USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 731 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 91 LYS NZ :NH3+ -104:sc= 0.207 (180deg=-1.03) USER MOD Set 1.2: B 152 THR OG1 : rot 180:sc=-0.00649 USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc= 0.0123 USER MOD Set 2.2: A 71 ASN : amide:sc= -4.12! C(o=-4.1!,f=-7.9!) USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= 1.2 (180deg=0.491) USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= 1.27 (180deg=1.13) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0184 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -84:sc= 1.01 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 66 LYS NZ :NH3+ -157:sc= 1.99 (180deg=0.929!) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 0.271 (180deg=0.259) USER MOD Single : A 74 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.135) USER MOD Single : A 76 MET CE :methyl -119:sc= -1.62 (180deg=-2.59!) USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= 1.14 (180deg=0.93) USER MOD Single : A 79 SER OG : rot -60:sc= -0.198 USER MOD Single : A 80 LYS NZ :NH3+ 175:sc= 0.28 (180deg=0.226) USER MOD Single : A 83 ASN : amide:sc= -0.249 K(o=-0.25,f=-6.7!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00684 USER MOD Single : A 88 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0102) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN :FLIP amide:sc= -0.625! C(o=-3.4!,f=-0.62!) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 157:sc= -0.0598 (180deg=-1.25!) USER MOD Single : A 116 LYS NZ :NH3+ -116:sc= 1.15 (180deg=-0.565) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.014 X(o=-0.014,f=-0.0039) USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 44 -12.176 -5.120 -4.113 1.00 0.96 N ATOM 117 CA TRP A 44 -10.758 -4.865 -3.956 1.00 0.76 C ATOM 118 C TRP A 44 -9.971 -5.970 -4.658 1.00 0.61 C ATOM 119 O TRP A 44 -9.847 -7.082 -4.146 1.00 0.62 O ATOM 120 CB TRP A 44 -10.396 -4.782 -2.469 1.00 0.89 C ATOM 121 CG TRP A 44 -9.041 -4.198 -2.215 1.00 0.64 C ATOM 122 CD1 TRP A 44 -8.538 -3.042 -2.740 1.00 0.60 C ATOM 123 CD2 TRP A 44 -8.026 -4.727 -1.354 1.00 0.59 C ATOM 124 NE1 TRP A 44 -7.265 -2.828 -2.273 1.00 0.60 N ATOM 125 CE2 TRP A 44 -6.928 -3.849 -1.418 1.00 0.53 C ATOM 126 CE3 TRP A 44 -7.931 -5.866 -0.543 1.00 0.76 C ATOM 127 CZ2 TRP A 44 -5.758 -4.068 -0.696 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -6.768 -6.078 0.174 1.00 0.77 C ATOM 129 CH2 TRP A 44 -5.695 -5.187 0.090 1.00 0.69 C ATOM 0 HA TRP A 44 -10.501 -3.909 -4.411 1.00 0.76 H new ATOM 0 HB2 TRP A 44 -11.145 -4.180 -1.954 1.00 0.89 H new ATOM 0 HB3 TRP A 44 -10.439 -5.782 -2.037 1.00 0.89 H new ATOM 0 HD1 TRP A 44 -9.065 -2.391 -3.423 1.00 0.60 H new ATOM 0 HE1 TRP A 44 -6.667 -2.040 -2.520 1.00 0.60 H new ATOM 0 HE3 TRP A 44 -8.751 -6.565 -0.479 1.00 0.76 H new ATOM 0 HZ2 TRP A 44 -4.929 -3.379 -0.754 1.00 0.63 H new ATOM 0 HZ3 TRP A 44 -6.688 -6.947 0.810 1.00 0.77 H new ATOM 0 HH2 TRP A 44 -4.797 -5.385 0.657 1.00 0.69 H new ATOM 140 N VAL A 45 -9.462 -5.651 -5.846 1.00 0.60 N ATOM 141 CA VAL A 45 -8.821 -6.633 -6.723 1.00 0.57 C ATOM 142 C VAL A 45 -7.576 -7.259 -6.092 1.00 0.54 C ATOM 143 O VAL A 45 -7.109 -8.309 -6.533 1.00 0.67 O ATOM 144 CB VAL A 45 -8.439 -6.007 -8.084 1.00 0.67 C ATOM 145 CG1 VAL A 45 -9.658 -5.389 -8.745 1.00 1.01 C ATOM 146 CG2 VAL A 45 -7.337 -4.975 -7.923 1.00 1.33 C ATOM 0 H VAL A 45 -9.481 -4.706 -6.229 1.00 0.60 H new ATOM 0 HA VAL A 45 -9.558 -7.421 -6.878 1.00 0.57 H new ATOM 0 HB VAL A 45 -8.061 -6.802 -8.727 1.00 0.67 H new ATOM 0 HG11 VAL A 45 -9.371 -4.953 -9.702 1.00 1.01 H new ATOM 0 HG12 VAL A 45 -10.413 -6.158 -8.908 1.00 1.01 H new ATOM 0 HG13 VAL A 45 -10.067 -4.611 -8.100 1.00 1.01 H new ATOM 0 HG21 VAL A 45 -7.090 -4.552 -8.897 1.00 1.33 H new ATOM 0 HG22 VAL A 45 -7.677 -4.181 -7.258 1.00 1.33 H new ATOM 0 HG23 VAL A 45 -6.453 -5.450 -7.498 1.00 1.33 H new ATOM 156 N VAL A 46 -7.046 -6.619 -5.060 1.00 0.43 N ATOM 157 CA VAL A 46 -5.848 -7.112 -4.394 1.00 0.40 C ATOM 158 C VAL A 46 -6.232 -8.075 -3.269 1.00 0.46 C ATOM 159 O VAL A 46 -5.383 -8.740 -2.680 1.00 0.53 O ATOM 160 CB VAL A 46 -5.004 -5.946 -3.824 1.00 0.37 C ATOM 161 CG1 VAL A 46 -3.623 -6.425 -3.402 1.00 0.43 C ATOM 162 CG2 VAL A 46 -4.894 -4.812 -4.833 1.00 0.41 C ATOM 0 H VAL A 46 -7.426 -5.758 -4.666 1.00 0.43 H new ATOM 0 HA VAL A 46 -5.244 -7.640 -5.132 1.00 0.40 H new ATOM 0 HB VAL A 46 -5.515 -5.567 -2.939 1.00 0.37 H new ATOM 0 HG11 VAL A 46 -3.052 -5.585 -3.006 1.00 0.43 H new ATOM 0 HG12 VAL A 46 -3.723 -7.191 -2.633 1.00 0.43 H new ATOM 0 HG13 VAL A 46 -3.103 -6.842 -4.265 1.00 0.43 H new ATOM 0 HG21 VAL A 46 -4.297 -4.005 -4.409 1.00 0.41 H new ATOM 0 HG22 VAL A 46 -4.416 -5.179 -5.742 1.00 0.41 H new ATOM 0 HG23 VAL A 46 -5.890 -4.439 -5.072 1.00 0.41 H new ATOM 172 N GLY A 47 -7.531 -8.165 -3.002 1.00 0.51 N ATOM 173 CA GLY A 47 -8.008 -9.003 -1.921 1.00 0.59 C ATOM 174 C GLY A 47 -7.884 -10.476 -2.223 1.00 0.65 C ATOM 175 O GLY A 47 -7.865 -11.299 -1.309 1.00 0.78 O ATOM 0 H GLY A 47 -8.261 -7.672 -3.516 1.00 0.51 H new ATOM 0 HA2 GLY A 47 -7.446 -8.774 -1.015 1.00 0.59 H new ATOM 0 HA3 GLY A 47 -9.052 -8.765 -1.717 1.00 0.59 H new ATOM 179 N LYS A 48 -7.787 -10.815 -3.500 1.00 0.66 N ATOM 180 CA LYS A 48 -7.657 -12.207 -3.896 1.00 0.79 C ATOM 181 C LYS A 48 -6.248 -12.693 -3.604 1.00 0.73 C ATOM 182 O LYS A 48 -6.029 -13.867 -3.301 1.00 0.86 O ATOM 183 CB LYS A 48 -7.912 -12.374 -5.392 1.00 0.94 C ATOM 184 CG LYS A 48 -8.651 -11.216 -6.047 1.00 1.18 C ATOM 185 CD LYS A 48 -8.827 -11.451 -7.539 1.00 1.81 C ATOM 186 CE LYS A 48 -7.511 -11.817 -8.219 1.00 2.64 C ATOM 187 NZ LYS A 48 -6.496 -10.733 -8.128 1.00 3.22 N ATOM 0 H LYS A 48 -7.796 -10.150 -4.274 1.00 0.66 H new ATOM 0 HA LYS A 48 -8.390 -12.785 -3.333 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -6.955 -12.508 -5.897 1.00 0.94 H new ATOM 0 HB3 LYS A 48 -8.485 -13.288 -5.549 1.00 0.94 H new ATOM 0 HG2 LYS A 48 -9.627 -11.092 -5.578 1.00 1.18 H new ATOM 0 HG3 LYS A 48 -8.099 -10.290 -5.884 1.00 1.18 H new ATOM 0 HD2 LYS A 48 -9.551 -12.250 -7.697 1.00 1.81 H new ATOM 0 HD3 LYS A 48 -9.237 -10.553 -8.002 1.00 1.81 H new ATOM 0 HE2 LYS A 48 -7.111 -12.723 -7.763 1.00 2.64 H new ATOM 0 HE3 LYS A 48 -7.700 -12.045 -9.268 1.00 2.64 H new ATOM 0 HZ1 LYS A 48 -5.792 -10.852 -8.885 1.00 3.22 H new ATOM 0 HZ2 LYS A 48 -6.964 -9.810 -8.232 1.00 3.22 H new ATOM 0 HZ3 LYS A 48 -6.021 -10.779 -7.204 1.00 3.22 H new ATOM 201 N ASP A 49 -5.303 -11.765 -3.657 1.00 0.61 N ATOM 202 CA ASP A 49 -3.894 -12.103 -3.559 1.00 0.65 C ATOM 203 C ASP A 49 -3.296 -11.478 -2.312 1.00 0.53 C ATOM 204 O ASP A 49 -2.113 -11.147 -2.272 1.00 0.60 O ATOM 205 CB ASP A 49 -3.147 -11.573 -4.787 1.00 0.80 C ATOM 206 CG ASP A 49 -4.013 -11.504 -6.032 1.00 1.61 C ATOM 207 OD1 ASP A 49 -4.077 -12.510 -6.776 1.00 2.39 O ATOM 208 OD2 ASP A 49 -4.632 -10.449 -6.282 1.00 1.93 O ATOM 0 H ASP A 49 -5.490 -10.768 -3.768 1.00 0.61 H new ATOM 0 HA ASP A 49 -3.797 -13.187 -3.507 1.00 0.65 H new ATOM 0 HB2 ASP A 49 -2.759 -10.578 -4.567 1.00 0.80 H new ATOM 0 HB3 ASP A 49 -2.288 -12.213 -4.985 1.00 0.80 H new ATOM 213 N LYS A 50 -4.104 -11.382 -1.271 1.00 0.43 N ATOM 214 CA LYS A 50 -3.658 -10.775 -0.028 1.00 0.39 C ATOM 215 C LYS A 50 -2.909 -11.781 0.847 1.00 0.32 C ATOM 216 O LYS A 50 -1.833 -11.461 1.325 1.00 0.29 O ATOM 217 CB LYS A 50 -4.826 -10.182 0.764 1.00 0.50 C ATOM 218 CG LYS A 50 -4.372 -9.215 1.855 1.00 0.74 C ATOM 219 CD LYS A 50 -5.518 -8.790 2.756 1.00 0.72 C ATOM 220 CE LYS A 50 -5.779 -9.815 3.846 1.00 0.80 C ATOM 221 NZ LYS A 50 -4.779 -9.729 4.949 1.00 1.17 N ATOM 0 H LYS A 50 -5.068 -11.715 -1.260 1.00 0.43 H new ATOM 0 HA LYS A 50 -2.978 -9.969 -0.303 1.00 0.39 H new ATOM 0 HB2 LYS A 50 -5.496 -9.661 0.080 1.00 0.50 H new ATOM 0 HB3 LYS A 50 -5.399 -10.991 1.217 1.00 0.50 H new ATOM 0 HG2 LYS A 50 -3.595 -9.687 2.456 1.00 0.74 H new ATOM 0 HG3 LYS A 50 -3.927 -8.333 1.395 1.00 0.74 H new ATOM 0 HD2 LYS A 50 -5.287 -7.826 3.209 1.00 0.72 H new ATOM 0 HD3 LYS A 50 -6.420 -8.654 2.159 1.00 0.72 H new ATOM 0 HE2 LYS A 50 -6.779 -9.665 4.252 1.00 0.80 H new ATOM 0 HE3 LYS A 50 -5.757 -10.816 3.415 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 -4.699 -10.654 5.418 1.00 1.17 H new ATOM 0 HZ2 LYS A 50 -3.854 -9.458 4.559 1.00 1.17 H new ATOM 0 HZ3 LYS A 50 -5.086 -9.015 5.641 1.00 1.17 H new ATOM 235 N PRO A 51 -3.457 -13.006 1.081 1.00 0.34 N ATOM 236 CA PRO A 51 -2.830 -14.002 1.972 1.00 0.33 C ATOM 237 C PRO A 51 -1.344 -14.262 1.685 1.00 0.29 C ATOM 238 O PRO A 51 -0.587 -14.591 2.597 1.00 0.29 O ATOM 239 CB PRO A 51 -3.658 -15.260 1.727 1.00 0.45 C ATOM 240 CG PRO A 51 -5.000 -14.749 1.353 1.00 0.65 C ATOM 241 CD PRO A 51 -4.739 -13.516 0.537 1.00 0.44 C ATOM 0 HA PRO A 51 -2.830 -13.655 3.005 1.00 0.33 H new ATOM 0 HB2 PRO A 51 -3.229 -15.870 0.932 1.00 0.45 H new ATOM 0 HB3 PRO A 51 -3.705 -15.885 2.619 1.00 0.45 H new ATOM 0 HG2 PRO A 51 -5.558 -15.490 0.780 1.00 0.65 H new ATOM 0 HG3 PRO A 51 -5.594 -14.517 2.237 1.00 0.65 H new ATOM 0 HD2 PRO A 51 -4.661 -13.747 -0.525 1.00 0.44 H new ATOM 0 HD3 PRO A 51 -5.540 -12.785 0.646 1.00 0.44 H new ATOM 249 N THR A 52 -0.916 -14.106 0.440 1.00 0.29 N ATOM 250 CA THR A 52 0.491 -14.296 0.107 1.00 0.28 C ATOM 251 C THR A 52 1.330 -13.153 0.684 1.00 0.25 C ATOM 252 O THR A 52 2.355 -13.375 1.337 1.00 0.25 O ATOM 253 CB THR A 52 0.688 -14.375 -1.419 1.00 0.33 C ATOM 254 OG1 THR A 52 -0.183 -15.379 -1.963 1.00 0.45 O ATOM 255 CG2 THR A 52 2.133 -14.706 -1.768 1.00 0.40 C ATOM 0 H THR A 52 -1.512 -13.852 -0.347 1.00 0.29 H new ATOM 0 HA THR A 52 0.820 -15.238 0.546 1.00 0.28 H new ATOM 0 HB THR A 52 0.447 -13.403 -1.849 1.00 0.33 H new ATOM 0 HG1 THR A 52 -0.059 -15.428 -2.934 1.00 0.45 H new ATOM 0 HG21 THR A 52 2.243 -14.756 -2.851 1.00 0.40 H new ATOM 0 HG22 THR A 52 2.790 -13.932 -1.371 1.00 0.40 H new ATOM 0 HG23 THR A 52 2.402 -15.668 -1.332 1.00 0.40 H new ATOM 263 N TYR A 53 0.857 -11.930 0.486 1.00 0.25 N ATOM 264 CA TYR A 53 1.530 -10.761 1.030 1.00 0.25 C ATOM 265 C TYR A 53 1.290 -10.694 2.531 1.00 0.22 C ATOM 266 O TYR A 53 2.024 -10.045 3.261 1.00 0.21 O ATOM 267 CB TYR A 53 1.031 -9.483 0.357 1.00 0.28 C ATOM 268 CG TYR A 53 1.072 -9.533 -1.156 1.00 0.34 C ATOM 269 CD1 TYR A 53 2.120 -10.153 -1.831 1.00 0.44 C ATOM 270 CD2 TYR A 53 0.060 -8.954 -1.912 1.00 0.49 C ATOM 271 CE1 TYR A 53 2.154 -10.194 -3.213 1.00 0.53 C ATOM 272 CE2 TYR A 53 0.089 -8.993 -3.294 1.00 0.59 C ATOM 273 CZ TYR A 53 1.136 -9.614 -3.937 1.00 0.56 C ATOM 274 OH TYR A 53 1.167 -9.647 -5.312 1.00 0.70 O ATOM 0 H TYR A 53 0.012 -11.723 -0.046 1.00 0.25 H new ATOM 0 HA TYR A 53 2.599 -10.847 0.836 1.00 0.25 H new ATOM 0 HB2 TYR A 53 0.007 -9.291 0.677 1.00 0.28 H new ATOM 0 HB3 TYR A 53 1.635 -8.643 0.700 1.00 0.28 H new ATOM 0 HD1 TYR A 53 2.919 -10.609 -1.266 1.00 0.44 H new ATOM 0 HD2 TYR A 53 -0.763 -8.465 -1.412 1.00 0.49 H new ATOM 0 HE1 TYR A 53 2.974 -10.678 -3.722 1.00 0.53 H new ATOM 0 HE2 TYR A 53 -0.706 -8.538 -3.866 1.00 0.59 H new ATOM 0 HH TYR A 53 0.374 -9.194 -5.668 1.00 0.70 H new ATOM 284 N ASP A 54 0.248 -11.386 2.968 1.00 0.23 N ATOM 285 CA ASP A 54 -0.088 -11.511 4.382 1.00 0.24 C ATOM 286 C ASP A 54 0.966 -12.359 5.081 1.00 0.21 C ATOM 287 O ASP A 54 1.417 -12.036 6.181 1.00 0.22 O ATOM 288 CB ASP A 54 -1.477 -12.157 4.516 1.00 0.29 C ATOM 289 CG ASP A 54 -2.009 -12.185 5.936 1.00 0.50 C ATOM 290 OD1 ASP A 54 -1.617 -13.095 6.697 1.00 0.63 O ATOM 291 OD2 ASP A 54 -2.785 -11.273 6.306 1.00 0.73 O ATOM 0 H ASP A 54 -0.394 -11.881 2.348 1.00 0.23 H new ATOM 0 HA ASP A 54 -0.109 -10.527 4.849 1.00 0.24 H new ATOM 0 HB2 ASP A 54 -2.181 -11.614 3.886 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -1.430 -13.178 4.136 1.00 0.29 H new ATOM 296 N GLU A 55 1.374 -13.439 4.425 1.00 0.23 N ATOM 297 CA GLU A 55 2.452 -14.272 4.933 1.00 0.25 C ATOM 298 C GLU A 55 3.761 -13.483 4.955 1.00 0.24 C ATOM 299 O GLU A 55 4.523 -13.556 5.921 1.00 0.30 O ATOM 300 CB GLU A 55 2.591 -15.549 4.097 1.00 0.32 C ATOM 301 CG GLU A 55 3.770 -16.424 4.503 1.00 0.41 C ATOM 302 CD GLU A 55 3.675 -17.843 3.974 1.00 1.13 C ATOM 303 OE1 GLU A 55 3.580 -18.028 2.744 1.00 1.86 O ATOM 304 OE2 GLU A 55 3.683 -18.783 4.799 1.00 1.66 O ATOM 0 H GLU A 55 0.974 -13.756 3.542 1.00 0.23 H new ATOM 0 HA GLU A 55 2.213 -14.569 5.954 1.00 0.25 H new ATOM 0 HB2 GLU A 55 1.673 -16.130 4.183 1.00 0.32 H new ATOM 0 HB3 GLU A 55 2.698 -15.275 3.047 1.00 0.32 H new ATOM 0 HG2 GLU A 55 4.692 -15.970 4.141 1.00 0.41 H new ATOM 0 HG3 GLU A 55 3.835 -16.453 5.591 1.00 0.41 H new ATOM 311 N ILE A 56 4.009 -12.710 3.899 1.00 0.22 N ATOM 312 CA ILE A 56 5.178 -11.825 3.859 1.00 0.24 C ATOM 313 C ILE A 56 5.089 -10.788 4.981 1.00 0.24 C ATOM 314 O ILE A 56 6.082 -10.470 5.632 1.00 0.27 O ATOM 315 CB ILE A 56 5.298 -11.096 2.502 1.00 0.27 C ATOM 316 CG1 ILE A 56 5.332 -12.103 1.350 1.00 0.29 C ATOM 317 CG2 ILE A 56 6.544 -10.221 2.479 1.00 0.31 C ATOM 318 CD1 ILE A 56 5.384 -11.460 -0.022 1.00 0.32 C ATOM 0 H ILE A 56 3.423 -12.676 3.065 1.00 0.22 H new ATOM 0 HA ILE A 56 6.063 -12.447 3.993 1.00 0.24 H new ATOM 0 HB ILE A 56 4.423 -10.459 2.375 1.00 0.27 H new ATOM 0 HG12 ILE A 56 6.201 -12.750 1.471 1.00 0.29 H new ATOM 0 HG13 ILE A 56 4.449 -12.740 1.410 1.00 0.29 H new ATOM 0 HG21 ILE A 56 6.615 -9.714 1.517 1.00 0.31 H new ATOM 0 HG22 ILE A 56 6.483 -9.480 3.276 1.00 0.31 H new ATOM 0 HG23 ILE A 56 7.427 -10.842 2.628 1.00 0.31 H new ATOM 0 HD11 ILE A 56 5.406 -12.236 -0.787 1.00 0.32 H new ATOM 0 HD12 ILE A 56 4.503 -10.835 -0.164 1.00 0.32 H new ATOM 0 HD13 ILE A 56 6.281 -10.846 -0.102 1.00 0.32 H new ATOM 330 N PHE A 57 3.880 -10.299 5.205 1.00 0.22 N ATOM 331 CA PHE A 57 3.603 -9.297 6.230 1.00 0.23 C ATOM 332 C PHE A 57 4.039 -9.775 7.617 1.00 0.26 C ATOM 333 O PHE A 57 4.795 -9.096 8.314 1.00 0.29 O ATOM 334 CB PHE A 57 2.102 -8.990 6.228 1.00 0.23 C ATOM 335 CG PHE A 57 1.683 -7.873 7.140 1.00 0.26 C ATOM 336 CD1 PHE A 57 1.726 -6.555 6.711 1.00 0.27 C ATOM 337 CD2 PHE A 57 1.268 -8.141 8.432 1.00 0.35 C ATOM 338 CE1 PHE A 57 1.360 -5.526 7.557 1.00 0.30 C ATOM 339 CE2 PHE A 57 0.898 -7.117 9.279 1.00 0.39 C ATOM 340 CZ PHE A 57 0.877 -5.807 8.808 1.00 0.34 C ATOM 0 H PHE A 57 3.055 -10.586 4.678 1.00 0.22 H new ATOM 0 HA PHE A 57 4.173 -8.396 6.001 1.00 0.23 H new ATOM 0 HB2 PHE A 57 1.798 -8.742 5.211 1.00 0.23 H new ATOM 0 HB3 PHE A 57 1.561 -9.893 6.511 1.00 0.23 H new ATOM 0 HD1 PHE A 57 2.049 -6.331 5.705 1.00 0.27 H new ATOM 0 HD2 PHE A 57 1.233 -9.162 8.781 1.00 0.35 H new ATOM 0 HE1 PHE A 57 1.455 -4.500 7.232 1.00 0.30 H new ATOM 0 HE2 PHE A 57 0.626 -7.330 10.302 1.00 0.39 H new ATOM 0 HZ PHE A 57 0.481 -5.015 9.427 1.00 0.34 H new ATOM 350 N TYR A 58 3.578 -10.956 8.008 1.00 0.33 N ATOM 351 CA TYR A 58 3.854 -11.472 9.344 1.00 0.40 C ATOM 352 C TYR A 58 5.290 -11.968 9.483 1.00 0.44 C ATOM 353 O TYR A 58 5.815 -12.044 10.593 1.00 0.62 O ATOM 354 CB TYR A 58 2.867 -12.585 9.710 1.00 0.46 C ATOM 355 CG TYR A 58 1.468 -12.090 10.027 1.00 0.53 C ATOM 356 CD1 TYR A 58 0.569 -11.799 9.008 1.00 0.60 C ATOM 357 CD2 TYR A 58 1.049 -11.906 11.338 1.00 0.77 C ATOM 358 CE1 TYR A 58 -0.706 -11.344 9.287 1.00 0.71 C ATOM 359 CE2 TYR A 58 -0.223 -11.451 11.627 1.00 0.87 C ATOM 360 CZ TYR A 58 -1.099 -11.190 10.615 1.00 0.78 C ATOM 361 OH TYR A 58 -2.363 -10.711 10.890 1.00 0.91 O ATOM 0 H TYR A 58 3.014 -11.573 7.423 1.00 0.33 H new ATOM 0 HA TYR A 58 3.726 -10.643 10.040 1.00 0.40 H new ATOM 0 HB2 TYR A 58 2.812 -13.294 8.884 1.00 0.46 H new ATOM 0 HB3 TYR A 58 3.253 -13.129 10.572 1.00 0.46 H new ATOM 0 HD1 TYR A 58 0.872 -11.931 7.980 1.00 0.60 H new ATOM 0 HD2 TYR A 58 1.731 -12.123 12.147 1.00 0.77 H new ATOM 0 HE1 TYR A 58 -1.390 -11.110 8.485 1.00 0.71 H new ATOM 0 HE2 TYR A 58 -0.523 -11.302 12.654 1.00 0.87 H new ATOM 0 HH TYR A 58 -2.490 -10.660 11.860 1.00 0.91 H new ATOM 371 N THR A 59 5.939 -12.282 8.368 1.00 0.40 N ATOM 372 CA THR A 59 7.313 -12.772 8.419 1.00 0.45 C ATOM 373 C THR A 59 8.311 -11.621 8.509 1.00 0.48 C ATOM 374 O THR A 59 9.522 -11.842 8.542 1.00 0.56 O ATOM 375 CB THR A 59 7.654 -13.668 7.211 1.00 0.49 C ATOM 376 OG1 THR A 59 7.183 -13.068 6.007 1.00 0.48 O ATOM 377 CG2 THR A 59 7.033 -15.046 7.366 1.00 0.58 C ATOM 0 H THR A 59 5.544 -12.208 7.430 1.00 0.40 H new ATOM 0 HA THR A 59 7.392 -13.377 9.322 1.00 0.45 H new ATOM 0 HB THR A 59 8.738 -13.775 7.165 1.00 0.49 H new ATOM 0 HG1 THR A 59 6.239 -13.297 5.875 1.00 0.48 H new ATOM 0 HG21 THR A 59 7.288 -15.659 6.502 1.00 0.58 H new ATOM 0 HG22 THR A 59 7.416 -15.518 8.271 1.00 0.58 H new ATOM 0 HG23 THR A 59 5.949 -14.951 7.437 1.00 0.58 H new ATOM 385 N LEU A 60 7.804 -10.391 8.575 1.00 0.48 N ATOM 386 CA LEU A 60 8.670 -9.224 8.713 1.00 0.56 C ATOM 387 C LEU A 60 8.571 -8.649 10.124 1.00 0.61 C ATOM 388 O LEU A 60 9.118 -7.582 10.407 1.00 0.71 O ATOM 389 CB LEU A 60 8.317 -8.156 7.674 1.00 0.64 C ATOM 390 CG LEU A 60 8.581 -8.551 6.222 1.00 0.42 C ATOM 391 CD1 LEU A 60 8.161 -7.429 5.284 1.00 0.86 C ATOM 392 CD2 LEU A 60 10.052 -8.892 6.022 1.00 1.17 C ATOM 0 H LEU A 60 6.807 -10.179 8.535 1.00 0.48 H new ATOM 0 HA LEU A 60 9.698 -9.542 8.538 1.00 0.56 H new ATOM 0 HB2 LEU A 60 7.262 -7.904 7.779 1.00 0.64 H new ATOM 0 HB3 LEU A 60 8.885 -7.253 7.897 1.00 0.64 H new ATOM 0 HG LEU A 60 7.989 -9.436 5.990 1.00 0.42 H new ATOM 0 HD11 LEU A 60 8.355 -7.725 4.253 1.00 0.86 H new ATOM 0 HD12 LEU A 60 7.097 -7.229 5.410 1.00 0.86 H new ATOM 0 HD13 LEU A 60 8.730 -6.529 5.516 1.00 0.86 H new ATOM 0 HD21 LEU A 60 10.223 -9.171 4.982 1.00 1.17 H new ATOM 0 HD22 LEU A 60 10.664 -8.024 6.270 1.00 1.17 H new ATOM 0 HD23 LEU A 60 10.324 -9.725 6.671 1.00 1.17 H new ATOM 404 N SER A 61 7.896 -9.399 11.001 1.00 0.59 N ATOM 405 CA SER A 61 7.675 -8.995 12.388 1.00 0.66 C ATOM 406 C SER A 61 6.760 -7.770 12.466 1.00 0.70 C ATOM 407 O SER A 61 7.224 -6.629 12.483 1.00 0.78 O ATOM 408 CB SER A 61 9.000 -8.718 13.109 1.00 0.74 C ATOM 409 OG SER A 61 9.808 -9.886 13.176 1.00 1.14 O ATOM 0 H SER A 61 7.488 -10.304 10.766 1.00 0.59 H new ATOM 0 HA SER A 61 7.182 -9.826 12.893 1.00 0.66 H new ATOM 0 HB2 SER A 61 9.541 -7.929 12.588 1.00 0.74 H new ATOM 0 HB3 SER A 61 8.799 -8.355 14.117 1.00 0.74 H new ATOM 0 HG SER A 61 10.646 -9.678 13.639 1.00 1.14 H new ATOM 415 N PRO A 62 5.437 -7.997 12.499 1.00 0.67 N ATOM 416 CA PRO A 62 4.455 -6.925 12.592 1.00 0.71 C ATOM 417 C PRO A 62 4.279 -6.433 14.024 1.00 0.83 C ATOM 418 O PRO A 62 4.135 -7.227 14.958 1.00 1.10 O ATOM 419 CB PRO A 62 3.155 -7.563 12.078 1.00 0.72 C ATOM 420 CG PRO A 62 3.478 -8.995 11.774 1.00 0.68 C ATOM 421 CD PRO A 62 4.784 -9.304 12.449 1.00 0.65 C ATOM 0 HA PRO A 62 4.759 -6.049 12.020 1.00 0.71 H new ATOM 0 HB2 PRO A 62 2.366 -7.493 12.827 1.00 0.72 H new ATOM 0 HB3 PRO A 62 2.796 -7.048 11.187 1.00 0.72 H new ATOM 0 HG2 PRO A 62 2.690 -9.654 12.139 1.00 0.68 H new ATOM 0 HG3 PRO A 62 3.553 -9.153 10.698 1.00 0.68 H new ATOM 0 HD2 PRO A 62 4.636 -9.721 13.445 1.00 0.65 H new ATOM 0 HD3 PRO A 62 5.371 -10.028 11.884 1.00 0.65 H new ATOM 429 N VAL A 63 4.300 -5.123 14.189 1.00 0.70 N ATOM 430 CA VAL A 63 4.134 -4.508 15.488 1.00 0.79 C ATOM 431 C VAL A 63 2.797 -3.773 15.564 1.00 0.78 C ATOM 432 O VAL A 63 2.489 -2.928 14.720 1.00 0.72 O ATOM 433 CB VAL A 63 5.293 -3.541 15.812 1.00 0.83 C ATOM 434 CG1 VAL A 63 6.576 -4.311 16.096 1.00 1.60 C ATOM 435 CG2 VAL A 63 5.506 -2.560 14.676 1.00 1.66 C ATOM 0 H VAL A 63 4.432 -4.459 13.426 1.00 0.70 H new ATOM 0 HA VAL A 63 4.145 -5.304 16.232 1.00 0.79 H new ATOM 0 HB VAL A 63 5.024 -2.980 16.707 1.00 0.83 H new ATOM 0 HG11 VAL A 63 7.379 -3.609 16.322 1.00 1.60 H new ATOM 0 HG12 VAL A 63 6.422 -4.973 16.948 1.00 1.60 H new ATOM 0 HG13 VAL A 63 6.846 -4.903 15.221 1.00 1.60 H new ATOM 0 HG21 VAL A 63 6.327 -1.888 14.925 1.00 1.66 H new ATOM 0 HG22 VAL A 63 5.748 -3.106 13.764 1.00 1.66 H new ATOM 0 HG23 VAL A 63 4.596 -1.980 14.521 1.00 1.66 H new ATOM 445 N ASN A 64 1.991 -4.145 16.554 1.00 0.92 N ATOM 446 CA ASN A 64 0.680 -3.535 16.784 1.00 1.00 C ATOM 447 C ASN A 64 -0.270 -3.835 15.624 1.00 0.91 C ATOM 448 O ASN A 64 -1.246 -3.119 15.409 1.00 0.97 O ATOM 449 CB ASN A 64 0.798 -2.017 16.997 1.00 1.05 C ATOM 450 CG ASN A 64 1.608 -1.652 18.228 1.00 1.25 C ATOM 451 OD1 ASN A 64 1.697 -2.423 19.186 1.00 1.98 O ATOM 452 ND2 ASN A 64 2.201 -0.468 18.218 1.00 1.61 N ATOM 0 H ASN A 64 2.226 -4.879 17.222 1.00 0.92 H new ATOM 0 HA ASN A 64 0.269 -3.973 17.694 1.00 1.00 H new ATOM 0 HB2 ASN A 64 1.260 -1.567 16.118 1.00 1.05 H new ATOM 0 HB3 ASN A 64 -0.201 -1.589 17.086 1.00 1.05 H new ATOM 0 HD21 ASN A 64 2.754 -0.168 19.021 1.00 1.61 H new ATOM 0 HD22 ASN A 64 2.105 0.144 17.407 1.00 1.61 H new ATOM 459 N GLY A 65 0.010 -4.911 14.894 1.00 0.83 N ATOM 460 CA GLY A 65 -0.847 -5.306 13.787 1.00 0.78 C ATOM 461 C GLY A 65 -0.433 -4.672 12.474 1.00 0.59 C ATOM 462 O GLY A 65 -1.050 -4.908 11.437 1.00 0.59 O ATOM 0 H GLY A 65 0.815 -5.518 15.049 1.00 0.83 H new ATOM 0 HA2 GLY A 65 -0.825 -6.391 13.685 1.00 0.78 H new ATOM 0 HA3 GLY A 65 -1.876 -5.027 14.012 1.00 0.78 H new ATOM 466 N LYS A 66 0.610 -3.863 12.521 1.00 0.51 N ATOM 467 CA LYS A 66 1.095 -3.164 11.343 1.00 0.40 C ATOM 468 C LYS A 66 2.560 -3.497 11.107 1.00 0.36 C ATOM 469 O LYS A 66 3.228 -4.021 11.993 1.00 0.55 O ATOM 470 CB LYS A 66 0.969 -1.665 11.548 1.00 0.52 C ATOM 471 CG LYS A 66 -0.442 -1.186 11.811 1.00 0.70 C ATOM 472 CD LYS A 66 -0.416 0.164 12.500 1.00 0.74 C ATOM 473 CE LYS A 66 -1.804 0.724 12.699 1.00 0.74 C ATOM 474 NZ LYS A 66 -2.443 1.104 11.416 1.00 0.97 N ATOM 0 H LYS A 66 1.142 -3.672 13.370 1.00 0.51 H new ATOM 0 HA LYS A 66 0.501 -3.476 10.484 1.00 0.40 H new ATOM 0 HB2 LYS A 66 1.601 -1.371 12.386 1.00 0.52 H new ATOM 0 HB3 LYS A 66 1.354 -1.156 10.664 1.00 0.52 H new ATOM 0 HG2 LYS A 66 -0.990 -1.113 10.872 1.00 0.70 H new ATOM 0 HG3 LYS A 66 -0.970 -1.910 12.432 1.00 0.70 H new ATOM 0 HD2 LYS A 66 0.078 0.068 13.467 1.00 0.74 H new ATOM 0 HD3 LYS A 66 0.175 0.862 11.907 1.00 0.74 H new ATOM 0 HE2 LYS A 66 -2.423 -0.016 13.206 1.00 0.74 H new ATOM 0 HE3 LYS A 66 -1.752 1.597 13.350 1.00 0.74 H new ATOM 0 HZ1 LYS A 66 -3.183 1.813 11.593 1.00 0.97 H new ATOM 0 HZ2 LYS A 66 -1.727 1.504 10.777 1.00 0.97 H new ATOM 0 HZ3 LYS A 66 -2.868 0.262 10.977 1.00 0.97 H new ATOM 488 N ILE A 67 3.070 -3.200 9.927 1.00 0.30 N ATOM 489 CA ILE A 67 4.507 -3.235 9.730 1.00 0.29 C ATOM 490 C ILE A 67 5.020 -1.819 9.518 1.00 0.28 C ATOM 491 O ILE A 67 4.467 -1.052 8.727 1.00 0.37 O ATOM 492 CB ILE A 67 4.958 -4.147 8.564 1.00 0.30 C ATOM 493 CG1 ILE A 67 4.355 -3.689 7.233 1.00 0.29 C ATOM 494 CG2 ILE A 67 4.586 -5.594 8.857 1.00 0.32 C ATOM 495 CD1 ILE A 67 4.898 -4.434 6.031 1.00 0.31 C ATOM 0 H ILE A 67 2.525 -2.937 9.106 1.00 0.30 H new ATOM 0 HA ILE A 67 4.938 -3.671 10.632 1.00 0.29 H new ATOM 0 HB ILE A 67 6.042 -4.075 8.475 1.00 0.30 H new ATOM 0 HG12 ILE A 67 3.273 -3.817 7.271 1.00 0.29 H new ATOM 0 HG13 ILE A 67 4.545 -2.623 7.105 1.00 0.29 H new ATOM 0 HG21 ILE A 67 4.908 -6.227 8.030 1.00 0.32 H new ATOM 0 HG22 ILE A 67 5.078 -5.917 9.774 1.00 0.32 H new ATOM 0 HG23 ILE A 67 3.506 -5.675 8.977 1.00 0.32 H new ATOM 0 HD11 ILE A 67 4.425 -4.056 5.125 1.00 0.31 H new ATOM 0 HD12 ILE A 67 5.976 -4.285 5.967 1.00 0.31 H new ATOM 0 HD13 ILE A 67 4.684 -5.498 6.135 1.00 0.31 H new ATOM 507 N THR A 68 6.053 -1.462 10.257 1.00 0.28 N ATOM 508 CA THR A 68 6.605 -0.127 10.180 1.00 0.26 C ATOM 509 C THR A 68 7.333 0.077 8.863 1.00 0.25 C ATOM 510 O THR A 68 7.793 -0.886 8.243 1.00 0.31 O ATOM 511 CB THR A 68 7.565 0.147 11.354 1.00 0.31 C ATOM 512 OG1 THR A 68 8.458 -0.961 11.526 1.00 1.31 O ATOM 513 CG2 THR A 68 6.795 0.386 12.640 1.00 1.12 C ATOM 0 H THR A 68 6.526 -2.079 10.917 1.00 0.28 H new ATOM 0 HA THR A 68 5.775 0.577 10.240 1.00 0.26 H new ATOM 0 HB THR A 68 8.139 1.044 11.122 1.00 0.31 H new ATOM 0 HG1 THR A 68 9.066 -0.778 12.273 1.00 1.31 H new ATOM 0 HG21 THR A 68 7.495 0.577 13.453 1.00 1.12 H new ATOM 0 HG22 THR A 68 6.139 1.247 12.516 1.00 1.12 H new ATOM 0 HG23 THR A 68 6.197 -0.495 12.875 1.00 1.12 H new ATOM 521 N GLY A 69 7.427 1.334 8.440 1.00 0.24 N ATOM 522 CA GLY A 69 8.136 1.676 7.213 1.00 0.26 C ATOM 523 C GLY A 69 9.578 1.186 7.174 1.00 0.25 C ATOM 524 O GLY A 69 10.231 1.268 6.137 1.00 0.33 O ATOM 0 H GLY A 69 7.021 2.132 8.929 1.00 0.24 H new ATOM 0 HA2 GLY A 69 7.597 1.255 6.364 1.00 0.26 H new ATOM 0 HA3 GLY A 69 8.128 2.759 7.090 1.00 0.26 H new ATOM 528 N ALA A 70 10.078 0.683 8.298 1.00 0.23 N ATOM 529 CA ALA A 70 11.427 0.139 8.364 1.00 0.24 C ATOM 530 C ALA A 70 11.518 -1.163 7.580 1.00 0.22 C ATOM 531 O ALA A 70 12.173 -1.226 6.537 1.00 0.25 O ATOM 532 CB ALA A 70 11.842 -0.085 9.811 1.00 0.27 C ATOM 0 H ALA A 70 9.565 0.641 9.179 1.00 0.23 H new ATOM 0 HA ALA A 70 12.109 0.861 7.915 1.00 0.24 H new ATOM 0 HB1 ALA A 70 12.853 -0.492 9.841 1.00 0.27 H new ATOM 0 HB2 ALA A 70 11.817 0.863 10.348 1.00 0.27 H new ATOM 0 HB3 ALA A 70 11.154 -0.787 10.282 1.00 0.27 H new ATOM 538 N ASN A 71 10.837 -2.197 8.069 1.00 0.29 N ATOM 539 CA ASN A 71 10.860 -3.496 7.419 1.00 0.32 C ATOM 540 C ASN A 71 10.120 -3.444 6.093 1.00 0.24 C ATOM 541 O ASN A 71 10.442 -4.187 5.162 1.00 0.20 O ATOM 542 CB ASN A 71 10.260 -4.574 8.326 1.00 0.48 C ATOM 543 CG ASN A 71 8.945 -4.168 8.958 1.00 0.69 C ATOM 544 OD1 ASN A 71 7.894 -4.253 8.339 1.00 1.79 O ATOM 545 ND2 ASN A 71 8.998 -3.750 10.211 1.00 0.71 N ATOM 0 H ASN A 71 10.265 -2.156 8.912 1.00 0.29 H new ATOM 0 HA ASN A 71 11.900 -3.757 7.225 1.00 0.32 H new ATOM 0 HB2 ASN A 71 10.109 -5.484 7.745 1.00 0.48 H new ATOM 0 HB3 ASN A 71 10.974 -4.814 9.114 1.00 0.48 H new ATOM 0 HD21 ASN A 71 8.141 -3.484 10.697 1.00 0.71 H new ATOM 0 HD22 ASN A 71 9.896 -3.693 10.692 1.00 0.71 H new ATOM 552 N ALA A 72 9.146 -2.546 6.005 1.00 0.26 N ATOM 553 CA ALA A 72 8.434 -2.319 4.762 1.00 0.26 C ATOM 554 C ALA A 72 9.397 -1.853 3.678 1.00 0.20 C ATOM 555 O ALA A 72 9.427 -2.412 2.586 1.00 0.21 O ATOM 556 CB ALA A 72 7.315 -1.308 4.968 1.00 0.32 C ATOM 0 H ALA A 72 8.834 -1.965 6.783 1.00 0.26 H new ATOM 0 HA ALA A 72 7.986 -3.258 4.438 1.00 0.26 H new ATOM 0 HB1 ALA A 72 6.791 -1.149 4.026 1.00 0.32 H new ATOM 0 HB2 ALA A 72 6.615 -1.686 5.713 1.00 0.32 H new ATOM 0 HB3 ALA A 72 7.737 -0.364 5.313 1.00 0.32 H new ATOM 562 N LYS A 73 10.220 -0.857 4.000 1.00 0.19 N ATOM 563 CA LYS A 73 11.190 -0.340 3.046 1.00 0.17 C ATOM 564 C LYS A 73 12.214 -1.412 2.704 1.00 0.18 C ATOM 565 O LYS A 73 12.665 -1.512 1.570 1.00 0.20 O ATOM 566 CB LYS A 73 11.900 0.890 3.596 1.00 0.19 C ATOM 567 CG LYS A 73 12.876 1.483 2.605 1.00 0.31 C ATOM 568 CD LYS A 73 13.607 2.676 3.193 1.00 0.58 C ATOM 569 CE LYS A 73 14.687 3.192 2.259 1.00 0.91 C ATOM 570 NZ LYS A 73 14.169 4.144 1.241 1.00 1.36 N ATOM 0 H LYS A 73 10.232 -0.396 4.910 1.00 0.19 H new ATOM 0 HA LYS A 73 10.651 -0.052 2.143 1.00 0.17 H new ATOM 0 HB2 LYS A 73 11.160 1.643 3.868 1.00 0.19 H new ATOM 0 HB3 LYS A 73 12.431 0.622 4.509 1.00 0.19 H new ATOM 0 HG2 LYS A 73 13.598 0.724 2.305 1.00 0.31 H new ATOM 0 HG3 LYS A 73 12.342 1.789 1.705 1.00 0.31 H new ATOM 0 HD2 LYS A 73 12.894 3.474 3.399 1.00 0.58 H new ATOM 0 HD3 LYS A 73 14.055 2.394 4.146 1.00 0.58 H new ATOM 0 HE2 LYS A 73 15.463 3.683 2.846 1.00 0.91 H new ATOM 0 HE3 LYS A 73 15.156 2.348 1.754 1.00 0.91 H new ATOM 0 HZ1 LYS A 73 14.901 4.317 0.523 1.00 1.36 H new ATOM 0 HZ2 LYS A 73 13.326 3.740 0.785 1.00 1.36 H new ATOM 0 HZ3 LYS A 73 13.917 5.042 1.702 1.00 1.36 H new ATOM 584 N LYS A 74 12.573 -2.205 3.701 1.00 0.20 N ATOM 585 CA LYS A 74 13.482 -3.330 3.503 1.00 0.23 C ATOM 586 C LYS A 74 12.965 -4.260 2.403 1.00 0.20 C ATOM 587 O LYS A 74 13.728 -4.731 1.556 1.00 0.22 O ATOM 588 CB LYS A 74 13.654 -4.105 4.810 1.00 0.31 C ATOM 589 CG LYS A 74 14.430 -3.344 5.876 1.00 1.15 C ATOM 590 CD LYS A 74 14.350 -4.024 7.238 1.00 1.35 C ATOM 591 CE LYS A 74 14.992 -5.403 7.224 1.00 1.67 C ATOM 592 NZ LYS A 74 16.454 -5.334 6.952 1.00 2.48 N ATOM 0 H LYS A 74 12.248 -2.092 4.661 1.00 0.20 H new ATOM 0 HA LYS A 74 14.450 -2.937 3.193 1.00 0.23 H new ATOM 0 HB2 LYS A 74 12.670 -4.360 5.203 1.00 0.31 H new ATOM 0 HB3 LYS A 74 14.167 -5.044 4.601 1.00 0.31 H new ATOM 0 HG2 LYS A 74 15.474 -3.260 5.574 1.00 1.15 H new ATOM 0 HG3 LYS A 74 14.039 -2.330 5.954 1.00 1.15 H new ATOM 0 HD2 LYS A 74 14.844 -3.401 7.984 1.00 1.35 H new ATOM 0 HD3 LYS A 74 13.306 -4.113 7.538 1.00 1.35 H new ATOM 0 HE2 LYS A 74 14.824 -5.891 8.184 1.00 1.67 H new ATOM 0 HE3 LYS A 74 14.511 -6.020 6.465 1.00 1.67 H new ATOM 0 HZ1 LYS A 74 16.885 -6.263 7.133 1.00 2.48 H new ATOM 0 HZ2 LYS A 74 16.610 -5.068 5.959 1.00 2.48 H new ATOM 0 HZ3 LYS A 74 16.890 -4.623 7.573 1.00 2.48 H new ATOM 606 N GLU A 75 11.667 -4.518 2.408 1.00 0.21 N ATOM 607 CA GLU A 75 11.059 -5.354 1.383 1.00 0.22 C ATOM 608 C GLU A 75 11.032 -4.612 0.047 1.00 0.20 C ATOM 609 O GLU A 75 11.289 -5.186 -1.014 1.00 0.24 O ATOM 610 CB GLU A 75 9.642 -5.760 1.804 1.00 0.29 C ATOM 611 CG GLU A 75 9.055 -6.882 0.966 1.00 0.33 C ATOM 612 CD GLU A 75 10.008 -8.058 0.841 1.00 1.30 C ATOM 613 OE1 GLU A 75 10.634 -8.434 1.860 1.00 2.16 O ATOM 614 OE2 GLU A 75 10.161 -8.588 -0.276 1.00 1.35 O ATOM 0 H GLU A 75 11.015 -4.162 3.107 1.00 0.21 H new ATOM 0 HA GLU A 75 11.656 -6.258 1.264 1.00 0.22 H new ATOM 0 HB2 GLU A 75 9.657 -6.069 2.849 1.00 0.29 H new ATOM 0 HB3 GLU A 75 8.989 -4.889 1.738 1.00 0.29 H new ATOM 0 HG2 GLU A 75 8.121 -7.219 1.415 1.00 0.33 H new ATOM 0 HG3 GLU A 75 8.813 -6.504 -0.027 1.00 0.33 H new ATOM 621 N MET A 76 10.756 -3.319 0.119 1.00 0.19 N ATOM 622 CA MET A 76 10.658 -2.488 -1.074 1.00 0.20 C ATOM 623 C MET A 76 12.018 -2.320 -1.750 1.00 0.22 C ATOM 624 O MET A 76 12.095 -2.142 -2.963 1.00 0.29 O ATOM 625 CB MET A 76 10.053 -1.129 -0.720 1.00 0.22 C ATOM 626 CG MET A 76 8.678 -1.254 -0.088 1.00 0.24 C ATOM 627 SD MET A 76 7.912 0.327 0.298 1.00 0.39 S ATOM 628 CE MET A 76 7.583 0.958 -1.346 1.00 0.51 C ATOM 0 H MET A 76 10.595 -2.820 0.994 1.00 0.19 H new ATOM 0 HA MET A 76 10.001 -2.989 -1.785 1.00 0.20 H new ATOM 0 HB2 MET A 76 10.719 -0.606 -0.034 1.00 0.22 H new ATOM 0 HB3 MET A 76 9.982 -0.520 -1.621 1.00 0.22 H new ATOM 0 HG2 MET A 76 8.026 -1.808 -0.764 1.00 0.24 H new ATOM 0 HG3 MET A 76 8.761 -1.841 0.827 1.00 0.24 H new ATOM 0 HE1 MET A 76 8.126 1.892 -1.493 1.00 0.51 H new ATOM 0 HE2 MET A 76 7.909 0.229 -2.088 1.00 0.51 H new ATOM 0 HE3 MET A 76 6.514 1.138 -1.459 1.00 0.51 H new ATOM 638 N VAL A 77 13.097 -2.394 -0.973 1.00 0.20 N ATOM 639 CA VAL A 77 14.428 -2.347 -1.557 1.00 0.26 C ATOM 640 C VAL A 77 14.817 -3.719 -2.097 1.00 0.27 C ATOM 641 O VAL A 77 15.667 -3.818 -2.981 1.00 0.32 O ATOM 642 CB VAL A 77 15.517 -1.824 -0.582 1.00 0.37 C ATOM 643 CG1 VAL A 77 15.177 -0.423 -0.097 1.00 1.34 C ATOM 644 CG2 VAL A 77 15.724 -2.766 0.591 1.00 0.96 C ATOM 0 H VAL A 77 13.074 -2.485 0.043 1.00 0.20 H new ATOM 0 HA VAL A 77 14.378 -1.627 -2.374 1.00 0.26 H new ATOM 0 HB VAL A 77 16.456 -1.781 -1.134 1.00 0.37 H new ATOM 0 HG11 VAL A 77 15.953 -0.076 0.585 1.00 1.34 H new ATOM 0 HG12 VAL A 77 15.115 0.252 -0.950 1.00 1.34 H new ATOM 0 HG13 VAL A 77 14.219 -0.440 0.422 1.00 1.34 H new ATOM 0 HG21 VAL A 77 16.494 -2.364 1.249 1.00 0.96 H new ATOM 0 HG22 VAL A 77 14.791 -2.868 1.144 1.00 0.96 H new ATOM 0 HG23 VAL A 77 16.036 -3.743 0.222 1.00 0.96 H new ATOM 654 N LYS A 78 14.188 -4.784 -1.581 1.00 0.27 N ATOM 655 CA LYS A 78 14.357 -6.105 -2.185 1.00 0.32 C ATOM 656 C LYS A 78 13.735 -6.116 -3.578 1.00 0.32 C ATOM 657 O LYS A 78 14.182 -6.845 -4.467 1.00 0.40 O ATOM 658 CB LYS A 78 13.699 -7.208 -1.357 1.00 0.43 C ATOM 659 CG LYS A 78 14.225 -7.348 0.055 1.00 0.59 C ATOM 660 CD LYS A 78 13.816 -8.689 0.632 1.00 0.83 C ATOM 661 CE LYS A 78 14.031 -8.750 2.129 1.00 1.36 C ATOM 662 NZ LYS A 78 13.037 -7.926 2.864 1.00 2.20 N ATOM 0 H LYS A 78 13.573 -4.756 -0.767 1.00 0.27 H new ATOM 0 HA LYS A 78 15.428 -6.301 -2.232 1.00 0.32 H new ATOM 0 HB2 LYS A 78 12.627 -7.017 -1.312 1.00 0.43 H new ATOM 0 HB3 LYS A 78 13.832 -8.158 -1.874 1.00 0.43 H new ATOM 0 HG2 LYS A 78 15.311 -7.258 0.057 1.00 0.59 H new ATOM 0 HG3 LYS A 78 13.837 -6.542 0.678 1.00 0.59 H new ATOM 0 HD2 LYS A 78 12.765 -8.875 0.409 1.00 0.83 H new ATOM 0 HD3 LYS A 78 14.389 -9.481 0.151 1.00 0.83 H new ATOM 0 HE2 LYS A 78 13.964 -9.785 2.464 1.00 1.36 H new ATOM 0 HE3 LYS A 78 15.037 -8.403 2.366 1.00 1.36 H new ATOM 0 HZ1 LYS A 78 13.072 -8.161 3.876 1.00 2.20 H new ATOM 0 HZ2 LYS A 78 13.258 -6.918 2.735 1.00 2.20 H new ATOM 0 HZ3 LYS A 78 12.084 -8.121 2.496 1.00 2.20 H new ATOM 676 N SER A 79 12.711 -5.283 -3.757 1.00 0.29 N ATOM 677 CA SER A 79 12.041 -5.143 -5.043 1.00 0.33 C ATOM 678 C SER A 79 12.975 -4.510 -6.076 1.00 0.33 C ATOM 679 O SER A 79 12.733 -4.598 -7.279 1.00 0.42 O ATOM 680 CB SER A 79 10.778 -4.296 -4.875 1.00 0.37 C ATOM 681 OG SER A 79 9.962 -4.802 -3.829 1.00 0.91 O ATOM 0 H SER A 79 12.327 -4.692 -3.020 1.00 0.29 H new ATOM 0 HA SER A 79 11.763 -6.133 -5.404 1.00 0.33 H new ATOM 0 HB2 SER A 79 11.054 -3.264 -4.659 1.00 0.37 H new ATOM 0 HB3 SER A 79 10.215 -4.287 -5.808 1.00 0.37 H new ATOM 0 HG SER A 79 9.696 -5.722 -4.037 1.00 0.91 H new ATOM 687 N LYS A 80 14.044 -3.877 -5.584 1.00 0.31 N ATOM 688 CA LYS A 80 15.081 -3.287 -6.432 1.00 0.35 C ATOM 689 C LYS A 80 14.547 -2.094 -7.226 1.00 0.31 C ATOM 690 O LYS A 80 15.112 -1.717 -8.253 1.00 0.38 O ATOM 691 CB LYS A 80 15.665 -4.350 -7.375 1.00 0.47 C ATOM 692 CG LYS A 80 16.245 -5.552 -6.642 1.00 0.63 C ATOM 693 CD LYS A 80 16.642 -6.663 -7.601 1.00 1.03 C ATOM 694 CE LYS A 80 17.086 -7.908 -6.848 1.00 1.56 C ATOM 695 NZ LYS A 80 15.996 -8.469 -6.001 1.00 2.37 N ATOM 0 H LYS A 80 14.214 -3.760 -4.585 1.00 0.31 H new ATOM 0 HA LYS A 80 15.875 -2.918 -5.783 1.00 0.35 H new ATOM 0 HB2 LYS A 80 14.884 -4.690 -8.056 1.00 0.47 H new ATOM 0 HB3 LYS A 80 16.445 -3.895 -7.986 1.00 0.47 H new ATOM 0 HG2 LYS A 80 17.117 -5.240 -6.067 1.00 0.63 H new ATOM 0 HG3 LYS A 80 15.512 -5.932 -5.930 1.00 0.63 H new ATOM 0 HD2 LYS A 80 15.799 -6.907 -8.248 1.00 1.03 H new ATOM 0 HD3 LYS A 80 17.450 -6.318 -8.247 1.00 1.03 H new ATOM 0 HE2 LYS A 80 17.416 -8.664 -7.561 1.00 1.56 H new ATOM 0 HE3 LYS A 80 17.944 -7.665 -6.221 1.00 1.56 H new ATOM 0 HZ1 LYS A 80 16.314 -9.362 -5.573 1.00 2.37 H new ATOM 0 HZ2 LYS A 80 15.756 -7.791 -5.250 1.00 2.37 H new ATOM 0 HZ3 LYS A 80 15.156 -8.647 -6.588 1.00 2.37 H new ATOM 709 N LEU A 81 13.475 -1.489 -6.729 1.00 0.30 N ATOM 710 CA LEU A 81 12.891 -0.320 -7.366 1.00 0.32 C ATOM 711 C LEU A 81 13.541 0.943 -6.814 1.00 0.33 C ATOM 712 O LEU A 81 14.096 0.931 -5.719 1.00 0.35 O ATOM 713 CB LEU A 81 11.376 -0.283 -7.132 1.00 0.35 C ATOM 714 CG LEU A 81 10.605 -1.507 -7.633 1.00 0.47 C ATOM 715 CD1 LEU A 81 9.121 -1.365 -7.325 1.00 1.35 C ATOM 716 CD2 LEU A 81 10.830 -1.711 -9.125 1.00 0.87 C ATOM 0 H LEU A 81 12.992 -1.792 -5.883 1.00 0.30 H new ATOM 0 HA LEU A 81 13.071 -0.375 -8.440 1.00 0.32 H new ATOM 0 HB2 LEU A 81 11.193 -0.172 -6.063 1.00 0.35 H new ATOM 0 HB3 LEU A 81 10.972 0.604 -7.619 1.00 0.35 H new ATOM 0 HG LEU A 81 10.980 -2.387 -7.111 1.00 0.47 H new ATOM 0 HD11 LEU A 81 8.588 -2.244 -7.688 1.00 1.35 H new ATOM 0 HD12 LEU A 81 8.980 -1.274 -6.248 1.00 1.35 H new ATOM 0 HD13 LEU A 81 8.731 -0.475 -7.818 1.00 1.35 H new ATOM 0 HD21 LEU A 81 10.273 -2.586 -9.461 1.00 0.87 H new ATOM 0 HD22 LEU A 81 10.486 -0.831 -9.669 1.00 0.87 H new ATOM 0 HD23 LEU A 81 11.893 -1.862 -9.315 1.00 0.87 H new ATOM 728 N PRO A 82 13.517 2.035 -7.581 1.00 0.34 N ATOM 729 CA PRO A 82 14.077 3.314 -7.147 1.00 0.38 C ATOM 730 C PRO A 82 13.302 3.917 -5.980 1.00 0.35 C ATOM 731 O PRO A 82 12.084 3.756 -5.878 1.00 0.35 O ATOM 732 CB PRO A 82 13.959 4.201 -8.386 1.00 0.41 C ATOM 733 CG PRO A 82 12.882 3.579 -9.209 1.00 0.44 C ATOM 734 CD PRO A 82 12.952 2.107 -8.937 1.00 0.36 C ATOM 0 HA PRO A 82 15.100 3.207 -6.785 1.00 0.38 H new ATOM 0 HB2 PRO A 82 13.705 5.226 -8.114 1.00 0.41 H new ATOM 0 HB3 PRO A 82 14.901 4.240 -8.934 1.00 0.41 H new ATOM 0 HG2 PRO A 82 11.905 3.979 -8.940 1.00 0.44 H new ATOM 0 HG3 PRO A 82 13.031 3.787 -10.268 1.00 0.44 H new ATOM 0 HD2 PRO A 82 11.967 1.642 -8.987 1.00 0.36 H new ATOM 0 HD3 PRO A 82 13.583 1.594 -9.663 1.00 0.36 H new ATOM 742 N ASN A 83 14.022 4.623 -5.115 1.00 0.35 N ATOM 743 CA ASN A 83 13.455 5.210 -3.903 1.00 0.37 C ATOM 744 C ASN A 83 12.278 6.129 -4.230 1.00 0.33 C ATOM 745 O ASN A 83 11.289 6.176 -3.499 1.00 0.34 O ATOM 746 CB ASN A 83 14.540 5.998 -3.166 1.00 0.47 C ATOM 747 CG ASN A 83 14.119 6.437 -1.779 1.00 1.11 C ATOM 748 OD1 ASN A 83 13.414 5.723 -1.067 1.00 1.94 O ATOM 749 ND2 ASN A 83 14.547 7.626 -1.394 1.00 1.73 N ATOM 0 H ASN A 83 15.018 4.806 -5.234 1.00 0.35 H new ATOM 0 HA ASN A 83 13.086 4.404 -3.269 1.00 0.37 H new ATOM 0 HB2 ASN A 83 15.437 5.384 -3.089 1.00 0.47 H new ATOM 0 HB3 ASN A 83 14.805 6.877 -3.754 1.00 0.47 H new ATOM 0 HD21 ASN A 83 14.294 7.985 -0.473 1.00 1.73 H new ATOM 0 HD22 ASN A 83 15.130 8.185 -2.017 1.00 1.73 H new ATOM 756 N THR A 84 12.394 6.844 -5.342 1.00 0.35 N ATOM 757 CA THR A 84 11.347 7.750 -5.799 1.00 0.39 C ATOM 758 C THR A 84 10.034 6.998 -6.053 1.00 0.32 C ATOM 759 O THR A 84 8.960 7.400 -5.580 1.00 0.33 O ATOM 760 CB THR A 84 11.795 8.459 -7.089 1.00 0.48 C ATOM 761 OG1 THR A 84 13.146 8.917 -6.942 1.00 1.02 O ATOM 762 CG2 THR A 84 10.889 9.638 -7.404 1.00 1.04 C ATOM 0 H THR A 84 13.212 6.813 -5.950 1.00 0.35 H new ATOM 0 HA THR A 84 11.173 8.488 -5.016 1.00 0.39 H new ATOM 0 HB THR A 84 11.733 7.747 -7.912 1.00 0.48 H new ATOM 0 HG1 THR A 84 13.430 9.367 -7.765 1.00 1.02 H new ATOM 0 HG21 THR A 84 11.227 10.122 -8.320 1.00 1.04 H new ATOM 0 HG22 THR A 84 9.866 9.286 -7.536 1.00 1.04 H new ATOM 0 HG23 THR A 84 10.923 10.353 -6.582 1.00 1.04 H new ATOM 770 N VAL A 85 10.131 5.891 -6.783 1.00 0.30 N ATOM 771 CA VAL A 85 8.963 5.075 -7.087 1.00 0.28 C ATOM 772 C VAL A 85 8.436 4.421 -5.819 1.00 0.22 C ATOM 773 O VAL A 85 7.224 4.326 -5.620 1.00 0.20 O ATOM 774 CB VAL A 85 9.278 3.998 -8.151 1.00 0.33 C ATOM 775 CG1 VAL A 85 8.091 3.068 -8.357 1.00 0.34 C ATOM 776 CG2 VAL A 85 9.662 4.667 -9.462 1.00 0.41 C ATOM 0 H VAL A 85 11.005 5.540 -7.174 1.00 0.30 H new ATOM 0 HA VAL A 85 8.198 5.733 -7.499 1.00 0.28 H new ATOM 0 HB VAL A 85 10.115 3.397 -7.797 1.00 0.33 H new ATOM 0 HG11 VAL A 85 8.341 2.321 -9.110 1.00 0.34 H new ATOM 0 HG12 VAL A 85 7.852 2.570 -7.417 1.00 0.34 H new ATOM 0 HG13 VAL A 85 7.229 3.646 -8.691 1.00 0.34 H new ATOM 0 HG21 VAL A 85 9.883 3.904 -10.209 1.00 0.41 H new ATOM 0 HG22 VAL A 85 8.836 5.287 -9.810 1.00 0.41 H new ATOM 0 HG23 VAL A 85 10.543 5.290 -9.308 1.00 0.41 H new ATOM 786 N LEU A 86 9.352 3.996 -4.954 1.00 0.24 N ATOM 787 CA LEU A 86 8.980 3.438 -3.657 1.00 0.25 C ATOM 788 C LEU A 86 8.152 4.441 -2.860 1.00 0.21 C ATOM 789 O LEU A 86 7.155 4.079 -2.231 1.00 0.23 O ATOM 790 CB LEU A 86 10.226 3.044 -2.859 1.00 0.33 C ATOM 791 CG LEU A 86 11.128 2.001 -3.522 1.00 0.37 C ATOM 792 CD1 LEU A 86 12.305 1.671 -2.622 1.00 0.44 C ATOM 793 CD2 LEU A 86 10.347 0.739 -3.858 1.00 0.37 C ATOM 0 H LEU A 86 10.357 4.027 -5.127 1.00 0.24 H new ATOM 0 HA LEU A 86 8.380 2.545 -3.834 1.00 0.25 H new ATOM 0 HB2 LEU A 86 10.815 3.942 -2.671 1.00 0.33 H new ATOM 0 HB3 LEU A 86 9.909 2.661 -1.889 1.00 0.33 H new ATOM 0 HG LEU A 86 11.506 2.423 -4.453 1.00 0.37 H new ATOM 0 HD11 LEU A 86 12.937 0.928 -3.108 1.00 0.44 H new ATOM 0 HD12 LEU A 86 12.885 2.575 -2.436 1.00 0.44 H new ATOM 0 HD13 LEU A 86 11.939 1.273 -1.675 1.00 0.44 H new ATOM 0 HD21 LEU A 86 11.012 0.014 -4.328 1.00 0.37 H new ATOM 0 HD22 LEU A 86 9.934 0.313 -2.944 1.00 0.37 H new ATOM 0 HD23 LEU A 86 9.536 0.985 -4.543 1.00 0.37 H new ATOM 805 N GLY A 87 8.571 5.706 -2.900 1.00 0.21 N ATOM 806 CA GLY A 87 7.832 6.765 -2.237 1.00 0.22 C ATOM 807 C GLY A 87 6.428 6.906 -2.780 1.00 0.21 C ATOM 808 O GLY A 87 5.476 7.107 -2.017 1.00 0.23 O ATOM 0 H GLY A 87 9.414 6.015 -3.383 1.00 0.21 H new ATOM 0 HA2 GLY A 87 7.787 6.560 -1.167 1.00 0.22 H new ATOM 0 HA3 GLY A 87 8.364 7.709 -2.359 1.00 0.22 H new ATOM 812 N LYS A 88 6.295 6.803 -4.100 1.00 0.22 N ATOM 813 CA LYS A 88 4.983 6.839 -4.732 1.00 0.29 C ATOM 814 C LYS A 88 4.130 5.657 -4.280 1.00 0.22 C ATOM 815 O LYS A 88 2.975 5.837 -3.894 1.00 0.24 O ATOM 816 CB LYS A 88 5.098 6.845 -6.260 1.00 0.48 C ATOM 817 CG LYS A 88 5.435 8.207 -6.846 1.00 0.97 C ATOM 818 CD LYS A 88 5.408 8.180 -8.366 1.00 0.80 C ATOM 819 CE LYS A 88 5.560 9.575 -8.965 1.00 1.23 C ATOM 820 NZ LYS A 88 6.847 10.224 -8.588 1.00 1.71 N ATOM 0 H LYS A 88 7.076 6.695 -4.748 1.00 0.22 H new ATOM 0 HA LYS A 88 4.498 7.764 -4.421 1.00 0.29 H new ATOM 0 HB2 LYS A 88 5.865 6.131 -6.560 1.00 0.48 H new ATOM 0 HB3 LYS A 88 4.157 6.499 -6.687 1.00 0.48 H new ATOM 0 HG2 LYS A 88 4.723 8.948 -6.481 1.00 0.97 H new ATOM 0 HG3 LYS A 88 6.422 8.518 -6.504 1.00 0.97 H new ATOM 0 HD2 LYS A 88 6.210 7.539 -8.732 1.00 0.80 H new ATOM 0 HD3 LYS A 88 4.470 7.740 -8.704 1.00 0.80 H new ATOM 0 HE2 LYS A 88 5.495 9.509 -10.051 1.00 1.23 H new ATOM 0 HE3 LYS A 88 4.731 10.201 -8.634 1.00 1.23 H new ATOM 0 HZ1 LYS A 88 6.922 11.147 -9.061 1.00 1.71 H new ATOM 0 HZ2 LYS A 88 6.878 10.360 -7.557 1.00 1.71 H new ATOM 0 HZ3 LYS A 88 7.640 9.619 -8.882 1.00 1.71 H new ATOM 834 N ILE A 89 4.714 4.456 -4.314 1.00 0.20 N ATOM 835 CA ILE A 89 4.014 3.239 -3.896 1.00 0.20 C ATOM 836 C ILE A 89 3.443 3.411 -2.499 1.00 0.19 C ATOM 837 O ILE A 89 2.285 3.079 -2.246 1.00 0.21 O ATOM 838 CB ILE A 89 4.950 2.004 -3.901 1.00 0.23 C ATOM 839 CG1 ILE A 89 5.537 1.784 -5.296 1.00 0.31 C ATOM 840 CG2 ILE A 89 4.204 0.758 -3.442 1.00 0.22 C ATOM 841 CD1 ILE A 89 6.521 0.632 -5.379 1.00 0.40 C ATOM 0 H ILE A 89 5.672 4.301 -4.628 1.00 0.20 H new ATOM 0 HA ILE A 89 3.211 3.072 -4.614 1.00 0.20 H new ATOM 0 HB ILE A 89 5.766 2.194 -3.203 1.00 0.23 H new ATOM 0 HG12 ILE A 89 4.722 1.603 -5.997 1.00 0.31 H new ATOM 0 HG13 ILE A 89 6.036 2.698 -5.617 1.00 0.31 H new ATOM 0 HG21 ILE A 89 4.881 -0.096 -3.454 1.00 0.22 H new ATOM 0 HG22 ILE A 89 3.829 0.910 -2.430 1.00 0.22 H new ATOM 0 HG23 ILE A 89 3.367 0.567 -4.114 1.00 0.22 H new ATOM 0 HD11 ILE A 89 6.891 0.542 -6.400 1.00 0.40 H new ATOM 0 HD12 ILE A 89 7.357 0.818 -4.705 1.00 0.40 H new ATOM 0 HD13 ILE A 89 6.023 -0.294 -5.091 1.00 0.40 H new ATOM 853 N TRP A 90 4.260 3.950 -1.606 1.00 0.19 N ATOM 854 CA TRP A 90 3.847 4.173 -0.234 1.00 0.22 C ATOM 855 C TRP A 90 2.640 5.101 -0.172 1.00 0.24 C ATOM 856 O TRP A 90 1.627 4.765 0.425 1.00 0.28 O ATOM 857 CB TRP A 90 4.990 4.765 0.589 1.00 0.25 C ATOM 858 CG TRP A 90 4.660 4.846 2.045 1.00 0.30 C ATOM 859 CD1 TRP A 90 3.929 5.815 2.669 1.00 0.45 C ATOM 860 CD2 TRP A 90 5.024 3.905 3.053 1.00 0.23 C ATOM 861 NE1 TRP A 90 3.817 5.531 4.004 1.00 0.46 N ATOM 862 CE2 TRP A 90 4.485 4.367 4.266 1.00 0.32 C ATOM 863 CE3 TRP A 90 5.755 2.717 3.048 1.00 0.16 C ATOM 864 CZ2 TRP A 90 4.646 3.678 5.458 1.00 0.29 C ATOM 865 CZ3 TRP A 90 5.919 2.036 4.237 1.00 0.18 C ATOM 866 CH2 TRP A 90 5.367 2.519 5.428 1.00 0.19 C ATOM 0 H TRP A 90 5.216 4.241 -1.811 1.00 0.19 H new ATOM 0 HA TRP A 90 3.571 3.206 0.187 1.00 0.22 H new ATOM 0 HB2 TRP A 90 5.884 4.156 0.455 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.224 5.762 0.216 1.00 0.25 H new ATOM 0 HD1 TRP A 90 3.502 6.679 2.182 1.00 0.45 H new ATOM 0 HE1 TRP A 90 3.317 6.096 4.691 1.00 0.46 H new ATOM 0 HE3 TRP A 90 6.184 2.338 2.132 1.00 0.16 H new ATOM 0 HZ2 TRP A 90 4.216 4.045 6.378 1.00 0.29 H new ATOM 0 HZ3 TRP A 90 6.483 1.115 4.248 1.00 0.18 H new ATOM 0 HH2 TRP A 90 5.514 1.964 6.343 1.00 0.19 H new ATOM 877 N LYS A 91 2.743 6.260 -0.813 1.00 0.24 N ATOM 878 CA LYS A 91 1.693 7.276 -0.723 1.00 0.30 C ATOM 879 C LYS A 91 0.390 6.826 -1.390 1.00 0.29 C ATOM 880 O LYS A 91 -0.654 7.446 -1.206 1.00 0.36 O ATOM 881 CB LYS A 91 2.177 8.592 -1.326 1.00 0.40 C ATOM 882 CG LYS A 91 3.291 9.238 -0.520 1.00 0.53 C ATOM 883 CD LYS A 91 3.743 10.551 -1.129 1.00 1.04 C ATOM 884 CE LYS A 91 4.764 11.243 -0.242 1.00 1.51 C ATOM 885 NZ LYS A 91 5.966 10.401 -0.012 1.00 2.40 N ATOM 0 H LYS A 91 3.537 6.521 -1.398 1.00 0.24 H new ATOM 0 HA LYS A 91 1.475 7.425 0.335 1.00 0.30 H new ATOM 0 HB2 LYS A 91 2.528 8.413 -2.342 1.00 0.40 H new ATOM 0 HB3 LYS A 91 1.338 9.284 -1.396 1.00 0.40 H new ATOM 0 HG2 LYS A 91 2.948 9.410 0.500 1.00 0.53 H new ATOM 0 HG3 LYS A 91 4.138 8.555 -0.460 1.00 0.53 H new ATOM 0 HD2 LYS A 91 4.175 10.369 -2.113 1.00 1.04 H new ATOM 0 HD3 LYS A 91 2.882 11.203 -1.275 1.00 1.04 H new ATOM 0 HE2 LYS A 91 5.064 12.185 -0.702 1.00 1.51 H new ATOM 0 HE3 LYS A 91 4.305 11.488 0.716 1.00 1.51 H new ATOM 0 HZ1 LYS A 91 5.929 9.997 0.946 1.00 2.40 H new ATOM 0 HZ2 LYS A 91 5.990 9.632 -0.711 1.00 2.40 H new ATOM 0 HZ3 LYS A 91 6.822 10.984 -0.109 1.00 2.40 H new ATOM 899 N LEU A 92 0.461 5.760 -2.170 1.00 0.27 N ATOM 900 CA LEU A 92 -0.731 5.182 -2.777 1.00 0.32 C ATOM 901 C LEU A 92 -1.290 4.069 -1.906 1.00 0.30 C ATOM 902 O LEU A 92 -2.501 3.924 -1.760 1.00 0.43 O ATOM 903 CB LEU A 92 -0.389 4.624 -4.147 1.00 0.40 C ATOM 904 CG LEU A 92 0.207 5.630 -5.120 1.00 0.59 C ATOM 905 CD1 LEU A 92 0.836 4.898 -6.285 1.00 0.85 C ATOM 906 CD2 LEU A 92 -0.861 6.599 -5.599 1.00 1.08 C ATOM 0 H LEU A 92 1.329 5.276 -2.399 1.00 0.27 H new ATOM 0 HA LEU A 92 -1.483 5.965 -2.874 1.00 0.32 H new ATOM 0 HB2 LEU A 92 0.315 3.801 -4.022 1.00 0.40 H new ATOM 0 HB3 LEU A 92 -1.294 4.206 -4.589 1.00 0.40 H new ATOM 0 HG LEU A 92 0.980 6.208 -4.613 1.00 0.59 H new ATOM 0 HD11 LEU A 92 1.262 5.620 -6.981 1.00 0.85 H new ATOM 0 HD12 LEU A 92 1.623 4.239 -5.918 1.00 0.85 H new ATOM 0 HD13 LEU A 92 0.076 4.307 -6.796 1.00 0.85 H new ATOM 0 HD21 LEU A 92 -0.419 7.313 -6.294 1.00 1.08 H new ATOM 0 HD22 LEU A 92 -1.655 6.046 -6.102 1.00 1.08 H new ATOM 0 HD23 LEU A 92 -1.276 7.134 -4.745 1.00 1.08 H new ATOM 918 N ALA A 93 -0.392 3.279 -1.342 1.00 0.22 N ATOM 919 CA ALA A 93 -0.776 2.134 -0.536 1.00 0.21 C ATOM 920 C ALA A 93 -1.203 2.553 0.863 1.00 0.19 C ATOM 921 O ALA A 93 -2.125 1.974 1.433 1.00 0.30 O ATOM 922 CB ALA A 93 0.367 1.140 -0.462 1.00 0.23 C ATOM 0 H ALA A 93 0.616 3.412 -1.429 1.00 0.22 H new ATOM 0 HA ALA A 93 -1.632 1.660 -1.016 1.00 0.21 H new ATOM 0 HB1 ALA A 93 0.067 0.286 0.145 1.00 0.23 H new ATOM 0 HB2 ALA A 93 0.620 0.801 -1.467 1.00 0.23 H new ATOM 0 HB3 ALA A 93 1.237 1.618 -0.011 1.00 0.23 H new ATOM 928 N ASP A 94 -0.542 3.568 1.408 1.00 0.18 N ATOM 929 CA ASP A 94 -0.849 4.043 2.760 1.00 0.18 C ATOM 930 C ASP A 94 -2.028 5.008 2.704 1.00 0.33 C ATOM 931 O ASP A 94 -1.884 6.222 2.866 1.00 0.45 O ATOM 932 CB ASP A 94 0.383 4.699 3.417 1.00 0.30 C ATOM 933 CG ASP A 94 0.203 5.013 4.907 1.00 0.25 C ATOM 934 OD1 ASP A 94 -0.653 4.379 5.571 1.00 0.30 O ATOM 935 OD2 ASP A 94 0.938 5.888 5.428 1.00 0.31 O ATOM 0 H ASP A 94 0.207 4.078 0.940 1.00 0.18 H new ATOM 0 HA ASP A 94 -1.122 3.189 3.380 1.00 0.18 H new ATOM 0 HB2 ASP A 94 1.241 4.038 3.297 1.00 0.30 H new ATOM 0 HB3 ASP A 94 0.616 5.623 2.887 1.00 0.30 H new ATOM 940 N VAL A 95 -3.201 4.445 2.429 1.00 0.51 N ATOM 941 CA VAL A 95 -4.445 5.202 2.344 1.00 0.71 C ATOM 942 C VAL A 95 -4.943 5.523 3.742 1.00 0.72 C ATOM 943 O VAL A 95 -5.810 6.375 3.942 1.00 0.80 O ATOM 944 CB VAL A 95 -5.537 4.405 1.595 1.00 0.97 C ATOM 945 CG1 VAL A 95 -5.032 3.957 0.239 1.00 1.28 C ATOM 946 CG2 VAL A 95 -6.003 3.204 2.410 1.00 0.95 C ATOM 0 H VAL A 95 -3.315 3.446 2.258 1.00 0.51 H new ATOM 0 HA VAL A 95 -4.242 6.120 1.793 1.00 0.71 H new ATOM 0 HB VAL A 95 -6.392 5.066 1.451 1.00 0.97 H new ATOM 0 HG11 VAL A 95 -5.814 3.397 -0.274 1.00 1.28 H new ATOM 0 HG12 VAL A 95 -4.761 4.830 -0.355 1.00 1.28 H new ATOM 0 HG13 VAL A 95 -4.156 3.321 0.369 1.00 1.28 H new ATOM 0 HG21 VAL A 95 -6.771 2.664 1.856 1.00 0.95 H new ATOM 0 HG22 VAL A 95 -5.158 2.542 2.598 1.00 0.95 H new ATOM 0 HG23 VAL A 95 -6.414 3.546 3.360 1.00 0.95 H new ATOM 956 N ASP A 96 -4.389 4.795 4.694 1.00 0.70 N ATOM 957 CA ASP A 96 -4.684 4.965 6.105 1.00 0.78 C ATOM 958 C ASP A 96 -3.779 6.048 6.682 1.00 0.75 C ATOM 959 O ASP A 96 -4.084 6.666 7.706 1.00 0.88 O ATOM 960 CB ASP A 96 -4.521 3.589 6.768 1.00 0.96 C ATOM 961 CG ASP A 96 -4.305 3.581 8.260 1.00 0.75 C ATOM 962 OD1 ASP A 96 -5.042 4.256 9.005 1.00 1.02 O ATOM 963 OD2 ASP A 96 -3.395 2.832 8.690 1.00 1.12 O ATOM 0 H ASP A 96 -3.710 4.057 4.506 1.00 0.70 H new ATOM 0 HA ASP A 96 -5.703 5.306 6.288 1.00 0.78 H new ATOM 0 HB2 ASP A 96 -5.410 2.998 6.549 1.00 0.96 H new ATOM 0 HB3 ASP A 96 -3.678 3.082 6.299 1.00 0.96 H new ATOM 968 N LYS A 97 -2.678 6.287 5.974 1.00 0.66 N ATOM 969 CA LYS A 97 -1.824 7.459 6.177 1.00 0.70 C ATOM 970 C LYS A 97 -1.252 7.490 7.585 1.00 0.70 C ATOM 971 O LYS A 97 -1.145 8.556 8.202 1.00 0.86 O ATOM 972 CB LYS A 97 -2.607 8.753 5.905 1.00 0.86 C ATOM 973 CG LYS A 97 -3.524 8.673 4.694 1.00 0.89 C ATOM 974 CD LYS A 97 -4.101 10.030 4.341 1.00 1.15 C ATOM 975 CE LYS A 97 -5.147 9.923 3.240 1.00 1.38 C ATOM 976 NZ LYS A 97 -5.740 11.245 2.902 1.00 1.68 N ATOM 0 H LYS A 97 -2.348 5.667 5.234 1.00 0.66 H new ATOM 0 HA LYS A 97 -0.996 7.387 5.471 1.00 0.70 H new ATOM 0 HB2 LYS A 97 -3.203 8.998 6.784 1.00 0.86 H new ATOM 0 HB3 LYS A 97 -1.901 9.571 5.761 1.00 0.86 H new ATOM 0 HG2 LYS A 97 -2.969 8.280 3.842 1.00 0.89 H new ATOM 0 HG3 LYS A 97 -4.335 7.973 4.896 1.00 0.89 H new ATOM 0 HD2 LYS A 97 -4.549 10.478 5.228 1.00 1.15 H new ATOM 0 HD3 LYS A 97 -3.299 10.695 4.019 1.00 1.15 H new ATOM 0 HE2 LYS A 97 -4.692 9.492 2.349 1.00 1.38 H new ATOM 0 HE3 LYS A 97 -5.937 9.242 3.556 1.00 1.38 H new ATOM 0 HZ1 LYS A 97 -6.447 11.126 2.148 1.00 1.68 H new ATOM 0 HZ2 LYS A 97 -6.197 11.646 3.745 1.00 1.68 H new ATOM 0 HZ3 LYS A 97 -4.991 11.888 2.576 1.00 1.68 H new ATOM 990 N ASP A 98 -0.854 6.331 8.087 1.00 0.56 N ATOM 991 CA ASP A 98 -0.403 6.240 9.466 1.00 0.59 C ATOM 992 C ASP A 98 1.076 5.886 9.542 1.00 0.45 C ATOM 993 O ASP A 98 1.605 5.624 10.621 1.00 0.46 O ATOM 994 CB ASP A 98 -1.234 5.208 10.233 1.00 0.67 C ATOM 995 CG ASP A 98 -0.913 3.770 9.865 1.00 0.62 C ATOM 996 OD1 ASP A 98 -0.950 3.417 8.658 1.00 0.58 O ATOM 997 OD2 ASP A 98 -0.669 2.971 10.781 1.00 0.71 O ATOM 0 H ASP A 98 -0.834 5.453 7.569 1.00 0.56 H new ATOM 0 HA ASP A 98 -0.540 7.218 9.927 1.00 0.59 H new ATOM 0 HB2 ASP A 98 -1.071 5.345 11.302 1.00 0.67 H new ATOM 0 HB3 ASP A 98 -2.291 5.394 10.045 1.00 0.67 H new ATOM 1002 N GLY A 99 1.749 5.906 8.396 1.00 0.39 N ATOM 1003 CA GLY A 99 3.181 5.664 8.369 1.00 0.38 C ATOM 1004 C GLY A 99 3.506 4.203 8.474 1.00 0.29 C ATOM 1005 O GLY A 99 4.670 3.797 8.439 1.00 0.39 O ATOM 0 H GLY A 99 1.328 6.086 7.484 1.00 0.39 H new ATOM 0 HA2 GLY A 99 3.599 6.063 7.445 1.00 0.38 H new ATOM 0 HA3 GLY A 99 3.655 6.201 9.191 1.00 0.38 H new ATOM 1009 N LEU A 100 2.465 3.416 8.620 1.00 0.28 N ATOM 1010 CA LEU A 100 2.579 1.997 8.806 1.00 0.33 C ATOM 1011 C LEU A 100 1.845 1.302 7.690 1.00 0.29 C ATOM 1012 O LEU A 100 0.700 1.657 7.385 1.00 0.39 O ATOM 1013 CB LEU A 100 1.917 1.600 10.119 1.00 0.53 C ATOM 1014 CG LEU A 100 2.637 1.935 11.435 1.00 0.59 C ATOM 1015 CD1 LEU A 100 3.321 0.709 11.995 1.00 1.37 C ATOM 1016 CD2 LEU A 100 3.651 3.032 11.278 1.00 1.11 C ATOM 0 H LEU A 100 1.503 3.754 8.612 1.00 0.28 H new ATOM 0 HA LEU A 100 3.632 1.717 8.815 1.00 0.33 H new ATOM 0 HB2 LEU A 100 0.934 2.070 10.150 1.00 0.53 H new ATOM 0 HB3 LEU A 100 1.754 0.522 10.095 1.00 0.53 H new ATOM 0 HG LEU A 100 1.868 2.284 12.124 1.00 0.59 H new ATOM 0 HD11 LEU A 100 3.825 0.967 12.926 1.00 1.37 H new ATOM 0 HD12 LEU A 100 2.579 -0.066 12.186 1.00 1.37 H new ATOM 0 HD13 LEU A 100 4.053 0.341 11.276 1.00 1.37 H new ATOM 0 HD21 LEU A 100 4.128 3.227 12.238 1.00 1.11 H new ATOM 0 HD22 LEU A 100 4.406 2.729 10.553 1.00 1.11 H new ATOM 0 HD23 LEU A 100 3.156 3.938 10.929 1.00 1.11 H new ATOM 1028 N LEU A 101 2.447 0.302 7.095 1.00 0.28 N ATOM 1029 CA LEU A 101 1.713 -0.474 6.138 1.00 0.27 C ATOM 1030 C LEU A 101 0.910 -1.505 6.891 1.00 0.27 C ATOM 1031 O LEU A 101 1.456 -2.440 7.478 1.00 0.31 O ATOM 1032 CB LEU A 101 2.635 -1.155 5.124 1.00 0.29 C ATOM 1033 CG LEU A 101 3.328 -0.221 4.129 1.00 0.30 C ATOM 1034 CD1 LEU A 101 4.192 -1.020 3.169 1.00 0.34 C ATOM 1035 CD2 LEU A 101 2.306 0.597 3.356 1.00 0.34 C ATOM 0 H LEU A 101 3.413 0.015 7.252 1.00 0.28 H new ATOM 0 HA LEU A 101 1.058 0.187 5.571 1.00 0.27 H new ATOM 0 HB2 LEU A 101 3.400 -1.708 5.669 1.00 0.29 H new ATOM 0 HB3 LEU A 101 2.052 -1.886 4.563 1.00 0.29 H new ATOM 0 HG LEU A 101 3.964 0.463 4.690 1.00 0.30 H new ATOM 0 HD11 LEU A 101 4.678 -0.342 2.467 1.00 0.34 H new ATOM 0 HD12 LEU A 101 4.950 -1.567 3.730 1.00 0.34 H new ATOM 0 HD13 LEU A 101 3.569 -1.725 2.619 1.00 0.34 H new ATOM 0 HD21 LEU A 101 2.821 1.254 2.655 1.00 0.34 H new ATOM 0 HD22 LEU A 101 1.644 -0.073 2.807 1.00 0.34 H new ATOM 0 HD23 LEU A 101 1.719 1.197 4.051 1.00 0.34 H new ATOM 1047 N ASP A 102 -0.390 -1.298 6.918 1.00 0.28 N ATOM 1048 CA ASP A 102 -1.305 -2.290 7.434 1.00 0.33 C ATOM 1049 C ASP A 102 -1.365 -3.432 6.429 1.00 0.26 C ATOM 1050 O ASP A 102 -0.833 -3.295 5.330 1.00 0.24 O ATOM 1051 CB ASP A 102 -2.687 -1.666 7.656 1.00 0.44 C ATOM 1052 CG ASP A 102 -2.692 -0.602 8.746 1.00 0.82 C ATOM 1053 OD1 ASP A 102 -2.116 0.505 8.539 1.00 1.06 O ATOM 1054 OD2 ASP A 102 -3.286 -0.849 9.811 1.00 1.39 O ATOM 0 H ASP A 102 -0.838 -0.444 6.585 1.00 0.28 H new ATOM 0 HA ASP A 102 -0.965 -2.670 8.398 1.00 0.33 H new ATOM 0 HB2 ASP A 102 -3.034 -1.223 6.722 1.00 0.44 H new ATOM 0 HB3 ASP A 102 -3.396 -2.451 7.919 1.00 0.44 H new ATOM 1059 N ASP A 103 -2.009 -4.537 6.780 1.00 0.32 N ATOM 1060 CA ASP A 103 -1.994 -5.728 5.926 1.00 0.35 C ATOM 1061 C ASP A 103 -2.536 -5.415 4.530 1.00 0.26 C ATOM 1062 O ASP A 103 -1.963 -5.836 3.520 1.00 0.24 O ATOM 1063 CB ASP A 103 -2.782 -6.879 6.575 1.00 0.56 C ATOM 1064 CG ASP A 103 -4.267 -6.604 6.706 1.00 0.77 C ATOM 1065 OD1 ASP A 103 -4.644 -5.731 7.514 1.00 1.69 O ATOM 1066 OD2 ASP A 103 -5.061 -7.263 5.998 1.00 1.17 O ATOM 0 H ASP A 103 -2.545 -4.639 7.642 1.00 0.32 H new ATOM 0 HA ASP A 103 -0.957 -6.046 5.817 1.00 0.35 H new ATOM 0 HB2 ASP A 103 -2.640 -7.783 5.983 1.00 0.56 H new ATOM 0 HB3 ASP A 103 -2.370 -7.077 7.564 1.00 0.56 H new ATOM 1071 N GLU A 104 -3.607 -4.641 4.475 1.00 0.26 N ATOM 1072 CA GLU A 104 -4.221 -4.276 3.202 1.00 0.25 C ATOM 1073 C GLU A 104 -3.303 -3.342 2.421 1.00 0.22 C ATOM 1074 O GLU A 104 -3.113 -3.494 1.212 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.568 -3.593 3.437 1.00 0.32 C ATOM 1076 CG GLU A 104 -6.307 -4.123 4.649 1.00 0.32 C ATOM 1077 CD GLU A 104 -7.746 -3.657 4.710 1.00 1.28 C ATOM 1078 OE1 GLU A 104 -8.005 -2.461 4.463 1.00 2.29 O ATOM 1079 OE2 GLU A 104 -8.625 -4.492 5.010 1.00 1.38 O ATOM 0 H GLU A 104 -4.072 -4.251 5.295 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.380 -5.186 2.624 1.00 0.25 H new ATOM 0 HB2 GLU A 104 -5.408 -2.522 3.558 1.00 0.32 H new ATOM 0 HB3 GLU A 104 -6.193 -3.724 2.553 1.00 0.32 H new ATOM 0 HG2 GLU A 104 -6.283 -5.213 4.635 1.00 0.32 H new ATOM 0 HG3 GLU A 104 -5.788 -3.804 5.553 1.00 0.32 H new ATOM 1086 N GLU A 105 -2.713 -2.394 3.134 1.00 0.18 N ATOM 1087 CA GLU A 105 -1.866 -1.383 2.523 1.00 0.18 C ATOM 1088 C GLU A 105 -0.597 -2.014 1.960 1.00 0.17 C ATOM 1089 O GLU A 105 -0.136 -1.650 0.881 1.00 0.17 O ATOM 1090 CB GLU A 105 -1.523 -0.302 3.551 1.00 0.20 C ATOM 1091 CG GLU A 105 -2.746 0.241 4.271 1.00 0.24 C ATOM 1092 CD GLU A 105 -2.465 1.497 5.066 1.00 0.31 C ATOM 1093 OE1 GLU A 105 -1.897 1.380 6.157 1.00 0.34 O ATOM 1094 OE2 GLU A 105 -2.784 2.612 4.589 1.00 0.39 O ATOM 0 H GLU A 105 -2.807 -2.305 4.146 1.00 0.18 H new ATOM 0 HA GLU A 105 -2.407 -0.922 1.697 1.00 0.18 H new ATOM 0 HB2 GLU A 105 -0.829 -0.713 4.284 1.00 0.20 H new ATOM 0 HB3 GLU A 105 -1.009 0.518 3.050 1.00 0.20 H new ATOM 0 HG2 GLU A 105 -3.527 0.450 3.539 1.00 0.24 H new ATOM 0 HG3 GLU A 105 -3.134 -0.526 4.942 1.00 0.24 H new ATOM 1101 N PHE A 106 -0.059 -2.985 2.687 1.00 0.17 N ATOM 1102 CA PHE A 106 1.151 -3.682 2.271 1.00 0.18 C ATOM 1103 C PHE A 106 0.855 -4.626 1.107 1.00 0.18 C ATOM 1104 O PHE A 106 1.730 -4.913 0.286 1.00 0.21 O ATOM 1105 CB PHE A 106 1.745 -4.452 3.455 1.00 0.21 C ATOM 1106 CG PHE A 106 2.983 -5.237 3.123 1.00 0.22 C ATOM 1107 CD1 PHE A 106 4.085 -4.607 2.576 1.00 0.25 C ATOM 1108 CD2 PHE A 106 3.047 -6.602 3.364 1.00 0.25 C ATOM 1109 CE1 PHE A 106 5.228 -5.319 2.270 1.00 0.28 C ATOM 1110 CE2 PHE A 106 4.186 -7.320 3.060 1.00 0.29 C ATOM 1111 CZ PHE A 106 5.263 -6.700 2.504 1.00 0.29 C ATOM 0 H PHE A 106 -0.445 -3.309 3.574 1.00 0.17 H new ATOM 0 HA PHE A 106 1.880 -2.946 1.932 1.00 0.18 H new ATOM 0 HB2 PHE A 106 1.979 -3.746 4.252 1.00 0.21 H new ATOM 0 HB3 PHE A 106 0.990 -5.134 3.845 1.00 0.21 H new ATOM 0 HD1 PHE A 106 4.052 -3.544 2.385 1.00 0.25 H new ATOM 0 HD2 PHE A 106 2.196 -7.108 3.794 1.00 0.25 H new ATOM 0 HE1 PHE A 106 6.088 -4.815 1.854 1.00 0.28 H new ATOM 0 HE2 PHE A 106 4.223 -8.380 3.264 1.00 0.29 H new ATOM 0 HZ PHE A 106 6.142 -7.271 2.244 1.00 0.29 H new ATOM 1121 N ALA A 107 -0.391 -5.060 1.003 1.00 0.19 N ATOM 1122 CA ALA A 107 -0.776 -5.993 -0.040 1.00 0.24 C ATOM 1123 C ALA A 107 -0.936 -5.220 -1.332 1.00 0.23 C ATOM 1124 O ALA A 107 -0.492 -5.643 -2.400 1.00 0.25 O ATOM 1125 CB ALA A 107 -2.063 -6.718 0.335 1.00 0.34 C ATOM 0 H ALA A 107 -1.149 -4.782 1.626 1.00 0.19 H new ATOM 0 HA ALA A 107 -0.006 -6.755 -0.165 1.00 0.24 H new ATOM 0 HB1 ALA A 107 -2.334 -7.413 -0.460 1.00 0.34 H new ATOM 0 HB2 ALA A 107 -1.913 -7.270 1.263 1.00 0.34 H new ATOM 0 HB3 ALA A 107 -2.864 -5.991 0.471 1.00 0.34 H new ATOM 1131 N LEU A 108 -1.543 -4.054 -1.200 1.00 0.24 N ATOM 1132 CA LEU A 108 -1.671 -3.125 -2.297 1.00 0.28 C ATOM 1133 C LEU A 108 -0.285 -2.621 -2.716 1.00 0.23 C ATOM 1134 O LEU A 108 -0.022 -2.410 -3.902 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.587 -1.973 -1.879 1.00 0.38 C ATOM 1136 CG LEU A 108 -2.632 -0.801 -2.845 1.00 0.93 C ATOM 1137 CD1 LEU A 108 -3.140 -1.242 -4.217 1.00 1.74 C ATOM 1138 CD2 LEU A 108 -3.499 0.319 -2.290 1.00 1.31 C ATOM 0 H LEU A 108 -1.959 -3.729 -0.327 1.00 0.24 H new ATOM 0 HA LEU A 108 -2.118 -3.621 -3.158 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -3.598 -2.360 -1.755 1.00 0.38 H new ATOM 0 HB3 LEU A 108 -2.264 -1.608 -0.904 1.00 0.38 H new ATOM 0 HG LEU A 108 -1.616 -0.424 -2.965 1.00 0.93 H new ATOM 0 HD11 LEU A 108 -3.163 -0.384 -4.889 1.00 1.74 H new ATOM 0 HD12 LEU A 108 -2.475 -2.004 -4.623 1.00 1.74 H new ATOM 0 HD13 LEU A 108 -4.145 -1.652 -4.118 1.00 1.74 H new ATOM 0 HD21 LEU A 108 -3.518 1.149 -2.997 1.00 1.31 H new ATOM 0 HD22 LEU A 108 -4.513 -0.049 -2.135 1.00 1.31 H new ATOM 0 HD23 LEU A 108 -3.088 0.661 -1.340 1.00 1.31 H new ATOM 1150 N ALA A 109 0.602 -2.453 -1.732 1.00 0.23 N ATOM 1151 CA ALA A 109 1.989 -2.071 -1.994 1.00 0.24 C ATOM 1152 C ALA A 109 2.663 -3.077 -2.922 1.00 0.23 C ATOM 1153 O ALA A 109 3.167 -2.715 -3.984 1.00 0.24 O ATOM 1154 CB ALA A 109 2.775 -1.960 -0.690 1.00 0.27 C ATOM 0 H ALA A 109 0.382 -2.576 -0.744 1.00 0.23 H new ATOM 0 HA ALA A 109 1.980 -1.097 -2.482 1.00 0.24 H new ATOM 0 HB1 ALA A 109 3.804 -1.675 -0.909 1.00 0.27 H new ATOM 0 HB2 ALA A 109 2.317 -1.204 -0.052 1.00 0.27 H new ATOM 0 HB3 ALA A 109 2.766 -2.922 -0.177 1.00 0.27 H new ATOM 1160 N ASN A 110 2.649 -4.347 -2.523 1.00 0.24 N ATOM 1161 CA ASN A 110 3.257 -5.408 -3.324 1.00 0.26 C ATOM 1162 C ASN A 110 2.577 -5.522 -4.682 1.00 0.25 C ATOM 1163 O ASN A 110 3.192 -5.940 -5.664 1.00 0.26 O ATOM 1164 CB ASN A 110 3.185 -6.755 -2.600 1.00 0.28 C ATOM 1165 CG ASN A 110 4.007 -6.816 -1.319 1.00 0.31 C ATOM 1166 OD1 ASN A 110 5.118 -6.096 -1.270 1.00 0.70 O flip ATOM 1167 ND2 ASN A 110 3.652 -7.524 -0.382 1.00 0.55 N flip ATOM 0 H ASN A 110 2.225 -4.666 -1.652 1.00 0.24 H new ATOM 0 HA ASN A 110 4.304 -5.144 -3.473 1.00 0.26 H new ATOM 0 HB2 ASN A 110 2.144 -6.972 -2.362 1.00 0.28 H new ATOM 0 HB3 ASN A 110 3.527 -7.538 -3.277 1.00 0.28 H new ATOM 0 HD21 ASN A 110 2.791 -8.067 -0.450 1.00 0.55 H new ATOM 0 HD22 ASN A 110 4.218 -7.570 0.465 1.00 0.55 H new ATOM 1174 N HIS A 111 1.303 -5.151 -4.736 1.00 0.24 N ATOM 1175 CA HIS A 111 0.564 -5.158 -5.988 1.00 0.26 C ATOM 1176 C HIS A 111 1.164 -4.156 -6.971 1.00 0.24 C ATOM 1177 O HIS A 111 1.406 -4.494 -8.124 1.00 0.27 O ATOM 1178 CB HIS A 111 -0.918 -4.847 -5.754 1.00 0.28 C ATOM 1179 CG HIS A 111 -1.757 -4.961 -6.993 1.00 0.44 C ATOM 1180 ND1 HIS A 111 -2.306 -6.153 -7.423 1.00 0.62 N ATOM 1181 CD2 HIS A 111 -2.114 -4.033 -7.912 1.00 0.61 C ATOM 1182 CE1 HIS A 111 -2.957 -5.950 -8.553 1.00 0.75 C ATOM 1183 NE2 HIS A 111 -2.858 -4.674 -8.872 1.00 0.73 N ATOM 0 H HIS A 111 0.763 -4.842 -3.928 1.00 0.24 H new ATOM 0 HA HIS A 111 0.640 -6.158 -6.416 1.00 0.26 H new ATOM 0 HB2 HIS A 111 -1.308 -5.527 -4.997 1.00 0.28 H new ATOM 0 HB3 HIS A 111 -1.010 -3.837 -5.354 1.00 0.28 H new ATOM 0 HD2 HIS A 111 -1.861 -2.983 -7.894 1.00 0.61 H new ATOM 0 HE1 HIS A 111 -3.483 -6.703 -9.121 1.00 0.75 H new ATOM 0 HE2 HIS A 111 -3.267 -4.235 -9.697 1.00 0.73 H new ATOM 1192 N LEU A 112 1.413 -2.934 -6.507 1.00 0.24 N ATOM 1193 CA LEU A 112 1.990 -1.902 -7.369 1.00 0.23 C ATOM 1194 C LEU A 112 3.412 -2.292 -7.761 1.00 0.24 C ATOM 1195 O LEU A 112 3.865 -1.997 -8.866 1.00 0.27 O ATOM 1196 CB LEU A 112 1.989 -0.527 -6.682 1.00 0.23 C ATOM 1197 CG LEU A 112 0.649 -0.096 -6.082 1.00 0.20 C ATOM 1198 CD1 LEU A 112 0.807 1.194 -5.293 1.00 0.23 C ATOM 1199 CD2 LEU A 112 -0.391 0.082 -7.175 1.00 0.22 C ATOM 0 H LEU A 112 1.227 -2.635 -5.550 1.00 0.24 H new ATOM 0 HA LEU A 112 1.373 -1.826 -8.264 1.00 0.23 H new ATOM 0 HB2 LEU A 112 2.737 -0.535 -5.890 1.00 0.23 H new ATOM 0 HB3 LEU A 112 2.301 0.224 -7.408 1.00 0.23 H new ATOM 0 HG LEU A 112 0.311 -0.879 -5.403 1.00 0.20 H new ATOM 0 HD11 LEU A 112 -0.156 1.485 -4.874 1.00 0.23 H new ATOM 0 HD12 LEU A 112 1.523 1.041 -4.485 1.00 0.23 H new ATOM 0 HD13 LEU A 112 1.168 1.982 -5.953 1.00 0.23 H new ATOM 0 HD21 LEU A 112 -1.338 0.389 -6.730 1.00 0.22 H new ATOM 0 HD22 LEU A 112 -0.055 0.846 -7.876 1.00 0.22 H new ATOM 0 HD23 LEU A 112 -0.527 -0.861 -7.704 1.00 0.22 H new ATOM 1211 N ILE A 113 4.102 -2.969 -6.844 1.00 0.28 N ATOM 1212 CA ILE A 113 5.457 -3.446 -7.089 1.00 0.32 C ATOM 1213 C ILE A 113 5.505 -4.417 -8.271 1.00 0.35 C ATOM 1214 O ILE A 113 6.308 -4.236 -9.189 1.00 0.38 O ATOM 1215 CB ILE A 113 6.052 -4.128 -5.834 1.00 0.37 C ATOM 1216 CG1 ILE A 113 6.214 -3.105 -4.706 1.00 0.37 C ATOM 1217 CG2 ILE A 113 7.393 -4.774 -6.164 1.00 0.46 C ATOM 1218 CD1 ILE A 113 6.668 -3.705 -3.392 1.00 0.43 C ATOM 0 H ILE A 113 3.739 -3.199 -5.919 1.00 0.28 H new ATOM 0 HA ILE A 113 6.059 -2.570 -7.331 1.00 0.32 H new ATOM 0 HB ILE A 113 5.367 -4.909 -5.502 1.00 0.37 H new ATOM 0 HG12 ILE A 113 6.934 -2.348 -5.016 1.00 0.37 H new ATOM 0 HG13 ILE A 113 5.263 -2.596 -4.552 1.00 0.37 H new ATOM 0 HG21 ILE A 113 7.798 -5.249 -5.270 1.00 0.46 H new ATOM 0 HG22 ILE A 113 7.254 -5.524 -6.942 1.00 0.46 H new ATOM 0 HG23 ILE A 113 8.088 -4.011 -6.515 1.00 0.46 H new ATOM 0 HD11 ILE A 113 6.759 -2.917 -2.644 1.00 0.43 H new ATOM 0 HD12 ILE A 113 5.937 -4.441 -3.056 1.00 0.43 H new ATOM 0 HD13 ILE A 113 7.635 -4.190 -3.528 1.00 0.43 H new ATOM 1230 N LYS A 114 4.649 -5.439 -8.258 1.00 0.38 N ATOM 1231 CA LYS A 114 4.647 -6.419 -9.337 1.00 0.46 C ATOM 1232 C LYS A 114 4.179 -5.778 -10.637 1.00 0.45 C ATOM 1233 O LYS A 114 4.767 -6.017 -11.679 1.00 0.49 O ATOM 1234 CB LYS A 114 3.797 -7.650 -8.984 1.00 0.57 C ATOM 1235 CG LYS A 114 2.317 -7.362 -8.822 1.00 0.71 C ATOM 1236 CD LYS A 114 1.554 -8.569 -8.288 1.00 0.79 C ATOM 1237 CE LYS A 114 1.141 -9.543 -9.389 1.00 1.39 C ATOM 1238 NZ LYS A 114 2.296 -10.137 -10.117 1.00 1.81 N ATOM 0 H LYS A 114 3.960 -5.606 -7.524 1.00 0.38 H new ATOM 0 HA LYS A 114 5.670 -6.767 -9.476 1.00 0.46 H new ATOM 0 HB2 LYS A 114 3.926 -8.401 -9.763 1.00 0.57 H new ATOM 0 HB3 LYS A 114 4.174 -8.084 -8.058 1.00 0.57 H new ATOM 0 HG2 LYS A 114 2.184 -6.520 -8.143 1.00 0.71 H new ATOM 0 HG3 LYS A 114 1.898 -7.065 -9.784 1.00 0.71 H new ATOM 0 HD2 LYS A 114 2.174 -9.092 -7.560 1.00 0.79 H new ATOM 0 HD3 LYS A 114 0.664 -8.226 -7.760 1.00 0.79 H new ATOM 0 HE2 LYS A 114 0.546 -10.344 -8.951 1.00 1.39 H new ATOM 0 HE3 LYS A 114 0.500 -9.024 -10.102 1.00 1.39 H new ATOM 0 HZ1 LYS A 114 2.006 -11.036 -10.553 1.00 1.81 H new ATOM 0 HZ2 LYS A 114 2.615 -9.480 -10.857 1.00 1.81 H new ATOM 0 HZ3 LYS A 114 3.075 -10.311 -9.450 1.00 1.81 H new ATOM 1252 N VAL A 115 3.154 -4.926 -10.564 1.00 0.43 N ATOM 1253 CA VAL A 115 2.662 -4.225 -11.751 1.00 0.46 C ATOM 1254 C VAL A 115 3.810 -3.477 -12.425 1.00 0.43 C ATOM 1255 O VAL A 115 4.017 -3.588 -13.635 1.00 0.48 O ATOM 1256 CB VAL A 115 1.518 -3.235 -11.406 1.00 0.50 C ATOM 1257 CG1 VAL A 115 1.126 -2.403 -12.615 1.00 0.91 C ATOM 1258 CG2 VAL A 115 0.301 -3.982 -10.893 1.00 0.76 C ATOM 0 H VAL A 115 2.653 -4.706 -9.703 1.00 0.43 H new ATOM 0 HA VAL A 115 2.258 -4.973 -12.433 1.00 0.46 H new ATOM 0 HB VAL A 115 1.888 -2.568 -10.627 1.00 0.50 H new ATOM 0 HG11 VAL A 115 0.322 -1.719 -12.341 1.00 0.91 H new ATOM 0 HG12 VAL A 115 1.988 -1.831 -12.958 1.00 0.91 H new ATOM 0 HG13 VAL A 115 0.786 -3.061 -13.415 1.00 0.91 H new ATOM 0 HG21 VAL A 115 -0.490 -3.270 -10.657 1.00 0.76 H new ATOM 0 HG22 VAL A 115 -0.050 -4.674 -11.658 1.00 0.76 H new ATOM 0 HG23 VAL A 115 0.568 -4.539 -9.995 1.00 0.76 H new ATOM 1268 N LYS A 116 4.570 -2.749 -11.618 1.00 0.40 N ATOM 1269 CA LYS A 116 5.755 -2.049 -12.070 1.00 0.41 C ATOM 1270 C LYS A 116 6.765 -3.014 -12.702 1.00 0.47 C ATOM 1271 O LYS A 116 7.150 -2.858 -13.864 1.00 0.54 O ATOM 1272 CB LYS A 116 6.379 -1.351 -10.866 1.00 0.39 C ATOM 1273 CG LYS A 116 7.641 -0.579 -11.164 1.00 0.88 C ATOM 1274 CD LYS A 116 7.374 0.596 -12.079 1.00 0.77 C ATOM 1275 CE LYS A 116 8.430 1.653 -11.878 1.00 0.85 C ATOM 1276 NZ LYS A 116 8.259 2.819 -12.780 1.00 1.06 N ATOM 0 H LYS A 116 4.376 -2.630 -10.624 1.00 0.40 H new ATOM 0 HA LYS A 116 5.478 -1.323 -12.834 1.00 0.41 H new ATOM 0 HB2 LYS A 116 5.645 -0.668 -10.439 1.00 0.39 H new ATOM 0 HB3 LYS A 116 6.599 -2.099 -10.104 1.00 0.39 H new ATOM 0 HG2 LYS A 116 8.078 -0.222 -10.232 1.00 0.88 H new ATOM 0 HG3 LYS A 116 8.373 -1.242 -11.626 1.00 0.88 H new ATOM 0 HD2 LYS A 116 7.371 0.266 -13.118 1.00 0.77 H new ATOM 0 HD3 LYS A 116 6.387 1.011 -11.873 1.00 0.77 H new ATOM 0 HE2 LYS A 116 8.403 1.994 -10.843 1.00 0.85 H new ATOM 0 HE3 LYS A 116 9.413 1.213 -12.044 1.00 0.85 H new ATOM 0 HZ1 LYS A 116 9.074 2.884 -13.422 1.00 1.06 H new ATOM 0 HZ2 LYS A 116 7.388 2.703 -13.337 1.00 1.06 H new ATOM 0 HZ3 LYS A 116 8.194 3.689 -12.214 1.00 1.06 H new ATOM 1290 N LEU A 117 7.164 -4.025 -11.936 1.00 0.47 N ATOM 1291 CA LEU A 117 8.220 -4.949 -12.347 1.00 0.57 C ATOM 1292 C LEU A 117 7.830 -5.733 -13.602 1.00 0.64 C ATOM 1293 O LEU A 117 8.686 -6.068 -14.424 1.00 0.75 O ATOM 1294 CB LEU A 117 8.547 -5.901 -11.185 1.00 0.59 C ATOM 1295 CG LEU A 117 9.798 -6.772 -11.358 1.00 0.86 C ATOM 1296 CD1 LEU A 117 10.397 -7.095 -9.999 1.00 1.48 C ATOM 1297 CD2 LEU A 117 9.465 -8.065 -12.088 1.00 1.59 C ATOM 0 H LEU A 117 6.768 -4.228 -11.018 1.00 0.47 H new ATOM 0 HA LEU A 117 9.108 -4.369 -12.599 1.00 0.57 H new ATOM 0 HB2 LEU A 117 8.665 -5.308 -10.278 1.00 0.59 H new ATOM 0 HB3 LEU A 117 7.691 -6.557 -11.028 1.00 0.59 H new ATOM 0 HG LEU A 117 10.521 -6.214 -11.953 1.00 0.86 H new ATOM 0 HD11 LEU A 117 11.285 -7.714 -10.130 1.00 1.48 H new ATOM 0 HD12 LEU A 117 10.671 -6.169 -9.493 1.00 1.48 H new ATOM 0 HD13 LEU A 117 9.665 -7.634 -9.398 1.00 1.48 H new ATOM 0 HD21 LEU A 117 10.369 -8.664 -12.198 1.00 1.59 H new ATOM 0 HD22 LEU A 117 8.725 -8.625 -11.516 1.00 1.59 H new ATOM 0 HD23 LEU A 117 9.062 -7.833 -13.074 1.00 1.59 H new ATOM 1309 N GLU A 118 6.543 -6.005 -13.758 1.00 0.61 N ATOM 1310 CA GLU A 118 6.055 -6.783 -14.894 1.00 0.69 C ATOM 1311 C GLU A 118 5.929 -5.918 -16.148 1.00 0.70 C ATOM 1312 O GLU A 118 5.469 -6.379 -17.192 1.00 0.85 O ATOM 1313 CB GLU A 118 4.722 -7.450 -14.548 1.00 0.70 C ATOM 1314 CG GLU A 118 4.843 -8.407 -13.363 1.00 0.80 C ATOM 1315 CD GLU A 118 3.542 -9.078 -12.980 1.00 1.36 C ATOM 1316 OE1 GLU A 118 3.236 -10.149 -13.540 1.00 1.71 O ATOM 1317 OE2 GLU A 118 2.793 -8.509 -12.160 1.00 2.05 O ATOM 0 H GLU A 118 5.814 -5.699 -13.113 1.00 0.61 H new ATOM 0 HA GLU A 118 6.785 -7.563 -15.110 1.00 0.69 H new ATOM 0 HB2 GLU A 118 3.983 -6.682 -14.318 1.00 0.70 H new ATOM 0 HB3 GLU A 118 4.355 -7.996 -15.417 1.00 0.70 H new ATOM 0 HG2 GLU A 118 5.579 -9.174 -13.602 1.00 0.80 H new ATOM 0 HG3 GLU A 118 5.224 -7.857 -12.502 1.00 0.80 H new ATOM 1324 N GLY A 119 6.351 -4.665 -16.044 1.00 0.60 N ATOM 1325 CA GLY A 119 6.429 -3.807 -17.212 1.00 0.62 C ATOM 1326 C GLY A 119 5.283 -2.821 -17.314 1.00 0.65 C ATOM 1327 O GLY A 119 4.850 -2.477 -18.415 1.00 0.68 O ATOM 0 H GLY A 119 6.641 -4.226 -15.170 1.00 0.60 H new ATOM 0 HA2 GLY A 119 7.370 -3.257 -17.187 1.00 0.62 H new ATOM 0 HA3 GLY A 119 6.446 -4.427 -18.108 1.00 0.62 H new ATOM 1331 N HIS A 120 4.791 -2.360 -16.177 1.00 0.70 N ATOM 1332 CA HIS A 120 3.700 -1.394 -16.160 1.00 0.78 C ATOM 1333 C HIS A 120 4.029 -0.236 -15.226 1.00 0.75 C ATOM 1334 O HIS A 120 5.032 -0.270 -14.517 1.00 0.92 O ATOM 1335 CB HIS A 120 2.386 -2.061 -15.746 1.00 0.80 C ATOM 1336 CG HIS A 120 1.946 -3.163 -16.660 1.00 0.90 C ATOM 1337 ND1 HIS A 120 1.387 -2.931 -17.898 1.00 1.08 N ATOM 1338 CD2 HIS A 120 1.998 -4.510 -16.520 1.00 0.97 C ATOM 1339 CE1 HIS A 120 1.105 -4.085 -18.471 1.00 1.16 C ATOM 1340 NE2 HIS A 120 1.468 -5.057 -17.660 1.00 1.10 N ATOM 0 H HIS A 120 5.127 -2.637 -15.254 1.00 0.70 H new ATOM 0 HA HIS A 120 3.577 -1.002 -17.170 1.00 0.78 H new ATOM 0 HB2 HIS A 120 2.496 -2.461 -14.738 1.00 0.80 H new ATOM 0 HB3 HIS A 120 1.603 -1.303 -15.705 1.00 0.80 H new ATOM 0 HD2 HIS A 120 2.385 -5.051 -15.669 1.00 0.97 H new ATOM 0 HE1 HIS A 120 0.652 -4.212 -19.443 1.00 1.16 H new ATOM 0 HE2 HIS A 120 1.371 -6.055 -17.849 1.00 1.10 H new ATOM 1349 N GLU A 121 3.174 0.776 -15.223 1.00 0.78 N ATOM 1350 CA GLU A 121 3.426 1.994 -14.466 1.00 0.84 C ATOM 1351 C GLU A 121 2.334 2.236 -13.436 1.00 0.84 C ATOM 1352 O GLU A 121 1.206 1.764 -13.588 1.00 0.98 O ATOM 1353 CB GLU A 121 3.514 3.193 -15.410 1.00 1.05 C ATOM 1354 CG GLU A 121 4.780 3.211 -16.249 1.00 1.71 C ATOM 1355 CD GLU A 121 6.000 3.593 -15.436 1.00 2.10 C ATOM 1356 OE1 GLU A 121 6.556 2.727 -14.736 1.00 2.69 O ATOM 1357 OE2 GLU A 121 6.400 4.776 -15.476 1.00 2.11 O ATOM 0 H GLU A 121 2.294 0.778 -15.740 1.00 0.78 H new ATOM 0 HA GLU A 121 4.374 1.872 -13.943 1.00 0.84 H new ATOM 0 HB2 GLU A 121 2.648 3.188 -16.072 1.00 1.05 H new ATOM 0 HB3 GLU A 121 3.462 4.111 -14.825 1.00 1.05 H new ATOM 0 HG2 GLU A 121 4.934 2.227 -16.692 1.00 1.71 H new ATOM 0 HG3 GLU A 121 4.659 3.916 -17.072 1.00 1.71 H new ATOM 1364 N LEU A 122 2.679 2.968 -12.386 1.00 0.88 N ATOM 1365 CA LEU A 122 1.715 3.329 -11.360 1.00 0.89 C ATOM 1366 C LEU A 122 1.112 4.695 -11.682 1.00 0.96 C ATOM 1367 O LEU A 122 1.840 5.660 -11.914 1.00 1.08 O ATOM 1368 CB LEU A 122 2.383 3.338 -9.978 1.00 0.90 C ATOM 1369 CG LEU A 122 3.267 2.132 -9.692 1.00 0.58 C ATOM 1370 CD1 LEU A 122 3.874 2.234 -8.303 1.00 1.21 C ATOM 1371 CD2 LEU A 122 2.472 0.852 -9.833 1.00 0.74 C ATOM 0 H LEU A 122 3.621 3.323 -12.224 1.00 0.88 H new ATOM 0 HA LEU A 122 0.915 2.588 -11.341 1.00 0.89 H new ATOM 0 HB2 LEU A 122 2.984 4.242 -9.886 1.00 0.90 H new ATOM 0 HB3 LEU A 122 1.607 3.392 -9.215 1.00 0.90 H new ATOM 0 HG LEU A 122 4.079 2.116 -10.419 1.00 0.58 H new ATOM 0 HD11 LEU A 122 4.503 1.363 -8.116 1.00 1.21 H new ATOM 0 HD12 LEU A 122 4.478 3.139 -8.235 1.00 1.21 H new ATOM 0 HD13 LEU A 122 3.078 2.273 -7.560 1.00 1.21 H new ATOM 0 HD21 LEU A 122 3.117 -0.002 -9.626 1.00 0.74 H new ATOM 0 HD22 LEU A 122 1.642 0.860 -9.127 1.00 0.74 H new ATOM 0 HD23 LEU A 122 2.084 0.775 -10.849 1.00 0.74 H new ATOM 1383 N PRO A 123 -0.228 4.788 -11.697 1.00 1.00 N ATOM 1384 CA PRO A 123 -0.938 5.991 -12.158 1.00 1.15 C ATOM 1385 C PRO A 123 -0.844 7.166 -11.186 1.00 1.04 C ATOM 1386 O PRO A 123 -1.284 8.273 -11.498 1.00 1.16 O ATOM 1387 CB PRO A 123 -2.380 5.502 -12.283 1.00 1.28 C ATOM 1388 CG PRO A 123 -2.495 4.414 -11.272 1.00 1.19 C ATOM 1389 CD PRO A 123 -1.162 3.724 -11.272 1.00 1.01 C ATOM 0 HA PRO A 123 -0.513 6.384 -13.082 1.00 1.15 H new ATOM 0 HB2 PRO A 123 -3.090 6.305 -12.084 1.00 1.28 H new ATOM 0 HB3 PRO A 123 -2.588 5.134 -13.288 1.00 1.28 H new ATOM 0 HG2 PRO A 123 -2.728 4.817 -10.286 1.00 1.19 H new ATOM 0 HG3 PRO A 123 -3.296 3.721 -11.531 1.00 1.19 H new ATOM 0 HD2 PRO A 123 -0.909 3.338 -10.285 1.00 1.01 H new ATOM 0 HD3 PRO A 123 -1.147 2.878 -11.959 1.00 1.01 H new ATOM 1397 N ALA A 124 -0.270 6.909 -10.017 1.00 0.88 N ATOM 1398 CA ALA A 124 -0.068 7.929 -8.986 1.00 0.86 C ATOM 1399 C ALA A 124 -1.390 8.531 -8.492 1.00 0.82 C ATOM 1400 O ALA A 124 -1.407 9.598 -7.878 1.00 0.88 O ATOM 1401 CB ALA A 124 0.862 9.024 -9.493 1.00 1.06 C ATOM 0 H ALA A 124 0.071 5.985 -9.753 1.00 0.88 H new ATOM 0 HA ALA A 124 0.396 7.434 -8.133 1.00 0.86 H new ATOM 0 HB1 ALA A 124 1.001 9.773 -8.714 1.00 1.06 H new ATOM 0 HB2 ALA A 124 1.827 8.590 -9.755 1.00 1.06 H new ATOM 0 HB3 ALA A 124 0.425 9.494 -10.374 1.00 1.06 H new ATOM 1407 N ASP A 125 -2.486 7.828 -8.736 1.00 0.82 N ATOM 1408 CA ASP A 125 -3.789 8.225 -8.222 1.00 0.84 C ATOM 1409 C ASP A 125 -4.422 7.065 -7.492 1.00 0.83 C ATOM 1410 O ASP A 125 -3.886 5.955 -7.504 1.00 0.85 O ATOM 1411 CB ASP A 125 -4.729 8.695 -9.334 1.00 0.90 C ATOM 1412 CG ASP A 125 -4.633 10.187 -9.591 1.00 1.36 C ATOM 1413 OD1 ASP A 125 -4.913 10.982 -8.668 1.00 1.93 O ATOM 1414 OD2 ASP A 125 -4.258 10.572 -10.722 1.00 1.76 O ATOM 0 H ASP A 125 -2.498 6.973 -9.292 1.00 0.82 H new ATOM 0 HA ASP A 125 -3.631 9.062 -7.542 1.00 0.84 H new ATOM 0 HB2 ASP A 125 -4.496 8.157 -10.253 1.00 0.90 H new ATOM 0 HB3 ASP A 125 -5.755 8.442 -9.068 1.00 0.90 H new ATOM 1419 N LEU A 126 -5.564 7.308 -6.874 1.00 0.84 N ATOM 1420 CA LEU A 126 -6.248 6.268 -6.135 1.00 0.85 C ATOM 1421 C LEU A 126 -7.673 6.118 -6.658 1.00 0.82 C ATOM 1422 O LEU A 126 -8.598 6.782 -6.179 1.00 0.86 O ATOM 1423 CB LEU A 126 -6.265 6.605 -4.641 1.00 0.92 C ATOM 1424 CG LEU A 126 -6.091 5.419 -3.687 1.00 0.94 C ATOM 1425 CD1 LEU A 126 -6.298 5.875 -2.257 1.00 1.85 C ATOM 1426 CD2 LEU A 126 -7.042 4.279 -4.033 1.00 1.62 C ATOM 0 H LEU A 126 -6.034 8.213 -6.870 1.00 0.84 H new ATOM 0 HA LEU A 126 -5.718 5.326 -6.272 1.00 0.85 H new ATOM 0 HB2 LEU A 126 -5.473 7.326 -4.442 1.00 0.92 H new ATOM 0 HB3 LEU A 126 -7.210 7.097 -4.410 1.00 0.92 H new ATOM 0 HG LEU A 126 -5.075 5.039 -3.796 1.00 0.94 H new ATOM 0 HD11 LEU A 126 -6.173 5.027 -1.583 1.00 1.85 H new ATOM 0 HD12 LEU A 126 -5.567 6.645 -2.011 1.00 1.85 H new ATOM 0 HD13 LEU A 126 -7.303 6.281 -2.147 1.00 1.85 H new ATOM 0 HD21 LEU A 126 -6.891 3.455 -3.336 1.00 1.62 H new ATOM 0 HD22 LEU A 126 -8.072 4.630 -3.962 1.00 1.62 H new ATOM 0 HD23 LEU A 126 -6.845 3.936 -5.049 1.00 1.62 H new ATOM 1438 N PRO A 127 -7.857 5.262 -7.674 1.00 0.79 N ATOM 1439 CA PRO A 127 -9.177 4.976 -8.244 1.00 0.78 C ATOM 1440 C PRO A 127 -10.090 4.247 -7.255 1.00 0.79 C ATOM 1441 O PRO A 127 -9.620 3.483 -6.410 1.00 0.81 O ATOM 1442 CB PRO A 127 -8.867 4.084 -9.450 1.00 0.90 C ATOM 1443 CG PRO A 127 -7.527 3.504 -9.169 1.00 0.76 C ATOM 1444 CD PRO A 127 -6.785 4.535 -8.371 1.00 0.81 C ATOM 0 HA PRO A 127 -9.712 5.889 -8.506 1.00 0.78 H new ATOM 0 HB2 PRO A 127 -9.618 3.303 -9.566 1.00 0.90 H new ATOM 0 HB3 PRO A 127 -8.861 4.660 -10.375 1.00 0.90 H new ATOM 0 HG2 PRO A 127 -7.615 2.571 -8.613 1.00 0.76 H new ATOM 0 HG3 PRO A 127 -7.000 3.275 -10.095 1.00 0.76 H new ATOM 0 HD2 PRO A 127 -6.089 4.076 -7.669 1.00 0.81 H new ATOM 0 HD3 PRO A 127 -6.202 5.196 -9.012 1.00 0.81 H new ATOM 1452 N PRO A 128 -11.412 4.460 -7.372 1.00 0.82 N ATOM 1453 CA PRO A 128 -12.401 3.932 -6.419 1.00 0.89 C ATOM 1454 C PRO A 128 -12.377 2.410 -6.283 1.00 0.92 C ATOM 1455 O PRO A 128 -12.835 1.869 -5.281 1.00 1.00 O ATOM 1456 CB PRO A 128 -13.744 4.374 -7.008 1.00 0.98 C ATOM 1457 CG PRO A 128 -13.424 5.519 -7.903 1.00 1.02 C ATOM 1458 CD PRO A 128 -12.047 5.252 -8.440 1.00 0.86 C ATOM 0 HA PRO A 128 -12.200 4.303 -5.414 1.00 0.89 H new ATOM 0 HB2 PRO A 128 -14.217 3.563 -7.561 1.00 0.98 H new ATOM 0 HB3 PRO A 128 -14.439 4.671 -6.223 1.00 0.98 H new ATOM 0 HG2 PRO A 128 -14.150 5.597 -8.712 1.00 1.02 H new ATOM 0 HG3 PRO A 128 -13.454 6.462 -7.357 1.00 1.02 H new ATOM 0 HD2 PRO A 128 -12.082 4.703 -9.381 1.00 0.86 H new ATOM 0 HD3 PRO A 128 -11.504 6.177 -8.631 1.00 0.86 H new ATOM 1466 N HIS A 129 -11.842 1.714 -7.279 1.00 0.90 N ATOM 1467 CA HIS A 129 -11.860 0.254 -7.256 1.00 0.96 C ATOM 1468 C HIS A 129 -10.544 -0.316 -6.728 1.00 0.95 C ATOM 1469 O HIS A 129 -10.278 -1.509 -6.863 1.00 1.02 O ATOM 1470 CB HIS A 129 -12.189 -0.326 -8.644 1.00 1.02 C ATOM 1471 CG HIS A 129 -11.215 0.017 -9.736 1.00 1.03 C ATOM 1472 ND1 HIS A 129 -11.471 0.976 -10.694 1.00 1.10 N ATOM 1473 CD2 HIS A 129 -9.996 -0.496 -10.040 1.00 1.08 C ATOM 1474 CE1 HIS A 129 -10.457 1.033 -11.540 1.00 1.14 C ATOM 1475 NE2 HIS A 129 -9.547 0.156 -11.161 1.00 1.14 N ATOM 0 H HIS A 129 -11.398 2.126 -8.099 1.00 0.90 H new ATOM 0 HA HIS A 129 -12.652 -0.046 -6.570 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -12.247 -1.411 -8.561 1.00 1.02 H new ATOM 0 HB3 HIS A 129 -13.178 0.024 -8.940 1.00 1.02 H new ATOM 0 HD2 HIS A 129 -9.476 -1.273 -9.500 1.00 1.08 H new ATOM 0 HE1 HIS A 129 -10.385 1.687 -12.397 1.00 1.14 H new ATOM 0 HE2 HIS A 129 -8.654 -0.010 -11.626 1.00 1.14 H new ATOM 1484 N LEU A 130 -9.718 0.536 -6.132 1.00 0.89 N ATOM 1485 CA LEU A 130 -8.464 0.079 -5.537 1.00 0.92 C ATOM 1486 C LEU A 130 -8.396 0.418 -4.056 1.00 0.93 C ATOM 1487 O LEU A 130 -7.373 0.191 -3.411 1.00 1.06 O ATOM 1488 CB LEU A 130 -7.251 0.673 -6.257 1.00 0.89 C ATOM 1489 CG LEU A 130 -6.974 0.095 -7.645 1.00 0.94 C ATOM 1490 CD1 LEU A 130 -5.702 0.686 -8.225 1.00 1.32 C ATOM 1491 CD2 LEU A 130 -6.870 -1.421 -7.583 1.00 1.34 C ATOM 0 H LEU A 130 -9.890 1.538 -6.047 1.00 0.89 H new ATOM 0 HA LEU A 130 -8.439 -1.005 -5.650 1.00 0.92 H new ATOM 0 HB2 LEU A 130 -7.395 1.749 -6.351 1.00 0.89 H new ATOM 0 HB3 LEU A 130 -6.369 0.522 -5.635 1.00 0.89 H new ATOM 0 HG LEU A 130 -7.808 0.359 -8.296 1.00 0.94 H new ATOM 0 HD11 LEU A 130 -5.522 0.262 -9.213 1.00 1.32 H new ATOM 0 HD12 LEU A 130 -5.808 1.768 -8.308 1.00 1.32 H new ATOM 0 HD13 LEU A 130 -4.861 0.453 -7.571 1.00 1.32 H new ATOM 0 HD21 LEU A 130 -6.673 -1.813 -8.581 1.00 1.34 H new ATOM 0 HD22 LEU A 130 -6.056 -1.703 -6.915 1.00 1.34 H new ATOM 0 HD23 LEU A 130 -7.806 -1.835 -7.209 1.00 1.34 H new ATOM 1760 N ASP B 149 7.849 9.627 5.415 1.00 0.45 N ATOM 1761 CA ASP B 149 8.169 8.278 4.968 1.00 0.42 C ATOM 1762 C ASP B 149 9.668 8.112 4.727 1.00 0.31 C ATOM 1763 O ASP B 149 10.367 9.068 4.397 1.00 0.30 O ATOM 1764 CB ASP B 149 7.395 7.938 3.691 1.00 0.70 C ATOM 1765 CG ASP B 149 7.683 8.903 2.564 1.00 0.53 C ATOM 1766 OD1 ASP B 149 8.730 8.764 1.901 1.00 0.42 O ATOM 1767 OD2 ASP B 149 6.862 9.815 2.340 1.00 1.25 O ATOM 0 HA ASP B 149 7.873 7.590 5.760 1.00 0.42 H new ATOM 0 HB2 ASP B 149 7.651 6.927 3.373 1.00 0.70 H new ATOM 0 HB3 ASP B 149 6.326 7.944 3.906 1.00 0.70 H new ATOM 1772 N PRO B 150 10.163 6.874 4.877 1.00 0.31 N ATOM 1773 CA PRO B 150 11.589 6.530 4.729 1.00 0.29 C ATOM 1774 C PRO B 150 12.147 6.767 3.323 1.00 0.29 C ATOM 1775 O PRO B 150 13.314 6.467 3.055 1.00 0.34 O ATOM 1776 CB PRO B 150 11.640 5.036 5.068 1.00 0.34 C ATOM 1777 CG PRO B 150 10.381 4.761 5.812 1.00 0.49 C ATOM 1778 CD PRO B 150 9.360 5.690 5.231 1.00 0.43 C ATOM 0 HA PRO B 150 12.202 7.162 5.372 1.00 0.29 H new ATOM 0 HB2 PRO B 150 11.704 4.429 4.165 1.00 0.34 H new ATOM 0 HB3 PRO B 150 12.515 4.799 5.674 1.00 0.34 H new ATOM 0 HG2 PRO B 150 10.076 3.721 5.696 1.00 0.49 H new ATOM 0 HG3 PRO B 150 10.510 4.938 6.880 1.00 0.49 H new ATOM 0 HD2 PRO B 150 8.869 5.258 4.359 1.00 0.43 H new ATOM 0 HD3 PRO B 150 8.577 5.932 5.950 1.00 0.43 H new ATOM 1786 N PHE B 151 11.314 7.248 2.411 1.00 0.31 N ATOM 1787 CA PHE B 151 11.745 7.463 1.037 1.00 0.39 C ATOM 1788 C PHE B 151 12.064 8.930 0.794 1.00 0.46 C ATOM 1789 O PHE B 151 13.131 9.269 0.283 1.00 0.56 O ATOM 1790 CB PHE B 151 10.664 6.985 0.068 1.00 0.44 C ATOM 1791 CG PHE B 151 10.140 5.628 0.423 1.00 0.36 C ATOM 1792 CD1 PHE B 151 10.958 4.518 0.336 1.00 0.42 C ATOM 1793 CD2 PHE B 151 8.823 5.459 0.809 1.00 0.30 C ATOM 1794 CE1 PHE B 151 10.476 3.265 0.631 1.00 0.42 C ATOM 1795 CE2 PHE B 151 8.332 4.203 1.099 1.00 0.27 C ATOM 1796 CZ PHE B 151 9.184 3.130 1.149 1.00 0.32 C ATOM 0 H PHE B 151 10.342 7.495 2.596 1.00 0.31 H new ATOM 0 HA PHE B 151 12.654 6.886 0.865 1.00 0.39 H new ATOM 0 HB2 PHE B 151 9.841 7.700 0.064 1.00 0.44 H new ATOM 0 HB3 PHE B 151 11.071 6.962 -0.943 1.00 0.44 H new ATOM 0 HD1 PHE B 151 11.988 4.636 0.033 1.00 0.42 H new ATOM 0 HD2 PHE B 151 8.173 6.318 0.884 1.00 0.30 H new ATOM 0 HE1 PHE B 151 11.090 2.392 0.464 1.00 0.42 H new ATOM 0 HE2 PHE B 151 7.277 4.065 1.286 1.00 0.27 H new ATOM 0 HZ PHE B 151 8.862 2.194 1.582 1.00 0.32 H new ATOM 1806 N THR B 152 11.145 9.795 1.181 1.00 0.53 N ATOM 1807 CA THR B 152 11.303 11.223 0.947 1.00 0.65 C ATOM 1808 C THR B 152 12.080 11.898 2.076 1.00 1.20 C ATOM 1809 O THR B 152 12.535 13.042 1.938 1.00 1.89 O ATOM 1810 CB THR B 152 9.933 11.899 0.785 1.00 0.95 C ATOM 1811 OG1 THR B 152 9.078 11.547 1.879 1.00 1.59 O ATOM 1812 CG2 THR B 152 9.280 11.486 -0.523 1.00 0.98 C ATOM 0 H THR B 152 10.281 9.537 1.658 1.00 0.53 H new ATOM 0 HA THR B 152 11.874 11.338 0.025 1.00 0.65 H new ATOM 0 HB THR B 152 10.085 12.978 0.776 1.00 0.95 H new ATOM 0 HG1 THR B 152 8.208 11.984 1.768 1.00 1.59 H new ATOM 0 HG21 THR B 152 8.311 11.976 -0.617 1.00 0.98 H new ATOM 0 HG22 THR B 152 9.918 11.780 -1.357 1.00 0.98 H new ATOM 0 HG23 THR B 152 9.142 10.405 -0.535 1.00 0.98 H new