5.884 -3.596 -0.097 1.00 0.00 C ATOM 0 H PHE A 88 9.245 -1.833 2.419 1.00 0.00 H new ATOM 0 HA PHE A 88 11.018 -0.339 0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.579 -0.869 -1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.410 -2.287 -0.707 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.051 -3.725 1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.287 -0.985 -1.698 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.901 -4.895 1.260 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.136 -2.152 -1.484 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.938 -4.109 -0.001 1.00 0.00 H new ATOM 1402 N LYS A 89 9.446 1.566 0.787 1.00 0.00 N ATOM 1403 CA LYS A 89 8.585 2.724 0.997 1.00 0.00 C ATOM 1404 C LYS A 89 8.410 3.514 -0.296 1.00 0.00 C ATOM 1405 O LYS A 89 9.370 3.735 -1.034 1.00 0.00 O ATOM 1406 CB LYS A 89 9.169 3.629 2.085 1.00 0.00 C ATOM 1407 CG LYS A 89 10.251 4.567 1.579 1.00 0.00 C ATOM 1408 CD LYS A 89 11.515 3.812 1.206 1.00 0.00 C ATOM 1409 CE LYS A 89 12.724 4.734 1.168 1.00 0.00 C ATOM 1410 NZ LYS A 89 13.216 5.061 2.536 1.00 0.00 N ATOM 0 H LYS A 89 10.374 1.791 0.428 1.00 0.00 H new ATOM 0 HA LYS A 89 7.607 2.365 1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.365 4.219 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.581 3.008 2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.883 5.113 0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.481 5.306 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.688 3.012 1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.385 3.341 0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.524 4.261 0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.462 5.655 0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.587 6.033 2.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.432 4.981 3.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.972 4.398 2.801 1.00 0.00 H new ATOM 1424 N ALA A 90 7.179 3.937 -0.563 1.00 0.00 N ATOM 1425 CA ALA A 90 6.879 4.705 -1.765 1.00 0.00 C ATOM 1426 C ALA A 90 6.769 6.193 -1.453 1.00 0.00 C ATOM 1427 O ALA A 90 5.931 6.608 -0.653 1.00 0.00 O ATOM 1428 CB ALA A 90 5.594 4.202 -2.406 1.00 0.00 C ATOM 0 H ALA A 90 6.373 3.761 0.037 1.00 0.00 H new ATOM 0 HA ALA A 90 7.701 4.568 -2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.382 4.785 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.708 3.152 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.770 4.309 -1.701 1.00 0.00 H new ATOM 1434 N GLU A 91 7.622 6.991 -2.088 1.00 0.00 N ATOM 1435 CA GLU A 91 7.620 8.434 -1.876 1.00 0.00 C ATOM 1436 C GLU A 91 7.033 9.161 -3.082 1.00 0.00 C ATOM 1437 O GLU A 91 7.306 8.806 -4.229 1.00 0.00 O ATOM 1438 CB GLU A 91 9.041 8.934 -1.607 1.00 0.00 C ATOM 1439 CG GLU A 91 9.755 9.434 -2.851 1.00 0.00 C ATOM 1440 CD GLU A 91 10.082 8.318 -3.825 1.00 0.00 C ATOM 1441 OE1 GLU A 91 9.769 7.150 -3.516 1.00 0.00 O ATOM 1442 OE2 GLU A 91 10.652 8.615 -4.896 1.00 0.00 O ATOM 0 H GLU A 91 8.323 6.663 -2.753 1.00 0.00 H new ATOM 0 HA GLU A 91 6.997 8.647 -1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.001 9.739 -0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.624 8.126 -1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.131 10.175 -3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.676 9.938 -2.559 1.00 0.00 H new ATOM 1449 N HIS A 92 6.223 10.181 -2.814 1.00 0.00 N ATOM 1450 CA HIS A 92 5.596 10.959 -3.876 1.00 0.00 C ATOM 1451 C HIS A 92 5.743 12.455 -3.614 1.00 0.00 C ATOM 1452 O HIS A 92 4.806 13.109 -3.159 1.00 0.00 O ATOM 1453 CB HIS A 92 4.116 10.594 -4.000 1.00 0.00 C ATOM 1454 CG HIS A 92 3.322 11.577 -4.803 1.00 0.00 C ATOM 1455 ND1 HIS A 92 3.525 12.075 -6.045 1.00 0.00 N flip ATOM 1456 CD2 HIS A 92 2.164 12.166 -4.340 1.00 0.00 C flip ATOM 1457 CE1 HIS A 92 2.497 12.946 -6.308 1.00 0.00 C flip ATOM 1458 NE2 HIS A 92 1.689 12.983 -5.263 1.00 0.00 N flip ATOM 0 H HIS A 92 5.986 10.488 -1.870 1.00 0.00 H new ATOM 0 HA HIS A 92 6.101 10.721 -4.812 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.030 9.609 -4.459 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.684 10.519 -3.002 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.716 11.987 -3.374 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.369 13.509 -7.221 1.00 0.00 H new ATOM 0 HE2 HIS A 92 0.843 13.547 -5.183 1.00 0.00 H new ATOM 1467 N ALA A 93 6.925 12.988 -3.903 1.00 0.00 N ATOM 1468 CA ALA A 93 7.194 14.406 -3.699 1.00 0.00 C ATOM 1469 C ALA A 93 5.953 15.246 -3.982 1.00 0.00 C ATOM 1470 O ALA A 93 5.699 15.630 -5.122 1.00 0.00 O ATOM 1471 CB ALA A 93 8.351 14.856 -4.579 1.00 0.00 C ATOM 0 H ALA A 93 7.712 12.459 -4.279 1.00 0.00 H new ATOM 0 HA ALA A 93 7.469 14.552 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.541 15.917 -4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.244 14.285 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.098 14.689 -5.626 1.00 0.00 H new ATOM 1477 N GLY A 94 5.183 15.527 -2.935 1.00 0.00 N ATOM 1478 CA GLY A 94 3.978 16.320 -3.093 1.00 0.00 C ATOM 1479 C GLY A 94 2.925 15.987 -2.054 1.00 0.00 C ATOM 1480 O GLY A 94 2.091 16.826 -1.713 1.00 0.00 O ATOM 0 H GLY A 94 5.372 15.220 -1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 94 4.231 17.378 -3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 94 3.566 16.156 -4.089 1.00 0.00 H new ATOM 1484 N VAL A 95 2.961 14.757 -1.551 1.00 0.00 N ATOM 1485 CA VAL A 95 2.002 14.314 -0.545 1.00 0.00 C ATOM 1486 C VAL A 95 2.712 13.720 0.667 1.00 0.00 C ATOM 1487 O VAL A 95 2.794 14.351 1.721 1.00 0.00 O ATOM 1488 CB VAL A 95 1.029 13.268 -1.120 1.00 0.00 C ATOM 1489 CG1 VAL A 95 0.109 12.739 -0.030 1.00 0.00 C ATOM 1490 CG2 VAL A 95 0.224 13.862 -2.266 1.00 0.00 C ATOM 0 H VAL A 95 3.644 14.050 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 95 1.437 15.194 -0.236 1.00 0.00 H new ATOM 0 HB VAL A 95 1.610 12.432 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.572 12.001 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.705 12.274 0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.467 13.563 0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.458 13.109 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.348 14.716 -1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.901 14.187 -3.056 1.00 0.00 H new ATOM 1500 N ARG A 96 3.223 12.504 0.509 1.00 0.00 N ATOM 1501 CA ARG A 96 3.925 11.824 1.590 1.00 0.00 C ATOM 1502 C ARG A 96 4.637 10.576 1.077 1.00 0.00 C ATOM 1503 O ARG A 96 4.638 10.297 -0.123 1.00 0.00 O ATOM 1504 CB ARG A 96 2.947 11.444 2.703 1.00 0.00 C ATOM 1505 CG ARG A 96 2.242 10.118 2.469 1.00 0.00 C ATOM 1506 CD ARG A 96 1.217 9.832 3.555 1.00 0.00 C ATOM 1507 NE ARG A 96 1.825 9.782 4.882 1.00 0.00 N ATOM 1508 CZ ARG A 96 1.150 9.491 5.989 1.00 0.00 C ATOM 1509 NH1 ARG A 96 -0.147 9.225 5.928 1.00 0.00 N ATOM 1510 NH2 ARG A 96 1.774 9.466 7.160 1.00 0.00 N ATOM 0 H ARG A 96 3.164 11.969 -0.358 1.00 0.00 H new ATOM 0 HA ARG A 96 4.672 12.509 1.990 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.487 11.397 3.649 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.199 12.231 2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.749 10.134 1.497 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.977 9.314 2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.446 10.603 3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.723 8.883 3.347 1.00 0.00 H new ATOM 0 HE ARG A 96 2.822 9.981 4.963 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.630 9.243 5.030 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.662 9.002 6.779 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.772 9.670 7.210 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.256 9.243 8.010 1.00 0.00 H new ATOM 1524 N THR A 97 5.243 9.827 1.993 1.00 0.00 N ATOM 1525 CA THR A 97 5.960 8.610 1.633 1.00 0.00 C ATOM 1526 C THR A 97 5.450 7.415 2.431 1.00 0.00 C ATOM 1527 O THR A 97 5.681 7.317 3.637 1.00 0.00 O ATOM 1528 CB THR A 97 7.475 8.760 1.867 1.00 0.00 C ATOM 1529 OG1 THR A 97 7.972 9.891 1.143 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.217 7.506 1.431 1.00 0.00 C ATOM 0 H THR A 97 5.251 10.042 2.990 1.00 0.00 H new ATOM 0 HA THR A 97 5.779 8.439 0.572 1.00 0.00 H new ATOM 0 HB THR A 97 7.643 8.909 2.934 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.935 9.981 1.298 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.285 7.636 1.606 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.857 6.652 2.004 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.042 7.330 0.370 1.00 0.00 H new ATOM 1538 N TYR A 98 4.756 6.509 1.752 1.00 0.00 N ATOM 1539 CA TYR A 98 4.212 5.321 2.399 1.00 0.00 C ATOM 1540 C TYR A 98 5.296 4.266 2.601 1.00 0.00 C ATOM 1541 O TYR A 98 6.257 4.193 1.836 1.00 0.00 O ATOM 1542 CB TYR A 98 3.068 4.740 1.566 1.00 0.00 C ATOM 1543 CG TYR A 98 1.774 5.512 1.694 1.00 0.00 C ATOM 1544 CD1 TYR A 98 1.515 6.611 0.884 1.00 0.00 C ATOM 1545 CD2 TYR A 98 0.811 5.143 2.625 1.00 0.00 C ATOM 1546 CE1 TYR A 98 0.335 7.319 0.997 1.00 0.00 C ATOM 1547 CE2 TYR A 98 -0.373 5.845 2.744 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.606 6.932 1.928 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.784 7.635 2.045 1.00 0.00 O ATOM 0 H TYR A 98 4.557 6.574 0.754 1.00 0.00 H new ATOM 0 HA TYR A 98 3.829 5.614 3.376 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.367 4.719 0.518 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.897 3.707 1.869 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.249 6.917 0.153 1.00 0.00 H new ATOM 0 HD2 TYR A 98 0.991 4.293 3.267 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.150 8.171 0.360 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.112 5.544 3.472 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.337 7.232 2.746 1.00 0.00 H new ATOM 1559 N PHE A 99 5.132 3.450 3.636 1.00 0.00 N ATOM 1560 CA PHE A 99 6.095 2.398 3.941 1.00 0.00 C ATOM 1561 C PHE A 99 5.415 1.032 3.979 1.00 0.00 C ATOM 1562 O PHE A 99 4.309 0.891 4.501 1.00 0.00 O ATOM 1563 CB PHE A 99 6.780 2.676 5.280 1.00 0.00 C ATOM 1564 CG PHE A 99 8.031 3.497 5.154 1.00 0.00 C ATOM 1565 CD1 PHE A 99 7.961 4.873 5.004 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.278 2.893 5.185 1.00 0.00 C ATOM 1567 CE1 PHE A 99 9.111 5.631 4.888 1.00 0.00 C ATOM 1568 CE2 PHE A 99 10.431 3.646 5.070 1.00 0.00 C ATOM 1569 CZ PHE A 99 10.348 5.017 4.920 1.00 0.00 C ATOM 0 H PHE A 99 4.341 3.497 4.278 1.00 0.00 H new ATOM 0 HA PHE A 99 6.846 2.389 3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.080 3.193 5.937 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.024 1.727 5.758 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.997 5.359 4.977 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.349 1.822 5.300 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.042 6.703 4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.397 3.163 5.097 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.248 5.607 4.828 1.00 0.00 H new ATOM 1579 N PHE A 100 6.085 0.029 3.421 1.00 0.00 N ATOM 1580 CA PHE A 100 5.546 -1.326 3.389 1.00 0.00 C ATOM 1581 C PHE A 100 6.645 -2.354 3.638 1.00 0.00 C ATOM 1582 O PHE A 100 7.661 -2.373 2.944 1.00 0.00 O ATOM 1583 CB PHE A 100 4.873 -1.598 2.042 1.00 0.00 C ATOM 1584 CG PHE A 100 3.902 -0.529 1.630 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.805 -0.228 2.421 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.086 0.175 0.450 1.00 0.00 C ATOM 1587 CE1 PHE A 100 1.910 0.756 2.045 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.194 1.160 0.069 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.104 1.450 0.867 1.00 0.00 C ATOM 0 H PHE A 100 7.002 0.129 2.985 1.00 0.00 H new ATOM 0 HA PHE A 100 4.804 -1.414 4.182 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.641 -1.696 1.274 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.350 -2.553 2.093 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.647 -0.769 3.342 1.00 0.00 H new ATOM 0 HD2 PHE A 100 4.935 -0.049 -0.178 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.060 0.982 2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.349 1.703 -0.852 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.405 2.218 0.570 1.00 0.00 H new ATOM 1599 N SER A 101 6.433 -3.208 4.635 1.00 0.00 N ATOM 1600 CA SER A 101 7.407 -4.237 4.980 1.00 0.00 C ATOM 1601 C SER A 101 6.884 -5.624 4.617 1.00 0.00 C ATOM 1602 O SER A 101 5.683 -5.883 4.683 1.00 0.00 O ATOM 1603 CB SER A 101 7.736 -4.178 6.473 1.00 0.00 C ATOM 1604 OG SER A 101 8.382 -5.365 6.900 1.00 0.00 O ATOM 0 H SER A 101 5.596 -3.207 5.218 1.00 0.00 H new ATOM 0 HA SER A 101 8.315 -4.049 4.408 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.377 -3.319 6.674 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.820 -4.033 7.045 1.00 0.00 H new ATOM 0 HG SER A 101 8.044 -5.622 7.783 1.00 0.00 H new ATOM 1610 N ALA A 102 7.795 -6.511 4.232 1.00 0.00 N ATOM 1611 CA ALA A 102 7.427 -7.872 3.860 1.00 0.00 C ATOM 1612 C ALA A 102 8.064 -8.889 4.801 1.00 0.00 C ATOM 1613 O ALA A 102 9.135 -8.647 5.358 1.00 0.00 O ATOM 1614 CB ALA A 102 7.834 -8.154 2.422 1.00 0.00 C ATOM 0 H ALA A 102 8.793 -6.312 4.169 1.00 0.00 H new ATOM 0 HA ALA A 102 6.344 -7.966 3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.553 -9.174 2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.328 -7.454 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.913 -8.037 2.320 1.00 0.00 H new ATOM 1620 N GLU A 103 7.399 -10.027 4.973 1.00 0.00 N ATOM 1621 CA GLU A 103 7.901 -11.080 5.848 1.00 0.00 C ATOM 1622 C GLU A 103 9.186 -11.684 5.290 1.00 0.00 C ATOM 1623 O GLU A 103 10.128 -11.960 6.033 1.00 0.00 O ATOM 1624 CB GLU A 103 6.845 -12.173 6.025 1.00 0.00 C ATOM 1625 CG GLU A 103 5.595 -11.701 6.747 1.00 0.00 C ATOM 1626 CD GLU A 103 4.721 -12.849 7.212 1.00 0.00 C ATOM 1627 OE1 GLU A 103 5.252 -13.776 7.859 1.00 0.00 O ATOM 1628 OE2 GLU A 103 3.504 -12.821 6.929 1.00 0.00 O ATOM 0 H GLU A 103 6.512 -10.243 4.518 1.00 0.00 H new ATOM 0 HA GLU A 103 8.120 -10.637 6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.564 -12.557 5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.283 -13.003 6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.883 -11.097 7.607 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.019 -11.056 6.084 1.00 0.00 H new ATOM 1635 N SER A 104 9.216 -11.887 3.977 1.00 0.00 N ATOM 1636 CA SER A 104 10.384 -12.463 3.319 1.00 0.00 C ATOM 1637 C SER A 104 10.870 -11.561 2.189 1.00 0.00 C ATOM 1638 O SER A 104 10.132 -10.727 1.665 1.00 0.00 O ATOM 1639 CB SER A 104 10.053 -13.853 2.772 1.00 0.00 C ATOM 1640 OG SER A 104 10.218 -14.846 3.769 1.00 0.00 O ATOM 0 H SER A 104 8.446 -11.661 3.348 1.00 0.00 H new ATOM 0 HA SER A 104 11.181 -12.552 4.058 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.027 -13.868 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.698 -14.076 1.922 1.00 0.00 H new ATOM 0 HG SER A 104 9.999 -15.725 3.395 1.00 0.00 H new ATOM 1646 N PRO A 105 12.143 -11.732 1.803 1.00 0.00 N ATOM 1647 CA PRO A 105 12.758 -10.943 0.731 1.00 0.00 C ATOM 1648 C PRO A 105 12.192 -11.292 -0.642 1.00 0.00 C ATOM 1649 O PRO A 105 12.287 -10.501 -1.580 1.00 0.00 O ATOM 1650 CB PRO A 105 14.238 -11.326 0.812 1.00 0.00 C ATOM 1651 CG PRO A 105 14.245 -12.681 1.432 1.00 0.00 C ATOM 1652 CD PRO A 105 13.081 -12.708 2.384 1.00 0.00 C ATOM 0 HA PRO A 105 12.573 -9.876 0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.698 -11.340 -0.176 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.799 -10.612 1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.147 -13.458 0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.182 -12.865 1.957 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.638 -13.702 2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.381 -12.426 3.393 1.00 0.00 H new ATOM 1660 N GLU A 106 11.605 -12.479 -0.751 1.00 0.00 N ATOM 1661 CA GLU A 106 11.025 -12.931 -2.010 1.00 0.00 C ATOM 1662 C GLU A 106 9.753 -12.152 -2.334 1.00 0.00 C ATOM 1663 O GLU A 106 9.469 -11.863 -3.495 1.00 0.00 O ATOM 1664 CB GLU A 106 10.717 -14.429 -1.947 1.00 0.00 C ATOM 1665 CG GLU A 106 11.896 -15.309 -2.327 1.00 0.00 C ATOM 1666 CD GLU A 106 11.493 -16.750 -2.573 1.00 0.00 C ATOM 1667 OE1 GLU A 106 10.957 -17.383 -1.639 1.00 0.00 O ATOM 1668 OE2 GLU A 106 11.714 -17.244 -3.698 1.00 0.00 O ATOM 0 H GLU A 106 11.518 -13.145 0.017 1.00 0.00 H new ATOM 0 HA GLU A 106 11.753 -12.750 -2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.395 -14.683 -0.937 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.882 -14.648 -2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.368 -14.910 -3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.641 -15.275 -1.532 1.00 0.00 H new ATOM 1675 N GLU A 107 8.991 -11.817 -1.297 1.00 0.00 N ATOM 1676 CA GLU A 107 7.749 -11.074 -1.471 1.00 0.00 C ATOM 1677 C GLU A 107 8.030 -9.592 -1.707 1.00 0.00 C ATOM 1678 O GLU A 107 7.381 -8.952 -2.532 1.00 0.00 O ATOM 1679 CB GLU A 107 6.850 -11.245 -0.244 1.00 0.00 C ATOM 1680 CG GLU A 107 6.049 -12.536 -0.252 1.00 0.00 C ATOM 1681 CD GLU A 107 4.868 -12.484 -1.201 1.00 0.00 C ATOM 1682 OE1 GLU A 107 3.835 -11.888 -0.830 1.00 0.00 O ATOM 1683 OE2 GLU A 107 4.975 -13.039 -2.314 1.00 0.00 O ATOM 0 H GLU A 107 9.212 -12.048 -0.329 1.00 0.00 H new ATOM 0 HA GLU A 107 7.236 -11.473 -2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.466 -11.215 0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.163 -10.401 -0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.701 -13.362 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.691 -12.743 0.756 1.00 0.00 H new ATOM 1690 N GLN A 108 9.001 -9.057 -0.974 1.00 0.00 N ATOM 1691 CA GLN A 108 9.367 -7.651 -1.102 1.00 0.00 C ATOM 1692 C GLN A 108 9.765 -7.321 -2.537 1.00 0.00 C ATOM 1693 O GLN A 108 9.153 -6.468 -3.179 1.00 0.00 O ATOM 1694 CB GLN A 108 10.517 -7.313 -0.152 1.00 0.00 C ATOM 1695 CG GLN A 108 11.058 -5.903 -0.328 1.00 0.00 C ATOM 1696 CD GLN A 108 12.518 -5.785 0.063 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.226 -6.786 0.173 1.00 0.00 O ATOM 1698 NE2 GLN A 108 12.976 -4.557 0.276 1.00 0.00 N ATOM 0 H GLN A 108 9.548 -9.575 -0.286 1.00 0.00 H new ATOM 0 HA GLN A 108 8.497 -7.050 -0.837 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.176 -7.437 0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.327 -8.026 -0.307 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.939 -5.599 -1.368 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.467 -5.213 0.275 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.353 -3.756 0.173 1.00 0.00 H new ATOM 0 HE22 GLN A 108 13.950 -4.415 0.542 1.00 0.00 H new ATOM 1707 N GLU A 109 10.793 -8.002 -3.033 1.00 0.00 N ATOM 1708 CA GLU A 109 11.272 -7.779 -4.392 1.00 0.00 C ATOM 1709 C GLU A 109 10.141 -7.949 -5.402 1.00 0.00 C ATOM 1710 O GLU A 109 9.950 -7.111 -6.283 1.00 0.00 O ATOM 1711 CB GLU A 109 12.413 -8.745 -4.720 1.00 0.00 C ATOM 1712 CG GLU A 109 11.941 -10.080 -5.271 1.00 0.00 C ATOM 1713 CD GLU A 109 13.088 -10.965 -5.717 1.00 0.00 C ATOM 1714 OE1 GLU A 109 14.011 -10.449 -6.381 1.00 0.00 O ATOM 1715 OE2 GLU A 109 13.062 -12.173 -5.402 1.00 0.00 O ATOM 0 H GLU A 109 11.310 -8.712 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 109 11.642 -6.756 -4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.077 -8.276 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.000 -8.921 -3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.362 -10.600 -4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.273 -9.905 -6.114 1.00 0.00 H new ATOM 1722 N ALA A 110 9.394 -9.040 -5.268 1.00 0.00 N ATOM 1723 CA ALA A 110 8.282 -9.320 -6.167 1.00 0.00 C ATOM 1724 C ALA A 110 7.257 -8.191 -6.140 1.00 0.00 C ATOM 1725 O ALA A 110 6.780 -7.749 -7.185 1.00 0.00 O ATOM 1726 CB ALA A 110 7.624 -10.642 -5.797 1.00 0.00 C ATOM 0 H ALA A 110 9.539 -9.745 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 110 8.676 -9.394 -7.181 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.795 -10.839 -6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.355 -11.447 -5.874 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.250 -10.589 -4.775 1.00 0.00 H new ATOM 1732 N TRP A 111 6.922 -7.731 -4.940 1.00 0.00 N ATOM 1733 CA TRP A 111 5.952 -6.654 -4.778 1.00 0.00 C ATOM 1734 C TRP A 111 6.402 -5.400 -5.520 1.00 0.00 C ATOM 1735 O TRP A 111 5.598 -4.727 -6.165 1.00 0.00 O ATOM 1736 CB TRP A 111 5.751 -6.340 -3.295 1.00 0.00 C ATOM 1737 CG TRP A 111 4.656 -7.143 -2.661 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.789 -8.063 -1.661 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.262 -7.098 -2.985 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.561 -8.593 -1.344 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.608 -8.017 -2.142 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.503 -6.370 -3.905 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.233 -8.226 -2.193 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.138 -6.578 -3.955 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.514 -7.499 -3.103 1.00 0.00 C ATOM 0 H TRP A 111 7.307 -8.087 -4.065 1.00 0.00 H new ATOM 0 HA TRP A 111 5.005 -6.985 -5.204 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.683 -6.526 -2.762 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.526 -5.279 -3.183 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.722 -8.334 -1.189 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.387 -9.301 -0.630 1.00 0.00 H new ATOM 0 HE3 TRP A 111 2.975 -5.657 -4.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.751 -8.936 -1.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.542 -6.021 -4.663 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.555 -7.638 -3.166 1.00 0.00 H new ATOM 1756 N ILE A 112 7.691 -5.092 -5.425 1.00 0.00 N ATOM 1757 CA ILE A 112 8.247 -3.920 -6.088 1.00 0.00 C ATOM 1758 C ILE A 112 8.095 -4.021 -7.602 1.00 0.00 C ATOM 1759 O ILE A 112 7.687 -3.063 -8.259 1.00 0.00 O ATOM 1760 CB ILE A 112 9.737 -3.732 -5.745 1.00 0.00 C ATOM 1761 CG1 ILE A 112 9.902 -3.380 -4.265 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.351 -2.652 -6.624 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.333 -3.455 -3.782 1.00 0.00 C ATOM 0 H ILE A 112 8.370 -5.638 -4.895 1.00 0.00 H new ATOM 0 HA ILE A 112 7.687 -3.058 -5.725 1.00 0.00 H new ATOM 0 HB ILE A 112 10.260 -4.669 -5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.522 -2.373 -4.095 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.290 -4.056 -3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.404 -2.531 -6.370 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.262 -2.941 -7.671 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.828 -1.710 -6.462 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.374 -3.193 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.711 -4.468 -3.920 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.947 -2.758 -4.353 1.00 0.00 H new ATOM 1775 N GLN A 113 8.422 -5.188 -8.148 1.00 0.00 N ATOM 1776 CA GLN A 113 8.320 -5.414 -9.585 1.00 0.00 C ATOM 1777 C GLN A 113 6.977 -4.926 -10.118 1.00 0.00 C ATOM 1778 O GLN A 113 6.911 -4.286 -11.167 1.00 0.00 O ATOM 1779 CB GLN A 113 8.500 -6.899 -9.903 1.00 0.00 C ATOM 1780 CG GLN A 113 9.816 -7.473 -9.404 1.00 0.00 C ATOM 1781 CD GLN A 113 10.303 -8.636 -10.246 1.00 0.00 C ATOM 1782 OE1 GLN A 113 10.349 -9.776 -9.783 1.00 0.00 O ATOM 1783 NE2 GLN A 113 10.669 -8.354 -11.491 1.00 0.00 N ATOM 0 H GLN A 113 8.760 -5.991 -7.617 1.00 0.00 H new ATOM 0 HA GLN A 113 9.112 -4.847 -10.074 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.677 -7.459 -9.459 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.437 -7.041 -10.982 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.573 -6.689 -9.403 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.696 -7.802 -8.372 1.00 0.00 H new ATOM 0 HE21 GLN A 113 10.615 -7.395 -11.834 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.004 -9.097 -12.105 1.00 0.00 H new ATOM 1792 N ALA A 114 5.910 -5.235 -9.390 1.00 0.00 N ATOM 1793 CA ALA A 114 4.568 -4.827 -9.790 1.00 0.00 C ATOM 1794 C ALA A 114 4.286 -3.387 -9.374 1.00 0.00 C ATOM 1795 O ALA A 114 3.897 -2.559 -10.197 1.00 0.00 O ATOM 1796 CB ALA A 114 3.531 -5.764 -9.190 1.00 0.00 C ATOM 0 H ALA A 114 5.948 -5.766 -8.520 1.00 0.00 H new ATOM 0 HA ALA A 114 4.506 -4.883 -10.877 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.534 -5.448 -9.497 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.713 -6.780 -9.540 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.602 -5.737 -8.103 1.00 0.00 H new ATOM 1802 N MET A 115 4.484 -3.096 -8.093 1.00 0.00 N ATOM 1803 CA MET A 115 4.251 -1.755 -7.569 1.00 0.00 C ATOM 1804 C MET A 115 5.131 -0.733 -8.280 1.00 0.00 C ATOM 1805 O MET A 115 4.634 0.163 -8.961 1.00 0.00 O ATOM 1806 CB MET A 115 4.520 -1.718 -6.064 1.00 0.00 C ATOM 1807 CG MET A 115 3.337 -2.169 -5.223 1.00 0.00 C ATOM 1808 SD MET A 115 3.382 -1.506 -3.547 1.00 0.00 S ATOM 1809 CE MET A 115 3.000 -2.972 -2.592 1.00 0.00 C ATOM 0 H MET A 115 4.805 -3.770 -7.398 1.00 0.00 H new ATOM 0 HA MET A 115 3.207 -1.498 -7.750 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.377 -2.354 -5.841 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.793 -0.702 -5.777 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.412 -1.857 -5.708 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.322 -3.258 -5.178 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.991 -2.723 -1.531 1.00 0.00 H new ATOM 0 HE2 MET A 115 2.021 -3.352 -2.884 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.756 -3.735 -2.779 1.00 0.00 H new ATOM 1819 N GLY A 116 6.444 -0.874 -8.118 1.00 0.00 N ATOM 1820 CA GLY A 116 7.372 0.045 -8.750 1.00 0.00 C ATOM 1821 C GLY A 116 7.014 0.328 -10.196 1.00 0.00 C ATOM 1822 O GLY A 116 6.977 1.483 -10.618 1.00 0.00 O ATOM 0 H GLY A 116 6.881 -1.608 -7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.387 0.982 -8.193 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.379 -0.370 -8.703 1.00 0.00 H new ATOM 1826 N GLU A 117 6.751 -0.730 -10.957 1.00 0.00 N ATOM 1827 CA GLU A 117 6.397 -0.589 -12.364 1.00 0.00 C ATOM 1828 C GLU A 117 5.009 0.027 -12.517 1.00 0.00 C ATOM 1829 O GLU A 117 4.744 0.758 -13.470 1.00 0.00 O ATOM 1830 CB GLU A 117 6.443 -1.949 -13.064 1.00 0.00 C ATOM 1831 CG GLU A 117 7.848 -2.403 -13.419 1.00 0.00 C ATOM 1832 CD GLU A 117 7.882 -3.285 -14.652 1.00 0.00 C ATOM 1833 OE1 GLU A 117 7.484 -2.807 -15.735 1.00 0.00 O ATOM 1834 OE2 GLU A 117 8.307 -4.453 -14.534 1.00 0.00 O ATOM 0 H GLU A 117 6.776 -1.693 -10.623 1.00 0.00 H new ATOM 0 HA GLU A 117 7.124 0.076 -12.830 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.981 -2.696 -12.419 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.845 -1.900 -13.974 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.477 -1.529 -13.585 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.274 -2.947 -12.576 1.00 0.00 H new ATOM 1841 N ALA A 118 4.127 -0.275 -11.570 1.00 0.00 N ATOM 1842 CA ALA A 118 2.767 0.249 -11.597 1.00 0.00 C ATOM 1843 C ALA A 118 2.705 1.647 -10.991 1.00 0.00 C ATOM 1844 O ALA A 118 1.705 2.350 -11.129 1.00 0.00 O ATOM 1845 CB ALA A 118 1.824 -0.690 -10.860 1.00 0.00 C ATOM 0 H ALA A 118 4.330 -0.880 -10.774 1.00 0.00 H new ATOM 0 HA ALA A 118 2.452 0.318 -12.638 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.812 -0.286 -10.888 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.837 -1.669 -11.339 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.146 -0.789 -9.823 1.00 0.00 H new ATOM 1851 N ALA A 119 3.781 2.044 -10.319 1.00 0.00 N ATOM 1852 CA ALA A 119 3.849 3.358 -9.692 1.00 0.00 C ATOM 1853 C ALA A 119 4.593 4.351 -10.579 1.00 0.00 C ATOM 1854 O ALA A 119 4.382 5.560 -10.485 1.00 0.00 O ATOM 1855 CB ALA A 119 4.519 3.260 -8.330 1.00 0.00 C ATOM 0 H ALA A 119 4.618 1.474 -10.195 1.00 0.00 H new ATOM 0 HA ALA A 119 2.830 3.722 -9.558 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.563 4.249 -7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.945 2.590 -7.690 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.530 2.871 -8.449 1.00 0.00 H new ATOM 1861 N ARG A 120 5.464 3.832 -11.439 1.00 0.00 N ATOM 1862 CA ARG A 120 6.240 4.674 -12.341 1.00 0.00 C ATOM 1863 C ARG A 120 5.497 4.891 -13.656 1.00 0.00 C ATOM 1864 O ARG A 120 4.968 3.949 -14.245 1.00 0.00 O ATOM 1865 CB ARG A 120 7.606 4.042 -12.613 1.00 0.00 C ATOM 1866 CG ARG A 120 7.618 3.108 -13.812 1.00 0.00 C ATOM 1867 CD ARG A 120 8.970 2.433 -13.980 1.00 0.00 C ATOM 1868 NE ARG A 120 9.924 3.286 -14.684 1.00 0.00 N ATOM 1869 CZ ARG A 120 9.892 3.499 -15.995 1.00 0.00 C ATOM 1870 NH1 ARG A 120 8.959 2.924 -16.741 1.00 0.00 N ATOM 1871 NH2 ARG A 120 10.795 4.289 -16.562 1.00 0.00 N ATOM 0 H ARG A 120 5.650 2.833 -11.530 1.00 0.00 H new ATOM 0 HA ARG A 120 6.384 5.642 -11.861 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.338 4.834 -12.773 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.923 3.489 -11.729 1.00 0.00 H new ATOM 0 HG2 ARG A 120 6.844 2.350 -13.691 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.376 3.670 -14.714 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.370 2.174 -13.000 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.844 1.500 -14.529 1.00 0.00 H new ATOM 0 HE ARG A 120 10.655 3.743 -14.139 1.00 0.00 H new ATOM 0 HH11 ARG A 120 8.263 2.316 -16.309 1.00 0.00 H new ATOM 0 HH12 ARG A 120 8.937 3.089 -17.747 1.00 0.00 H new ATOM 0 HH21 ARG A 120 11.514 4.733 -15.991 1.00 0.00 H new ATOM 0 HH22 ARG A 120 10.770 4.452 -17.569 1.00 0.00 H new