USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1024 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 112 TYR OH : rot 165:sc= 0.144 USER MOD Set 1.2: A 116 LYS NZ :NH3+ 156:sc= 0.483 (180deg=-0.663) USER MOD Set 2.1: A 19 MET CE :methyl 139:sc= 0 (180deg=-0.985) USER MOD Set 2.2: A 115 MET CE :methyl -116:sc= -1.22 (180deg=-1.04) USER MOD Set 3.1: A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Set 3.2: A 97 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0959) USER MOD Single : A 9 GLN : amide:sc= -0.392 K(o=-0.39,f=-1.2) USER MOD Single : A 10 GLN : amide:sc= -0.536 X(o=-0.54,f=-0.3) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.57 K(o=-2.6,f=-5.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= -0.461 USER MOD Single : A 42 SER OG : rot 180:sc= -0.12 USER MOD Single : A 44 ASN : amide:sc= -0.42 K(o=-0.42,f=-5.4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 80 SER OG : rot 43:sc= -1.54 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -47:sc= 0.414 USER MOD Single : A 91 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.017) USER MOD Single : A 92 THR OG1 : rot 140:sc= 0 USER MOD Single : A 93 THR OG1 : rot 83:sc= 1.18 USER MOD Single : A 95 ASN : amide:sc= -0.0592 K(o=-0.059,f=-1.7!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -138:sc= 0.0886 USER MOD Single : A 108 GLN : amide:sc= -3.19! C(o=-3.2!,f=-4.3!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -39:sc= 1.14 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 158:sc= 0.722 USER MOD Single : A 126 SER OG : rot -25:sc= 1.1 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 0:sc= -0.188 USER MOD Single : A 130 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 77 N GLN A 9 -18.302 7.829 1.976 1.00 0.00 N ATOM 78 CA GLN A 9 -18.624 7.409 0.618 1.00 0.00 C ATOM 79 C GLN A 9 -17.883 8.262 -0.406 1.00 0.00 C ATOM 80 O GLN A 9 -17.307 7.741 -1.361 1.00 0.00 O ATOM 81 CB GLN A 9 -20.132 7.497 0.378 1.00 0.00 C ATOM 82 CG GLN A 9 -20.545 7.136 -1.039 1.00 0.00 C ATOM 83 CD GLN A 9 -22.024 6.820 -1.154 1.00 0.00 C ATOM 84 OE1 GLN A 9 -22.802 7.099 -0.242 1.00 0.00 O ATOM 85 NE2 GLN A 9 -22.418 6.234 -2.278 1.00 0.00 N ATOM 0 HA GLN A 9 -18.305 6.374 0.500 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -20.642 6.833 1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -20.468 8.510 0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -20.301 7.963 -1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -19.966 6.275 -1.374 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -21.738 6.021 -3.008 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -23.401 5.997 -2.412 1.00 0.00 H new ATOM 94 N GLN A 10 -17.904 9.575 -0.201 1.00 0.00 N ATOM 95 CA GLN A 10 -17.235 10.500 -1.108 1.00 0.00 C ATOM 96 C GLN A 10 -15.719 10.355 -1.013 1.00 0.00 C ATOM 97 O GLN A 10 -15.017 10.400 -2.023 1.00 0.00 O ATOM 98 CB GLN A 10 -17.643 11.940 -0.794 1.00 0.00 C ATOM 99 CG GLN A 10 -18.995 12.329 -1.370 1.00 0.00 C ATOM 100 CD GLN A 10 -20.146 11.616 -0.688 1.00 0.00 C ATOM 101 OE1 GLN A 10 -20.646 12.066 0.343 1.00 0.00 O ATOM 102 NE2 GLN A 10 -20.574 10.498 -1.262 1.00 0.00 N ATOM 0 H GLN A 10 -18.377 10.022 0.585 1.00 0.00 H new ATOM 0 HA GLN A 10 -17.541 10.257 -2.126 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -17.666 12.075 0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -16.883 12.617 -1.184 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -19.131 13.406 -1.273 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -19.011 12.101 -2.436 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -20.130 10.161 -2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -21.347 9.976 -0.849 1.00 0.00 H new ATOM 111 N ARG A 11 -15.222 10.183 0.208 1.00 0.00 N ATOM 112 CA ARG A 11 -13.790 10.034 0.435 1.00 0.00 C ATOM 113 C ARG A 11 -13.236 8.845 -0.345 1.00 0.00 C ATOM 114 O ARG A 11 -12.164 8.928 -0.944 1.00 0.00 O ATOM 115 CB ARG A 11 -13.505 9.856 1.928 1.00 0.00 C ATOM 116 CG ARG A 11 -12.157 10.410 2.361 1.00 0.00 C ATOM 117 CD ARG A 11 -12.264 11.866 2.786 1.00 0.00 C ATOM 118 NE ARG A 11 -12.494 12.753 1.649 1.00 0.00 N ATOM 119 CZ ARG A 11 -11.519 13.362 0.983 1.00 0.00 C ATOM 120 NH1 ARG A 11 -10.255 13.182 1.340 1.00 0.00 N ATOM 121 NH2 ARG A 11 -11.808 14.155 -0.041 1.00 0.00 N ATOM 0 H ARG A 11 -15.790 10.143 1.054 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.296 10.939 0.083 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.291 10.348 2.501 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.548 8.795 2.174 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.767 9.816 3.188 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -11.445 10.321 1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.079 11.976 3.502 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.348 12.162 3.297 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.456 12.914 1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.029 12.575 2.128 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.508 13.651 0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.779 14.297 -0.317 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.059 14.622 -0.552 1.00 0.00 H new ATOM 135 N VAL A 12 -13.975 7.740 -0.332 1.00 0.00 N ATOM 136 CA VAL A 12 -13.559 6.534 -1.038 1.00 0.00 C ATOM 137 C VAL A 12 -13.396 6.800 -2.531 1.00 0.00 C ATOM 138 O VAL A 12 -12.318 6.608 -3.093 1.00 0.00 O ATOM 139 CB VAL A 12 -14.570 5.390 -0.839 1.00 0.00 C ATOM 140 CG1 VAL A 12 -14.133 4.152 -1.607 1.00 0.00 C ATOM 141 CG2 VAL A 12 -14.737 5.079 0.641 1.00 0.00 C ATOM 0 H VAL A 12 -14.865 7.655 0.160 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.598 6.237 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.536 5.709 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.860 3.354 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.069 4.387 -2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.156 3.827 -1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.455 4.268 0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.777 4.780 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -15.099 5.966 1.161 1.00 0.00 H new ATOM 151 N LYS A 13 -14.474 7.244 -3.168 1.00 0.00 N ATOM 152 CA LYS A 13 -14.452 7.539 -4.595 1.00 0.00 C ATOM 153 C LYS A 13 -13.215 8.352 -4.964 1.00 0.00 C ATOM 154 O LYS A 13 -12.533 8.051 -5.944 1.00 0.00 O ATOM 155 CB LYS A 13 -15.716 8.303 -4.999 1.00 0.00 C ATOM 156 CG LYS A 13 -15.812 8.575 -6.490 1.00 0.00 C ATOM 157 CD LYS A 13 -16.159 7.315 -7.265 1.00 0.00 C ATOM 158 CE LYS A 13 -16.404 7.616 -8.736 1.00 0.00 C ATOM 159 NZ LYS A 13 -17.781 8.129 -8.975 1.00 0.00 N ATOM 0 H LYS A 13 -15.375 7.407 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.418 6.593 -5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -16.591 7.733 -4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.744 9.251 -4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.570 9.337 -6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.864 8.975 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.348 6.593 -7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.048 6.854 -6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.677 8.351 -9.082 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.247 6.711 -9.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.908 8.322 -9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.475 7.417 -8.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.923 9.006 -8.435 1.00 0.00 H new ATOM 173 N ARG A 14 -12.931 9.381 -4.173 1.00 0.00 N ATOM 174 CA ARG A 14 -11.775 10.236 -4.417 1.00 0.00 C ATOM 175 C ARG A 14 -10.556 9.404 -4.804 1.00 0.00 C ATOM 176 O ARG A 14 -9.801 9.773 -5.704 1.00 0.00 O ATOM 177 CB ARG A 14 -11.462 11.073 -3.176 1.00 0.00 C ATOM 178 CG ARG A 14 -10.285 12.017 -3.359 1.00 0.00 C ATOM 179 CD ARG A 14 -10.664 13.223 -4.204 1.00 0.00 C ATOM 180 NE ARG A 14 -11.347 14.248 -3.419 1.00 0.00 N ATOM 181 CZ ARG A 14 -12.469 14.844 -3.806 1.00 0.00 C ATOM 182 NH1 ARG A 14 -13.032 14.518 -4.961 1.00 0.00 N ATOM 183 NH2 ARG A 14 -13.031 15.768 -3.037 1.00 0.00 N ATOM 0 H ARG A 14 -13.485 9.643 -3.358 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.016 10.903 -5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.344 11.654 -2.908 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.254 10.405 -2.340 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -9.931 12.351 -2.384 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.460 11.484 -3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.766 13.648 -4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -11.309 12.904 -5.023 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.940 14.521 -2.524 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -12.604 13.808 -5.555 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.894 14.977 -5.256 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -12.601 16.021 -2.147 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -13.893 16.225 -3.336 1.00 0.00 H new ATOM 197 N TRP A 15 -10.370 8.283 -4.118 1.00 0.00 N ATOM 198 CA TRP A 15 -9.241 7.399 -4.389 1.00 0.00 C ATOM 199 C TRP A 15 -9.317 6.839 -5.805 1.00 0.00 C ATOM 200 O TRP A 15 -8.307 6.747 -6.502 1.00 0.00 O ATOM 201 CB TRP A 15 -9.208 6.254 -3.376 1.00 0.00 C ATOM 202 CG TRP A 15 -9.420 6.706 -1.962 1.00 0.00 C ATOM 203 CD1 TRP A 15 -8.991 7.876 -1.403 1.00 0.00 C ATOM 204 CD2 TRP A 15 -10.112 5.995 -0.930 1.00 0.00 C ATOM 205 NE1 TRP A 15 -9.375 7.934 -0.084 1.00 0.00 N ATOM 206 CE2 TRP A 15 -10.064 6.793 0.230 1.00 0.00 C ATOM 207 CE3 TRP A 15 -10.769 4.763 -0.873 1.00 0.00 C ATOM 208 CZ2 TRP A 15 -10.647 6.397 1.430 1.00 0.00 C ATOM 209 CZ3 TRP A 15 -11.347 4.371 0.320 1.00 0.00 C ATOM 210 CH2 TRP A 15 -11.284 5.186 1.458 1.00 0.00 C ATOM 0 H TRP A 15 -10.986 7.964 -3.370 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.325 7.982 -4.297 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -9.976 5.526 -3.636 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.248 5.743 -3.447 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.433 8.642 -1.920 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -9.178 8.703 0.557 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -10.824 4.129 -1.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -10.598 7.023 2.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -11.856 3.420 0.376 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -11.747 4.852 2.375 1.00 0.00 H new ATOM 221 N GLY A 16 -10.522 6.464 -6.226 1.00 0.00 N ATOM 222 CA GLY A 16 -10.706 5.917 -7.557 1.00 0.00 C ATOM 223 C GLY A 16 -9.957 6.703 -8.615 1.00 0.00 C ATOM 224 O GLY A 16 -9.683 6.191 -9.701 1.00 0.00 O ATOM 0 H GLY A 16 -11.374 6.530 -5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.368 4.881 -7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.769 5.908 -7.799 1.00 0.00 H new ATOM 228 N PHE A 17 -9.625 7.950 -8.300 1.00 0.00 N ATOM 229 CA PHE A 17 -8.906 8.809 -9.233 1.00 0.00 C ATOM 230 C PHE A 17 -7.416 8.476 -9.240 1.00 0.00 C ATOM 231 O PHE A 17 -6.599 9.250 -9.737 1.00 0.00 O ATOM 232 CB PHE A 17 -9.109 10.281 -8.866 1.00 0.00 C ATOM 233 CG PHE A 17 -10.542 10.723 -8.937 1.00 0.00 C ATOM 234 CD1 PHE A 17 -11.273 10.566 -10.104 1.00 0.00 C ATOM 235 CD2 PHE A 17 -11.159 11.299 -7.838 1.00 0.00 C ATOM 236 CE1 PHE A 17 -12.592 10.972 -10.173 1.00 0.00 C ATOM 237 CE2 PHE A 17 -12.478 11.706 -7.901 1.00 0.00 C ATOM 238 CZ PHE A 17 -13.195 11.544 -9.070 1.00 0.00 C ATOM 0 H PHE A 17 -9.843 8.389 -7.405 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.306 8.633 -10.232 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.734 10.451 -7.857 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.512 10.900 -9.536 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.806 10.121 -10.970 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.603 11.431 -6.922 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.151 10.842 -11.088 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.948 12.151 -7.036 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.225 11.864 -9.122 1.00 0.00 H new ATOM 248 N GLY A 18 -7.072 7.318 -8.685 1.00 0.00 N ATOM 249 CA GLY A 18 -5.682 6.903 -8.637 1.00 0.00 C ATOM 250 C GLY A 18 -5.115 6.938 -7.232 1.00 0.00 C ATOM 251 O GLY A 18 -5.722 7.506 -6.324 1.00 0.00 O ATOM 0 H GLY A 18 -7.731 6.660 -8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.594 5.893 -9.036 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.090 7.553 -9.281 1.00 0.00 H new ATOM 255 N MET A 19 -3.948 6.327 -7.051 1.00 0.00 N ATOM 256 CA MET A 19 -3.300 6.290 -5.746 1.00 0.00 C ATOM 257 C MET A 19 -3.007 7.701 -5.244 1.00 0.00 C ATOM 258 O MET A 19 -3.222 8.010 -4.072 1.00 0.00 O ATOM 259 CB MET A 19 -2.002 5.483 -5.819 1.00 0.00 C ATOM 260 CG MET A 19 -1.435 5.118 -4.457 1.00 0.00 C ATOM 261 SD MET A 19 -0.355 3.676 -4.518 1.00 0.00 S ATOM 262 CE MET A 19 0.975 4.292 -5.548 1.00 0.00 C ATOM 0 H MET A 19 -3.433 5.851 -7.792 1.00 0.00 H new ATOM 0 HA MET A 19 -3.980 5.807 -5.045 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.184 4.569 -6.384 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.258 6.057 -6.371 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.879 5.967 -4.060 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.256 4.924 -3.766 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.931 3.953 -5.149 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.852 3.916 -6.564 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.952 5.382 -5.559 1.00 0.00 H new ATOM 272 N ASP A 20 -2.515 8.551 -6.138 1.00 0.00 N ATOM 273 CA ASP A 20 -2.193 9.929 -5.786 1.00 0.00 C ATOM 274 C ASP A 20 -3.139 10.450 -4.709 1.00 0.00 C ATOM 275 O ASP A 20 -2.716 11.129 -3.774 1.00 0.00 O ATOM 276 CB ASP A 20 -2.266 10.825 -7.024 1.00 0.00 C ATOM 277 CG ASP A 20 -3.596 10.710 -7.743 1.00 0.00 C ATOM 278 OD1 ASP A 20 -3.927 9.598 -8.206 1.00 0.00 O ATOM 279 OD2 ASP A 20 -4.306 11.732 -7.843 1.00 0.00 O ATOM 0 H ASP A 20 -2.330 8.310 -7.112 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.177 9.949 -5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.104 11.862 -6.729 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.461 10.559 -7.709 1.00 0.00 H new ATOM 284 N GLU A 21 -4.421 10.128 -4.849 1.00 0.00 N ATOM 285 CA GLU A 21 -5.427 10.566 -3.888 1.00 0.00 C ATOM 286 C GLU A 21 -5.365 9.727 -2.615 1.00 0.00 C ATOM 287 O GLU A 21 -5.024 10.228 -1.544 1.00 0.00 O ATOM 288 CB GLU A 21 -6.825 10.476 -4.504 1.00 0.00 C ATOM 289 CG GLU A 21 -6.976 11.272 -5.789 1.00 0.00 C ATOM 290 CD GLU A 21 -6.537 12.716 -5.636 1.00 0.00 C ATOM 291 OE1 GLU A 21 -6.585 13.232 -4.500 1.00 0.00 O ATOM 292 OE2 GLU A 21 -6.147 13.328 -6.652 1.00 0.00 O ATOM 0 H GLU A 21 -4.787 9.566 -5.617 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.218 11.604 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.058 9.430 -4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.556 10.832 -3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.389 10.799 -6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.018 11.245 -6.109 1.00 0.00 H new ATOM 299 N ALA A 22 -5.699 8.446 -2.741 1.00 0.00 N ATOM 300 CA ALA A 22 -5.680 7.537 -1.602 1.00 0.00 C ATOM 301 C ALA A 22 -4.527 7.862 -0.658 1.00 0.00 C ATOM 302 O ALA A 22 -4.656 7.742 0.561 1.00 0.00 O ATOM 303 CB ALA A 22 -5.583 6.095 -2.079 1.00 0.00 C ATOM 0 H ALA A 22 -5.986 8.015 -3.620 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.612 7.665 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.570 5.427 -1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.443 5.861 -2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.667 5.963 -2.655 1.00 0.00 H new ATOM 309 N LEU A 23 -3.400 8.274 -1.228 1.00 0.00 N ATOM 310 CA LEU A 23 -2.223 8.617 -0.438 1.00 0.00 C ATOM 311 C LEU A 23 -2.478 9.861 0.407 1.00 0.00 C ATOM 312 O LEU A 23 -2.317 9.841 1.627 1.00 0.00 O ATOM 313 CB LEU A 23 -1.019 8.845 -1.352 1.00 0.00 C ATOM 314 CG LEU A 23 -0.638 7.678 -2.264 1.00 0.00 C ATOM 315 CD1 LEU A 23 0.509 8.070 -3.182 1.00 0.00 C ATOM 316 CD2 LEU A 23 -0.268 6.454 -1.438 1.00 0.00 C ATOM 0 H LEU A 23 -3.277 8.379 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.010 7.783 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.221 9.716 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.158 9.091 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.501 7.428 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.766 7.227 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.208 8.917 -3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.376 8.348 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.000 5.633 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.579 6.692 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.118 6.159 -0.823 1.00 0.00 H new ATOM 328 N LYS A 24 -2.878 10.944 -0.251 1.00 0.00 N ATOM 329 CA LYS A 24 -3.159 12.198 0.438 1.00 0.00 C ATOM 330 C LYS A 24 -4.072 11.967 1.639 1.00 0.00 C ATOM 331 O LYS A 24 -3.922 12.611 2.677 1.00 0.00 O ATOM 332 CB LYS A 24 -3.807 13.198 -0.523 1.00 0.00 C ATOM 333 CG LYS A 24 -5.319 13.077 -0.598 1.00 0.00 C ATOM 334 CD LYS A 24 -5.848 13.535 -1.947 1.00 0.00 C ATOM 335 CE LYS A 24 -6.198 15.015 -1.935 1.00 0.00 C ATOM 336 NZ LYS A 24 -7.536 15.264 -1.330 1.00 0.00 N ATOM 0 H LYS A 24 -3.015 10.978 -1.261 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.214 12.606 0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.547 14.210 -0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.389 13.054 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.611 12.041 -0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.773 13.674 0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.100 13.343 -2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.732 12.953 -2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.439 15.563 -1.376 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.183 15.400 -2.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.737 16.284 -1.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.264 14.762 -1.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.543 14.920 -0.349 1.00 0.00 H new ATOM 350 N ASP A 25 -5.015 11.043 1.490 1.00 0.00 N ATOM 351 CA ASP A 25 -5.950 10.725 2.563 1.00 0.00 C ATOM 352 C ASP A 25 -5.355 9.690 3.512 1.00 0.00 C ATOM 353 O ASP A 25 -4.677 8.749 3.099 1.00 0.00 O ATOM 354 CB ASP A 25 -7.267 10.206 1.983 1.00 0.00 C ATOM 355 CG ASP A 25 -8.349 10.070 3.037 1.00 0.00 C ATOM 356 OD1 ASP A 25 -9.048 11.070 3.302 1.00 0.00 O ATOM 357 OD2 ASP A 25 -8.496 8.963 3.595 1.00 0.00 O ATOM 0 H ASP A 25 -5.152 10.501 0.637 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.145 11.638 3.125 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.609 10.884 1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.097 9.237 1.513 1.00 0.00 H new ATOM 362 N PRO A 26 -5.612 9.866 4.817 1.00 0.00 N ATOM 363 CA PRO A 26 -5.111 8.958 5.852 1.00 0.00 C ATOM 364 C PRO A 26 -5.788 7.592 5.803 1.00 0.00 C ATOM 365 O PRO A 26 -5.127 6.557 5.885 1.00 0.00 O ATOM 366 CB PRO A 26 -5.459 9.680 7.156 1.00 0.00 C ATOM 367 CG PRO A 26 -6.620 10.548 6.811 1.00 0.00 C ATOM 368 CD PRO A 26 -6.413 10.965 5.381 1.00 0.00 C ATOM 0 HA PRO A 26 -4.047 8.752 5.733 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.715 8.972 7.944 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.617 10.270 7.518 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.560 10.008 6.928 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.667 11.416 7.468 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.361 11.082 4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -5.891 11.919 5.312 1.00 0.00 H new ATOM 376 N VAL A 27 -7.111 7.597 5.667 1.00 0.00 N ATOM 377 CA VAL A 27 -7.877 6.358 5.605 1.00 0.00 C ATOM 378 C VAL A 27 -7.612 5.613 4.302 1.00 0.00 C ATOM 379 O VAL A 27 -7.185 4.459 4.310 1.00 0.00 O ATOM 380 CB VAL A 27 -9.389 6.627 5.732 1.00 0.00 C ATOM 381 CG1 VAL A 27 -10.175 5.333 5.581 1.00 0.00 C ATOM 382 CG2 VAL A 27 -9.700 7.297 7.061 1.00 0.00 C ATOM 0 H VAL A 27 -7.674 8.445 5.598 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.553 5.742 6.444 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.690 7.303 4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.241 5.542 5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.974 4.897 4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.874 4.632 6.359 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.772 7.480 7.134 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.386 6.648 7.878 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.165 8.245 7.125 1.00 0.00 H new ATOM 392 N GLY A 28 -7.870 6.281 3.181 1.00 0.00 N ATOM 393 CA GLY A 28 -7.653 5.667 1.885 1.00 0.00 C ATOM 394 C GLY A 28 -6.322 4.946 1.800 1.00 0.00 C ATOM 395 O GLY A 28 -6.182 3.972 1.059 1.00 0.00 O ATOM 0 H GLY A 28 -8.225 7.237 3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.458 4.961 1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.697 6.434 1.111 1.00 0.00 H new ATOM 399 N ARG A 29 -5.342 5.424 2.559 1.00 0.00 N ATOM 400 CA ARG A 29 -4.015 4.821 2.565 1.00 0.00 C ATOM 401 C ARG A 29 -4.056 3.423 3.176 1.00 0.00 C ATOM 402 O ARG A 29 -3.525 2.470 2.606 1.00 0.00 O ATOM 403 CB ARG A 29 -3.034 5.700 3.342 1.00 0.00 C ATOM 404 CG ARG A 29 -2.320 6.726 2.478 1.00 0.00 C ATOM 405 CD ARG A 29 -1.270 7.488 3.272 1.00 0.00 C ATOM 406 NE ARG A 29 -1.841 8.631 3.980 1.00 0.00 N ATOM 407 CZ ARG A 29 -1.151 9.397 4.816 1.00 0.00 C ATOM 408 NH1 ARG A 29 0.130 9.145 5.048 1.00 0.00 N ATOM 409 NH2 ARG A 29 -1.741 10.419 5.423 1.00 0.00 N ATOM 0 H ARG A 29 -5.442 6.228 3.179 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.677 4.738 1.532 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.573 6.218 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.292 5.063 3.824 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.847 6.226 1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.047 7.427 2.067 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.800 6.816 3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.486 7.834 2.598 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.824 8.853 3.823 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.588 8.361 4.583 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.658 9.735 5.691 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.726 10.617 5.247 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.209 11.007 6.065 1.00 0.00 H new ATOM 423 N GLU A 30 -4.690 3.310 4.339 1.00 0.00 N ATOM 424 CA GLU A 30 -4.798 2.029 5.028 1.00 0.00 C ATOM 425 C GLU A 30 -5.728 1.083 4.273 1.00 0.00 C ATOM 426 O GLU A 30 -5.428 -0.099 4.111 1.00 0.00 O ATOM 427 CB GLU A 30 -5.310 2.234 6.455 1.00 0.00 C ATOM 428 CG GLU A 30 -6.825 2.226 6.566 1.00 0.00 C ATOM 429 CD GLU A 30 -7.310 2.566 7.962 1.00 0.00 C ATOM 430 OE1 GLU A 30 -6.775 3.525 8.557 1.00 0.00 O ATOM 431 OE2 GLU A 30 -8.222 1.874 8.459 1.00 0.00 O ATOM 0 H GLU A 30 -5.136 4.089 4.823 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.805 1.581 5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.903 1.450 7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.931 3.183 6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.241 2.941 5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.201 1.242 6.284 1.00 0.00 H new ATOM 438 N GLN A 31 -6.858 1.613 3.816 1.00 0.00 N ATOM 439 CA GLN A 31 -7.833 0.816 3.081 1.00 0.00 C ATOM 440 C GLN A 31 -7.176 0.105 1.902 1.00 0.00 C ATOM 441 O GLN A 31 -7.178 -1.124 1.826 1.00 0.00 O ATOM 442 CB GLN A 31 -8.976 1.702 2.584 1.00 0.00 C ATOM 443 CG GLN A 31 -9.720 2.418 3.700 1.00 0.00 C ATOM 444 CD GLN A 31 -9.912 1.547 4.926 1.00 0.00 C ATOM 445 OE1 GLN A 31 -9.509 1.913 6.031 1.00 0.00 O ATOM 446 NE2 GLN A 31 -10.529 0.386 4.738 1.00 0.00 N ATOM 0 H GLN A 31 -7.121 2.591 3.942 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.235 0.063 3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.576 2.443 1.892 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.682 1.090 2.023 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.170 3.317 3.980 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.694 2.742 3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.847 0.122 3.805 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.685 -0.242 5.526 1.00 0.00 H new ATOM 455 N PHE A 32 -6.614 0.885 0.985 1.00 0.00 N ATOM 456 CA PHE A 32 -5.954 0.330 -0.191 1.00 0.00 C ATOM 457 C PHE A 32 -4.949 -0.747 0.207 1.00 0.00 C ATOM 458 O PHE A 32 -4.805 -1.761 -0.477 1.00 0.00 O ATOM 459 CB PHE A 32 -5.248 1.437 -0.976 1.00 0.00 C ATOM 460 CG PHE A 32 -4.204 0.926 -1.927 1.00 0.00 C ATOM 461 CD1 PHE A 32 -4.563 0.158 -3.023 1.00 0.00 C ATOM 462 CD2 PHE A 32 -2.864 1.213 -1.725 1.00 0.00 C ATOM 463 CE1 PHE A 32 -3.604 -0.315 -3.899 1.00 0.00 C ATOM 464 CE2 PHE A 32 -1.900 0.744 -2.598 1.00 0.00 C ATOM 465 CZ PHE A 32 -2.271 -0.021 -3.687 1.00 0.00 C ATOM 0 H PHE A 32 -6.602 1.904 1.033 1.00 0.00 H new ATOM 0 HA PHE A 32 -6.716 -0.125 -0.824 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.991 2.005 -1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.781 2.128 -0.274 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.604 -0.074 -3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.569 1.810 -0.875 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.897 -0.914 -4.749 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.859 0.975 -2.429 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.520 -0.388 -4.371 1.00 0.00 H new ATOM 475 N LEU A 33 -4.256 -0.519 1.317 1.00 0.00 N ATOM 476 CA LEU A 33 -3.263 -1.469 1.807 1.00 0.00 C ATOM 477 C LEU A 33 -3.912 -2.806 2.152 1.00 0.00 C ATOM 478 O LEU A 33 -3.496 -3.855 1.660 1.00 0.00 O ATOM 479 CB LEU A 33 -2.551 -0.903 3.038 1.00 0.00 C ATOM 480 CG LEU A 33 -1.873 -1.926 3.950 1.00 0.00 C ATOM 481 CD1 LEU A 33 -0.445 -2.183 3.496 1.00 0.00 C ATOM 482 CD2 LEU A 33 -1.897 -1.450 5.395 1.00 0.00 C ATOM 0 H LEU A 33 -4.363 0.315 1.895 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.532 -1.634 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.798 -0.190 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.277 -0.345 3.628 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.426 -2.863 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.021 -2.914 4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.451 -2.568 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.120 -1.252 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.410 -2.190 6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.368 -0.500 5.474 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.930 -1.318 5.718 1.00 0.00 H new ATOM 494 N LYS A 34 -4.935 -2.761 2.998 1.00 0.00 N ATOM 495 CA LYS A 34 -5.645 -3.967 3.406 1.00 0.00 C ATOM 496 C LYS A 34 -5.725 -4.967 2.256 1.00 0.00 C ATOM 497 O LYS A 34 -5.202 -6.077 2.348 1.00 0.00 O ATOM 498 CB LYS A 34 -7.054 -3.616 3.889 1.00 0.00 C ATOM 499 CG LYS A 34 -7.072 -2.654 5.064 1.00 0.00 C ATOM 500 CD LYS A 34 -8.413 -2.669 5.777 1.00 0.00 C ATOM 501 CE LYS A 34 -8.589 -1.443 6.660 1.00 0.00 C ATOM 502 NZ LYS A 34 -7.991 -1.640 8.009 1.00 0.00 N ATOM 0 H LYS A 34 -5.291 -1.901 3.415 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.090 -4.425 4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.614 -3.178 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.571 -4.533 4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.283 -2.922 5.766 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.857 -1.645 4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.217 -2.707 5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.493 -3.571 6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.126 -0.581 6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.651 -1.219 6.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.132 -0.782 8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.450 -2.447 8.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.973 -1.828 7.913 1.00 0.00 H new ATOM 516 N PHE A 35 -6.382 -4.564 1.173 1.00 0.00 N ATOM 517 CA PHE A 35 -6.530 -5.425 0.005 1.00 0.00 C ATOM 518 C PHE A 35 -5.196 -6.061 -0.374 1.00 0.00 C ATOM 519 O PHE A 35 -5.087 -7.283 -0.484 1.00 0.00 O ATOM 520 CB PHE A 35 -7.080 -4.625 -1.178 1.00 0.00 C ATOM 521 CG PHE A 35 -7.144 -5.411 -2.456 1.00 0.00 C ATOM 522 CD1 PHE A 35 -8.218 -6.245 -2.720 1.00 0.00 C ATOM 523 CD2 PHE A 35 -6.128 -5.317 -3.393 1.00 0.00 C ATOM 524 CE1 PHE A 35 -8.280 -6.970 -3.895 1.00 0.00 C ATOM 525 CE2 PHE A 35 -6.184 -6.039 -4.570 1.00 0.00 C ATOM 526 CZ PHE A 35 -7.260 -6.867 -4.821 1.00 0.00 C ATOM 0 H PHE A 35 -6.820 -3.648 1.080 1.00 0.00 H new ATOM 0 HA PHE A 35 -7.233 -6.219 0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -8.079 -4.267 -0.931 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -6.455 -3.745 -1.333 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -9.017 -6.330 -1.998 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.283 -4.672 -3.202 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -9.124 -7.616 -4.089 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.386 -5.956 -5.293 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.304 -7.433 -5.740 1.00 0.00 H new ATOM 536 N LEU A 36 -4.183 -5.224 -0.573 1.00 0.00 N ATOM 537 CA LEU A 36 -2.855 -5.703 -0.940 1.00 0.00 C ATOM 538 C LEU A 36 -2.426 -6.859 -0.042 1.00 0.00 C ATOM 539 O LEU A 36 -2.134 -7.954 -0.521 1.00 0.00 O ATOM 540 CB LEU A 36 -1.838 -4.565 -0.849 1.00 0.00 C ATOM 541 CG LEU A 36 -1.591 -3.780 -2.137 1.00 0.00 C ATOM 542 CD1 LEU A 36 -2.882 -3.149 -2.634 1.00 0.00 C ATOM 543 CD2 LEU A 36 -0.525 -2.716 -1.918 1.00 0.00 C ATOM 0 H LEU A 36 -4.256 -4.210 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.896 -6.063 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.171 -3.867 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.888 -4.980 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.233 -4.473 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.686 -2.594 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.616 -3.930 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.270 -2.470 -1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.363 -2.167 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.854 -2.026 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.406 -3.192 -1.610 1.00 0.00 H new ATOM 555 N GLU A 37 -2.391 -6.606 1.263 1.00 0.00 N ATOM 556 CA GLU A 37 -1.998 -7.626 2.228 1.00 0.00 C ATOM 557 C GLU A 37 -2.553 -8.992 1.832 1.00 0.00 C ATOM 558 O GLU A 37 -1.911 -10.020 2.043 1.00 0.00 O ATOM 559 CB GLU A 37 -2.488 -7.251 3.628 1.00 0.00 C ATOM 560 CG GLU A 37 -1.877 -5.966 4.162 1.00 0.00 C ATOM 561 CD GLU A 37 -2.377 -5.615 5.550 1.00 0.00 C ATOM 562 OE1 GLU A 37 -3.460 -6.106 5.931 1.00 0.00 O ATOM 563 OE2 GLU A 37 -1.686 -4.850 6.254 1.00 0.00 O ATOM 0 H GLU A 37 -2.630 -5.704 1.676 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.910 -7.683 2.235 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.573 -7.147 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.258 -8.066 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.792 -6.066 4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.107 -5.148 3.479 1.00 0.00 H new ATOM 570 N SER A 38 -3.752 -8.993 1.258 1.00 0.00 N ATOM 571 CA SER A 38 -4.397 -10.231 0.836 1.00 0.00 C ATOM 572 C SER A 38 -3.696 -10.820 -0.384 1.00 0.00 C ATOM 573 O SER A 38 -3.356 -12.002 -0.407 1.00 0.00 O ATOM 574 CB SER A 38 -5.872 -9.981 0.520 1.00 0.00 C ATOM 575 OG SER A 38 -6.565 -11.200 0.316 1.00 0.00 O ATOM 0 H SER A 38 -4.296 -8.150 1.075 1.00 0.00 H new ATOM 0 HA SER A 38 -4.325 -10.946 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.334 -9.429 1.339 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.956 -9.358 -0.371 1.00 0.00 H new ATOM 0 HG SER A 38 -7.506 -11.012 0.117 1.00 0.00 H new ATOM 581 N GLU A 39 -3.484 -9.986 -1.398 1.00 0.00 N ATOM 582 CA GLU A 39 -2.825 -10.424 -2.622 1.00 0.00 C ATOM 583 C GLU A 39 -1.315 -10.519 -2.423 1.00 0.00 C ATOM 584 O GLU A 39 -0.560 -10.670 -3.384 1.00 0.00 O ATOM 585 CB GLU A 39 -3.140 -9.462 -3.770 1.00 0.00 C ATOM 586 CG GLU A 39 -2.340 -8.172 -3.719 1.00 0.00 C ATOM 587 CD GLU A 39 -2.940 -7.079 -4.583 1.00 0.00 C ATOM 588 OE1 GLU A 39 -3.422 -7.397 -5.691 1.00 0.00 O ATOM 589 OE2 GLU A 39 -2.929 -5.907 -4.151 1.00 0.00 O ATOM 0 H GLU A 39 -3.759 -9.004 -1.395 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.204 -11.415 -2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.944 -9.964 -4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.203 -9.222 -3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.283 -7.825 -2.687 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.319 -8.369 -4.046 1.00 0.00 H new ATOM 596 N PHE A 40 -0.883 -10.428 -1.170 1.00 0.00 N ATOM 597 CA PHE A 40 0.537 -10.501 -0.844 1.00 0.00 C ATOM 598 C PHE A 40 1.334 -9.483 -1.653 1.00 0.00 C ATOM 599 O PHE A 40 2.407 -9.789 -2.173 1.00 0.00 O ATOM 600 CB PHE A 40 1.070 -11.911 -1.109 1.00 0.00 C ATOM 601 CG PHE A 40 0.164 -12.999 -0.610 1.00 0.00 C ATOM 602 CD1 PHE A 40 -0.902 -13.439 -1.379 1.00 0.00 C ATOM 603 CD2 PHE A 40 0.377 -13.582 0.629 1.00 0.00 C ATOM 604 CE1 PHE A 40 -1.738 -14.439 -0.921 1.00 0.00 C ATOM 605 CE2 PHE A 40 -0.456 -14.584 1.091 1.00 0.00 C ATOM 606 CZ PHE A 40 -1.514 -15.013 0.315 1.00 0.00 C ATOM 0 H PHE A 40 -1.495 -10.304 -0.364 1.00 0.00 H new ATOM 0 HA PHE A 40 0.654 -10.268 0.214 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.221 -12.038 -2.181 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.046 -12.017 -0.635 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.081 -12.995 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.203 -13.250 1.241 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.566 -14.772 -1.529 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.279 -15.031 2.058 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.165 -15.796 0.674 1.00 0.00 H new ATOM 616 N SER A 41 0.801 -8.269 -1.756 1.00 0.00 N ATOM 617 CA SER A 41 1.460 -7.206 -2.506 1.00 0.00 C ATOM 618 C SER A 41 1.865 -6.061 -1.582 1.00 0.00 C ATOM 619 O SER A 41 2.750 -5.270 -1.907 1.00 0.00 O ATOM 620 CB SER A 41 0.537 -6.684 -3.609 1.00 0.00 C ATOM 621 OG SER A 41 0.664 -7.459 -4.788 1.00 0.00 O ATOM 0 H SER A 41 -0.085 -7.998 -1.330 1.00 0.00 H new ATOM 0 HA SER A 41 2.360 -7.619 -2.961 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.497 -6.707 -3.264 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.777 -5.643 -3.826 1.00 0.00 H new ATOM 0 HG SER A 41 0.063 -7.107 -5.477 1.00 0.00 H new ATOM 627 N SER A 42 1.210 -5.980 -0.428 1.00 0.00 N ATOM 628 CA SER A 42 1.499 -4.931 0.542 1.00 0.00 C ATOM 629 C SER A 42 2.985 -4.583 0.541 1.00 0.00 C ATOM 630 O SER A 42 3.358 -3.410 0.549 1.00 0.00 O ATOM 631 CB SER A 42 1.068 -5.369 1.943 1.00 0.00 C ATOM 632 OG SER A 42 1.931 -6.371 2.452 1.00 0.00 O ATOM 0 H SER A 42 0.476 -6.628 -0.142 1.00 0.00 H new ATOM 0 HA SER A 42 0.935 -4.043 0.257 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.069 -4.509 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.046 -5.747 1.911 1.00 0.00 H new ATOM 0 HG SER A 42 1.635 -6.633 3.349 1.00 0.00 H new ATOM 638 N GLU A 43 3.827 -5.611 0.530 1.00 0.00 N ATOM 639 CA GLU A 43 5.272 -5.414 0.528 1.00 0.00 C ATOM 640 C GLU A 43 5.651 -4.178 -0.281 1.00 0.00 C ATOM 641 O GLU A 43 6.423 -3.336 0.176 1.00 0.00 O ATOM 642 CB GLU A 43 5.976 -6.647 -0.042 1.00 0.00 C ATOM 643 CG GLU A 43 5.429 -7.961 0.490 1.00 0.00 C ATOM 644 CD GLU A 43 5.387 -8.005 2.005 1.00 0.00 C ATOM 645 OE1 GLU A 43 4.866 -7.046 2.611 1.00 0.00 O ATOM 646 OE2 GLU A 43 5.876 -8.998 2.584 1.00 0.00 O ATOM 0 H GLU A 43 3.534 -6.588 0.522 1.00 0.00 H new ATOM 0 HA GLU A 43 5.594 -5.265 1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.884 -6.638 -1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.040 -6.586 0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.424 -8.117 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.045 -8.782 0.123 1.00 0.00 H new ATOM 653 N ASN A 44 5.103 -4.076 -1.488 1.00 0.00 N ATOM 654 CA ASN A 44 5.384 -2.944 -2.363 1.00 0.00 C ATOM 655 C ASN A 44 5.120 -1.624 -1.645 1.00 0.00 C ATOM 656 O ASN A 44 6.011 -0.781 -1.524 1.00 0.00 O ATOM 657 CB ASN A 44 4.532 -3.028 -3.630 1.00 0.00 C ATOM 658 CG ASN A 44 4.594 -4.397 -4.279 1.00 0.00 C ATOM 659 OD1 ASN A 44 5.155 -5.338 -3.717 1.00 0.00 O ATOM 660 ND2 ASN A 44 4.016 -4.515 -5.469 1.00 0.00 N ATOM 0 H ASN A 44 4.462 -4.764 -1.882 1.00 0.00 H new ATOM 0 HA ASN A 44 6.438 -2.983 -2.639 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.497 -2.792 -3.385 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.870 -2.276 -4.342 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.026 -5.412 -5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.562 -3.708 -5.898 1.00 0.00 H new ATOM 667 N LEU A 45 3.891 -1.450 -1.171 1.00 0.00 N ATOM 668 CA LEU A 45 3.509 -0.232 -0.465 1.00 0.00 C ATOM 669 C LEU A 45 4.270 -0.104 0.851 1.00 0.00 C ATOM 670 O LEU A 45 4.951 0.892 1.091 1.00 0.00 O ATOM 671 CB LEU A 45 2.003 -0.225 -0.199 1.00 0.00 C ATOM 672 CG LEU A 45 1.420 1.086 0.330 1.00 0.00 C ATOM 673 CD1 LEU A 45 1.442 2.155 -0.752 1.00 0.00 C ATOM 674 CD2 LEU A 45 0.004 0.872 0.843 1.00 0.00 C ATOM 0 H LEU A 45 3.142 -2.137 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 45 3.765 0.620 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.490 -0.480 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.777 -1.015 0.518 1.00 0.00 H new ATOM 0 HG LEU A 45 2.038 1.427 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.023 3.081 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.470 2.329 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.849 1.823 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.395 1.816 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.626 0.507 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.016 0.140 1.650 1.00 0.00 H new ATOM 686 N ARG A 46 4.150 -1.121 1.699 1.00 0.00 N ATOM 687 CA ARG A 46 4.827 -1.123 2.990 1.00 0.00 C ATOM 688 C ARG A 46 6.186 -0.435 2.892 1.00 0.00 C ATOM 689 O ARG A 46 6.561 0.349 3.765 1.00 0.00 O ATOM 690 CB ARG A 46 5.004 -2.556 3.495 1.00 0.00 C ATOM 691 CG ARG A 46 3.710 -3.202 3.961 1.00 0.00 C ATOM 692 CD ARG A 46 3.969 -4.284 4.997 1.00 0.00 C ATOM 693 NE ARG A 46 4.557 -3.743 6.220 1.00 0.00 N ATOM 694 CZ ARG A 46 5.381 -4.428 7.005 1.00 0.00 C ATOM 695 NH1 ARG A 46 5.713 -5.674 6.697 1.00 0.00 N ATOM 696 NH2 ARG A 46 5.875 -3.866 8.100 1.00 0.00 N ATOM 0 H ARG A 46 3.590 -1.954 1.515 1.00 0.00 H new ATOM 0 HA ARG A 46 4.209 -0.570 3.697 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.436 -3.162 2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.718 -2.556 4.319 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.054 -2.441 4.384 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.189 -3.633 3.106 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.032 -4.787 5.237 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.636 -5.036 4.576 1.00 0.00 H new ATOM 0 HE ARG A 46 4.322 -2.787 6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.335 -6.109 5.855 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.346 -6.197 7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.622 -2.907 8.340 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.508 -4.392 8.702 1.00 0.00 H new ATOM 710 N PHE A 47 6.919 -0.734 1.825 1.00 0.00 N ATOM 711 CA PHE A 47 8.237 -0.146 1.614 1.00 0.00 C ATOM 712 C PHE A 47 8.124 1.342 1.297 1.00 0.00 C ATOM 713 O PHE A 47 8.806 2.170 1.902 1.00 0.00 O ATOM 714 CB PHE A 47 8.964 -0.867 0.477 1.00 0.00 C ATOM 715 CG PHE A 47 9.972 -0.007 -0.230 1.00 0.00 C ATOM 716 CD1 PHE A 47 11.089 0.467 0.439 1.00 0.00 C ATOM 717 CD2 PHE A 47 9.803 0.327 -1.564 1.00 0.00 C ATOM 718 CE1 PHE A 47 12.018 1.259 -0.209 1.00 0.00 C ATOM 719 CE2 PHE A 47 10.729 1.118 -2.218 1.00 0.00 C ATOM 720 CZ PHE A 47 11.838 1.584 -1.540 1.00 0.00 C ATOM 0 H PHE A 47 6.623 -1.380 1.093 1.00 0.00 H new ATOM 0 HA PHE A 47 8.810 -0.261 2.534 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.467 -1.747 0.878 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.230 -1.221 -0.246 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.235 0.215 1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.938 -0.035 -2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 47 12.884 1.623 0.324 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.585 1.371 -3.258 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.563 2.201 -2.049 1.00 0.00 H new ATOM 730 N TRP A 48 7.259 1.674 0.345 1.00 0.00 N ATOM 731 CA TRP A 48 7.057 3.062 -0.053 1.00 0.00 C ATOM 732 C TRP A 48 6.815 3.948 1.164 1.00 0.00 C ATOM 733 O TRP A 48 7.601 4.851 1.454 1.00 0.00 O ATOM 734 CB TRP A 48 5.877 3.170 -1.020 1.00 0.00 C ATOM 735 CG TRP A 48 5.828 4.476 -1.754 1.00 0.00 C ATOM 736 CD1 TRP A 48 6.645 4.875 -2.773 1.00 0.00 C ATOM 737 CD2 TRP A 48 4.915 5.554 -1.524 1.00 0.00 C ATOM 738 NE1 TRP A 48 6.295 6.136 -3.190 1.00 0.00 N ATOM 739 CE2 TRP A 48 5.236 6.575 -2.440 1.00 0.00 C ATOM 740 CE3 TRP A 48 3.856 5.757 -0.635 1.00 0.00 C ATOM 741 CZ2 TRP A 48 4.537 7.778 -2.490 1.00 0.00 C ATOM 742 CZ3 TRP A 48 3.163 6.951 -0.685 1.00 0.00 C ATOM 743 CH2 TRP A 48 3.505 7.949 -1.608 1.00 0.00 C ATOM 0 H TRP A 48 6.687 1.001 -0.165 1.00 0.00 H new ATOM 0 HA TRP A 48 7.962 3.405 -0.555 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.934 2.357 -1.744 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.948 3.038 -0.465 1.00 0.00 H new ATOM 0 HD1 TRP A 48 7.448 4.286 -3.190 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.750 6.661 -3.937 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.584 4.994 0.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.800 8.549 -3.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.344 7.118 -0.001 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.943 8.871 -1.623 1.00 0.00 H new ATOM 754 N LEU A 49 5.724 3.685 1.875 1.00 0.00 N ATOM 755 CA LEU A 49 5.379 4.459 3.062 1.00 0.00 C ATOM 756 C LEU A 49 6.587 4.618 3.979 1.00 0.00 C ATOM 757 O LEU A 49 6.879 5.715 4.453 1.00 0.00 O ATOM 758 CB LEU A 49 4.234 3.784 3.820 1.00 0.00 C ATOM 759 CG LEU A 49 2.870 3.801 3.130 1.00 0.00 C ATOM 760 CD1 LEU A 49 1.867 2.966 3.910 1.00 0.00 C ATOM 761 CD2 LEU A 49 2.369 5.230 2.974 1.00 0.00 C ATOM 0 H LEU A 49 5.063 2.941 1.650 1.00 0.00 H new ATOM 0 HA LEU A 49 5.059 5.450 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.511 2.747 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.133 4.268 4.792 1.00 0.00 H new ATOM 0 HG LEU A 49 2.981 3.365 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.902 2.990 3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.220 1.936 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.759 3.372 4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.397 5.223 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.274 5.692 3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.077 5.800 2.372 1.00 0.00 H new ATOM 773 N ALA A 50 7.287 3.515 4.223 1.00 0.00 N ATOM 774 CA ALA A 50 8.467 3.532 5.079 1.00 0.00 C ATOM 775 C ALA A 50 9.414 4.661 4.686 1.00 0.00 C ATOM 776 O ALA A 50 9.949 5.363 5.544 1.00 0.00 O ATOM 777 CB ALA A 50 9.184 2.192 5.016 1.00 0.00 C ATOM 0 H ALA A 50 7.057 2.598 3.840 1.00 0.00 H new ATOM 0 HA ALA A 50 8.140 3.708 6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.063 2.219 5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.511 1.403 5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.492 1.992 3.990 1.00 0.00 H new ATOM 783 N VAL A 51 9.618 4.829 3.383 1.00 0.00 N ATOM 784 CA VAL A 51 10.501 5.872 2.876 1.00 0.00 C ATOM 785 C VAL A 51 9.949 7.259 3.189 1.00 0.00 C ATOM 786 O VAL A 51 10.630 8.086 3.794 1.00 0.00 O ATOM 787 CB VAL A 51 10.705 5.745 1.355 1.00 0.00 C ATOM 788 CG1 VAL A 51 11.624 6.845 0.845 1.00 0.00 C ATOM 789 CG2 VAL A 51 11.259 4.371 1.005 1.00 0.00 C ATOM 0 H VAL A 51 9.183 4.256 2.660 1.00 0.00 H new ATOM 0 HA VAL A 51 11.461 5.744 3.376 1.00 0.00 H new ATOM 0 HB VAL A 51 9.738 5.857 0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.756 6.739 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.183 7.818 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.593 6.768 1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.397 4.298 -0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.217 4.227 1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.560 3.602 1.334 1.00 0.00 H new ATOM 799 N GLU A 52 8.711 7.505 2.773 1.00 0.00 N ATOM 800 CA GLU A 52 8.068 8.792 3.009 1.00 0.00 C ATOM 801 C GLU A 52 8.360 9.295 4.420 1.00 0.00 C ATOM 802 O GLU A 52 8.631 10.479 4.624 1.00 0.00 O ATOM 803 CB GLU A 52 6.557 8.679 2.799 1.00 0.00 C ATOM 804 CG GLU A 52 6.129 8.852 1.352 1.00 0.00 C ATOM 805 CD GLU A 52 6.398 10.250 0.827 1.00 0.00 C ATOM 806 OE1 GLU A 52 5.727 11.197 1.289 1.00 0.00 O ATOM 807 OE2 GLU A 52 7.280 10.395 -0.044 1.00 0.00 O ATOM 0 H GLU A 52 8.134 6.830 2.271 1.00 0.00 H new ATOM 0 HA GLU A 52 8.474 9.508 2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.221 7.705 3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.057 9.431 3.409 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.657 8.127 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.065 8.633 1.263 1.00 0.00 H new ATOM 814 N ASP A 53 8.303 8.388 5.389 1.00 0.00 N ATOM 815 CA ASP A 53 8.562 8.739 6.780 1.00 0.00 C ATOM 816 C ASP A 53 10.056 8.927 7.024 1.00 0.00 C ATOM 817 O ASP A 53 10.472 9.873 7.695 1.00 0.00 O ATOM 818 CB ASP A 53 8.013 7.657 7.712 1.00 0.00 C ATOM 819 CG ASP A 53 7.796 8.164 9.124 1.00 0.00 C ATOM 820 OD1 ASP A 53 8.697 8.847 9.654 1.00 0.00 O ATOM 821 OD2 ASP A 53 6.724 7.879 9.698 1.00 0.00 O ATOM 0 H ASP A 53 8.080 7.404 5.237 1.00 0.00 H new ATOM 0 HA ASP A 53 8.056 9.681 6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.069 7.284 7.314 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.705 6.815 7.734 1.00 0.00 H new ATOM 826 N LEU A 54 10.858 8.021 6.478 1.00 0.00 N ATOM 827 CA LEU A 54 12.307 8.086 6.637 1.00 0.00 C ATOM 828 C LEU A 54 12.786 9.534 6.677 1.00 0.00 C ATOM 829 O LEU A 54 13.291 10.004 7.697 1.00 0.00 O ATOM 830 CB LEU A 54 12.999 7.340 5.495 1.00 0.00 C ATOM 831 CG LEU A 54 14.528 7.377 5.498 1.00 0.00 C ATOM 832 CD1 LEU A 54 15.078 6.623 6.699 1.00 0.00 C ATOM 833 CD2 LEU A 54 15.078 6.796 4.204 1.00 0.00 C ATOM 0 H LEU A 54 10.530 7.232 5.921 1.00 0.00 H new ATOM 0 HA LEU A 54 12.566 7.611 7.583 1.00 0.00 H new ATOM 0 HB2 LEU A 54 12.681 6.298 5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.647 7.755 4.551 1.00 0.00 H new ATOM 0 HG LEU A 54 14.847 8.417 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.167 6.660 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.712 7.083 7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 54 14.750 5.584 6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.167 6.830 4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.749 5.762 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.712 7.379 3.359 1.00 0.00 H new ATOM 845 N LYS A 55 12.621 10.237 5.562 1.00 0.00 N ATOM 846 CA LYS A 55 13.033 11.633 5.469 1.00 0.00 C ATOM 847 C LYS A 55 12.511 12.434 6.657 1.00 0.00 C ATOM 848 O LYS A 55 13.260 13.168 7.302 1.00 0.00 O ATOM 849 CB LYS A 55 12.527 12.249 4.163 1.00 0.00 C ATOM 850 CG LYS A 55 11.020 12.166 3.994 1.00 0.00 C ATOM 851 CD LYS A 55 10.593 12.566 2.592 1.00 0.00 C ATOM 852 CE LYS A 55 10.755 11.415 1.611 1.00 0.00 C ATOM 853 NZ LYS A 55 10.835 11.894 0.203 1.00 0.00 N ATOM 0 H LYS A 55 12.205 9.863 4.709 1.00 0.00 H new ATOM 0 HA LYS A 55 14.122 11.666 5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.831 13.295 4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.006 11.745 3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.685 11.150 4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.535 12.816 4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.552 12.890 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.187 13.417 2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.657 10.854 1.855 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.914 10.729 1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.945 11.080 -0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.964 12.408 -0.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.652 12.529 0.098 1.00 0.00 H new ATOM 867 N LYS A 56 11.222 12.287 6.943 1.00 0.00 N ATOM 868 CA LYS A 56 10.599 12.995 8.056 1.00 0.00 C ATOM 869 C LYS A 56 11.380 12.773 9.347 1.00 0.00 C ATOM 870 O LYS A 56 11.559 13.696 10.142 1.00 0.00 O ATOM 871 CB LYS A 56 9.152 12.530 8.237 1.00 0.00 C ATOM 872 CG LYS A 56 8.290 12.734 7.003 1.00 0.00 C ATOM 873 CD LYS A 56 8.053 14.209 6.725 1.00 0.00 C ATOM 874 CE LYS A 56 7.633 14.444 5.283 1.00 0.00 C ATOM 875 NZ LYS A 56 6.210 14.071 5.051 1.00 0.00 N ATOM 0 H LYS A 56 10.588 11.684 6.419 1.00 0.00 H new ATOM 0 HA LYS A 56 10.606 14.060 7.826 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.149 11.473 8.501 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.708 13.069 9.074 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.773 12.273 6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.333 12.230 7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.282 14.587 7.396 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.963 14.771 6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.779 15.494 5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.273 13.863 4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.963 14.246 4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.075 13.063 5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.597 14.643 5.666 1.00 0.00 H new ATOM 889 N ARG A 57 11.845 11.544 9.549 1.00 0.00 N ATOM 890 CA ARG A 57 12.607 11.202 10.744 1.00 0.00 C ATOM 891 C ARG A 57 13.790 12.149 10.923 1.00 0.00 C ATOM 892 O ARG A 57 14.320 12.708 9.963 1.00 0.00 O ATOM 893 CB ARG A 57 13.104 9.758 10.661 1.00 0.00 C ATOM 894 CG ARG A 57 11.991 8.739 10.480 1.00 0.00 C ATOM 895 CD ARG A 57 11.381 8.337 11.814 1.00 0.00 C ATOM 896 NE ARG A 57 10.328 7.338 11.655 1.00 0.00 N ATOM 897 CZ ARG A 57 9.824 6.635 12.664 1.00 0.00 C ATOM 898 NH1 ARG A 57 10.275 6.822 13.897 1.00 0.00 N ATOM 899 NH2 ARG A 57 8.867 5.744 12.440 1.00 0.00 N ATOM 0 H ARG A 57 11.707 10.769 8.900 1.00 0.00 H new ATOM 0 HA ARG A 57 11.948 11.303 11.607 1.00 0.00 H new ATOM 0 HB2 ARG A 57 13.803 9.671 9.829 1.00 0.00 H new ATOM 0 HB3 ARG A 57 13.658 9.521 11.569 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.217 9.155 9.835 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.384 7.855 9.977 1.00 0.00 H new ATOM 0 HD2 ARG A 57 12.161 7.941 12.465 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.972 9.219 12.306 1.00 0.00 H new ATOM 0 HE ARG A 57 9.959 7.171 10.719 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.010 7.507 14.073 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.886 6.281 14.670 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.518 5.598 11.493 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.481 5.205 13.215 1.00 0.00 H new ATOM 913 N PRO A 58 14.214 12.335 12.182 1.00 0.00 N ATOM 914 CA PRO A 58 15.338 13.214 12.518 1.00 0.00 C ATOM 915 C PRO A 58 16.674 12.651 12.047 1.00 0.00 C ATOM 916 O PRO A 58 16.786 11.462 11.744 1.00 0.00 O ATOM 917 CB PRO A 58 15.293 13.278 14.047 1.00 0.00 C ATOM 918 CG PRO A 58 14.621 12.015 14.460 1.00 0.00 C ATOM 919 CD PRO A 58 13.628 11.700 13.375 1.00 0.00 C ATOM 0 HA PRO A 58 15.254 14.187 12.035 1.00 0.00 H new ATOM 0 HB2 PRO A 58 16.295 13.350 14.470 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.739 14.152 14.390 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.344 11.207 14.574 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.123 12.135 15.422 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.508 10.625 13.240 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.642 12.105 13.603 1.00 0.00 H new ATOM 927 N ILE A 59 17.686 13.510 11.989 1.00 0.00 N ATOM 928 CA ILE A 59 19.015 13.097 11.557 1.00 0.00 C ATOM 929 C ILE A 59 19.526 11.928 12.391 1.00 0.00 C ATOM 930 O ILE A 59 20.309 11.106 11.915 1.00 0.00 O ATOM 931 CB ILE A 59 20.023 14.258 11.649 1.00 0.00 C ATOM 932 CG1 ILE A 59 21.267 13.950 10.812 1.00 0.00 C ATOM 933 CG2 ILE A 59 20.404 14.514 13.100 1.00 0.00 C ATOM 934 CD1 ILE A 59 22.209 12.966 11.470 1.00 0.00 C ATOM 0 H ILE A 59 17.611 14.497 12.236 1.00 0.00 H new ATOM 0 HA ILE A 59 18.926 12.786 10.516 1.00 0.00 H new ATOM 0 HB ILE A 59 19.555 15.159 11.252 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.956 13.552 9.846 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.803 14.879 10.617 1.00 0.00 H new ATOM 0 HG21 ILE A 59 21.117 15.337 13.149 1.00 0.00 H new ATOM 0 HG22 ILE A 59 19.512 14.772 13.670 1.00 0.00 H new ATOM 0 HG23 ILE A 59 20.857 13.616 13.521 1.00 0.00 H new ATOM 0 HD11 ILE A 59 23.068 12.795 10.821 1.00 0.00 H new ATOM 0 HD12 ILE A 59 22.550 13.370 12.423 1.00 0.00 H new ATOM 0 HD13 ILE A 59 21.689 12.023 11.640 1.00 0.00 H new ATOM 946 N LYS A 60 19.076 11.857 13.639 1.00 0.00 N ATOM 947 CA LYS A 60 19.483 10.787 14.541 1.00 0.00 C ATOM 948 C LYS A 60 18.841 9.463 14.139 1.00 0.00 C ATOM 949 O LYS A 60 19.426 8.397 14.328 1.00 0.00 O ATOM 950 CB LYS A 60 19.103 11.133 15.982 1.00 0.00 C ATOM 951 CG LYS A 60 17.608 11.300 16.194 1.00 0.00 C ATOM 952 CD LYS A 60 17.308 12.349 17.252 1.00 0.00 C ATOM 953 CE LYS A 60 18.224 12.201 18.458 1.00 0.00 C ATOM 954 NZ LYS A 60 17.589 12.718 19.702 1.00 0.00 N ATOM 0 H LYS A 60 18.428 12.529 14.049 1.00 0.00 H new ATOM 0 HA LYS A 60 20.566 10.682 14.473 1.00 0.00 H new ATOM 0 HB2 LYS A 60 19.470 10.348 16.644 1.00 0.00 H new ATOM 0 HB3 LYS A 60 19.608 12.055 16.270 1.00 0.00 H new ATOM 0 HG2 LYS A 60 17.136 11.585 15.254 1.00 0.00 H new ATOM 0 HG3 LYS A 60 17.173 10.346 16.493 1.00 0.00 H new ATOM 0 HD2 LYS A 60 17.427 13.344 16.823 1.00 0.00 H new ATOM 0 HD3 LYS A 60 16.269 12.261 17.570 1.00 0.00 H new ATOM 0 HE2 LYS A 60 18.482 11.150 18.591 1.00 0.00 H new ATOM 0 HE3 LYS A 60 19.155 12.737 18.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 18.244 12.600 20.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.365 13.727 19.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.714 12.189 19.891 1.00 0.00 H new ATOM 968 N GLU A 61 17.636 9.539 13.583 1.00 0.00 N ATOM 969 CA GLU A 61 16.916 8.346 13.154 1.00 0.00 C ATOM 970 C GLU A 61 16.877 8.252 11.632 1.00 0.00 C ATOM 971 O GLU A 61 16.154 7.430 11.068 1.00 0.00 O ATOM 972 CB GLU A 61 15.492 8.354 13.712 1.00 0.00 C ATOM 973 CG GLU A 61 15.427 8.166 15.219 1.00 0.00 C ATOM 974 CD GLU A 61 15.960 6.817 15.661 1.00 0.00 C ATOM 975 OE1 GLU A 61 15.239 5.811 15.492 1.00 0.00 O ATOM 976 OE2 GLU A 61 17.096 6.767 16.177 1.00 0.00 O ATOM 0 H GLU A 61 17.138 10.414 13.419 1.00 0.00 H new ATOM 0 HA GLU A 61 17.445 7.475 13.541 1.00 0.00 H new ATOM 0 HB2 GLU A 61 15.014 9.298 13.451 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.918 7.562 13.231 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.000 8.956 15.705 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.394 8.271 15.550 1.00 0.00 H new ATOM 983 N VAL A 62 17.660 9.100 10.972 1.00 0.00 N ATOM 984 CA VAL A 62 17.716 9.113 9.515 1.00 0.00 C ATOM 985 C VAL A 62 18.476 7.903 8.983 1.00 0.00 C ATOM 986 O VAL A 62 17.951 7.098 8.214 1.00 0.00 O ATOM 987 CB VAL A 62 18.386 10.397 8.991 1.00 0.00 C ATOM 988 CG1 VAL A 62 19.130 10.120 7.693 1.00 0.00 C ATOM 989 CG2 VAL A 62 17.352 11.496 8.798 1.00 0.00 C ATOM 0 H VAL A 62 18.264 9.787 11.423 1.00 0.00 H new ATOM 0 HA VAL A 62 16.687 9.077 9.158 1.00 0.00 H new ATOM 0 HB VAL A 62 19.110 10.736 9.731 1.00 0.00 H new ATOM 0 HG11 VAL A 62 19.597 11.039 7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 62 19.898 9.367 7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 62 18.429 9.756 6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 62 17.843 12.396 8.427 1.00 0.00 H new ATOM 0 HG22 VAL A 62 16.603 11.168 8.077 1.00 0.00 H new ATOM 0 HG23 VAL A 62 16.869 11.712 9.751 1.00 0.00 H new ATOM 999 N PRO A 63 19.743 7.769 9.402 1.00 0.00 N ATOM 1000 CA PRO A 63 20.603 6.658 8.982 1.00 0.00 C ATOM 1001 C PRO A 63 20.161 5.326 9.577 1.00 0.00 C ATOM 1002 O PRO A 63 19.994 4.339 8.860 1.00 0.00 O ATOM 1003 CB PRO A 63 21.981 7.054 9.518 1.00 0.00 C ATOM 1004 CG PRO A 63 21.695 7.951 10.672 1.00 0.00 C ATOM 1005 CD PRO A 63 20.434 8.691 10.320 1.00 0.00 C ATOM 0 HA PRO A 63 20.578 6.508 7.903 1.00 0.00 H new ATOM 0 HB2 PRO A 63 22.551 6.179 9.829 1.00 0.00 H new ATOM 0 HB3 PRO A 63 22.570 7.564 8.756 1.00 0.00 H new ATOM 0 HG2 PRO A 63 21.567 7.377 11.590 1.00 0.00 H new ATOM 0 HG3 PRO A 63 22.519 8.644 10.841 1.00 0.00 H new ATOM 0 HD2 PRO A 63 19.833 8.904 11.204 1.00 0.00 H new ATOM 0 HD3 PRO A 63 20.649 9.647 9.843 1.00 0.00 H new ATOM 1013 N SER A 64 19.974 5.304 10.893 1.00 0.00 N ATOM 1014 CA SER A 64 19.555 4.091 11.585 1.00 0.00 C ATOM 1015 C SER A 64 18.475 3.359 10.794 1.00 0.00 C ATOM 1016 O SER A 64 18.443 2.129 10.758 1.00 0.00 O ATOM 1017 CB SER A 64 19.037 4.430 12.984 1.00 0.00 C ATOM 1018 OG SER A 64 20.022 5.110 13.742 1.00 0.00 O ATOM 0 H SER A 64 20.106 6.112 11.501 1.00 0.00 H new ATOM 0 HA SER A 64 20.422 3.436 11.675 1.00 0.00 H new ATOM 0 HB2 SER A 64 18.144 5.049 12.904 1.00 0.00 H new ATOM 0 HB3 SER A 64 18.745 3.515 13.499 1.00 0.00 H new ATOM 0 HG SER A 64 19.666 5.317 14.631 1.00 0.00 H new ATOM 1024 N ARG A 65 17.593 4.125 10.161 1.00 0.00 N ATOM 1025 CA ARG A 65 16.511 3.551 9.370 1.00 0.00 C ATOM 1026 C ARG A 65 16.999 3.167 7.977 1.00 0.00 C ATOM 1027 O ARG A 65 16.663 2.101 7.461 1.00 0.00 O ATOM 1028 CB ARG A 65 15.350 4.541 9.261 1.00 0.00 C ATOM 1029 CG ARG A 65 14.322 4.400 10.372 1.00 0.00 C ATOM 1030 CD ARG A 65 13.562 3.087 10.264 1.00 0.00 C ATOM 1031 NE ARG A 65 12.215 3.188 10.819 1.00 0.00 N ATOM 1032 CZ ARG A 65 11.932 2.996 12.103 1.00 0.00 C ATOM 1033 NH1 ARG A 65 12.898 2.695 12.960 1.00 0.00 N ATOM 1034 NH2 ARG A 65 10.681 3.105 12.532 1.00 0.00 N ATOM 0 H ARG A 65 17.606 5.145 10.180 1.00 0.00 H new ATOM 0 HA ARG A 65 16.165 2.649 9.875 1.00 0.00 H new ATOM 0 HB2 ARG A 65 15.747 5.556 9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 65 14.855 4.403 8.300 1.00 0.00 H new ATOM 0 HG2 ARG A 65 14.821 4.455 11.340 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.620 5.233 10.328 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.502 2.788 9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 65 14.112 2.305 10.788 1.00 0.00 H new ATOM 0 HE ARG A 65 11.449 3.419 10.186 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.861 2.610 12.634 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.678 2.548 13.945 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.935 3.336 11.876 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.465 2.957 13.518 1.00 0.00 H new ATOM 1048 N VAL A 66 17.794 4.045 7.372 1.00 0.00 N ATOM 1049 CA VAL A 66 18.329 3.798 6.038 1.00 0.00 C ATOM 1050 C VAL A 66 18.576 2.311 5.811 1.00 0.00 C ATOM 1051 O VAL A 66 17.923 1.684 4.977 1.00 0.00 O ATOM 1052 CB VAL A 66 19.645 4.566 5.811 1.00 0.00 C ATOM 1053 CG1 VAL A 66 20.394 4.000 4.614 1.00 0.00 C ATOM 1054 CG2 VAL A 66 19.369 6.050 5.624 1.00 0.00 C ATOM 0 H VAL A 66 18.081 4.933 7.784 1.00 0.00 H new ATOM 0 HA VAL A 66 17.582 4.152 5.327 1.00 0.00 H new ATOM 0 HB VAL A 66 20.274 4.444 6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 66 21.321 4.555 4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 66 20.624 2.950 4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.774 4.089 3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 66 20.309 6.578 5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 66 18.721 6.193 4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 66 18.878 6.444 6.514 1.00 0.00 H new ATOM 1064 N GLN A 67 19.522 1.753 6.559 1.00 0.00 N ATOM 1065 CA GLN A 67 19.856 0.338 6.439 1.00 0.00 C ATOM 1066 C GLN A 67 18.654 -0.535 6.785 1.00 0.00 C ATOM 1067 O GLN A 67 18.315 -1.460 6.047 1.00 0.00 O ATOM 1068 CB GLN A 67 21.033 -0.009 7.351 1.00 0.00 C ATOM 1069 CG GLN A 67 20.674 -0.031 8.828 1.00 0.00 C ATOM 1070 CD GLN A 67 21.884 -0.225 9.720 1.00 0.00 C ATOM 1071 OE1 GLN A 67 22.081 -1.296 10.294 1.00 0.00 O ATOM 1072 NE2 GLN A 67 22.702 0.814 9.842 1.00 0.00 N ATOM 0 H GLN A 67 20.071 2.258 7.254 1.00 0.00 H new ATOM 0 HA GLN A 67 20.138 0.143 5.404 1.00 0.00 H new ATOM 0 HB2 GLN A 67 21.426 -0.985 7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 67 21.832 0.715 7.191 1.00 0.00 H new ATOM 0 HG2 GLN A 67 20.179 0.904 9.092 1.00 0.00 H new ATOM 0 HG3 GLN A 67 19.959 -0.833 9.012 1.00 0.00 H new ATOM 0 HE21 GLN A 67 22.500 1.683 9.348 1.00 0.00 H new ATOM 0 HE22 GLN A 67 23.532 0.743 10.430 1.00 0.00 H new ATOM 1081 N GLU A 68 18.015 -0.235 7.912 1.00 0.00 N ATOM 1082 CA GLU A 68 16.853 -0.995 8.355 1.00 0.00 C ATOM 1083 C GLU A 68 15.873 -1.210 7.205 1.00 0.00 C ATOM 1084 O GLU A 68 15.623 -2.343 6.793 1.00 0.00 O ATOM 1085 CB GLU A 68 16.152 -0.271 9.507 1.00 0.00 C ATOM 1086 CG GLU A 68 16.882 -0.392 10.835 1.00 0.00 C ATOM 1087 CD GLU A 68 16.980 -1.826 11.318 1.00 0.00 C ATOM 1088 OE1 GLU A 68 16.124 -2.645 10.922 1.00 0.00 O ATOM 1089 OE2 GLU A 68 17.912 -2.130 12.091 1.00 0.00 O ATOM 0 H GLU A 68 18.283 0.528 8.534 1.00 0.00 H new ATOM 0 HA GLU A 68 17.198 -1.969 8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.049 0.784 9.253 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.144 -0.672 9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.885 0.023 10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.365 0.206 11.586 1.00 0.00 H new ATOM 1096 N ILE A 69 15.320 -0.116 6.694 1.00 0.00 N ATOM 1097 CA ILE A 69 14.369 -0.185 5.592 1.00 0.00 C ATOM 1098 C ILE A 69 14.883 -1.089 4.477 1.00 0.00 C ATOM 1099 O ILE A 69 14.138 -1.905 3.933 1.00 0.00 O ATOM 1100 CB ILE A 69 14.078 1.212 5.011 1.00 0.00 C ATOM 1101 CG1 ILE A 69 13.442 2.109 6.075 1.00 0.00 C ATOM 1102 CG2 ILE A 69 13.171 1.101 3.794 1.00 0.00 C ATOM 1103 CD1 ILE A 69 13.717 3.581 5.868 1.00 0.00 C ATOM 0 H ILE A 69 15.514 0.829 7.025 1.00 0.00 H new ATOM 0 HA ILE A 69 13.447 -0.601 5.998 1.00 0.00 H new ATOM 0 HB ILE A 69 15.020 1.662 4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.364 1.946 6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.812 1.813 7.057 1.00 0.00 H new ATOM 0 HG21 ILE A 69 12.974 2.096 3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.658 0.494 3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.230 0.634 4.083 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.236 4.156 6.659 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.792 3.757 5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.322 3.893 4.901 1.00 0.00 H new ATOM 1115 N TRP A 70 16.159 -0.940 4.143 1.00 0.00 N ATOM 1116 CA TRP A 70 16.774 -1.746 3.094 1.00 0.00 C ATOM 1117 C TRP A 70 16.966 -3.186 3.555 1.00 0.00 C ATOM 1118 O TRP A 70 17.139 -4.090 2.739 1.00 0.00 O ATOM 1119 CB TRP A 70 18.119 -1.145 2.684 1.00 0.00 C ATOM 1120 CG TRP A 70 19.177 -2.176 2.430 1.00 0.00 C ATOM 1121 CD1 TRP A 70 19.835 -2.922 3.365 1.00 0.00 C ATOM 1122 CD2 TRP A 70 19.700 -2.572 1.157 1.00 0.00 C ATOM 1123 NE1 TRP A 70 20.736 -3.759 2.750 1.00 0.00 N ATOM 1124 CE2 TRP A 70 20.671 -3.563 1.396 1.00 0.00 C ATOM 1125 CE3 TRP A 70 19.441 -2.187 -0.161 1.00 0.00 C ATOM 1126 CZ2 TRP A 70 21.382 -4.172 0.365 1.00 0.00 C ATOM 1127 CZ3 TRP A 70 20.147 -2.791 -1.183 1.00 0.00 C ATOM 1128 CH2 TRP A 70 21.108 -3.776 -0.916 1.00 0.00 C ATOM 0 H TRP A 70 16.789 -0.269 4.583 1.00 0.00 H new ATOM 0 HA TRP A 70 16.106 -1.747 2.232 1.00 0.00 H new ATOM 0 HB2 TRP A 70 17.982 -0.546 1.784 1.00 0.00 H new ATOM 0 HB3 TRP A 70 18.461 -0.469 3.468 1.00 0.00 H new ATOM 0 HD1 TRP A 70 19.672 -2.863 4.431 1.00 0.00 H new ATOM 0 HE1 TRP A 70 21.352 -4.419 3.225 1.00 0.00 H new ATOM 0 HE3 TRP A 70 18.701 -1.430 -0.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 22.124 -4.930 0.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 19.955 -2.499 -2.205 1.00 0.00 H new ATOM 0 HH2 TRP A 70 21.642 -4.231 -1.737 1.00 0.00 H new ATOM 1139 N GLN A 71 16.933 -3.392 4.868 1.00 0.00 N ATOM 1140 CA GLN A 71 17.104 -4.723 5.437 1.00 0.00 C ATOM 1141 C GLN A 71 15.756 -5.410 5.629 1.00 0.00 C ATOM 1142 O GLN A 71 15.692 -6.560 6.063 1.00 0.00 O ATOM 1143 CB GLN A 71 17.842 -4.639 6.774 1.00 0.00 C ATOM 1144 CG GLN A 71 19.326 -4.339 6.632 1.00 0.00 C ATOM 1145 CD GLN A 71 20.154 -4.947 7.747 1.00 0.00 C ATOM 1146 OE1 GLN A 71 19.688 -5.081 8.879 1.00 0.00 O ATOM 1147 NE2 GLN A 71 21.389 -5.318 7.432 1.00 0.00 N ATOM 0 H GLN A 71 16.789 -2.654 5.557 1.00 0.00 H new ATOM 0 HA GLN A 71 17.697 -5.315 4.740 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.380 -3.865 7.386 1.00 0.00 H new ATOM 0 HB3 GLN A 71 17.720 -5.582 7.307 1.00 0.00 H new ATOM 0 HG2 GLN A 71 19.679 -4.719 5.674 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.475 -3.259 6.621 1.00 0.00 H new ATOM 0 HE21 GLN A 71 21.734 -5.188 6.481 1.00 0.00 H new ATOM 0 HE22 GLN A 71 21.993 -5.733 8.141 1.00 0.00 H new ATOM 1156 N GLU A 72 14.682 -4.698 5.303 1.00 0.00 N ATOM 1157 CA GLU A 72 13.336 -5.240 5.441 1.00 0.00 C ATOM 1158 C GLU A 72 12.739 -5.569 4.076 1.00 0.00 C ATOM 1159 O GLU A 72 12.061 -6.584 3.911 1.00 0.00 O ATOM 1160 CB GLU A 72 12.435 -4.246 6.177 1.00 0.00 C ATOM 1161 CG GLU A 72 11.004 -4.728 6.343 1.00 0.00 C ATOM 1162 CD GLU A 72 10.351 -4.196 7.604 1.00 0.00 C ATOM 1163 OE1 GLU A 72 10.257 -2.959 7.747 1.00 0.00 O ATOM 1164 OE2 GLU A 72 9.934 -5.017 8.447 1.00 0.00 O ATOM 0 H GLU A 72 14.718 -3.745 4.942 1.00 0.00 H new ATOM 0 HA GLU A 72 13.401 -6.160 6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.858 -4.045 7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.430 -3.301 5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.418 -4.420 5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.992 -5.818 6.364 1.00 0.00 H new ATOM 1171 N PHE A 73 12.995 -4.704 3.100 1.00 0.00 N ATOM 1172 CA PHE A 73 12.482 -4.901 1.749 1.00 0.00 C ATOM 1173 C PHE A 73 13.626 -5.053 0.750 1.00 0.00 C ATOM 1174 O PHE A 73 13.577 -5.900 -0.142 1.00 0.00 O ATOM 1175 CB PHE A 73 11.588 -3.728 1.344 1.00 0.00 C ATOM 1176 CG PHE A 73 10.614 -3.319 2.412 1.00 0.00 C ATOM 1177 CD1 PHE A 73 11.047 -2.641 3.540 1.00 0.00 C ATOM 1178 CD2 PHE A 73 9.266 -3.614 2.288 1.00 0.00 C ATOM 1179 CE1 PHE A 73 10.153 -2.265 4.525 1.00 0.00 C ATOM 1180 CE2 PHE A 73 8.367 -3.240 3.269 1.00 0.00 C ATOM 1181 CZ PHE A 73 8.811 -2.563 4.389 1.00 0.00 C ATOM 0 H PHE A 73 13.555 -3.860 3.219 1.00 0.00 H new ATOM 0 HA PHE A 73 11.892 -5.817 1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.216 -2.874 1.090 1.00 0.00 H new ATOM 0 HB3 PHE A 73 11.036 -3.997 0.444 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.095 -2.404 3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.914 -4.142 1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.504 -1.739 5.400 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.319 -3.477 3.160 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.110 -2.268 5.156 1.00 0.00 H new ATOM 1191 N LEU A 74 14.653 -4.225 0.907 1.00 0.00 N ATOM 1192 CA LEU A 74 15.810 -4.266 0.019 1.00 0.00 C ATOM 1193 C LEU A 74 16.834 -5.287 0.504 1.00 0.00 C ATOM 1194 O LEU A 74 17.997 -5.253 0.103 1.00 0.00 O ATOM 1195 CB LEU A 74 16.456 -2.882 -0.073 1.00 0.00 C ATOM 1196 CG LEU A 74 15.500 -1.708 -0.290 1.00 0.00 C ATOM 1197 CD1 LEU A 74 16.278 -0.419 -0.505 1.00 0.00 C ATOM 1198 CD2 LEU A 74 14.580 -1.981 -1.471 1.00 0.00 C ATOM 0 H LEU A 74 14.708 -3.518 1.640 1.00 0.00 H new ATOM 0 HA LEU A 74 15.467 -4.567 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.017 -2.703 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.177 -2.893 -0.890 1.00 0.00 H new ATOM 0 HG LEU A 74 14.887 -1.593 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.581 0.405 -0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 74 16.894 -0.216 0.371 1.00 0.00 H new ATOM 0 HD13 LEU A 74 16.917 -0.522 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 74 13.907 -1.135 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 74 15.177 -2.122 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.997 -2.881 -1.277 1.00 0.00 H new ATOM 1210 N ALA A 75 16.393 -6.194 1.369 1.00 0.00 N ATOM 1211 CA ALA A 75 17.269 -7.227 1.906 1.00 0.00 C ATOM 1212 C ALA A 75 16.874 -8.606 1.388 1.00 0.00 C ATOM 1213 O ALA A 75 15.708 -8.878 1.103 1.00 0.00 O ATOM 1214 CB ALA A 75 17.242 -7.205 3.427 1.00 0.00 C ATOM 0 H ALA A 75 15.434 -6.234 1.713 1.00 0.00 H new ATOM 0 HA ALA A 75 18.284 -7.018 1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 75 17.901 -7.982 3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 75 17.580 -6.232 3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.225 -7.385 3.775 1.00 0.00 H new ATOM 1220 N PRO A 76 17.868 -9.499 1.263 1.00 0.00 N ATOM 1221 CA PRO A 76 17.648 -10.865 0.778 1.00 0.00 C ATOM 1222 C PRO A 76 16.876 -11.718 1.779 1.00 0.00 C ATOM 1223 O PRO A 76 15.845 -12.301 1.448 1.00 0.00 O ATOM 1224 CB PRO A 76 19.067 -11.409 0.594 1.00 0.00 C ATOM 1225 CG PRO A 76 19.903 -10.612 1.536 1.00 0.00 C ATOM 1226 CD PRO A 76 19.282 -9.244 1.585 1.00 0.00 C ATOM 0 HA PRO A 76 17.049 -10.883 -0.132 1.00 0.00 H new ATOM 0 HB2 PRO A 76 19.116 -12.473 0.824 1.00 0.00 H new ATOM 0 HB3 PRO A 76 19.407 -11.290 -0.435 1.00 0.00 H new ATOM 0 HG2 PRO A 76 19.919 -11.069 2.526 1.00 0.00 H new ATOM 0 HG3 PRO A 76 20.936 -10.560 1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 76 19.394 -8.787 2.568 1.00 0.00 H new ATOM 0 HD3 PRO A 76 19.742 -8.568 0.865 1.00 0.00 H new ATOM 1234 N GLY A 77 17.382 -11.785 3.007 1.00 0.00 N ATOM 1235 CA GLY A 77 16.727 -12.569 4.038 1.00 0.00 C ATOM 1236 C GLY A 77 15.739 -11.752 4.847 1.00 0.00 C ATOM 1237 O GLY A 77 15.815 -11.712 6.074 1.00 0.00 O ATOM 0 H GLY A 77 18.234 -11.310 3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.208 -13.409 3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.480 -12.988 4.705 1.00 0.00 H new ATOM 1241 N ALA A 78 14.809 -11.098 4.158 1.00 0.00 N ATOM 1242 CA ALA A 78 13.802 -10.279 4.820 1.00 0.00 C ATOM 1243 C ALA A 78 12.394 -10.744 4.463 1.00 0.00 C ATOM 1244 O ALA A 78 12.165 -11.367 3.426 1.00 0.00 O ATOM 1245 CB ALA A 78 13.986 -8.815 4.451 1.00 0.00 C ATOM 0 H ALA A 78 14.733 -11.120 3.141 1.00 0.00 H new ATOM 0 HA ALA A 78 13.930 -10.390 5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.227 -8.215 4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.976 -8.483 4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.887 -8.697 3.372 1.00 0.00 H new ATOM 1251 N PRO A 79 11.428 -10.435 5.340 1.00 0.00 N ATOM 1252 CA PRO A 79 10.026 -10.812 5.138 1.00 0.00 C ATOM 1253 C PRO A 79 9.375 -10.035 3.998 1.00 0.00 C ATOM 1254 O PRO A 79 8.796 -10.623 3.085 1.00 0.00 O ATOM 1255 CB PRO A 79 9.367 -10.455 6.473 1.00 0.00 C ATOM 1256 CG PRO A 79 10.228 -9.384 7.046 1.00 0.00 C ATOM 1257 CD PRO A 79 11.629 -9.694 6.596 1.00 0.00 C ATOM 0 HA PRO A 79 9.922 -11.861 4.862 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.344 -10.106 6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 79 9.318 -11.320 7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.914 -8.401 6.695 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.162 -9.370 8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.210 -8.786 6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 79 12.165 -10.291 7.334 1.00 0.00 H new ATOM 1265 N SER A 80 9.475 -8.711 4.058 1.00 0.00 N ATOM 1266 CA SER A 80 8.893 -7.854 3.032 1.00 0.00 C ATOM 1267 C SER A 80 9.868 -7.652 1.875 1.00 0.00 C ATOM 1268 O SER A 80 9.721 -6.724 1.080 1.00 0.00 O ATOM 1269 CB SER A 80 8.505 -6.500 3.629 1.00 0.00 C ATOM 1270 OG SER A 80 9.347 -6.162 4.717 1.00 0.00 O ATOM 0 H SER A 80 9.953 -8.209 4.806 1.00 0.00 H new ATOM 0 HA SER A 80 7.998 -8.344 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.570 -5.729 2.862 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.468 -6.530 3.963 1.00 0.00 H new ATOM 0 HG SER A 80 10.276 -6.376 4.491 1.00 0.00 H new ATOM 1276 N ALA A 81 10.864 -8.528 1.789 1.00 0.00 N ATOM 1277 CA ALA A 81 11.862 -8.448 0.730 1.00 0.00 C ATOM 1278 C ALA A 81 11.202 -8.298 -0.636 1.00 0.00 C ATOM 1279 O ALA A 81 10.586 -9.236 -1.144 1.00 0.00 O ATOM 1280 CB ALA A 81 12.757 -9.678 0.754 1.00 0.00 C ATOM 0 H ALA A 81 11.001 -9.301 2.440 1.00 0.00 H new ATOM 0 HA ALA A 81 12.474 -7.564 0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.498 -9.605 -0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.264 -9.740 1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.151 -10.572 0.605 1.00 0.00 H new ATOM 1286 N ILE A 82 11.334 -7.115 -1.226 1.00 0.00 N ATOM 1287 CA ILE A 82 10.750 -6.844 -2.533 1.00 0.00 C ATOM 1288 C ILE A 82 11.762 -7.088 -3.648 1.00 0.00 C ATOM 1289 O ILE A 82 12.886 -7.518 -3.396 1.00 0.00 O ATOM 1290 CB ILE A 82 10.235 -5.396 -2.631 1.00 0.00 C ATOM 1291 CG1 ILE A 82 11.393 -4.408 -2.472 1.00 0.00 C ATOM 1292 CG2 ILE A 82 9.167 -5.142 -1.578 1.00 0.00 C ATOM 1293 CD1 ILE A 82 11.122 -3.055 -3.091 1.00 0.00 C ATOM 0 H ILE A 82 11.841 -6.329 -0.819 1.00 0.00 H new ATOM 0 HA ILE A 82 9.910 -7.528 -2.651 1.00 0.00 H new ATOM 0 HB ILE A 82 9.790 -5.250 -3.615 1.00 0.00 H new ATOM 0 HG12 ILE A 82 11.605 -4.277 -1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.288 -4.834 -2.926 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.813 -4.114 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 82 8.333 -5.827 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.589 -5.303 -0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.985 -2.406 -2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.939 -3.174 -4.159 1.00 0.00 H new ATOM 0 HD13 ILE A 82 10.246 -2.608 -2.620 1.00 0.00 H new ATOM 1305 N ASN A 83 11.354 -6.807 -4.882 1.00 0.00 N ATOM 1306 CA ASN A 83 12.225 -6.995 -6.036 1.00 0.00 C ATOM 1307 C ASN A 83 12.240 -5.748 -6.915 1.00 0.00 C ATOM 1308 O ASN A 83 11.188 -5.209 -7.264 1.00 0.00 O ATOM 1309 CB ASN A 83 11.769 -8.205 -6.854 1.00 0.00 C ATOM 1310 CG ASN A 83 12.708 -8.512 -8.005 1.00 0.00 C ATOM 1311 OD1 ASN A 83 13.891 -8.785 -7.800 1.00 0.00 O ATOM 1312 ND2 ASN A 83 12.183 -8.468 -9.224 1.00 0.00 N ATOM 0 H ASN A 83 10.426 -6.449 -5.108 1.00 0.00 H new ATOM 0 HA ASN A 83 13.237 -7.173 -5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.701 -9.076 -6.202 1.00 0.00 H new ATOM 0 HB3 ASN A 83 10.768 -8.020 -7.244 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.766 -8.665 -10.038 1.00 0.00 H new ATOM 0 HD22 ASN A 83 11.197 -8.237 -9.347 1.00 0.00 H new ATOM 1319 N LEU A 84 13.437 -5.296 -7.271 1.00 0.00 N ATOM 1320 CA LEU A 84 13.589 -4.113 -8.110 1.00 0.00 C ATOM 1321 C LEU A 84 14.402 -4.433 -9.361 1.00 0.00 C ATOM 1322 O LEU A 84 15.060 -5.471 -9.436 1.00 0.00 O ATOM 1323 CB LEU A 84 14.264 -2.988 -7.324 1.00 0.00 C ATOM 1324 CG LEU A 84 13.503 -2.473 -6.101 1.00 0.00 C ATOM 1325 CD1 LEU A 84 14.429 -1.685 -5.189 1.00 0.00 C ATOM 1326 CD2 LEU A 84 12.320 -1.618 -6.531 1.00 0.00 C ATOM 0 H LEU A 84 14.316 -5.731 -6.992 1.00 0.00 H new ATOM 0 HA LEU A 84 12.595 -3.787 -8.418 1.00 0.00 H new ATOM 0 HB2 LEU A 84 15.243 -3.337 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 84 14.434 -2.150 -8.001 1.00 0.00 H new ATOM 0 HG LEU A 84 13.123 -3.330 -5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 84 13.870 -1.327 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.243 -2.328 -4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 84 14.839 -0.835 -5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 84 11.790 -1.260 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.678 -0.766 -7.110 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.644 -2.214 -7.143 1.00 0.00 H new ATOM 1338 N ASP A 85 14.353 -3.535 -10.338 1.00 0.00 N ATOM 1339 CA ASP A 85 15.087 -3.720 -11.584 1.00 0.00 C ATOM 1340 C ASP A 85 16.574 -3.931 -11.313 1.00 0.00 C ATOM 1341 O ASP A 85 17.058 -3.665 -10.212 1.00 0.00 O ATOM 1342 CB ASP A 85 14.890 -2.512 -12.502 1.00 0.00 C ATOM 1343 CG ASP A 85 15.098 -2.856 -13.964 1.00 0.00 C ATOM 1344 OD1 ASP A 85 14.226 -3.537 -14.544 1.00 0.00 O ATOM 1345 OD2 ASP A 85 16.133 -2.443 -14.528 1.00 0.00 O ATOM 0 H ASP A 85 13.812 -2.671 -10.291 1.00 0.00 H new ATOM 0 HA ASP A 85 14.696 -4.609 -12.078 1.00 0.00 H new ATOM 0 HB2 ASP A 85 13.884 -2.115 -12.365 1.00 0.00 H new ATOM 0 HB3 ASP A 85 15.586 -1.724 -12.215 1.00 0.00 H new ATOM 1350 N SER A 86 17.292 -4.411 -12.322 1.00 0.00 N ATOM 1351 CA SER A 86 18.723 -4.662 -12.191 1.00 0.00 C ATOM 1352 C SER A 86 19.491 -3.355 -12.023 1.00 0.00 C ATOM 1353 O SER A 86 20.375 -3.245 -11.173 1.00 0.00 O ATOM 1354 CB SER A 86 19.244 -5.419 -13.415 1.00 0.00 C ATOM 1355 OG SER A 86 18.882 -4.758 -14.615 1.00 0.00 O ATOM 0 H SER A 86 16.907 -4.634 -13.240 1.00 0.00 H new ATOM 0 HA SER A 86 18.879 -5.272 -11.301 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.329 -5.507 -13.358 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.842 -6.432 -13.418 1.00 0.00 H new ATOM 0 HG SER A 86 19.228 -5.260 -15.382 1.00 0.00 H new ATOM 1361 N LYS A 87 19.147 -2.364 -12.839 1.00 0.00 N ATOM 1362 CA LYS A 87 19.801 -1.063 -12.783 1.00 0.00 C ATOM 1363 C LYS A 87 19.375 -0.293 -11.536 1.00 0.00 C ATOM 1364 O LYS A 87 20.200 0.322 -10.863 1.00 0.00 O ATOM 1365 CB LYS A 87 19.472 -0.248 -14.035 1.00 0.00 C ATOM 1366 CG LYS A 87 18.024 0.208 -14.101 1.00 0.00 C ATOM 1367 CD LYS A 87 17.765 1.064 -15.329 1.00 0.00 C ATOM 1368 CE LYS A 87 17.564 0.210 -16.572 1.00 0.00 C ATOM 1369 NZ LYS A 87 16.827 0.944 -17.637 1.00 0.00 N ATOM 0 H LYS A 87 18.417 -2.438 -13.548 1.00 0.00 H new ATOM 0 HA LYS A 87 20.877 -1.228 -12.738 1.00 0.00 H new ATOM 0 HB2 LYS A 87 20.122 0.627 -14.070 1.00 0.00 H new ATOM 0 HB3 LYS A 87 19.696 -0.847 -14.918 1.00 0.00 H new ATOM 0 HG2 LYS A 87 17.368 -0.662 -14.118 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.779 0.775 -13.203 1.00 0.00 H new ATOM 0 HD2 LYS A 87 16.882 1.681 -15.164 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.604 1.743 -15.484 1.00 0.00 H new ATOM 0 HE2 LYS A 87 18.534 -0.108 -16.955 1.00 0.00 H new ATOM 0 HE3 LYS A 87 17.014 -0.693 -16.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.711 0.328 -18.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.891 1.225 -17.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.363 1.793 -17.909 1.00 0.00 H new ATOM 1383 N SER A 88 18.081 -0.334 -11.235 1.00 0.00 N ATOM 1384 CA SER A 88 17.545 0.361 -10.071 1.00 0.00 C ATOM 1385 C SER A 88 18.120 -0.216 -8.781 1.00 0.00 C ATOM 1386 O SER A 88 18.807 0.477 -8.030 1.00 0.00 O ATOM 1387 CB SER A 88 16.018 0.263 -10.050 1.00 0.00 C ATOM 1388 OG SER A 88 15.450 0.920 -11.170 1.00 0.00 O ATOM 0 H SER A 88 17.385 -0.841 -11.781 1.00 0.00 H new ATOM 0 HA SER A 88 17.834 1.410 -10.140 1.00 0.00 H new ATOM 0 HB2 SER A 88 15.718 -0.785 -10.048 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.634 0.706 -9.131 1.00 0.00 H new ATOM 0 HG SER A 88 14.474 0.842 -11.135 1.00 0.00 H new ATOM 1394 N TYR A 89 17.834 -1.489 -8.530 1.00 0.00 N ATOM 1395 CA TYR A 89 18.320 -2.160 -7.331 1.00 0.00 C ATOM 1396 C TYR A 89 19.804 -1.880 -7.114 1.00 0.00 C ATOM 1397 O TYR A 89 20.227 -1.531 -6.012 1.00 0.00 O ATOM 1398 CB TYR A 89 18.083 -3.667 -7.432 1.00 0.00 C ATOM 1399 CG TYR A 89 18.277 -4.400 -6.124 1.00 0.00 C ATOM 1400 CD1 TYR A 89 17.257 -4.461 -5.182 1.00 0.00 C ATOM 1401 CD2 TYR A 89 19.479 -5.031 -5.830 1.00 0.00 C ATOM 1402 CE1 TYR A 89 17.430 -5.129 -3.985 1.00 0.00 C ATOM 1403 CE2 TYR A 89 19.660 -5.703 -4.636 1.00 0.00 C ATOM 1404 CZ TYR A 89 18.632 -5.748 -3.717 1.00 0.00 C ATOM 1405 OH TYR A 89 18.809 -6.415 -2.526 1.00 0.00 O ATOM 0 H TYR A 89 17.268 -2.077 -9.142 1.00 0.00 H new ATOM 0 HA TYR A 89 17.766 -1.769 -6.477 1.00 0.00 H new ATOM 0 HB2 TYR A 89 17.069 -3.843 -7.791 1.00 0.00 H new ATOM 0 HB3 TYR A 89 18.761 -4.084 -8.176 1.00 0.00 H new ATOM 0 HD1 TYR A 89 16.313 -3.978 -5.389 1.00 0.00 H new ATOM 0 HD2 TYR A 89 20.286 -4.996 -6.547 1.00 0.00 H new ATOM 0 HE1 TYR A 89 16.628 -5.166 -3.263 1.00 0.00 H new ATOM 0 HE2 TYR A 89 20.600 -6.190 -4.424 1.00 0.00 H new ATOM 0 HH TYR A 89 18.493 -5.854 -1.787 1.00 0.00 H new ATOM 1415 N ASP A 90 20.590 -2.037 -8.174 1.00 0.00 N ATOM 1416 CA ASP A 90 22.027 -1.800 -8.102 1.00 0.00 C ATOM 1417 C ASP A 90 22.321 -0.369 -7.662 1.00 0.00 C ATOM 1418 O ASP A 90 23.073 -0.141 -6.715 1.00 0.00 O ATOM 1419 CB ASP A 90 22.679 -2.075 -9.458 1.00 0.00 C ATOM 1420 CG ASP A 90 24.169 -2.330 -9.342 1.00 0.00 C ATOM 1421 OD1 ASP A 90 24.549 -3.370 -8.764 1.00 0.00 O ATOM 1422 OD2 ASP A 90 24.955 -1.491 -9.829 1.00 0.00 O ATOM 0 H ASP A 90 20.256 -2.327 -9.093 1.00 0.00 H new ATOM 0 HA ASP A 90 22.446 -2.481 -7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 90 22.200 -2.939 -9.920 1.00 0.00 H new ATOM 0 HB3 ASP A 90 22.509 -1.225 -10.119 1.00 0.00 H new ATOM 1427 N LYS A 91 21.723 0.593 -8.358 1.00 0.00 N ATOM 1428 CA LYS A 91 21.920 2.002 -8.041 1.00 0.00 C ATOM 1429 C LYS A 91 21.657 2.269 -6.563 1.00 0.00 C ATOM 1430 O LYS A 91 22.461 2.908 -5.884 1.00 0.00 O ATOM 1431 CB LYS A 91 20.998 2.872 -8.899 1.00 0.00 C ATOM 1432 CG LYS A 91 21.194 4.363 -8.683 1.00 0.00 C ATOM 1433 CD LYS A 91 22.490 4.851 -9.307 1.00 0.00 C ATOM 1434 CE LYS A 91 22.519 6.368 -9.416 1.00 0.00 C ATOM 1435 NZ LYS A 91 21.682 6.859 -10.546 1.00 0.00 N ATOM 0 H LYS A 91 21.098 0.422 -9.145 1.00 0.00 H new ATOM 0 HA LYS A 91 22.957 2.256 -8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 91 21.168 2.640 -9.950 1.00 0.00 H new ATOM 0 HB3 LYS A 91 19.962 2.615 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 91 20.354 4.908 -9.114 1.00 0.00 H new ATOM 0 HG3 LYS A 91 21.199 4.579 -7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 91 23.334 4.512 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 91 22.606 4.412 -10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 91 22.163 6.806 -8.483 1.00 0.00 H new ATOM 0 HE3 LYS A 91 23.547 6.703 -9.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.795 7.889 -10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.983 6.396 -11.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 20.683 6.636 -10.361 1.00 0.00 H new ATOM 1449 N THR A 92 20.527 1.774 -6.068 1.00 0.00 N ATOM 1450 CA THR A 92 20.159 1.959 -4.670 1.00 0.00 C ATOM 1451 C THR A 92 21.191 1.330 -3.742 1.00 0.00 C ATOM 1452 O THR A 92 21.698 1.981 -2.827 1.00 0.00 O ATOM 1453 CB THR A 92 18.776 1.351 -4.368 1.00 0.00 C ATOM 1454 OG1 THR A 92 17.785 1.944 -5.214 1.00 0.00 O ATOM 1455 CG2 THR A 92 18.398 1.563 -2.910 1.00 0.00 C ATOM 0 H THR A 92 19.851 1.242 -6.615 1.00 0.00 H new ATOM 0 HA THR A 92 20.122 3.034 -4.493 1.00 0.00 H new ATOM 0 HB THR A 92 18.825 0.279 -4.562 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.158 1.254 -5.516 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.418 1.125 -2.721 1.00 0.00 H new ATOM 0 HG22 THR A 92 19.139 1.085 -2.269 1.00 0.00 H new ATOM 0 HG23 THR A 92 18.366 2.631 -2.694 1.00 0.00 H new ATOM 1463 N THR A 93 21.501 0.059 -3.982 1.00 0.00 N ATOM 1464 CA THR A 93 22.473 -0.658 -3.168 1.00 0.00 C ATOM 1465 C THR A 93 23.656 0.235 -2.810 1.00 0.00 C ATOM 1466 O THR A 93 24.074 0.296 -1.653 1.00 0.00 O ATOM 1467 CB THR A 93 22.993 -1.915 -3.890 1.00 0.00 C ATOM 1468 OG1 THR A 93 21.892 -2.714 -4.336 1.00 0.00 O ATOM 1469 CG2 THR A 93 23.884 -2.738 -2.971 1.00 0.00 C ATOM 0 H THR A 93 21.092 -0.495 -4.735 1.00 0.00 H new ATOM 0 HA THR A 93 21.959 -0.959 -2.255 1.00 0.00 H new ATOM 0 HB THR A 93 23.582 -1.596 -4.750 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.557 -2.363 -5.187 1.00 0.00 H new ATOM 0 HG21 THR A 93 24.239 -3.621 -3.503 1.00 0.00 H new ATOM 0 HG22 THR A 93 24.737 -2.136 -2.656 1.00 0.00 H new ATOM 0 HG23 THR A 93 23.315 -3.047 -2.094 1.00 0.00 H new ATOM 1477 N HIS A 94 24.193 0.926 -3.811 1.00 0.00 N ATOM 1478 CA HIS A 94 25.329 1.817 -3.601 1.00 0.00 C ATOM 1479 C HIS A 94 24.928 3.017 -2.747 1.00 0.00 C ATOM 1480 O HIS A 94 25.647 3.404 -1.827 1.00 0.00 O ATOM 1481 CB HIS A 94 25.884 2.295 -4.943 1.00 0.00 C ATOM 1482 CG HIS A 94 26.809 3.467 -4.826 1.00 0.00 C ATOM 1483 ND1 HIS A 94 27.975 3.434 -4.091 1.00 0.00 N ATOM 1484 CD2 HIS A 94 26.736 4.710 -5.357 1.00 0.00 C ATOM 1485 CE1 HIS A 94 28.578 4.607 -4.173 1.00 0.00 C ATOM 1486 NE2 HIS A 94 27.847 5.399 -4.936 1.00 0.00 N ATOM 0 H HIS A 94 23.860 0.886 -4.774 1.00 0.00 H new ATOM 0 HA HIS A 94 26.103 1.260 -3.073 1.00 0.00 H new ATOM 0 HB2 HIS A 94 26.413 1.471 -5.422 1.00 0.00 H new ATOM 0 HB3 HIS A 94 25.053 2.562 -5.596 1.00 0.00 H new ATOM 0 HD2 HIS A 94 25.950 5.089 -5.993 1.00 0.00 H new ATOM 0 HE1 HIS A 94 29.510 4.873 -3.697 1.00 0.00 H new ATOM 0 HE2 HIS A 94 28.071 6.365 -5.174 1.00 0.00 H new ATOM 1494 N ASN A 95 23.775 3.600 -3.059 1.00 0.00 N ATOM 1495 CA ASN A 95 23.280 4.756 -2.321 1.00 0.00 C ATOM 1496 C ASN A 95 23.113 4.426 -0.841 1.00 0.00 C ATOM 1497 O ASN A 95 23.445 5.233 0.028 1.00 0.00 O ATOM 1498 CB ASN A 95 21.945 5.226 -2.904 1.00 0.00 C ATOM 1499 CG ASN A 95 22.119 6.003 -4.194 1.00 0.00 C ATOM 1500 OD1 ASN A 95 23.206 6.499 -4.491 1.00 0.00 O ATOM 1501 ND2 ASN A 95 21.046 6.112 -4.969 1.00 0.00 N ATOM 0 H ASN A 95 23.167 3.291 -3.817 1.00 0.00 H new ATOM 0 HA ASN A 95 24.013 5.557 -2.416 1.00 0.00 H new ATOM 0 HB2 ASN A 95 21.307 4.361 -3.087 1.00 0.00 H new ATOM 0 HB3 ASN A 95 21.432 5.851 -2.173 1.00 0.00 H new ATOM 0 HD21 ASN A 95 21.103 6.623 -5.850 1.00 0.00 H new ATOM 0 HD22 ASN A 95 20.165 5.685 -4.683 1.00 0.00 H new ATOM 1508 N VAL A 96 22.597 3.233 -0.561 1.00 0.00 N ATOM 1509 CA VAL A 96 22.387 2.795 0.814 1.00 0.00 C ATOM 1510 C VAL A 96 23.624 3.050 1.667 1.00 0.00 C ATOM 1511 O VAL A 96 23.529 3.562 2.782 1.00 0.00 O ATOM 1512 CB VAL A 96 22.033 1.297 0.877 1.00 0.00 C ATOM 1513 CG1 VAL A 96 21.934 0.832 2.322 1.00 0.00 C ATOM 1514 CG2 VAL A 96 20.736 1.024 0.130 1.00 0.00 C ATOM 0 H VAL A 96 22.317 2.553 -1.268 1.00 0.00 H new ATOM 0 HA VAL A 96 21.552 3.375 1.208 1.00 0.00 H new ATOM 0 HB VAL A 96 22.830 0.732 0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 96 21.683 -0.228 2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 96 22.890 0.991 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.158 1.400 2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 96 20.501 -0.039 0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 96 19.928 1.598 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 96 20.849 1.317 -0.914 1.00 0.00 H new ATOM 1524 N LYS A 97 24.788 2.689 1.135 1.00 0.00 N ATOM 1525 CA LYS A 97 26.046 2.880 1.846 1.00 0.00 C ATOM 1526 C LYS A 97 26.058 4.216 2.582 1.00 0.00 C ATOM 1527 O LYS A 97 26.490 4.297 3.731 1.00 0.00 O ATOM 1528 CB LYS A 97 27.222 2.814 0.868 1.00 0.00 C ATOM 1529 CG LYS A 97 27.344 1.480 0.153 1.00 0.00 C ATOM 1530 CD LYS A 97 28.796 1.120 -0.114 1.00 0.00 C ATOM 1531 CE LYS A 97 28.912 -0.058 -1.070 1.00 0.00 C ATOM 1532 NZ LYS A 97 28.967 0.383 -2.491 1.00 0.00 N ATOM 0 H LYS A 97 24.885 2.263 0.214 1.00 0.00 H new ATOM 0 HA LYS A 97 26.145 2.080 2.580 1.00 0.00 H new ATOM 0 HB2 LYS A 97 27.112 3.605 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 97 28.146 3.012 1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 97 26.880 0.699 0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 97 26.799 1.521 -0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 97 29.315 1.982 -0.533 1.00 0.00 H new ATOM 0 HD3 LYS A 97 29.290 0.877 0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 97 29.808 -0.631 -0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 97 28.061 -0.725 -0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 28.824 -0.437 -3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 28.220 1.085 -2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 29.895 0.809 -2.687 1.00 0.00 H new ATOM 1546 N GLU A 98 25.581 5.260 1.912 1.00 0.00 N ATOM 1547 CA GLU A 98 25.537 6.592 2.505 1.00 0.00 C ATOM 1548 C GLU A 98 24.116 6.950 2.933 1.00 0.00 C ATOM 1549 O GLU A 98 23.204 7.063 2.114 1.00 0.00 O ATOM 1550 CB GLU A 98 26.060 7.633 1.513 1.00 0.00 C ATOM 1551 CG GLU A 98 25.306 7.650 0.194 1.00 0.00 C ATOM 1552 CD GLU A 98 26.063 8.376 -0.901 1.00 0.00 C ATOM 1553 OE1 GLU A 98 27.157 7.904 -1.277 1.00 0.00 O ATOM 1554 OE2 GLU A 98 25.563 9.414 -1.382 1.00 0.00 O ATOM 0 H GLU A 98 25.220 5.210 0.959 1.00 0.00 H new ATOM 0 HA GLU A 98 26.175 6.590 3.389 1.00 0.00 H new ATOM 0 HB2 GLU A 98 25.998 8.621 1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 98 27.114 7.438 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 98 25.111 6.625 -0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 98 24.337 8.128 0.340 1.00 0.00 H new ATOM 1561 N PRO A 99 23.924 7.132 4.248 1.00 0.00 N ATOM 1562 CA PRO A 99 22.618 7.480 4.815 1.00 0.00 C ATOM 1563 C PRO A 99 22.189 8.899 4.456 1.00 0.00 C ATOM 1564 O PRO A 99 23.005 9.819 4.437 1.00 0.00 O ATOM 1565 CB PRO A 99 22.842 7.355 6.324 1.00 0.00 C ATOM 1566 CG PRO A 99 24.304 7.575 6.509 1.00 0.00 C ATOM 1567 CD PRO A 99 24.966 7.014 5.281 1.00 0.00 C ATOM 0 HA PRO A 99 21.824 6.838 4.433 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.258 8.093 6.873 1.00 0.00 H new ATOM 0 HB3 PRO A 99 22.540 6.373 6.689 1.00 0.00 H new ATOM 0 HG2 PRO A 99 24.528 8.636 6.623 1.00 0.00 H new ATOM 0 HG3 PRO A 99 24.663 7.075 7.409 1.00 0.00 H new ATOM 0 HD2 PRO A 99 25.861 7.576 5.015 1.00 0.00 H new ATOM 0 HD3 PRO A 99 25.272 5.978 5.427 1.00 0.00 H new ATOM 1575 N GLY A 100 20.901 9.069 4.172 1.00 0.00 N ATOM 1576 CA GLY A 100 20.386 10.378 3.817 1.00 0.00 C ATOM 1577 C GLY A 100 18.877 10.460 3.938 1.00 0.00 C ATOM 1578 O GLY A 100 18.274 9.762 4.753 1.00 0.00 O ATOM 0 H GLY A 100 20.205 8.323 4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 100 20.840 11.131 4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.679 10.615 2.794 1.00 0.00 H new ATOM 1582 N ARG A 101 18.266 11.317 3.126 1.00 0.00 N ATOM 1583 CA ARG A 101 16.818 11.490 3.148 1.00 0.00 C ATOM 1584 C ARG A 101 16.195 11.020 1.837 1.00 0.00 C ATOM 1585 O ARG A 101 15.095 10.466 1.824 1.00 0.00 O ATOM 1586 CB ARG A 101 16.462 12.956 3.398 1.00 0.00 C ATOM 1587 CG ARG A 101 16.432 13.333 4.870 1.00 0.00 C ATOM 1588 CD ARG A 101 16.788 14.797 5.078 1.00 0.00 C ATOM 1589 NE ARG A 101 18.232 15.013 5.090 1.00 0.00 N ATOM 1590 CZ ARG A 101 18.834 15.910 5.863 1.00 0.00 C ATOM 1591 NH1 ARG A 101 18.121 16.670 6.682 1.00 0.00 N ATOM 1592 NH2 ARG A 101 20.153 16.048 5.818 1.00 0.00 N ATOM 0 H ARG A 101 18.751 11.902 2.445 1.00 0.00 H new ATOM 0 HA ARG A 101 16.417 10.883 3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.185 13.589 2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 101 15.487 13.164 2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 101 15.440 13.138 5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.132 12.705 5.422 1.00 0.00 H new ATOM 0 HD2 ARG A 101 16.339 15.395 4.285 1.00 0.00 H new ATOM 0 HD3 ARG A 101 16.362 15.143 6.020 1.00 0.00 H new ATOM 0 HE ARG A 101 18.810 14.444 4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 101 17.107 16.567 6.720 1.00 0.00 H new ATOM 0 HH12 ARG A 101 18.586 17.358 7.274 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.706 15.465 5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 101 20.614 16.737 6.412 1.00 0.00 H new ATOM 1606 N TYR A 102 16.904 11.246 0.737 1.00 0.00 N ATOM 1607 CA TYR A 102 16.419 10.849 -0.580 1.00 0.00 C ATOM 1608 C TYR A 102 17.269 9.720 -1.156 1.00 0.00 C ATOM 1609 O TYR A 102 17.231 9.448 -2.356 1.00 0.00 O ATOM 1610 CB TYR A 102 16.428 12.046 -1.532 1.00 0.00 C ATOM 1611 CG TYR A 102 15.993 13.340 -0.882 1.00 0.00 C ATOM 1612 CD1 TYR A 102 14.787 13.425 -0.197 1.00 0.00 C ATOM 1613 CD2 TYR A 102 16.789 14.477 -0.952 1.00 0.00 C ATOM 1614 CE1 TYR A 102 14.386 14.606 0.397 1.00 0.00 C ATOM 1615 CE2 TYR A 102 16.396 15.661 -0.359 1.00 0.00 C ATOM 1616 CZ TYR A 102 15.193 15.721 0.314 1.00 0.00 C ATOM 1617 OH TYR A 102 14.797 16.898 0.906 1.00 0.00 O ATOM 0 H TYR A 102 17.816 11.702 0.731 1.00 0.00 H new ATOM 0 HA TYR A 102 15.396 10.489 -0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 102 17.433 12.172 -1.935 1.00 0.00 H new ATOM 0 HB3 TYR A 102 15.771 11.834 -2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 102 14.153 12.554 -0.128 1.00 0.00 H new ATOM 0 HD2 TYR A 102 17.731 14.434 -1.479 1.00 0.00 H new ATOM 0 HE1 TYR A 102 13.445 14.656 0.924 1.00 0.00 H new ATOM 0 HE2 TYR A 102 17.027 16.535 -0.422 1.00 0.00 H new ATOM 0 HH TYR A 102 15.479 17.585 0.756 1.00 0.00 H new ATOM 1627 N THR A 103 18.037 9.065 -0.290 1.00 0.00 N ATOM 1628 CA THR A 103 18.897 7.966 -0.710 1.00 0.00 C ATOM 1629 C THR A 103 18.106 6.910 -1.474 1.00 0.00 C ATOM 1630 O THR A 103 18.597 6.336 -2.447 1.00 0.00 O ATOM 1631 CB THR A 103 19.588 7.301 0.495 1.00 0.00 C ATOM 1632 OG1 THR A 103 20.359 8.271 1.213 1.00 0.00 O ATOM 1633 CG2 THR A 103 20.490 6.164 0.041 1.00 0.00 C ATOM 0 H THR A 103 18.081 9.277 0.707 1.00 0.00 H new ATOM 0 HA THR A 103 19.657 8.392 -1.365 1.00 0.00 H new ATOM 0 HB THR A 103 18.817 6.893 1.149 1.00 0.00 H new ATOM 0 HG1 THR A 103 21.217 7.877 1.476 1.00 0.00 H new ATOM 0 HG21 THR A 103 20.967 5.709 0.909 1.00 0.00 H new ATOM 0 HG22 THR A 103 19.895 5.414 -0.480 1.00 0.00 H new ATOM 0 HG23 THR A 103 21.255 6.553 -0.632 1.00 0.00 H new ATOM 1641 N PHE A 104 16.879 6.659 -1.029 1.00 0.00 N ATOM 1642 CA PHE A 104 16.020 5.672 -1.672 1.00 0.00 C ATOM 1643 C PHE A 104 15.028 6.345 -2.615 1.00 0.00 C ATOM 1644 O PHE A 104 14.023 5.750 -3.003 1.00 0.00 O ATOM 1645 CB PHE A 104 15.267 4.858 -0.618 1.00 0.00 C ATOM 1646 CG PHE A 104 16.164 4.233 0.412 1.00 0.00 C ATOM 1647 CD1 PHE A 104 16.506 4.924 1.563 1.00 0.00 C ATOM 1648 CD2 PHE A 104 16.666 2.955 0.228 1.00 0.00 C ATOM 1649 CE1 PHE A 104 17.332 4.352 2.512 1.00 0.00 C ATOM 1650 CE2 PHE A 104 17.493 2.377 1.174 1.00 0.00 C ATOM 1651 CZ PHE A 104 17.825 3.076 2.317 1.00 0.00 C ATOM 0 H PHE A 104 16.458 7.126 -0.226 1.00 0.00 H new ATOM 0 HA PHE A 104 16.652 5.003 -2.256 1.00 0.00 H new ATOM 0 HB2 PHE A 104 14.548 5.505 -0.117 1.00 0.00 H new ATOM 0 HB3 PHE A 104 14.697 4.073 -1.116 1.00 0.00 H new ATOM 0 HD1 PHE A 104 16.123 5.921 1.721 1.00 0.00 H new ATOM 0 HD2 PHE A 104 16.409 2.404 -0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 104 17.592 4.902 3.405 1.00 0.00 H new ATOM 0 HE2 PHE A 104 17.878 1.380 1.019 1.00 0.00 H new ATOM 0 HZ PHE A 104 18.469 2.626 3.058 1.00 0.00 H new ATOM 1661 N GLU A 105 15.319 7.590 -2.980 1.00 0.00 N ATOM 1662 CA GLU A 105 14.452 8.345 -3.877 1.00 0.00 C ATOM 1663 C GLU A 105 14.113 7.528 -5.121 1.00 0.00 C ATOM 1664 O GLU A 105 12.944 7.375 -5.476 1.00 0.00 O ATOM 1665 CB GLU A 105 15.122 9.659 -4.283 1.00 0.00 C ATOM 1666 CG GLU A 105 14.205 10.599 -5.048 1.00 0.00 C ATOM 1667 CD GLU A 105 13.086 11.152 -4.187 1.00 0.00 C ATOM 1668 OE1 GLU A 105 12.219 10.362 -3.760 1.00 0.00 O ATOM 1669 OE2 GLU A 105 13.079 12.376 -3.939 1.00 0.00 O ATOM 0 H GLU A 105 16.148 8.097 -2.669 1.00 0.00 H new ATOM 0 HA GLU A 105 13.526 8.567 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.482 10.165 -3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.995 9.437 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.791 11.425 -5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.776 10.069 -5.899 1.00 0.00 H new ATOM 1676 N ASP A 106 15.143 7.007 -5.778 1.00 0.00 N ATOM 1677 CA ASP A 106 14.955 6.206 -6.982 1.00 0.00 C ATOM 1678 C ASP A 106 14.028 5.026 -6.710 1.00 0.00 C ATOM 1679 O ASP A 106 12.964 4.907 -7.318 1.00 0.00 O ATOM 1680 CB ASP A 106 16.303 5.702 -7.500 1.00 0.00 C ATOM 1681 CG ASP A 106 17.385 6.762 -7.428 1.00 0.00 C ATOM 1682 OD1 ASP A 106 17.726 7.187 -6.304 1.00 0.00 O ATOM 1683 OD2 ASP A 106 17.890 7.168 -8.495 1.00 0.00 O ATOM 0 H ASP A 106 16.117 7.125 -5.497 1.00 0.00 H new ATOM 0 HA ASP A 106 14.496 6.838 -7.742 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.611 4.833 -6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 106 16.191 5.371 -8.532 1.00 0.00 H new ATOM 1688 N ALA A 107 14.438 4.155 -5.794 1.00 0.00 N ATOM 1689 CA ALA A 107 13.644 2.985 -5.441 1.00 0.00 C ATOM 1690 C ALA A 107 12.206 3.376 -5.116 1.00 0.00 C ATOM 1691 O ALA A 107 11.270 2.945 -5.789 1.00 0.00 O ATOM 1692 CB ALA A 107 14.273 2.255 -4.264 1.00 0.00 C ATOM 0 H ALA A 107 15.317 4.238 -5.282 1.00 0.00 H new ATOM 0 HA ALA A 107 13.626 2.316 -6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 107 13.669 1.383 -4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 107 15.280 1.934 -4.531 1.00 0.00 H new ATOM 0 HB3 ALA A 107 14.321 2.924 -3.405 1.00 0.00 H new ATOM 1698 N GLN A 108 12.039 4.193 -4.082 1.00 0.00 N ATOM 1699 CA GLN A 108 10.714 4.640 -3.668 1.00 0.00 C ATOM 1700 C GLN A 108 9.880 5.059 -4.874 1.00 0.00 C ATOM 1701 O GLN A 108 8.678 4.798 -4.929 1.00 0.00 O ATOM 1702 CB GLN A 108 10.830 5.805 -2.683 1.00 0.00 C ATOM 1703 CG GLN A 108 9.543 6.094 -1.929 1.00 0.00 C ATOM 1704 CD GLN A 108 9.509 7.493 -1.346 1.00 0.00 C ATOM 1705 OE1 GLN A 108 10.349 8.334 -1.671 1.00 0.00 O ATOM 1706 NE2 GLN A 108 8.536 7.752 -0.481 1.00 0.00 N ATOM 0 H GLN A 108 12.804 4.559 -3.515 1.00 0.00 H new ATOM 0 HA GLN A 108 10.214 3.806 -3.175 1.00 0.00 H new ATOM 0 HB2 GLN A 108 11.620 5.586 -1.965 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.132 6.700 -3.226 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.695 5.964 -2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.426 5.367 -1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.861 7.026 -0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 108 8.463 8.677 -0.057 1.00 0.00 H new ATOM 1715 N GLU A 109 10.525 5.710 -5.836 1.00 0.00 N ATOM 1716 CA GLU A 109 9.840 6.166 -7.040 1.00 0.00 C ATOM 1717 C GLU A 109 9.475 4.987 -7.938 1.00 0.00 C ATOM 1718 O GLU A 109 8.347 4.888 -8.423 1.00 0.00 O ATOM 1719 CB GLU A 109 10.719 7.154 -7.810 1.00 0.00 C ATOM 1720 CG GLU A 109 10.464 7.156 -9.308 1.00 0.00 C ATOM 1721 CD GLU A 109 11.247 8.235 -10.032 1.00 0.00 C ATOM 1722 OE1 GLU A 109 11.133 9.415 -9.637 1.00 0.00 O ATOM 1723 OE2 GLU A 109 11.972 7.901 -10.991 1.00 0.00 O ATOM 0 H GLU A 109 11.520 5.934 -5.806 1.00 0.00 H new ATOM 0 HA GLU A 109 8.921 6.668 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 109 10.550 8.158 -7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 109 11.766 6.913 -7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 109 10.729 6.182 -9.719 1.00 0.00 H new ATOM 0 HG3 GLU A 109 9.399 7.300 -9.491 1.00 0.00 H new ATOM 1730 N HIS A 110 10.437 4.096 -8.155 1.00 0.00 N ATOM 1731 CA HIS A 110 10.218 2.924 -8.995 1.00 0.00 C ATOM 1732 C HIS A 110 8.977 2.158 -8.545 1.00 0.00 C ATOM 1733 O HIS A 110 8.042 1.961 -9.321 1.00 0.00 O ATOM 1734 CB HIS A 110 11.440 2.006 -8.955 1.00 0.00 C ATOM 1735 CG HIS A 110 11.469 0.999 -10.063 1.00 0.00 C ATOM 1736 ND1 HIS A 110 11.631 1.343 -11.389 1.00 0.00 N ATOM 1737 CD2 HIS A 110 11.358 -0.350 -10.037 1.00 0.00 C ATOM 1738 CE1 HIS A 110 11.616 0.250 -12.130 1.00 0.00 C ATOM 1739 NE2 HIS A 110 11.453 -0.791 -11.334 1.00 0.00 N ATOM 0 H HIS A 110 11.375 4.163 -7.761 1.00 0.00 H new ATOM 0 HA HIS A 110 10.062 3.265 -10.019 1.00 0.00 H new ATOM 0 HB2 HIS A 110 12.343 2.614 -9.004 1.00 0.00 H new ATOM 0 HB3 HIS A 110 11.460 1.483 -7.999 1.00 0.00 H new ATOM 0 HD2 HIS A 110 11.220 -0.965 -9.160 1.00 0.00 H new ATOM 0 HE1 HIS A 110 11.719 0.214 -13.204 1.00 0.00 H new ATOM 0 HE2 HIS A 110 11.405 -1.765 -11.634 1.00 0.00 H new ATOM 1747 N ILE A 111 8.976 1.729 -7.287 1.00 0.00 N ATOM 1748 CA ILE A 111 7.851 0.985 -6.735 1.00 0.00 C ATOM 1749 C ILE A 111 6.565 1.803 -6.803 1.00 0.00 C ATOM 1750 O ILE A 111 5.481 1.259 -7.012 1.00 0.00 O ATOM 1751 CB ILE A 111 8.109 0.577 -5.273 1.00 0.00 C ATOM 1752 CG1 ILE A 111 9.337 -0.331 -5.183 1.00 0.00 C ATOM 1753 CG2 ILE A 111 6.886 -0.118 -4.693 1.00 0.00 C ATOM 1754 CD1 ILE A 111 9.177 -1.639 -5.926 1.00 0.00 C ATOM 0 H ILE A 111 9.742 1.884 -6.631 1.00 0.00 H new ATOM 0 HA ILE A 111 7.740 0.086 -7.341 1.00 0.00 H new ATOM 0 HB ILE A 111 8.302 1.477 -4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 111 10.202 0.200 -5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.547 -0.541 -4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.084 -0.400 -3.659 1.00 0.00 H new ATOM 0 HG22 ILE A 111 6.032 0.559 -4.727 1.00 0.00 H new ATOM 0 HG23 ILE A 111 6.664 -1.011 -5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 111 10.085 -2.232 -5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 111 8.333 -2.191 -5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 111 8.997 -1.438 -6.982 1.00 0.00 H new ATOM 1766 N TYR A 112 6.694 3.113 -6.627 1.00 0.00 N ATOM 1767 CA TYR A 112 5.543 4.007 -6.668 1.00 0.00 C ATOM 1768 C TYR A 112 4.814 3.896 -8.004 1.00 0.00 C ATOM 1769 O TYR A 112 3.663 3.463 -8.063 1.00 0.00 O ATOM 1770 CB TYR A 112 5.985 5.453 -6.434 1.00 0.00 C ATOM 1771 CG TYR A 112 4.868 6.460 -6.593 1.00 0.00 C ATOM 1772 CD1 TYR A 112 3.951 6.676 -5.572 1.00 0.00 C ATOM 1773 CD2 TYR A 112 4.730 7.195 -7.764 1.00 0.00 C ATOM 1774 CE1 TYR A 112 2.929 7.595 -5.713 1.00 0.00 C ATOM 1775 CE2 TYR A 112 3.712 8.117 -7.913 1.00 0.00 C ATOM 1776 CZ TYR A 112 2.814 8.313 -6.885 1.00 0.00 C ATOM 1777 OH TYR A 112 1.798 9.230 -7.030 1.00 0.00 O ATOM 0 H TYR A 112 7.584 3.580 -6.454 1.00 0.00 H new ATOM 0 HA TYR A 112 4.857 3.711 -5.875 1.00 0.00 H new ATOM 0 HB2 TYR A 112 6.401 5.539 -5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.785 5.697 -7.132 1.00 0.00 H new ATOM 0 HD1 TYR A 112 4.038 6.116 -4.653 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.431 7.043 -8.572 1.00 0.00 H new ATOM 0 HE1 TYR A 112 2.224 7.750 -4.910 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.620 8.681 -8.829 1.00 0.00 H new ATOM 0 HH TYR A 112 1.990 9.813 -7.794 1.00 0.00 H new ATOM 1787 N LYS A 113 5.494 4.290 -9.076 1.00 0.00 N ATOM 1788 CA LYS A 113 4.915 4.234 -10.413 1.00 0.00 C ATOM 1789 C LYS A 113 4.313 2.860 -10.688 1.00 0.00 C ATOM 1790 O LYS A 113 3.348 2.734 -11.443 1.00 0.00 O ATOM 1791 CB LYS A 113 5.979 4.556 -11.465 1.00 0.00 C ATOM 1792 CG LYS A 113 6.774 5.814 -11.161 1.00 0.00 C ATOM 1793 CD LYS A 113 7.934 5.987 -12.127 1.00 0.00 C ATOM 1794 CE LYS A 113 9.025 4.957 -11.878 1.00 0.00 C ATOM 1795 NZ LYS A 113 9.796 4.655 -13.116 1.00 0.00 N ATOM 0 H LYS A 113 6.447 4.652 -9.044 1.00 0.00 H new ATOM 0 HA LYS A 113 4.120 4.977 -10.469 1.00 0.00 H new ATOM 0 HB2 LYS A 113 6.665 3.713 -11.545 1.00 0.00 H new ATOM 0 HB3 LYS A 113 5.496 4.667 -12.436 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.118 6.683 -11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 113 7.153 5.768 -10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 113 7.573 5.895 -13.151 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.348 6.990 -12.024 1.00 0.00 H new ATOM 0 HE2 LYS A 113 9.703 5.325 -11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 113 8.578 4.039 -11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.530 3.949 -12.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.153 4.279 -13.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.244 5.525 -13.467 1.00 0.00 H new ATOM 1809 N LEU A 114 4.886 1.833 -10.069 1.00 0.00 N ATOM 1810 CA LEU A 114 4.404 0.468 -10.246 1.00 0.00 C ATOM 1811 C LEU A 114 3.021 0.293 -9.625 1.00 0.00 C ATOM 1812 O LEU A 114 2.017 0.217 -10.333 1.00 0.00 O ATOM 1813 CB LEU A 114 5.385 -0.525 -9.622 1.00 0.00 C ATOM 1814 CG LEU A 114 4.841 -1.929 -9.355 1.00 0.00 C ATOM 1815 CD1 LEU A 114 5.201 -2.867 -10.496 1.00 0.00 C ATOM 1816 CD2 LEU A 114 5.372 -2.465 -8.033 1.00 0.00 C ATOM 0 H LEU A 114 5.685 1.920 -9.440 1.00 0.00 H new ATOM 0 HA LEU A 114 4.329 0.272 -11.316 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.250 -0.611 -10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.741 -0.110 -8.679 1.00 0.00 H new ATOM 0 HG LEU A 114 3.755 -1.870 -9.290 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.806 -3.861 -10.288 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.771 -2.492 -11.425 1.00 0.00 H new ATOM 0 HD13 LEU A 114 6.285 -2.921 -10.594 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.974 -3.465 -7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 114 6.461 -2.509 -8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.062 -1.806 -7.222 1.00 0.00 H new ATOM 1828 N MET A 115 2.978 0.234 -8.298 1.00 0.00 N ATOM 1829 CA MET A 115 1.718 0.072 -7.582 1.00 0.00 C ATOM 1830 C MET A 115 0.603 0.865 -8.257 1.00 0.00 C ATOM 1831 O MET A 115 -0.518 0.377 -8.405 1.00 0.00 O ATOM 1832 CB MET A 115 1.872 0.523 -6.128 1.00 0.00 C ATOM 1833 CG MET A 115 2.985 -0.195 -5.384 1.00 0.00 C ATOM 1834 SD MET A 115 3.106 0.312 -3.658 1.00 0.00 S ATOM 1835 CE MET A 115 3.605 2.022 -3.842 1.00 0.00 C ATOM 0 H MET A 115 3.800 0.296 -7.697 1.00 0.00 H new ATOM 0 HA MET A 115 1.451 -0.985 -7.601 1.00 0.00 H new ATOM 0 HB2 MET A 115 2.065 1.596 -6.107 1.00 0.00 H new ATOM 0 HB3 MET A 115 0.931 0.359 -5.604 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.814 -1.270 -5.432 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.934 -0.001 -5.883 1.00 0.00 H new ATOM 0 HE1 MET A 115 4.600 2.158 -3.418 1.00 0.00 H new ATOM 0 HE2 MET A 115 3.622 2.284 -4.900 1.00 0.00 H new ATOM 0 HE3 MET A 115 2.897 2.666 -3.320 1.00 0.00 H new ATOM 1845 N LYS A 116 0.917 2.089 -8.665 1.00 0.00 N ATOM 1846 CA LYS A 116 -0.057 2.950 -9.326 1.00 0.00 C ATOM 1847 C LYS A 116 -1.030 2.127 -10.164 1.00 0.00 C ATOM 1848 O LYS A 116 -2.200 1.981 -9.808 1.00 0.00 O ATOM 1849 CB LYS A 116 0.655 3.975 -10.212 1.00 0.00 C ATOM 1850 CG LYS A 116 1.286 5.117 -9.435 1.00 0.00 C ATOM 1851 CD LYS A 116 1.913 6.143 -10.364 1.00 0.00 C ATOM 1852 CE LYS A 116 0.951 7.280 -10.671 1.00 0.00 C ATOM 1853 NZ LYS A 116 0.552 8.017 -9.440 1.00 0.00 N ATOM 0 H LYS A 116 1.840 2.508 -8.550 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.622 3.475 -8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 116 1.428 3.469 -10.789 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -0.060 4.384 -10.926 1.00 0.00 H new ATOM 0 HG2 LYS A 116 0.529 5.599 -8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 116 2.046 4.723 -8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 116 2.818 6.544 -9.907 1.00 0.00 H new ATOM 0 HD3 LYS A 116 2.213 5.658 -11.293 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.418 7.971 -11.373 1.00 0.00 H new ATOM 0 HE3 LYS A 116 0.062 6.881 -11.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 0.253 8.980 -9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.236 7.520 -8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 1.360 8.066 -8.787 1.00 0.00 H new ATOM 1867 N SER A 117 -0.539 1.590 -11.276 1.00 0.00 N ATOM 1868 CA SER A 117 -1.367 0.783 -12.165 1.00 0.00 C ATOM 1869 C SER A 117 -1.072 -0.703 -11.983 1.00 0.00 C ATOM 1870 O SER A 117 -1.406 -1.523 -12.838 1.00 0.00 O ATOM 1871 CB SER A 117 -1.131 1.187 -13.622 1.00 0.00 C ATOM 1872 OG SER A 117 -1.952 0.435 -14.499 1.00 0.00 O ATOM 0 H SER A 117 0.428 1.699 -11.583 1.00 0.00 H new ATOM 0 HA SER A 117 -2.412 0.962 -11.910 1.00 0.00 H new ATOM 0 HB2 SER A 117 -1.339 2.250 -13.746 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.083 1.035 -13.880 1.00 0.00 H new ATOM 0 HG SER A 117 -1.997 -0.494 -14.189 1.00 0.00 H new ATOM 1878 N ASP A 118 -0.443 -1.041 -10.863 1.00 0.00 N ATOM 1879 CA ASP A 118 -0.103 -2.428 -10.566 1.00 0.00 C ATOM 1880 C ASP A 118 -1.125 -3.047 -9.618 1.00 0.00 C ATOM 1881 O ASP A 118 -1.856 -3.965 -9.991 1.00 0.00 O ATOM 1882 CB ASP A 118 1.296 -2.512 -9.953 1.00 0.00 C ATOM 1883 CG ASP A 118 2.379 -2.671 -11.002 1.00 0.00 C ATOM 1884 OD1 ASP A 118 2.711 -1.668 -11.668 1.00 0.00 O ATOM 1885 OD2 ASP A 118 2.894 -3.798 -11.157 1.00 0.00 O ATOM 0 H ASP A 118 -0.158 -0.374 -10.146 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.116 -2.988 -11.501 1.00 0.00 H new ATOM 0 HB2 ASP A 118 1.489 -1.612 -9.370 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.337 -3.354 -9.262 1.00 0.00 H new ATOM 1890 N SER A 119 -1.170 -2.540 -8.390 1.00 0.00 N ATOM 1891 CA SER A 119 -2.099 -3.046 -7.387 1.00 0.00 C ATOM 1892 C SER A 119 -3.391 -2.234 -7.383 1.00 0.00 C ATOM 1893 O SER A 119 -4.487 -2.790 -7.448 1.00 0.00 O ATOM 1894 CB SER A 119 -1.456 -3.009 -6.000 1.00 0.00 C ATOM 1895 OG SER A 119 -0.219 -3.701 -5.992 1.00 0.00 O ATOM 0 H SER A 119 -0.573 -1.779 -8.066 1.00 0.00 H new ATOM 0 HA SER A 119 -2.340 -4.078 -7.640 1.00 0.00 H new ATOM 0 HB2 SER A 119 -1.299 -1.974 -5.696 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.131 -3.457 -5.271 1.00 0.00 H new ATOM 0 HG SER A 119 0.172 -3.661 -5.094 1.00 0.00 H new ATOM 1901 N TYR A 120 -3.252 -0.915 -7.307 1.00 0.00 N ATOM 1902 CA TYR A 120 -4.407 -0.024 -7.292 1.00 0.00 C ATOM 1903 C TYR A 120 -5.540 -0.588 -8.144 1.00 0.00 C ATOM 1904 O TYR A 120 -6.687 -0.689 -7.709 1.00 0.00 O ATOM 1905 CB TYR A 120 -4.013 1.364 -7.800 1.00 0.00 C ATOM 1906 CG TYR A 120 -4.694 2.494 -7.062 1.00 0.00 C ATOM 1907 CD1 TYR A 120 -4.451 2.716 -5.713 1.00 0.00 C ATOM 1908 CD2 TYR A 120 -5.581 3.341 -7.716 1.00 0.00 C ATOM 1909 CE1 TYR A 120 -5.072 3.746 -5.035 1.00 0.00 C ATOM 1910 CE2 TYR A 120 -6.205 4.376 -7.046 1.00 0.00 C ATOM 1911 CZ TYR A 120 -5.948 4.574 -5.706 1.00 0.00 C ATOM 1912 OH TYR A 120 -6.568 5.603 -5.034 1.00 0.00 O ATOM 0 H TYR A 120 -2.351 -0.439 -7.255 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.757 0.059 -6.263 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.933 1.481 -7.711 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -4.255 1.436 -8.860 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -3.764 2.071 -5.185 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -5.786 3.188 -8.765 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -4.873 3.903 -3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -6.890 5.026 -7.569 1.00 0.00 H new ATOM 0 HH TYR A 120 -6.858 6.285 -5.675 1.00 0.00 H new ATOM 1922 N PRO A 121 -5.212 -0.964 -9.389 1.00 0.00 N ATOM 1923 CA PRO A 121 -6.187 -1.525 -10.329 1.00 0.00 C ATOM 1924 C PRO A 121 -7.032 -2.627 -9.700 1.00 0.00 C ATOM 1925 O PRO A 121 -8.261 -2.573 -9.728 1.00 0.00 O ATOM 1926 CB PRO A 121 -5.313 -2.095 -11.449 1.00 0.00 C ATOM 1927 CG PRO A 121 -4.061 -1.288 -11.400 1.00 0.00 C ATOM 1928 CD PRO A 121 -3.864 -0.872 -9.975 1.00 0.00 C ATOM 0 HA PRO A 121 -6.903 -0.776 -10.667 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -5.108 -3.154 -11.291 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.804 -2.006 -12.418 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -3.211 -1.873 -11.752 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -4.139 -0.416 -12.049 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.160 -1.527 -9.462 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -3.467 0.141 -9.906 1.00 0.00 H new ATOM 1936 N ARG A 122 -6.364 -3.627 -9.132 1.00 0.00 N ATOM 1937 CA ARG A 122 -7.054 -4.742 -8.496 1.00 0.00 C ATOM 1938 C ARG A 122 -7.910 -4.258 -7.329 1.00 0.00 C ATOM 1939 O ARG A 122 -9.021 -4.744 -7.117 1.00 0.00 O ATOM 1940 CB ARG A 122 -6.045 -5.781 -8.005 1.00 0.00 C ATOM 1941 CG ARG A 122 -5.445 -6.622 -9.121 1.00 0.00 C ATOM 1942 CD ARG A 122 -4.947 -7.962 -8.602 1.00 0.00 C ATOM 1943 NE ARG A 122 -4.123 -8.658 -9.586 1.00 0.00 N ATOM 1944 CZ ARG A 122 -4.069 -9.981 -9.696 1.00 0.00 C ATOM 1945 NH1 ARG A 122 -4.788 -10.747 -8.887 1.00 0.00 N ATOM 1946 NH2 ARG A 122 -3.295 -10.540 -10.617 1.00 0.00 N ATOM 0 H ARG A 122 -5.346 -3.687 -9.100 1.00 0.00 H new ATOM 0 HA ARG A 122 -7.707 -5.202 -9.237 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -5.241 -5.272 -7.473 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -6.534 -6.440 -7.288 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -6.193 -6.786 -9.897 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -4.620 -6.080 -9.583 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -4.369 -7.806 -7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -5.799 -8.587 -8.336 1.00 0.00 H new ATOM 0 HE ARG A 122 -3.558 -8.098 -10.224 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -5.385 -10.321 -8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -4.745 -11.762 -8.974 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -2.741 -9.954 -11.241 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -3.254 -11.556 -10.701 1.00 0.00 H new ATOM 1960 N PHE A 123 -7.385 -3.299 -6.575 1.00 0.00 N ATOM 1961 CA PHE A 123 -8.099 -2.750 -5.429 1.00 0.00 C ATOM 1962 C PHE A 123 -9.382 -2.052 -5.871 1.00 0.00 C ATOM 1963 O PHE A 123 -10.421 -2.171 -5.221 1.00 0.00 O ATOM 1964 CB PHE A 123 -7.207 -1.767 -4.667 1.00 0.00 C ATOM 1965 CG PHE A 123 -7.963 -0.882 -3.718 1.00 0.00 C ATOM 1966 CD1 PHE A 123 -8.500 -1.397 -2.549 1.00 0.00 C ATOM 1967 CD2 PHE A 123 -8.138 0.464 -3.995 1.00 0.00 C ATOM 1968 CE1 PHE A 123 -9.197 -0.586 -1.673 1.00 0.00 C ATOM 1969 CE2 PHE A 123 -8.833 1.280 -3.122 1.00 0.00 C ATOM 1970 CZ PHE A 123 -9.364 0.755 -1.961 1.00 0.00 C ATOM 0 H PHE A 123 -6.467 -2.886 -6.737 1.00 0.00 H new ATOM 0 HA PHE A 123 -8.364 -3.576 -4.769 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -6.457 -2.327 -4.109 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -6.672 -1.144 -5.384 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -8.372 -2.445 -2.320 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -7.727 0.880 -4.903 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -9.610 -1.000 -0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -8.961 2.328 -3.348 1.00 0.00 H new ATOM 0 HZ PHE A 123 -9.909 1.391 -1.279 1.00 0.00 H new ATOM 1980 N ILE A 124 -9.301 -1.324 -6.979 1.00 0.00 N ATOM 1981 CA ILE A 124 -10.454 -0.607 -7.508 1.00 0.00 C ATOM 1982 C ILE A 124 -11.504 -1.574 -8.044 1.00 0.00 C ATOM 1983 O ILE A 124 -12.699 -1.410 -7.795 1.00 0.00 O ATOM 1984 CB ILE A 124 -10.047 0.364 -8.632 1.00 0.00 C ATOM 1985 CG1 ILE A 124 -9.082 1.423 -8.096 1.00 0.00 C ATOM 1986 CG2 ILE A 124 -11.279 1.020 -9.238 1.00 0.00 C ATOM 1987 CD1 ILE A 124 -9.587 2.129 -6.857 1.00 0.00 C ATOM 0 H ILE A 124 -8.448 -1.215 -7.528 1.00 0.00 H new ATOM 0 HA ILE A 124 -10.876 -0.036 -6.681 1.00 0.00 H new ATOM 0 HB ILE A 124 -9.539 -0.201 -9.414 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -8.126 0.951 -7.871 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -8.897 2.162 -8.875 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -10.975 1.703 -10.031 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -11.933 0.253 -9.652 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -11.813 1.575 -8.466 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -8.852 2.866 -6.533 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -10.528 2.630 -7.082 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -9.745 1.400 -6.062 1.00 0.00 H new ATOM 1999 N ARG A 125 -11.050 -2.584 -8.779 1.00 0.00 N ATOM 2000 CA ARG A 125 -11.950 -3.579 -9.349 1.00 0.00 C ATOM 2001 C ARG A 125 -12.481 -4.515 -8.267 1.00 0.00 C ATOM 2002 O ARG A 125 -13.595 -5.031 -8.369 1.00 0.00 O ATOM 2003 CB ARG A 125 -11.232 -4.388 -10.430 1.00 0.00 C ATOM 2004 CG ARG A 125 -9.942 -5.034 -9.952 1.00 0.00 C ATOM 2005 CD ARG A 125 -10.199 -6.394 -9.322 1.00 0.00 C ATOM 2006 NE ARG A 125 -9.055 -7.289 -9.467 1.00 0.00 N ATOM 2007 CZ ARG A 125 -9.062 -8.560 -9.079 1.00 0.00 C ATOM 2008 NH1 ARG A 125 -10.149 -9.081 -8.526 1.00 0.00 N ATOM 2009 NH2 ARG A 125 -7.981 -9.312 -9.244 1.00 0.00 N ATOM 0 H ARG A 125 -10.064 -2.735 -8.994 1.00 0.00 H new ATOM 0 HA ARG A 125 -12.793 -3.054 -9.798 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -11.903 -5.165 -10.796 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -11.010 -3.734 -11.274 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -9.257 -5.145 -10.792 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -9.455 -4.382 -9.227 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -10.427 -6.266 -8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -11.075 -6.848 -9.785 1.00 0.00 H new ATOM 0 HE ARG A 125 -8.204 -6.919 -9.889 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -10.982 -8.506 -8.398 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -10.152 -10.057 -8.229 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -7.143 -8.915 -9.669 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -7.988 -10.287 -8.946 1.00 0.00 H new ATOM 2023 N SER A 126 -11.677 -4.731 -7.231 1.00 0.00 N ATOM 2024 CA SER A 126 -12.064 -5.608 -6.132 1.00 0.00 C ATOM 2025 C SER A 126 -13.236 -5.019 -5.354 1.00 0.00 C ATOM 2026 O SER A 126 -13.198 -3.864 -4.931 1.00 0.00 O ATOM 2027 CB SER A 126 -10.878 -5.838 -5.194 1.00 0.00 C ATOM 2028 OG SER A 126 -10.545 -4.652 -4.492 1.00 0.00 O ATOM 0 H SER A 126 -10.753 -4.311 -7.130 1.00 0.00 H new ATOM 0 HA SER A 126 -12.375 -6.564 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 126 -11.120 -6.629 -4.484 1.00 0.00 H new ATOM 0 HB3 SER A 126 -10.017 -6.178 -5.769 1.00 0.00 H new ATOM 0 HG SER A 126 -10.844 -3.873 -5.006 1.00 0.00 H new ATOM 2034 N SER A 127 -14.279 -5.823 -5.168 1.00 0.00 N ATOM 2035 CA SER A 127 -15.465 -5.382 -4.444 1.00 0.00 C ATOM 2036 C SER A 127 -15.078 -4.603 -3.191 1.00 0.00 C ATOM 2037 O SER A 127 -15.688 -3.585 -2.866 1.00 0.00 O ATOM 2038 CB SER A 127 -16.333 -6.583 -4.065 1.00 0.00 C ATOM 2039 OG SER A 127 -16.682 -7.342 -5.210 1.00 0.00 O ATOM 0 H SER A 127 -14.326 -6.783 -5.509 1.00 0.00 H new ATOM 0 HA SER A 127 -16.036 -4.723 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 127 -15.797 -7.214 -3.356 1.00 0.00 H new ATOM 0 HB3 SER A 127 -17.237 -6.238 -3.564 1.00 0.00 H new ATOM 0 HG SER A 127 -17.235 -8.105 -4.941 1.00 0.00 H new ATOM 2045 N ALA A 128 -14.060 -5.091 -2.490 1.00 0.00 N ATOM 2046 CA ALA A 128 -13.589 -4.442 -1.273 1.00 0.00 C ATOM 2047 C ALA A 128 -13.678 -2.924 -1.391 1.00 0.00 C ATOM 2048 O ALA A 128 -13.987 -2.233 -0.420 1.00 0.00 O ATOM 2049 CB ALA A 128 -12.161 -4.866 -0.966 1.00 0.00 C ATOM 0 H ALA A 128 -13.545 -5.934 -2.744 1.00 0.00 H new ATOM 0 HA ALA A 128 -14.233 -4.756 -0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.823 -4.373 -0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -12.124 -5.947 -0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.511 -4.582 -1.794 1.00 0.00 H new ATOM 2055 N TYR A 129 -13.406 -2.411 -2.586 1.00 0.00 N ATOM 2056 CA TYR A 129 -13.453 -0.975 -2.830 1.00 0.00 C ATOM 2057 C TYR A 129 -14.884 -0.512 -3.085 1.00 0.00 C ATOM 2058 O TYR A 129 -15.331 0.492 -2.530 1.00 0.00 O ATOM 2059 CB TYR A 129 -12.567 -0.610 -4.022 1.00 0.00 C ATOM 2060 CG TYR A 129 -12.851 0.763 -4.590 1.00 0.00 C ATOM 2061 CD1 TYR A 129 -13.935 0.977 -5.431 1.00 0.00 C ATOM 2062 CD2 TYR A 129 -12.034 1.845 -4.285 1.00 0.00 C ATOM 2063 CE1 TYR A 129 -14.198 2.229 -5.953 1.00 0.00 C ATOM 2064 CE2 TYR A 129 -12.290 3.100 -4.801 1.00 0.00 C ATOM 2065 CZ TYR A 129 -13.373 3.288 -5.634 1.00 0.00 C ATOM 2066 OH TYR A 129 -13.630 4.537 -6.151 1.00 0.00 O ATOM 0 H TYR A 129 -13.151 -2.969 -3.401 1.00 0.00 H new ATOM 0 HA TYR A 129 -13.080 -0.469 -1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -11.522 -0.658 -3.715 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -12.704 -1.354 -4.807 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -14.584 0.151 -5.681 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -11.185 1.702 -3.633 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -15.044 2.378 -6.607 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -11.645 3.930 -4.553 1.00 0.00 H new ATOM 0 HH TYR A 129 -14.427 4.498 -6.720 1.00 0.00 H new ATOM 2076 N GLN A 130 -15.597 -1.251 -3.928 1.00 0.00 N ATOM 2077 CA GLN A 130 -16.978 -0.917 -4.257 1.00 0.00 C ATOM 2078 C GLN A 130 -17.850 -0.913 -3.006 1.00 0.00 C ATOM 2079 O GLN A 130 -18.549 0.061 -2.729 1.00 0.00 O ATOM 2080 CB GLN A 130 -17.535 -1.909 -5.279 1.00 0.00 C ATOM 2081 CG GLN A 130 -16.809 -1.881 -6.614 1.00 0.00 C ATOM 2082 CD GLN A 130 -17.389 -0.860 -7.573 1.00 0.00 C ATOM 2083 OE1 GLN A 130 -18.603 -0.795 -7.768 1.00 0.00 O ATOM 2084 NE2 GLN A 130 -16.523 -0.056 -8.178 1.00 0.00 N ATOM 0 H GLN A 130 -15.242 -2.085 -4.396 1.00 0.00 H new ATOM 0 HA GLN A 130 -16.990 0.084 -4.689 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -17.477 -2.915 -4.865 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -18.590 -1.693 -5.445 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -15.755 -1.658 -6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -16.857 -2.870 -7.070 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -15.525 -0.145 -7.987 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -16.856 0.651 -8.834 1.00 0.00 H new ATOM 2093 N GLU A 131 -17.803 -2.009 -2.254 1.00 0.00 N ATOM 2094 CA GLU A 131 -18.591 -2.130 -1.033 1.00 0.00 C ATOM 2095 C GLU A 131 -18.539 -0.840 -0.221 1.00 0.00 C ATOM 2096 O GLU A 131 -19.549 -0.398 0.329 1.00 0.00 O ATOM 2097 CB GLU A 131 -18.082 -3.299 -0.187 1.00 0.00 C ATOM 2098 CG GLU A 131 -16.650 -3.127 0.290 1.00 0.00 C ATOM 2099 CD GLU A 131 -16.260 -4.145 1.345 1.00 0.00 C ATOM 2100 OE1 GLU A 131 -16.770 -5.284 1.286 1.00 0.00 O ATOM 2101 OE2 GLU A 131 -15.446 -3.803 2.228 1.00 0.00 O ATOM 0 H GLU A 131 -17.229 -2.824 -2.469 1.00 0.00 H new ATOM 0 HA GLU A 131 -19.627 -2.318 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -18.732 -3.420 0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -18.154 -4.217 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -15.975 -3.214 -0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -16.524 -2.123 0.695 1.00 0.00 H new ATOM 2108 N LEU A 132 -17.356 -0.240 -0.150 1.00 0.00 N ATOM 2109 CA LEU A 132 -17.170 1.001 0.595 1.00 0.00 C ATOM 2110 C LEU A 132 -18.020 2.122 0.006 1.00 0.00 C ATOM 2111 O LEU A 132 -18.695 2.852 0.734 1.00 0.00 O ATOM 2112 CB LEU A 132 -15.696 1.407 0.590 1.00 0.00 C ATOM 2113 CG LEU A 132 -14.718 0.393 1.187 1.00 0.00 C ATOM 2114 CD1 LEU A 132 -13.282 0.820 0.927 1.00 0.00 C ATOM 2115 CD2 LEU A 132 -14.966 0.229 2.679 1.00 0.00 C ATOM 0 H LEU A 132 -16.511 -0.593 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 132 -17.489 0.829 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -15.398 1.606 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -15.596 2.344 1.138 1.00 0.00 H new ATOM 0 HG LEU A 132 -14.882 -0.570 0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -12.601 0.087 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -13.111 0.886 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -13.104 1.794 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -14.262 -0.496 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -14.830 1.188 3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -15.985 -0.123 2.842 1.00 0.00 H new ATOM 2127 N LEU A 133 -17.985 2.252 -1.315 1.00 0.00 N ATOM 2128 CA LEU A 133 -18.754 3.283 -2.004 1.00 0.00 C ATOM 2129 C LEU A 133 -20.215 3.258 -1.564 1.00 0.00 C ATOM 2130 O LEU A 133 -20.718 4.225 -0.994 1.00 0.00 O ATOM 2131 CB LEU A 133 -18.663 3.090 -3.518 1.00 0.00 C ATOM 2132 CG LEU A 133 -17.492 3.785 -4.214 1.00 0.00 C ATOM 2133 CD1 LEU A 133 -17.161 3.089 -5.525 1.00 0.00 C ATOM 2134 CD2 LEU A 133 -17.810 5.254 -4.453 1.00 0.00 C ATOM 0 H LEU A 133 -17.432 1.656 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 133 -18.331 4.253 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -18.600 2.022 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -19.590 3.448 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 133 -16.619 3.724 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -16.325 3.597 -6.006 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -16.890 2.052 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -18.030 3.118 -6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -16.966 5.733 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -18.696 5.337 -5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -17.997 5.746 -3.498 1.00 0.00 H new