USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 944 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 46 HIS : +bothHN:sc= 0.0343 K(o=2.1,f=-2.2!) USER MOD Set 1.2: A 48 THR OG1 : rot 9:sc= 1.15 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.874 K(o=2.1,f=-2!) USER MOD Single : A 11 SER OG : rot 48:sc= 0.976 USER MOD Single : A 15 ASN : amide:sc= -0.0298 X(o=-0.03,f=-0.053) USER MOD Single : A 19 TYR OH : rot -42:sc= 1.15 USER MOD Single : A 21 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 24 ASN : amide:sc= 0.793 K(o=0.79,f=-3.4!) USER MOD Single : A 37 THR OG1 : rot 83:sc= 0.267 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -143:sc= 0.317 (180deg=-0.968!) USER MOD Single : A 57 LYS NZ :NH3+ -147:sc= 1.28 (180deg=0.0432) USER MOD Single : A 59 MET CE :methyl -175:sc= 0 (180deg=-0.0242) USER MOD Single : A 61 MET CE :methyl -171:sc= 0 (180deg=-0.214) USER MOD Single : A 72 LYS NZ :NH3+ -109:sc= 0.483 (180deg=-0.192!) USER MOD Single : A 78 LYS NZ :NH3+ 176:sc= 0.566 (180deg=0.453) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -159:sc= 0 (180deg=-0.0107) USER MOD Single : A 90 LYS NZ :NH3+ 141:sc= 1.21 (180deg=0.118) USER MOD Single : A 94 LYS NZ :NH3+ 152:sc= 1.41 (180deg=0.0449) USER MOD Single : A 109 LYS NZ :NH3+ -167:sc=-0.00263 (180deg=-0.147) USER MOD Single : A 112 LYS NZ :NH3+ 134:sc= 0.783 (180deg=-1.46!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 4.648 -1.256 11.317 1.00 1.82 N ATOM 56 CA GLU A 5 3.929 -2.350 10.655 1.00 1.15 C ATOM 57 C GLU A 5 2.790 -1.790 9.771 1.00 0.94 C ATOM 58 O GLU A 5 2.827 -0.608 9.420 1.00 1.34 O ATOM 59 CB GLU A 5 3.465 -3.369 11.705 1.00 2.01 C ATOM 60 CG GLU A 5 3.531 -4.814 11.196 1.00 3.28 C ATOM 61 CD GLU A 5 3.356 -5.749 12.382 1.00 4.37 C ATOM 62 OE1 GLU A 5 2.319 -5.647 13.077 1.00 5.16 O ATOM 63 OE2 GLU A 5 4.282 -6.503 12.745 1.00 5.13 O ATOM 0 HA GLU A 5 4.591 -2.886 9.975 1.00 1.15 H new ATOM 0 HB2 GLU A 5 4.084 -3.273 12.597 1.00 2.01 H new ATOM 0 HB3 GLU A 5 2.442 -3.139 12.002 1.00 2.01 H new ATOM 0 HG2 GLU A 5 2.751 -4.991 10.455 1.00 3.28 H new ATOM 0 HG3 GLU A 5 4.486 -5.000 10.704 1.00 3.28 H new ATOM 70 N GLY A 6 1.868 -2.626 9.273 1.00 0.87 N ATOM 71 CA GLY A 6 0.749 -2.193 8.418 1.00 0.79 C ATOM 72 C GLY A 6 -0.653 -2.581 8.870 1.00 0.67 C ATOM 73 O GLY A 6 -0.829 -3.356 9.804 1.00 0.80 O ATOM 0 H GLY A 6 1.876 -3.630 9.453 1.00 0.87 H new ATOM 0 HA2 GLY A 6 0.789 -1.107 8.331 1.00 0.79 H new ATOM 0 HA3 GLY A 6 0.908 -2.599 7.419 1.00 0.79 H new ATOM 77 N TRP A 7 -1.627 -2.086 8.103 1.00 0.60 N ATOM 78 CA TRP A 7 -3.048 -2.439 8.132 1.00 0.54 C ATOM 79 C TRP A 7 -3.694 -2.246 6.742 1.00 0.48 C ATOM 80 O TRP A 7 -3.396 -1.293 6.018 1.00 0.56 O ATOM 81 CB TRP A 7 -3.797 -1.623 9.197 1.00 0.65 C ATOM 82 CG TRP A 7 -4.058 -0.181 8.867 1.00 0.63 C ATOM 83 CD1 TRP A 7 -5.192 0.309 8.314 1.00 0.77 C ATOM 84 CD2 TRP A 7 -3.189 0.978 9.067 1.00 0.88 C ATOM 85 NE1 TRP A 7 -5.106 1.681 8.196 1.00 1.09 N ATOM 86 CE2 TRP A 7 -3.883 2.149 8.629 1.00 1.20 C ATOM 87 CE3 TRP A 7 -1.889 1.158 9.587 1.00 1.04 C ATOM 88 CZ2 TRP A 7 -3.313 3.431 8.706 1.00 1.63 C ATOM 89 CZ3 TRP A 7 -1.310 2.438 9.670 1.00 1.43 C ATOM 90 CH2 TRP A 7 -2.020 3.572 9.240 1.00 1.73 C ATOM 0 H TRP A 7 -1.429 -1.378 7.396 1.00 0.60 H new ATOM 0 HA TRP A 7 -3.124 -3.493 8.398 1.00 0.54 H new ATOM 0 HB2 TRP A 7 -4.754 -2.109 9.390 1.00 0.65 H new ATOM 0 HB3 TRP A 7 -3.226 -1.664 10.124 1.00 0.65 H new ATOM 0 HD1 TRP A 7 -6.040 -0.287 8.010 1.00 0.77 H new ATOM 0 HE1 TRP A 7 -5.853 2.274 7.834 1.00 1.09 H new ATOM 0 HE3 TRP A 7 -1.329 0.299 9.927 1.00 1.04 H new ATOM 0 HZ2 TRP A 7 -3.860 4.296 8.360 1.00 1.63 H new ATOM 0 HZ3 TRP A 7 -0.312 2.550 10.067 1.00 1.43 H new ATOM 0 HH2 TRP A 7 -1.572 4.552 9.320 1.00 1.73 H new ATOM 101 N VAL A 8 -4.617 -3.125 6.355 1.00 0.65 N ATOM 102 CA VAL A 8 -5.386 -2.996 5.099 1.00 0.75 C ATOM 103 C VAL A 8 -6.719 -2.291 5.377 1.00 0.82 C ATOM 104 O VAL A 8 -7.334 -2.495 6.423 1.00 0.86 O ATOM 105 CB VAL A 8 -5.559 -4.357 4.391 1.00 0.98 C ATOM 106 CG1 VAL A 8 -6.314 -4.247 3.055 1.00 1.27 C ATOM 107 CG2 VAL A 8 -4.192 -5.007 4.139 1.00 1.07 C ATOM 0 H VAL A 8 -4.860 -3.953 6.899 1.00 0.65 H new ATOM 0 HA VAL A 8 -4.824 -2.375 4.401 1.00 0.75 H new ATOM 0 HB VAL A 8 -6.157 -4.975 5.061 1.00 0.98 H new ATOM 0 HG11 VAL A 8 -6.404 -5.236 2.605 1.00 1.27 H new ATOM 0 HG12 VAL A 8 -7.308 -3.837 3.232 1.00 1.27 H new ATOM 0 HG13 VAL A 8 -5.765 -3.590 2.380 1.00 1.27 H new ATOM 0 HG21 VAL A 8 -4.332 -5.966 3.639 1.00 1.07 H new ATOM 0 HG22 VAL A 8 -3.589 -4.353 3.509 1.00 1.07 H new ATOM 0 HG23 VAL A 8 -3.683 -5.164 5.090 1.00 1.07 H new ATOM 117 N ARG A 9 -7.157 -1.425 4.456 1.00 0.89 N ATOM 118 CA ARG A 9 -8.325 -0.569 4.645 1.00 1.00 C ATOM 119 C ARG A 9 -9.632 -1.371 4.562 1.00 1.10 C ATOM 120 O ARG A 9 -9.993 -1.872 3.495 1.00 2.11 O ATOM 121 CB ARG A 9 -8.312 0.565 3.599 1.00 1.20 C ATOM 122 CG ARG A 9 -9.210 1.713 4.067 1.00 1.31 C ATOM 123 CD ARG A 9 -9.744 2.641 2.971 1.00 1.90 C ATOM 124 NE ARG A 9 -8.675 3.221 2.146 1.00 3.18 N ATOM 125 CZ ARG A 9 -7.831 4.177 2.515 1.00 4.28 C ATOM 126 NH1 ARG A 9 -7.904 4.819 3.661 1.00 4.69 N ATOM 127 NH2 ARG A 9 -6.849 4.500 1.708 1.00 5.98 N ATOM 0 H ARG A 9 -6.703 -1.300 3.551 1.00 0.89 H new ATOM 0 HA ARG A 9 -8.275 -0.136 5.644 1.00 1.00 H new ATOM 0 HB2 ARG A 9 -7.294 0.925 3.452 1.00 1.20 H new ATOM 0 HB3 ARG A 9 -8.659 0.189 2.637 1.00 1.20 H new ATOM 0 HG2 ARG A 9 -10.060 1.288 4.601 1.00 1.31 H new ATOM 0 HG3 ARG A 9 -8.652 2.315 4.784 1.00 1.31 H new ATOM 0 HD2 ARG A 9 -10.429 2.084 2.331 1.00 1.90 H new ATOM 0 HD3 ARG A 9 -10.319 3.445 3.430 1.00 1.90 H new ATOM 0 HE ARG A 9 -8.572 2.854 1.200 1.00 3.18 H new ATOM 0 HH11 ARG A 9 -8.642 4.591 4.327 1.00 4.69 H new ATOM 0 HH12 ARG A 9 -7.222 5.545 3.883 1.00 4.69 H new ATOM 0 HH21 ARG A 9 -6.744 4.019 0.815 1.00 5.98 H new ATOM 0 HH22 ARG A 9 -6.190 5.232 1.974 1.00 5.98 H new ATOM 141 N PHE A 10 -10.411 -1.400 5.646 1.00 0.70 N ATOM 142 CA PHE A 10 -11.831 -1.736 5.597 1.00 0.66 C ATOM 143 C PHE A 10 -12.620 -0.638 4.870 1.00 1.01 C ATOM 144 O PHE A 10 -12.449 0.554 5.128 1.00 1.49 O ATOM 145 CB PHE A 10 -12.374 -1.919 7.024 1.00 0.84 C ATOM 146 CG PHE A 10 -13.889 -1.947 7.097 1.00 0.91 C ATOM 147 CD1 PHE A 10 -14.591 -3.146 6.885 1.00 2.52 C ATOM 148 CD2 PHE A 10 -14.599 -0.744 7.288 1.00 2.06 C ATOM 149 CE1 PHE A 10 -15.996 -3.137 6.870 1.00 2.55 C ATOM 150 CE2 PHE A 10 -16.001 -0.732 7.228 1.00 2.21 C ATOM 151 CZ PHE A 10 -16.704 -1.933 7.030 1.00 1.28 C ATOM 0 H PHE A 10 -10.071 -1.190 6.584 1.00 0.70 H new ATOM 0 HA PHE A 10 -11.950 -2.669 5.046 1.00 0.66 H new ATOM 0 HB2 PHE A 10 -11.981 -2.848 7.437 1.00 0.84 H new ATOM 0 HB3 PHE A 10 -12.003 -1.109 7.652 1.00 0.84 H new ATOM 0 HD1 PHE A 10 -14.053 -4.070 6.734 1.00 2.52 H new ATOM 0 HD2 PHE A 10 -14.061 0.173 7.481 1.00 2.06 H new ATOM 0 HE1 PHE A 10 -16.536 -4.062 6.734 1.00 2.55 H new ATOM 0 HE2 PHE A 10 -16.539 0.198 7.334 1.00 2.21 H new ATOM 0 HZ PHE A 10 -17.784 -1.931 7.001 1.00 1.28 H new ATOM 161 N SER A 11 -13.569 -1.028 4.028 1.00 1.17 N ATOM 162 CA SER A 11 -14.629 -0.184 3.491 1.00 1.63 C ATOM 163 C SER A 11 -15.696 -1.053 2.806 1.00 1.77 C ATOM 164 O SER A 11 -15.342 -2.111 2.286 1.00 1.97 O ATOM 165 CB SER A 11 -14.030 0.822 2.504 1.00 2.32 C ATOM 166 OG SER A 11 -13.718 2.024 3.193 1.00 3.52 O ATOM 0 H SER A 11 -13.623 -1.987 3.685 1.00 1.17 H new ATOM 0 HA SER A 11 -15.106 0.364 4.303 1.00 1.63 H new ATOM 0 HB2 SER A 11 -13.132 0.408 2.045 1.00 2.32 H new ATOM 0 HB3 SER A 11 -14.736 1.023 1.698 1.00 2.32 H new ATOM 0 HG SER A 11 -13.232 1.812 4.017 1.00 3.52 H new ATOM 172 N PRO A 12 -16.981 -0.633 2.791 1.00 1.91 N ATOM 173 CA PRO A 12 -18.109 -1.380 2.222 1.00 2.15 C ATOM 174 C PRO A 12 -18.206 -1.193 0.695 1.00 2.38 C ATOM 175 O PRO A 12 -19.256 -0.870 0.142 1.00 3.28 O ATOM 176 CB PRO A 12 -19.328 -0.837 2.966 1.00 2.30 C ATOM 177 CG PRO A 12 -18.969 0.640 3.096 1.00 2.32 C ATOM 178 CD PRO A 12 -17.479 0.579 3.426 1.00 2.03 C ATOM 0 HA PRO A 12 -18.008 -2.458 2.349 1.00 2.15 H new ATOM 0 HB2 PRO A 12 -20.251 -0.987 2.406 1.00 2.30 H new ATOM 0 HB3 PRO A 12 -19.462 -1.314 3.937 1.00 2.30 H new ATOM 0 HG2 PRO A 12 -19.160 1.189 2.174 1.00 2.32 H new ATOM 0 HG3 PRO A 12 -19.541 1.131 3.883 1.00 2.32 H new ATOM 0 HD2 PRO A 12 -16.959 1.460 3.049 1.00 2.03 H new ATOM 0 HD3 PRO A 12 -17.318 0.550 4.504 1.00 2.03 H new ATOM 186 N GLY A 13 -17.066 -1.351 0.023 1.00 1.74 N ATOM 187 CA GLY A 13 -16.903 -1.241 -1.428 1.00 1.84 C ATOM 188 C GLY A 13 -16.237 -2.481 -2.043 1.00 1.38 C ATOM 189 O GLY A 13 -15.528 -3.198 -1.342 1.00 1.37 O ATOM 0 H GLY A 13 -16.190 -1.569 0.497 1.00 1.74 H new ATOM 0 HA2 GLY A 13 -17.879 -1.091 -1.889 1.00 1.84 H new ATOM 0 HA3 GLY A 13 -16.303 -0.360 -1.657 1.00 1.84 H new ATOM 193 N PRO A 14 -16.416 -2.719 -3.359 1.00 1.22 N ATOM 194 CA PRO A 14 -15.737 -3.795 -4.093 1.00 1.15 C ATOM 195 C PRO A 14 -14.234 -3.534 -4.278 1.00 0.89 C ATOM 196 O PRO A 14 -13.472 -4.462 -4.555 1.00 0.98 O ATOM 197 CB PRO A 14 -16.441 -3.849 -5.449 1.00 1.30 C ATOM 198 CG PRO A 14 -16.923 -2.417 -5.670 1.00 1.28 C ATOM 199 CD PRO A 14 -17.266 -1.948 -4.258 1.00 1.36 C ATOM 0 HA PRO A 14 -15.797 -4.734 -3.543 1.00 1.15 H new ATOM 0 HB2 PRO A 14 -15.762 -4.168 -6.239 1.00 1.30 H new ATOM 0 HB3 PRO A 14 -17.273 -4.554 -5.440 1.00 1.30 H new ATOM 0 HG2 PRO A 14 -16.150 -1.797 -6.125 1.00 1.28 H new ATOM 0 HG3 PRO A 14 -17.790 -2.380 -6.329 1.00 1.28 H new ATOM 0 HD2 PRO A 14 -17.083 -0.879 -4.147 1.00 1.36 H new ATOM 0 HD3 PRO A 14 -18.320 -2.115 -4.037 1.00 1.36 H new ATOM 207 N ASN A 15 -13.817 -2.271 -4.133 1.00 0.80 N ATOM 208 CA ASN A 15 -12.446 -1.834 -4.009 1.00 0.64 C ATOM 209 C ASN A 15 -12.085 -1.387 -2.576 1.00 0.60 C ATOM 210 O ASN A 15 -12.937 -1.022 -1.768 1.00 0.79 O ATOM 211 CB ASN A 15 -12.238 -0.689 -5.013 1.00 0.86 C ATOM 212 CG ASN A 15 -13.001 0.590 -4.668 1.00 1.51 C ATOM 213 OD1 ASN A 15 -12.522 1.440 -3.931 1.00 2.96 O ATOM 214 ND2 ASN A 15 -14.205 0.763 -5.188 1.00 1.65 N ATOM 0 H ASN A 15 -14.475 -1.492 -4.099 1.00 0.80 H new ATOM 0 HA ASN A 15 -11.782 -2.671 -4.225 1.00 0.64 H new ATOM 0 HB2 ASN A 15 -11.174 -0.460 -5.071 1.00 0.86 H new ATOM 0 HB3 ASN A 15 -12.546 -1.027 -6.002 1.00 0.86 H new ATOM 0 HD21 ASN A 15 -14.736 1.607 -4.974 1.00 1.65 H new ATOM 0 HD22 ASN A 15 -14.602 0.052 -5.802 1.00 1.65 H new ATOM 221 N ALA A 16 -10.778 -1.364 -2.314 1.00 0.50 N ATOM 222 CA ALA A 16 -10.104 -1.059 -1.053 1.00 0.48 C ATOM 223 C ALA A 16 -8.665 -0.552 -1.322 1.00 0.44 C ATOM 224 O ALA A 16 -8.279 -0.295 -2.466 1.00 0.42 O ATOM 225 CB ALA A 16 -10.173 -2.297 -0.151 1.00 0.53 C ATOM 0 H ALA A 16 -10.102 -1.578 -3.048 1.00 0.50 H new ATOM 0 HA ALA A 16 -10.603 -0.246 -0.525 1.00 0.48 H new ATOM 0 HB1 ALA A 16 -9.674 -2.086 0.795 1.00 0.53 H new ATOM 0 HB2 ALA A 16 -11.216 -2.552 0.038 1.00 0.53 H new ATOM 0 HB3 ALA A 16 -9.678 -3.134 -0.643 1.00 0.53 H new ATOM 231 N ALA A 17 -7.873 -0.355 -0.269 1.00 0.51 N ATOM 232 CA ALA A 17 -6.469 0.064 -0.330 1.00 0.58 C ATOM 233 C ALA A 17 -5.676 -0.599 0.812 1.00 0.63 C ATOM 234 O ALA A 17 -6.287 -0.980 1.808 1.00 0.72 O ATOM 235 CB ALA A 17 -6.408 1.588 -0.193 1.00 0.72 C ATOM 0 H ALA A 17 -8.202 -0.487 0.687 1.00 0.51 H new ATOM 0 HA ALA A 17 -6.030 -0.240 -1.280 1.00 0.58 H new ATOM 0 HB1 ALA A 17 -5.369 1.916 -0.236 1.00 0.72 H new ATOM 0 HB2 ALA A 17 -6.968 2.049 -1.006 1.00 0.72 H new ATOM 0 HB3 ALA A 17 -6.843 1.885 0.761 1.00 0.72 H new ATOM 241 N ALA A 18 -4.344 -0.687 0.730 1.00 0.62 N ATOM 242 CA ALA A 18 -3.488 -1.199 1.811 1.00 0.59 C ATOM 243 C ALA A 18 -2.365 -0.224 2.200 1.00 0.46 C ATOM 244 O ALA A 18 -1.690 0.345 1.338 1.00 0.49 O ATOM 245 CB ALA A 18 -2.902 -2.557 1.402 1.00 0.73 C ATOM 0 H ALA A 18 -3.822 -0.402 -0.098 1.00 0.62 H new ATOM 0 HA ALA A 18 -4.115 -1.314 2.695 1.00 0.59 H new ATOM 0 HB1 ALA A 18 -2.268 -2.936 2.203 1.00 0.73 H new ATOM 0 HB2 ALA A 18 -3.712 -3.262 1.217 1.00 0.73 H new ATOM 0 HB3 ALA A 18 -2.309 -2.439 0.495 1.00 0.73 H new ATOM 251 N TYR A 19 -2.140 -0.082 3.508 1.00 0.48 N ATOM 252 CA TYR A 19 -1.034 0.650 4.132 1.00 0.51 C ATOM 253 C TYR A 19 -0.094 -0.335 4.866 1.00 0.61 C ATOM 254 O TYR A 19 -0.575 -1.252 5.533 1.00 1.27 O ATOM 255 CB TYR A 19 -1.640 1.658 5.126 1.00 0.60 C ATOM 256 CG TYR A 19 -2.563 2.710 4.527 1.00 0.79 C ATOM 257 CD1 TYR A 19 -2.064 3.658 3.612 1.00 2.26 C ATOM 258 CD2 TYR A 19 -3.906 2.794 4.942 1.00 1.63 C ATOM 259 CE1 TYR A 19 -2.882 4.710 3.159 1.00 2.65 C ATOM 260 CE2 TYR A 19 -4.725 3.855 4.512 1.00 1.77 C ATOM 261 CZ TYR A 19 -4.206 4.838 3.634 1.00 1.74 C ATOM 262 OH TYR A 19 -4.927 5.954 3.322 1.00 2.31 O ATOM 0 H TYR A 19 -2.761 -0.499 4.201 1.00 0.48 H new ATOM 0 HA TYR A 19 -0.447 1.173 3.377 1.00 0.51 H new ATOM 0 HB2 TYR A 19 -2.195 1.104 5.882 1.00 0.60 H new ATOM 0 HB3 TYR A 19 -0.825 2.168 5.639 1.00 0.60 H new ATOM 0 HD1 TYR A 19 -1.048 3.577 3.256 1.00 2.26 H new ATOM 0 HD2 TYR A 19 -4.312 2.037 5.597 1.00 1.63 H new ATOM 0 HE1 TYR A 19 -2.496 5.422 2.445 1.00 2.65 H new ATOM 0 HE2 TYR A 19 -5.748 3.920 4.851 1.00 1.77 H new ATOM 0 HH TYR A 19 -4.357 6.747 3.410 1.00 2.31 H new ATOM 272 N LEU A 20 1.231 -0.172 4.786 1.00 1.02 N ATOM 273 CA LEU A 20 2.212 -1.029 5.483 1.00 1.12 C ATOM 274 C LEU A 20 3.628 -0.467 5.522 1.00 0.97 C ATOM 275 O LEU A 20 4.082 0.179 4.581 1.00 0.85 O ATOM 276 CB LEU A 20 2.166 -2.527 5.062 1.00 1.36 C ATOM 277 CG LEU A 20 2.524 -3.010 3.640 1.00 1.36 C ATOM 278 CD1 LEU A 20 1.679 -2.359 2.539 1.00 2.41 C ATOM 279 CD2 LEU A 20 4.019 -2.917 3.318 1.00 2.56 C ATOM 0 H LEU A 20 1.663 0.566 4.230 1.00 1.02 H new ATOM 0 HA LEU A 20 1.872 -1.010 6.518 1.00 1.12 H new ATOM 0 HB2 LEU A 20 2.825 -3.061 5.746 1.00 1.36 H new ATOM 0 HB3 LEU A 20 1.152 -2.874 5.261 1.00 1.36 H new ATOM 0 HG LEU A 20 2.268 -4.070 3.650 1.00 1.36 H new ATOM 0 HD11 LEU A 20 1.986 -2.746 1.568 1.00 2.41 H new ATOM 0 HD12 LEU A 20 0.626 -2.588 2.705 1.00 2.41 H new ATOM 0 HD13 LEU A 20 1.823 -1.279 2.561 1.00 2.41 H new ATOM 0 HD21 LEU A 20 4.195 -3.273 2.303 1.00 2.56 H new ATOM 0 HD22 LEU A 20 4.345 -1.880 3.401 1.00 2.56 H new ATOM 0 HD23 LEU A 20 4.582 -3.531 4.021 1.00 2.56 H new ATOM 291 N THR A 21 4.328 -0.729 6.629 1.00 1.30 N ATOM 292 CA THR A 21 5.733 -0.364 6.824 1.00 1.27 C ATOM 293 C THR A 21 6.627 -1.392 6.138 1.00 1.32 C ATOM 294 O THR A 21 6.469 -2.590 6.350 1.00 1.59 O ATOM 295 CB THR A 21 6.063 -0.238 8.311 1.00 1.53 C ATOM 296 OG1 THR A 21 5.184 0.698 8.902 1.00 2.04 O ATOM 297 CG2 THR A 21 7.482 0.293 8.525 1.00 2.03 C ATOM 0 H THR A 21 3.924 -1.211 7.432 1.00 1.30 H new ATOM 0 HA THR A 21 5.915 0.611 6.372 1.00 1.27 H new ATOM 0 HB THR A 21 5.967 -1.229 8.755 1.00 1.53 H new ATOM 0 HG1 THR A 21 4.385 0.235 9.230 1.00 2.04 H new ATOM 0 HG21 THR A 21 7.684 0.371 9.593 1.00 2.03 H new ATOM 0 HG22 THR A 21 8.199 -0.390 8.069 1.00 2.03 H new ATOM 0 HG23 THR A 21 7.575 1.277 8.066 1.00 2.03 H new ATOM 305 N LEU A 22 7.575 -0.912 5.335 1.00 1.28 N ATOM 306 CA LEU A 22 8.601 -1.691 4.645 1.00 1.48 C ATOM 307 C LEU A 22 9.995 -1.243 5.108 1.00 1.22 C ATOM 308 O LEU A 22 10.252 -0.044 5.274 1.00 1.20 O ATOM 309 CB LEU A 22 8.446 -1.481 3.122 1.00 1.90 C ATOM 310 CG LEU A 22 9.385 -2.338 2.248 1.00 2.38 C ATOM 311 CD1 LEU A 22 9.207 -3.844 2.496 1.00 2.74 C ATOM 312 CD2 LEU A 22 9.149 -1.996 0.770 1.00 3.14 C ATOM 0 H LEU A 22 7.652 0.086 5.138 1.00 1.28 H new ATOM 0 HA LEU A 22 8.485 -2.749 4.879 1.00 1.48 H new ATOM 0 HB2 LEU A 22 7.415 -1.699 2.843 1.00 1.90 H new ATOM 0 HB3 LEU A 22 8.622 -0.429 2.895 1.00 1.90 H new ATOM 0 HG LEU A 22 10.413 -2.102 2.523 1.00 2.38 H new ATOM 0 HD11 LEU A 22 9.891 -4.401 1.856 1.00 2.74 H new ATOM 0 HD12 LEU A 22 9.423 -4.069 3.541 1.00 2.74 H new ATOM 0 HD13 LEU A 22 8.181 -4.132 2.268 1.00 2.74 H new ATOM 0 HD21 LEU A 22 9.810 -2.599 0.147 1.00 3.14 H new ATOM 0 HD22 LEU A 22 8.112 -2.207 0.509 1.00 3.14 H new ATOM 0 HD23 LEU A 22 9.357 -0.939 0.603 1.00 3.14 H new ATOM 324 N GLU A 23 10.906 -2.204 5.241 1.00 1.20 N ATOM 325 CA GLU A 23 12.331 -1.975 5.470 1.00 1.14 C ATOM 326 C GLU A 23 13.177 -2.745 4.460 1.00 1.00 C ATOM 327 O GLU A 23 12.803 -3.824 3.997 1.00 1.16 O ATOM 328 CB GLU A 23 12.722 -2.325 6.913 1.00 1.53 C ATOM 329 CG GLU A 23 12.709 -3.814 7.288 1.00 2.20 C ATOM 330 CD GLU A 23 12.790 -3.947 8.807 1.00 2.48 C ATOM 331 OE1 GLU A 23 13.903 -3.855 9.366 1.00 3.52 O ATOM 332 OE2 GLU A 23 11.717 -3.944 9.453 1.00 2.84 O ATOM 0 H GLU A 23 10.666 -3.194 5.191 1.00 1.20 H new ATOM 0 HA GLU A 23 12.529 -0.913 5.325 1.00 1.14 H new ATOM 0 HB2 GLU A 23 13.723 -1.936 7.098 1.00 1.53 H new ATOM 0 HB3 GLU A 23 12.046 -1.798 7.586 1.00 1.53 H new ATOM 0 HG2 GLU A 23 11.800 -4.287 6.917 1.00 2.20 H new ATOM 0 HG3 GLU A 23 13.549 -4.327 6.820 1.00 2.20 H new ATOM 339 N ASN A 24 14.342 -2.186 4.141 1.00 0.91 N ATOM 340 CA ASN A 24 15.384 -2.854 3.381 1.00 0.81 C ATOM 341 C ASN A 24 16.512 -3.291 4.332 1.00 0.80 C ATOM 342 O ASN A 24 17.337 -2.459 4.714 1.00 0.88 O ATOM 343 CB ASN A 24 15.913 -1.891 2.312 1.00 0.89 C ATOM 344 CG ASN A 24 16.872 -2.595 1.363 1.00 0.91 C ATOM 345 OD1 ASN A 24 17.135 -3.788 1.458 1.00 1.44 O ATOM 346 ND2 ASN A 24 17.386 -1.873 0.397 1.00 0.92 N ATOM 0 H ASN A 24 14.589 -1.234 4.412 1.00 0.91 H new ATOM 0 HA ASN A 24 14.986 -3.742 2.891 1.00 0.81 H new ATOM 0 HB2 ASN A 24 15.078 -1.476 1.748 1.00 0.89 H new ATOM 0 HB3 ASN A 24 16.421 -1.054 2.792 1.00 0.89 H new ATOM 0 HD21 ASN A 24 18.011 -2.304 -0.284 1.00 0.92 H new ATOM 0 HD22 ASN A 24 17.161 -0.881 0.327 1.00 0.92 H new ATOM 353 N PRO A 25 16.596 -4.576 4.716 1.00 0.82 N ATOM 354 CA PRO A 25 17.688 -5.077 5.548 1.00 0.90 C ATOM 355 C PRO A 25 19.009 -5.257 4.778 1.00 0.90 C ATOM 356 O PRO A 25 20.045 -5.481 5.405 1.00 1.01 O ATOM 357 CB PRO A 25 17.170 -6.413 6.094 1.00 1.00 C ATOM 358 CG PRO A 25 16.249 -6.905 4.977 1.00 1.00 C ATOM 359 CD PRO A 25 15.610 -5.618 4.472 1.00 0.90 C ATOM 0 HA PRO A 25 17.938 -4.365 6.335 1.00 0.90 H new ATOM 0 HB2 PRO A 25 17.983 -7.114 6.285 1.00 1.00 H new ATOM 0 HB3 PRO A 25 16.632 -6.284 7.033 1.00 1.00 H new ATOM 0 HG2 PRO A 25 16.805 -7.416 4.191 1.00 1.00 H new ATOM 0 HG3 PRO A 25 15.503 -7.608 5.348 1.00 1.00 H new ATOM 0 HD2 PRO A 25 15.368 -5.689 3.412 1.00 0.90 H new ATOM 0 HD3 PRO A 25 14.679 -5.409 4.998 1.00 0.90 H new ATOM 367 N GLY A 26 19.001 -5.155 3.440 1.00 0.84 N ATOM 368 CA GLY A 26 20.173 -5.355 2.604 1.00 0.91 C ATOM 369 C GLY A 26 21.056 -4.117 2.510 1.00 0.85 C ATOM 370 O GLY A 26 20.783 -3.061 3.076 1.00 1.12 O ATOM 0 H GLY A 26 18.161 -4.927 2.909 1.00 0.84 H new ATOM 0 HA2 GLY A 26 20.759 -6.183 3.002 1.00 0.91 H new ATOM 0 HA3 GLY A 26 19.853 -5.643 1.603 1.00 0.91 H new ATOM 374 N ASP A 27 22.142 -4.298 1.774 1.00 0.90 N ATOM 375 CA ASP A 27 23.241 -3.366 1.559 1.00 1.19 C ATOM 376 C ASP A 27 23.186 -2.736 0.153 1.00 1.14 C ATOM 377 O ASP A 27 23.951 -1.836 -0.183 1.00 1.31 O ATOM 378 CB ASP A 27 24.502 -4.204 1.769 1.00 1.58 C ATOM 379 CG ASP A 27 24.611 -4.642 3.232 1.00 1.98 C ATOM 380 OD1 ASP A 27 24.011 -5.685 3.586 1.00 2.67 O ATOM 381 OD2 ASP A 27 25.118 -3.863 4.064 1.00 2.78 O ATOM 0 H ASP A 27 22.290 -5.172 1.270 1.00 0.90 H new ATOM 0 HA ASP A 27 23.203 -2.517 2.242 1.00 1.19 H new ATOM 0 HB2 ASP A 27 24.477 -5.080 1.121 1.00 1.58 H new ATOM 0 HB3 ASP A 27 25.382 -3.625 1.489 1.00 1.58 H new ATOM 386 N LEU A 28 22.216 -3.190 -0.644 1.00 0.95 N ATOM 387 CA LEU A 28 21.838 -2.699 -1.965 1.00 0.89 C ATOM 388 C LEU A 28 20.362 -2.255 -1.946 1.00 0.82 C ATOM 389 O LEU A 28 19.615 -2.708 -1.075 1.00 0.84 O ATOM 390 CB LEU A 28 22.184 -3.799 -2.984 1.00 1.03 C ATOM 391 CG LEU A 28 21.407 -5.132 -2.873 1.00 1.44 C ATOM 392 CD1 LEU A 28 20.047 -5.103 -3.590 1.00 1.86 C ATOM 393 CD2 LEU A 28 22.250 -6.261 -3.485 1.00 1.92 C ATOM 0 H LEU A 28 21.630 -3.973 -0.356 1.00 0.95 H new ATOM 0 HA LEU A 28 22.391 -1.808 -2.263 1.00 0.89 H new ATOM 0 HB2 LEU A 28 22.024 -3.396 -3.984 1.00 1.03 H new ATOM 0 HB3 LEU A 28 23.248 -4.019 -2.896 1.00 1.03 H new ATOM 0 HG LEU A 28 21.218 -5.297 -1.812 1.00 1.44 H new ATOM 0 HD11 LEU A 28 19.554 -6.068 -3.474 1.00 1.86 H new ATOM 0 HD12 LEU A 28 19.423 -4.322 -3.155 1.00 1.86 H new ATOM 0 HD13 LEU A 28 20.199 -4.898 -4.650 1.00 1.86 H new ATOM 0 HD21 LEU A 28 21.707 -7.203 -3.409 1.00 1.92 H new ATOM 0 HD22 LEU A 28 22.448 -6.040 -4.534 1.00 1.92 H new ATOM 0 HD23 LEU A 28 23.194 -6.343 -2.947 1.00 1.92 H new ATOM 405 N PRO A 29 19.920 -1.356 -2.845 1.00 0.81 N ATOM 406 CA PRO A 29 18.604 -0.727 -2.758 1.00 0.76 C ATOM 407 C PRO A 29 17.489 -1.655 -3.260 1.00 0.73 C ATOM 408 O PRO A 29 17.705 -2.487 -4.140 1.00 0.80 O ATOM 409 CB PRO A 29 18.709 0.547 -3.599 1.00 0.80 C ATOM 410 CG PRO A 29 19.732 0.174 -4.670 1.00 0.85 C ATOM 411 CD PRO A 29 20.672 -0.805 -3.961 1.00 0.85 C ATOM 0 HA PRO A 29 18.336 -0.504 -1.725 1.00 0.76 H new ATOM 0 HB2 PRO A 29 17.749 0.821 -4.037 1.00 0.80 H new ATOM 0 HB3 PRO A 29 19.042 1.397 -3.003 1.00 0.80 H new ATOM 0 HG2 PRO A 29 19.254 -0.287 -5.535 1.00 0.85 H new ATOM 0 HG3 PRO A 29 20.269 1.051 -5.032 1.00 0.85 H new ATOM 0 HD2 PRO A 29 20.995 -1.594 -4.640 1.00 0.85 H new ATOM 0 HD3 PRO A 29 21.571 -0.297 -3.611 1.00 0.85 H new ATOM 419 N LEU A 30 16.279 -1.471 -2.722 1.00 0.68 N ATOM 420 CA LEU A 30 15.051 -2.104 -3.219 1.00 0.66 C ATOM 421 C LEU A 30 14.196 -1.111 -3.986 1.00 0.65 C ATOM 422 O LEU A 30 14.065 0.055 -3.623 1.00 0.63 O ATOM 423 CB LEU A 30 14.199 -2.670 -2.073 1.00 0.67 C ATOM 424 CG LEU A 30 14.784 -3.955 -1.478 1.00 0.63 C ATOM 425 CD1 LEU A 30 14.166 -4.227 -0.099 1.00 1.55 C ATOM 426 CD2 LEU A 30 14.562 -5.200 -2.346 1.00 1.52 C ATOM 0 H LEU A 30 16.122 -0.868 -1.915 1.00 0.68 H new ATOM 0 HA LEU A 30 15.369 -2.915 -3.874 1.00 0.66 H new ATOM 0 HB2 LEU A 30 14.109 -1.919 -1.288 1.00 0.67 H new ATOM 0 HB3 LEU A 30 13.192 -2.870 -2.439 1.00 0.67 H new ATOM 0 HG LEU A 30 15.858 -3.781 -1.413 1.00 0.63 H new ATOM 0 HD11 LEU A 30 14.589 -5.142 0.315 1.00 1.55 H new ATOM 0 HD12 LEU A 30 14.384 -3.393 0.568 1.00 1.55 H new ATOM 0 HD13 LEU A 30 13.086 -4.339 -0.200 1.00 1.55 H new ATOM 0 HD21 LEU A 30 15.005 -6.068 -1.857 1.00 1.52 H new ATOM 0 HD22 LEU A 30 13.493 -5.365 -2.479 1.00 1.52 H new ATOM 0 HD23 LEU A 30 15.031 -5.053 -3.319 1.00 1.52 H new ATOM 438 N ARG A 31 13.514 -1.647 -4.986 1.00 0.69 N ATOM 439 CA ARG A 31 12.548 -0.905 -5.819 1.00 0.61 C ATOM 440 C ARG A 31 11.268 -1.704 -6.002 1.00 0.63 C ATOM 441 O ARG A 31 11.292 -2.755 -6.635 1.00 0.65 O ATOM 442 CB ARG A 31 13.161 -0.543 -7.177 1.00 0.60 C ATOM 443 CG ARG A 31 12.334 0.543 -7.892 1.00 0.58 C ATOM 444 CD ARG A 31 13.024 1.117 -9.138 1.00 0.70 C ATOM 445 NE ARG A 31 14.220 1.896 -8.773 1.00 1.05 N ATOM 446 CZ ARG A 31 15.461 1.791 -9.222 1.00 1.06 C ATOM 447 NH1 ARG A 31 15.784 1.086 -10.288 1.00 2.01 N ATOM 448 NH2 ARG A 31 16.413 2.415 -8.575 1.00 1.81 N ATOM 0 H ARG A 31 13.610 -2.626 -5.256 1.00 0.69 H new ATOM 0 HA ARG A 31 12.300 0.022 -5.302 1.00 0.61 H new ATOM 0 HB2 ARG A 31 14.183 -0.191 -7.035 1.00 0.60 H new ATOM 0 HB3 ARG A 31 13.215 -1.434 -7.803 1.00 0.60 H new ATOM 0 HG2 ARG A 31 11.370 0.123 -8.181 1.00 0.58 H new ATOM 0 HG3 ARG A 31 12.132 1.354 -7.192 1.00 0.58 H new ATOM 0 HD2 ARG A 31 13.306 0.304 -9.807 1.00 0.70 H new ATOM 0 HD3 ARG A 31 12.326 1.752 -9.684 1.00 0.70 H new ATOM 0 HE ARG A 31 14.070 2.622 -8.072 1.00 1.05 H new ATOM 0 HH11 ARG A 31 15.062 0.589 -10.809 1.00 2.01 H new ATOM 0 HH12 ARG A 31 16.756 1.038 -10.592 1.00 2.01 H new ATOM 0 HH21 ARG A 31 16.190 2.966 -7.746 1.00 1.81 H new ATOM 0 HH22 ARG A 31 17.378 2.350 -8.900 1.00 1.81 H new ATOM 462 N LEU A 32 10.178 -1.225 -5.412 1.00 0.64 N ATOM 463 CA LEU A 32 8.869 -1.860 -5.313 1.00 0.59 C ATOM 464 C LEU A 32 7.988 -1.423 -6.480 1.00 0.55 C ATOM 465 O LEU A 32 7.519 -0.295 -6.515 1.00 0.54 O ATOM 466 CB LEU A 32 8.313 -1.454 -3.939 1.00 0.61 C ATOM 467 CG LEU A 32 6.913 -1.951 -3.537 1.00 0.59 C ATOM 468 CD1 LEU A 32 5.766 -1.179 -4.204 1.00 2.46 C ATOM 469 CD2 LEU A 32 6.781 -3.454 -3.780 1.00 2.59 C ATOM 0 H LEU A 32 10.188 -0.313 -4.956 1.00 0.64 H new ATOM 0 HA LEU A 32 8.915 -2.947 -5.381 1.00 0.59 H new ATOM 0 HB2 LEU A 32 9.017 -1.798 -3.182 1.00 0.61 H new ATOM 0 HB3 LEU A 32 8.304 -0.365 -3.894 1.00 0.61 H new ATOM 0 HG LEU A 32 6.818 -1.754 -2.469 1.00 0.59 H new ATOM 0 HD11 LEU A 32 4.811 -1.587 -3.872 1.00 2.46 H new ATOM 0 HD12 LEU A 32 5.827 -0.126 -3.928 1.00 2.46 H new ATOM 0 HD13 LEU A 32 5.844 -1.275 -5.287 1.00 2.46 H new ATOM 0 HD21 LEU A 32 5.784 -3.783 -3.489 1.00 2.59 H new ATOM 0 HD22 LEU A 32 6.939 -3.667 -4.837 1.00 2.59 H new ATOM 0 HD23 LEU A 32 7.526 -3.985 -3.187 1.00 2.59 H new ATOM 481 N VAL A 33 7.770 -2.331 -7.424 1.00 0.56 N ATOM 482 CA VAL A 33 7.104 -2.060 -8.715 1.00 0.56 C ATOM 483 C VAL A 33 5.679 -2.659 -8.762 1.00 0.58 C ATOM 484 O VAL A 33 4.881 -2.303 -9.624 1.00 0.62 O ATOM 485 CB VAL A 33 7.944 -2.609 -9.898 1.00 0.59 C ATOM 486 CG1 VAL A 33 9.380 -2.044 -9.910 1.00 0.55 C ATOM 487 CG2 VAL A 33 8.066 -4.147 -9.911 1.00 0.65 C ATOM 0 H VAL A 33 8.055 -3.305 -7.321 1.00 0.56 H new ATOM 0 HA VAL A 33 7.021 -0.977 -8.809 1.00 0.56 H new ATOM 0 HB VAL A 33 7.391 -2.282 -10.779 1.00 0.59 H new ATOM 0 HG11 VAL A 33 9.927 -2.459 -10.757 1.00 0.55 H new ATOM 0 HG12 VAL A 33 9.343 -0.958 -9.998 1.00 0.55 H new ATOM 0 HG13 VAL A 33 9.886 -2.316 -8.983 1.00 0.55 H new ATOM 0 HG21 VAL A 33 8.667 -4.457 -10.766 1.00 0.65 H new ATOM 0 HG22 VAL A 33 8.545 -4.482 -8.991 1.00 0.65 H new ATOM 0 HG23 VAL A 33 7.073 -4.590 -9.985 1.00 0.65 H new ATOM 497 N GLY A 34 5.375 -3.612 -7.863 1.00 0.59 N ATOM 498 CA GLY A 34 4.113 -4.360 -7.800 1.00 0.65 C ATOM 499 C GLY A 34 3.819 -4.985 -6.437 1.00 0.65 C ATOM 500 O GLY A 34 4.575 -4.830 -5.482 1.00 0.59 O ATOM 0 H GLY A 34 6.030 -3.891 -7.133 1.00 0.59 H new ATOM 0 HA2 GLY A 34 3.294 -3.691 -8.064 1.00 0.65 H new ATOM 0 HA3 GLY A 34 4.134 -5.149 -8.551 1.00 0.65 H new ATOM 504 N ALA A 35 2.734 -5.752 -6.369 1.00 0.74 N ATOM 505 CA ALA A 35 2.298 -6.492 -5.186 1.00 0.64 C ATOM 506 C ALA A 35 1.391 -7.683 -5.533 1.00 0.57 C ATOM 507 O ALA A 35 1.134 -7.969 -6.703 1.00 0.65 O ATOM 508 CB ALA A 35 1.647 -5.510 -4.204 1.00 0.67 C ATOM 0 H ALA A 35 2.110 -5.881 -7.166 1.00 0.74 H new ATOM 0 HA ALA A 35 3.167 -6.943 -4.707 1.00 0.64 H new ATOM 0 HB1 ALA A 35 1.317 -6.049 -3.316 1.00 0.67 H new ATOM 0 HB2 ALA A 35 2.372 -4.748 -3.917 1.00 0.67 H new ATOM 0 HB3 ALA A 35 0.789 -5.034 -4.680 1.00 0.67 H new ATOM 514 N ARG A 36 0.916 -8.364 -4.493 1.00 0.49 N ATOM 515 CA ARG A 36 -0.098 -9.422 -4.509 1.00 0.47 C ATOM 516 C ARG A 36 -0.760 -9.440 -3.127 1.00 0.49 C ATOM 517 O ARG A 36 -0.210 -8.907 -2.167 1.00 0.62 O ATOM 518 CB ARG A 36 0.581 -10.774 -4.791 1.00 0.67 C ATOM 519 CG ARG A 36 0.226 -11.503 -6.085 1.00 1.05 C ATOM 520 CD ARG A 36 1.080 -12.777 -6.031 1.00 1.78 C ATOM 521 NE ARG A 36 0.930 -13.657 -7.199 1.00 2.48 N ATOM 522 CZ ARG A 36 1.687 -14.734 -7.379 1.00 3.57 C ATOM 523 NH1 ARG A 36 2.603 -15.084 -6.493 1.00 4.18 N ATOM 524 NH2 ARG A 36 1.543 -15.475 -8.457 1.00 4.54 N ATOM 0 H ARG A 36 1.252 -8.180 -3.548 1.00 0.49 H new ATOM 0 HA ARG A 36 -0.843 -9.243 -5.284 1.00 0.47 H new ATOM 0 HB2 ARG A 36 1.659 -10.613 -4.784 1.00 0.67 H new ATOM 0 HB3 ARG A 36 0.353 -11.441 -3.960 1.00 0.67 H new ATOM 0 HG2 ARG A 36 -0.838 -11.736 -6.135 1.00 1.05 H new ATOM 0 HG3 ARG A 36 0.462 -10.900 -6.962 1.00 1.05 H new ATOM 0 HD2 ARG A 36 2.128 -12.494 -5.937 1.00 1.78 H new ATOM 0 HD3 ARG A 36 0.819 -13.337 -5.133 1.00 1.78 H new ATOM 0 HE ARG A 36 0.220 -13.433 -7.896 1.00 2.48 H new ATOM 0 HH11 ARG A 36 2.739 -14.523 -5.652 1.00 4.18 H new ATOM 0 HH12 ARG A 36 3.174 -15.915 -6.650 1.00 4.18 H new ATOM 0 HH21 ARG A 36 0.848 -15.224 -9.160 1.00 4.54 H new ATOM 0 HH22 ARG A 36 2.127 -16.301 -8.590 1.00 4.54 H new ATOM 538 N THR A 37 -1.902 -10.108 -2.990 1.00 0.51 N ATOM 539 CA THR A 37 -2.663 -10.253 -1.738 1.00 0.65 C ATOM 540 C THR A 37 -3.739 -11.307 -1.977 1.00 0.71 C ATOM 541 O THR A 37 -4.224 -11.397 -3.107 1.00 0.67 O ATOM 542 CB THR A 37 -3.215 -8.896 -1.259 1.00 0.73 C ATOM 543 OG1 THR A 37 -4.104 -9.088 -0.194 1.00 0.91 O ATOM 544 CG2 THR A 37 -3.995 -8.124 -2.322 1.00 0.65 C ATOM 0 H THR A 37 -2.346 -10.584 -3.775 1.00 0.51 H new ATOM 0 HA THR A 37 -2.023 -10.590 -0.923 1.00 0.65 H new ATOM 0 HB THR A 37 -2.331 -8.321 -0.983 1.00 0.73 H new ATOM 0 HG1 THR A 37 -3.599 -9.180 0.641 1.00 0.91 H new ATOM 0 HG21 THR A 37 -4.348 -7.182 -1.902 1.00 0.65 H new ATOM 0 HG22 THR A 37 -3.346 -7.921 -3.174 1.00 0.65 H new ATOM 0 HG23 THR A 37 -4.849 -8.717 -2.650 1.00 0.65 H new ATOM 552 N PRO A 38 -4.136 -12.115 -0.975 1.00 0.84 N ATOM 553 CA PRO A 38 -5.168 -13.120 -1.178 1.00 0.87 C ATOM 554 C PRO A 38 -6.546 -12.488 -1.385 1.00 0.78 C ATOM 555 O PRO A 38 -7.420 -13.152 -1.923 1.00 0.80 O ATOM 556 CB PRO A 38 -5.093 -14.028 0.048 1.00 1.03 C ATOM 557 CG PRO A 38 -4.506 -13.156 1.154 1.00 1.07 C ATOM 558 CD PRO A 38 -3.639 -12.151 0.395 1.00 1.01 C ATOM 0 HA PRO A 38 -5.007 -13.696 -2.090 1.00 0.87 H new ATOM 0 HB2 PRO A 38 -6.079 -14.402 0.323 1.00 1.03 H new ATOM 0 HB3 PRO A 38 -4.465 -14.898 -0.144 1.00 1.03 H new ATOM 0 HG2 PRO A 38 -5.287 -12.658 1.729 1.00 1.07 H new ATOM 0 HG3 PRO A 38 -3.916 -13.743 1.858 1.00 1.07 H new ATOM 0 HD2 PRO A 38 -3.699 -11.164 0.854 1.00 1.01 H new ATOM 0 HD3 PRO A 38 -2.591 -12.450 0.418 1.00 1.01 H new ATOM 566 N VAL A 39 -6.725 -11.214 -1.016 1.00 0.76 N ATOM 567 CA VAL A 39 -8.025 -10.504 -1.002 1.00 0.75 C ATOM 568 C VAL A 39 -8.127 -9.405 -2.069 1.00 0.64 C ATOM 569 O VAL A 39 -8.699 -8.337 -1.845 1.00 0.68 O ATOM 570 CB VAL A 39 -8.365 -9.967 0.406 1.00 0.90 C ATOM 571 CG1 VAL A 39 -8.459 -11.121 1.413 1.00 1.15 C ATOM 572 CG2 VAL A 39 -7.344 -8.940 0.909 1.00 0.95 C ATOM 0 H VAL A 39 -5.951 -10.625 -0.709 1.00 0.76 H new ATOM 0 HA VAL A 39 -8.777 -11.248 -1.265 1.00 0.75 H new ATOM 0 HB VAL A 39 -9.329 -9.465 0.321 1.00 0.90 H new ATOM 0 HG11 VAL A 39 -8.699 -10.724 2.399 1.00 1.15 H new ATOM 0 HG12 VAL A 39 -9.240 -11.814 1.100 1.00 1.15 H new ATOM 0 HG13 VAL A 39 -7.504 -11.646 1.455 1.00 1.15 H new ATOM 0 HG21 VAL A 39 -7.633 -8.597 1.902 1.00 0.95 H new ATOM 0 HG22 VAL A 39 -6.357 -9.401 0.957 1.00 0.95 H new ATOM 0 HG23 VAL A 39 -7.315 -8.091 0.226 1.00 0.95 H new ATOM 582 N ALA A 40 -7.614 -9.695 -3.262 1.00 0.58 N ATOM 583 CA ALA A 40 -7.843 -8.908 -4.474 1.00 0.53 C ATOM 584 C ALA A 40 -7.697 -9.787 -5.724 1.00 0.70 C ATOM 585 O ALA A 40 -7.233 -10.930 -5.664 1.00 1.13 O ATOM 586 CB ALA A 40 -6.868 -7.721 -4.505 1.00 0.55 C ATOM 0 H ALA A 40 -7.012 -10.504 -3.418 1.00 0.58 H new ATOM 0 HA ALA A 40 -8.861 -8.520 -4.467 1.00 0.53 H new ATOM 0 HB1 ALA A 40 -7.038 -7.134 -5.408 1.00 0.55 H new ATOM 0 HB2 ALA A 40 -7.030 -7.094 -3.628 1.00 0.55 H new ATOM 0 HB3 ALA A 40 -5.843 -8.092 -4.501 1.00 0.55 H new ATOM 592 N GLU A 41 -8.098 -9.236 -6.864 1.00 0.58 N ATOM 593 CA GLU A 41 -7.769 -9.722 -8.202 1.00 0.70 C ATOM 594 C GLU A 41 -6.776 -8.722 -8.821 1.00 0.67 C ATOM 595 O GLU A 41 -5.595 -9.027 -8.981 1.00 1.17 O ATOM 596 CB GLU A 41 -9.075 -9.899 -9.003 1.00 0.85 C ATOM 597 CG GLU A 41 -8.929 -10.810 -10.227 1.00 1.06 C ATOM 598 CD GLU A 41 -7.979 -10.231 -11.266 1.00 2.68 C ATOM 599 OE1 GLU A 41 -8.207 -9.083 -11.698 1.00 4.03 O ATOM 600 OE2 GLU A 41 -6.966 -10.884 -11.579 1.00 3.95 O ATOM 0 H GLU A 41 -8.686 -8.403 -6.884 1.00 0.58 H new ATOM 0 HA GLU A 41 -7.288 -10.700 -8.196 1.00 0.70 H new ATOM 0 HB2 GLU A 41 -9.841 -10.309 -8.345 1.00 0.85 H new ATOM 0 HB3 GLU A 41 -9.426 -8.920 -9.330 1.00 0.85 H new ATOM 0 HG2 GLU A 41 -8.565 -11.787 -9.909 1.00 1.06 H new ATOM 0 HG3 GLU A 41 -9.908 -10.967 -10.680 1.00 1.06 H new ATOM 607 N ARG A 42 -7.209 -7.470 -9.021 1.00 0.62 N ATOM 608 CA ARG A 42 -6.316 -6.360 -9.330 1.00 0.63 C ATOM 609 C ARG A 42 -5.756 -5.796 -8.031 1.00 0.59 C ATOM 610 O ARG A 42 -6.505 -5.355 -7.160 1.00 0.70 O ATOM 611 CB ARG A 42 -7.034 -5.241 -10.096 1.00 0.84 C ATOM 612 CG ARG A 42 -7.531 -5.607 -11.500 1.00 1.25 C ATOM 613 CD ARG A 42 -6.417 -6.013 -12.474 1.00 2.27 C ATOM 614 NE ARG A 42 -6.107 -7.446 -12.384 1.00 3.76 N ATOM 615 CZ ARG A 42 -5.038 -8.080 -12.837 1.00 5.45 C ATOM 616 NH1 ARG A 42 -4.001 -7.432 -13.327 1.00 6.08 N ATOM 617 NH2 ARG A 42 -4.995 -9.392 -12.800 1.00 6.92 N ATOM 0 H ARG A 42 -8.193 -7.204 -8.972 1.00 0.62 H new ATOM 0 HA ARG A 42 -5.516 -6.740 -9.965 1.00 0.63 H new ATOM 0 HB2 ARG A 42 -7.887 -4.910 -9.504 1.00 0.84 H new ATOM 0 HB3 ARG A 42 -6.356 -4.392 -10.181 1.00 0.84 H new ATOM 0 HG2 ARG A 42 -8.244 -6.427 -11.419 1.00 1.25 H new ATOM 0 HG3 ARG A 42 -8.070 -4.756 -11.916 1.00 1.25 H new ATOM 0 HD2 ARG A 42 -6.719 -5.770 -13.493 1.00 2.27 H new ATOM 0 HD3 ARG A 42 -5.519 -5.433 -12.261 1.00 2.27 H new ATOM 0 HE ARG A 42 -6.803 -8.024 -11.913 1.00 3.76 H new ATOM 0 HH11 ARG A 42 -4.008 -6.413 -13.365 1.00 6.08 H new ATOM 0 HH12 ARG A 42 -3.191 -7.950 -13.669 1.00 6.08 H new ATOM 0 HH21 ARG A 42 -5.784 -9.918 -12.423 1.00 6.92 H new ATOM 0 HH22 ARG A 42 -4.173 -9.885 -13.148 1.00 6.92 H new ATOM 631 N VAL A 43 -4.435 -5.766 -7.963 1.00 0.76 N ATOM 632 CA VAL A 43 -3.682 -4.757 -7.205 1.00 0.64 C ATOM 633 C VAL A 43 -3.287 -3.617 -8.159 1.00 0.85 C ATOM 634 O VAL A 43 -3.224 -3.817 -9.373 1.00 1.46 O ATOM 635 CB VAL A 43 -2.456 -5.366 -6.481 1.00 0.71 C ATOM 636 CG1 VAL A 43 -1.268 -5.640 -7.419 1.00 0.94 C ATOM 637 CG2 VAL A 43 -1.994 -4.505 -5.294 1.00 0.78 C ATOM 0 H VAL A 43 -3.840 -6.446 -8.436 1.00 0.76 H new ATOM 0 HA VAL A 43 -4.316 -4.356 -6.414 1.00 0.64 H new ATOM 0 HB VAL A 43 -2.804 -6.327 -6.103 1.00 0.71 H new ATOM 0 HG11 VAL A 43 -0.444 -6.066 -6.847 1.00 0.94 H new ATOM 0 HG12 VAL A 43 -1.572 -6.342 -8.195 1.00 0.94 H new ATOM 0 HG13 VAL A 43 -0.946 -4.706 -7.880 1.00 0.94 H new ATOM 0 HG21 VAL A 43 -1.132 -4.973 -4.819 1.00 0.78 H new ATOM 0 HG22 VAL A 43 -1.717 -3.513 -5.650 1.00 0.78 H new ATOM 0 HG23 VAL A 43 -2.805 -4.418 -4.570 1.00 0.78 H new ATOM 647 N GLU A 44 -3.010 -2.444 -7.599 1.00 0.60 N ATOM 648 CA GLU A 44 -2.606 -1.202 -8.265 1.00 0.60 C ATOM 649 C GLU A 44 -1.738 -0.405 -7.270 1.00 0.58 C ATOM 650 O GLU A 44 -1.837 -0.643 -6.061 1.00 0.94 O ATOM 651 CB GLU A 44 -3.883 -0.443 -8.692 1.00 0.79 C ATOM 652 CG GLU A 44 -3.910 -0.030 -10.166 1.00 1.17 C ATOM 653 CD GLU A 44 -3.327 1.365 -10.333 1.00 2.73 C ATOM 654 OE1 GLU A 44 -2.130 1.526 -10.024 1.00 4.27 O ATOM 655 OE2 GLU A 44 -4.110 2.283 -10.661 1.00 3.38 O ATOM 0 H GLU A 44 -3.065 -2.323 -6.588 1.00 0.60 H new ATOM 0 HA GLU A 44 -2.017 -1.378 -9.165 1.00 0.60 H new ATOM 0 HB2 GLU A 44 -4.750 -1.071 -8.487 1.00 0.79 H new ATOM 0 HB3 GLU A 44 -3.984 0.450 -8.075 1.00 0.79 H new ATOM 0 HG2 GLU A 44 -3.340 -0.744 -10.761 1.00 1.17 H new ATOM 0 HG3 GLU A 44 -4.934 -0.051 -10.538 1.00 1.17 H new ATOM 662 N LEU A 45 -0.873 0.511 -7.723 1.00 0.63 N ATOM 663 CA LEU A 45 0.120 1.175 -6.859 1.00 0.68 C ATOM 664 C LEU A 45 0.008 2.700 -6.917 1.00 0.54 C ATOM 665 O LEU A 45 0.349 3.328 -7.920 1.00 0.55 O ATOM 666 CB LEU A 45 1.535 0.695 -7.231 1.00 1.11 C ATOM 667 CG LEU A 45 2.657 1.396 -6.430 1.00 0.69 C ATOM 668 CD1 LEU A 45 2.586 1.138 -4.919 1.00 0.91 C ATOM 669 CD2 LEU A 45 4.024 0.940 -6.959 1.00 1.10 C ATOM 0 H LEU A 45 -0.839 0.815 -8.696 1.00 0.63 H new ATOM 0 HA LEU A 45 -0.086 0.895 -5.826 1.00 0.68 H new ATOM 0 HB2 LEU A 45 1.600 -0.380 -7.066 1.00 1.11 H new ATOM 0 HB3 LEU A 45 1.699 0.865 -8.295 1.00 1.11 H new ATOM 0 HG LEU A 45 2.518 2.468 -6.573 1.00 0.69 H new ATOM 0 HD11 LEU A 45 3.403 1.660 -4.422 1.00 0.91 H new ATOM 0 HD12 LEU A 45 1.634 1.502 -4.532 1.00 0.91 H new ATOM 0 HD13 LEU A 45 2.670 0.068 -4.728 1.00 0.91 H new ATOM 0 HD21 LEU A 45 4.815 1.434 -6.395 1.00 1.10 H new ATOM 0 HD22 LEU A 45 4.116 -0.140 -6.845 1.00 1.10 H new ATOM 0 HD23 LEU A 45 4.112 1.202 -8.013 1.00 1.10 H new ATOM 681 N HIS A 46 -0.396 3.310 -5.802 1.00 0.56 N ATOM 682 CA HIS A 46 -0.730 4.728 -5.727 1.00 0.54 C ATOM 683 C HIS A 46 0.090 5.527 -4.700 1.00 0.58 C ATOM 684 O HIS A 46 0.591 5.025 -3.690 1.00 0.66 O ATOM 685 CB HIS A 46 -2.221 4.863 -5.383 1.00 0.54 C ATOM 686 CG HIS A 46 -3.229 4.382 -6.394 1.00 0.53 C ATOM 687 ND1 HIS A 46 -4.591 4.322 -6.150 1.00 0.54 N ATOM 688 CD2 HIS A 46 -3.022 3.902 -7.654 1.00 0.56 C ATOM 689 CE1 HIS A 46 -5.172 3.799 -7.233 1.00 0.58 C ATOM 690 NE2 HIS A 46 -4.246 3.556 -8.174 1.00 0.60 N ATOM 0 H HIS A 46 -0.501 2.822 -4.912 1.00 0.56 H new ATOM 0 HA HIS A 46 -0.488 5.151 -6.702 1.00 0.54 H new ATOM 0 HB2 HIS A 46 -2.399 4.324 -4.453 1.00 0.54 H new ATOM 0 HB3 HIS A 46 -2.424 5.916 -5.185 1.00 0.54 H new ATOM 0 HD1 HIS A 46 -5.064 4.623 -5.298 1.00 0.54 H new ATOM 0 HD2 HIS A 46 -2.068 3.810 -8.153 1.00 0.56 H new ATOM 0 HE1 HIS A 46 -6.229 3.601 -7.336 1.00 0.58 H new ATOM 0 HE2 HIS A 46 -4.420 3.182 -9.107 1.00 0.60 H new ATOM 698 N GLU A 47 0.118 6.828 -4.956 1.00 0.56 N ATOM 699 CA GLU A 47 0.428 7.892 -4.007 1.00 0.59 C ATOM 700 C GLU A 47 -0.861 8.564 -3.475 1.00 0.64 C ATOM 701 O GLU A 47 -1.976 8.106 -3.750 1.00 0.96 O ATOM 702 CB GLU A 47 1.483 8.811 -4.645 1.00 0.70 C ATOM 703 CG GLU A 47 1.106 9.587 -5.907 1.00 0.93 C ATOM 704 CD GLU A 47 0.136 10.698 -5.583 1.00 1.54 C ATOM 705 OE1 GLU A 47 0.617 11.742 -5.108 1.00 2.26 O ATOM 706 OE2 GLU A 47 -1.081 10.460 -5.766 1.00 3.14 O ATOM 0 H GLU A 47 -0.087 7.192 -5.887 1.00 0.56 H new ATOM 0 HA GLU A 47 0.883 7.509 -3.093 1.00 0.59 H new ATOM 0 HB2 GLU A 47 1.792 9.535 -3.891 1.00 0.70 H new ATOM 0 HB3 GLU A 47 2.356 8.202 -4.879 1.00 0.70 H new ATOM 0 HG2 GLU A 47 2.003 10.003 -6.365 1.00 0.93 H new ATOM 0 HG3 GLU A 47 0.661 8.910 -6.636 1.00 0.93 H new ATOM 713 N THR A 48 -0.729 9.609 -2.649 1.00 0.58 N ATOM 714 CA THR A 48 -1.805 10.537 -2.238 1.00 0.54 C ATOM 715 C THR A 48 -1.128 11.836 -1.812 1.00 0.53 C ATOM 716 O THR A 48 -0.037 11.794 -1.250 1.00 0.59 O ATOM 717 CB THR A 48 -2.684 9.943 -1.128 1.00 0.61 C ATOM 718 OG1 THR A 48 -3.493 8.985 -1.750 1.00 0.85 O ATOM 719 CG2 THR A 48 -3.624 10.918 -0.412 1.00 0.62 C ATOM 0 H THR A 48 0.168 9.847 -2.227 1.00 0.58 H new ATOM 0 HA THR A 48 -2.489 10.723 -3.066 1.00 0.54 H new ATOM 0 HB THR A 48 -2.005 9.571 -0.360 1.00 0.61 H new ATOM 0 HG1 THR A 48 -3.194 8.855 -2.674 1.00 0.85 H new ATOM 0 HG21 THR A 48 -4.192 10.383 0.349 1.00 0.62 H new ATOM 0 HG22 THR A 48 -3.039 11.707 0.060 1.00 0.62 H new ATOM 0 HG23 THR A 48 -4.311 11.358 -1.135 1.00 0.62 H new ATOM 727 N PHE A 49 -1.767 12.977 -2.078 1.00 0.57 N ATOM 728 CA PHE A 49 -1.143 14.300 -2.020 1.00 0.64 C ATOM 729 C PHE A 49 -2.144 15.422 -1.719 1.00 0.60 C ATOM 730 O PHE A 49 -3.337 15.196 -1.516 1.00 0.66 O ATOM 731 CB PHE A 49 -0.385 14.562 -3.338 1.00 0.77 C ATOM 732 CG PHE A 49 -1.250 14.720 -4.580 1.00 0.76 C ATOM 733 CD1 PHE A 49 -1.802 13.589 -5.203 1.00 1.80 C ATOM 734 CD2 PHE A 49 -1.466 15.986 -5.155 1.00 1.90 C ATOM 735 CE1 PHE A 49 -2.513 13.703 -6.402 1.00 1.81 C ATOM 736 CE2 PHE A 49 -2.218 16.111 -6.338 1.00 2.00 C ATOM 737 CZ PHE A 49 -2.723 14.964 -6.978 1.00 1.02 C ATOM 0 H PHE A 49 -2.751 13.008 -2.345 1.00 0.57 H new ATOM 0 HA PHE A 49 -0.441 14.303 -1.186 1.00 0.64 H new ATOM 0 HB2 PHE A 49 0.213 15.465 -3.218 1.00 0.77 H new ATOM 0 HB3 PHE A 49 0.310 13.739 -3.505 1.00 0.77 H new ATOM 0 HD1 PHE A 49 -1.676 12.617 -4.750 1.00 1.80 H new ATOM 0 HD2 PHE A 49 -1.052 16.867 -4.686 1.00 1.90 H new ATOM 0 HE1 PHE A 49 -2.901 12.818 -6.885 1.00 1.81 H new ATOM 0 HE2 PHE A 49 -2.408 17.089 -6.755 1.00 2.00 H new ATOM 0 HZ PHE A 49 -3.268 15.054 -7.906 1.00 1.02 H new ATOM 747 N MET A 50 -1.646 16.663 -1.701 1.00 0.64 N ATOM 748 CA MET A 50 -2.404 17.893 -1.476 1.00 0.67 C ATOM 749 C MET A 50 -2.319 18.834 -2.686 1.00 0.63 C ATOM 750 O MET A 50 -1.283 18.933 -3.341 1.00 0.66 O ATOM 751 CB MET A 50 -1.911 18.565 -0.188 1.00 0.83 C ATOM 752 CG MET A 50 -0.418 18.914 -0.204 1.00 2.40 C ATOM 753 SD MET A 50 0.145 19.687 1.329 1.00 2.79 S ATOM 754 CE MET A 50 1.721 20.341 0.731 1.00 4.25 C ATOM 0 H MET A 50 -0.653 16.843 -1.851 1.00 0.64 H new ATOM 0 HA MET A 50 -3.459 17.646 -1.355 1.00 0.67 H new ATOM 0 HB2 MET A 50 -2.486 19.476 -0.022 1.00 0.83 H new ATOM 0 HB3 MET A 50 -2.111 17.904 0.655 1.00 0.83 H new ATOM 0 HG2 MET A 50 0.159 18.006 -0.380 1.00 2.40 H new ATOM 0 HG3 MET A 50 -0.217 19.586 -1.038 1.00 2.40 H new ATOM 0 HE1 MET A 50 2.230 20.862 1.542 1.00 4.25 H new ATOM 0 HE2 MET A 50 2.346 19.520 0.379 1.00 4.25 H new ATOM 0 HE3 MET A 50 1.539 21.036 -0.089 1.00 4.25 H new ATOM 764 N ARG A 51 -3.422 19.524 -2.975 1.00 0.65 N ATOM 765 CA ARG A 51 -3.637 20.367 -4.156 1.00 0.65 C ATOM 766 C ARG A 51 -4.691 21.441 -3.854 1.00 0.76 C ATOM 767 O ARG A 51 -5.516 21.284 -2.956 1.00 0.86 O ATOM 768 CB ARG A 51 -4.095 19.462 -5.321 1.00 0.77 C ATOM 769 CG ARG A 51 -3.693 19.908 -6.739 1.00 1.22 C ATOM 770 CD ARG A 51 -4.858 20.511 -7.529 1.00 1.89 C ATOM 771 NE ARG A 51 -4.485 20.749 -8.935 1.00 2.84 N ATOM 772 CZ ARG A 51 -5.011 21.657 -9.754 1.00 3.77 C ATOM 773 NH1 ARG A 51 -5.885 22.561 -9.362 1.00 4.24 N ATOM 774 NH2 ARG A 51 -4.654 21.671 -11.019 1.00 4.80 N ATOM 0 H ARG A 51 -4.235 19.511 -2.359 1.00 0.65 H new ATOM 0 HA ARG A 51 -2.713 20.876 -4.430 1.00 0.65 H new ATOM 0 HB2 ARG A 51 -3.696 18.462 -5.153 1.00 0.77 H new ATOM 0 HB3 ARG A 51 -5.181 19.382 -5.284 1.00 0.77 H new ATOM 0 HG2 ARG A 51 -2.890 20.642 -6.669 1.00 1.22 H new ATOM 0 HG3 ARG A 51 -3.296 19.052 -7.284 1.00 1.22 H new ATOM 0 HD2 ARG A 51 -5.715 19.839 -7.487 1.00 1.89 H new ATOM 0 HD3 ARG A 51 -5.166 21.450 -7.068 1.00 1.89 H new ATOM 0 HE ARG A 51 -3.749 20.157 -9.320 1.00 2.84 H new ATOM 0 HH11 ARG A 51 -6.190 22.588 -8.389 1.00 4.24 H new ATOM 0 HH12 ARG A 51 -6.257 23.235 -10.032 1.00 4.24 H new ATOM 0 HH21 ARG A 51 -3.979 20.990 -11.366 1.00 4.80 H new ATOM 0 HH22 ARG A 51 -5.052 22.363 -11.654 1.00 4.80 H new ATOM 788 N GLU A 52 -4.706 22.498 -4.647 1.00 0.93 N ATOM 789 CA GLU A 52 -5.551 23.655 -4.496 1.00 0.99 C ATOM 790 C GLU A 52 -6.493 23.787 -5.685 1.00 1.06 C ATOM 791 O GLU A 52 -6.091 23.532 -6.818 1.00 1.17 O ATOM 792 CB GLU A 52 -4.592 24.846 -4.467 1.00 1.13 C ATOM 793 CG GLU A 52 -5.157 25.933 -3.588 1.00 1.43 C ATOM 794 CD GLU A 52 -5.271 25.518 -2.121 1.00 1.78 C ATOM 795 OE1 GLU A 52 -4.579 24.566 -1.691 1.00 2.91 O ATOM 796 OE2 GLU A 52 -6.164 26.085 -1.465 1.00 2.07 O ATOM 0 H GLU A 52 -4.091 22.569 -5.458 1.00 0.93 H new ATOM 0 HA GLU A 52 -6.167 23.590 -3.599 1.00 0.99 H new ATOM 0 HB2 GLU A 52 -3.618 24.532 -4.092 1.00 1.13 H new ATOM 0 HB3 GLU A 52 -4.438 25.225 -5.477 1.00 1.13 H new ATOM 0 HG2 GLU A 52 -4.524 26.817 -3.661 1.00 1.43 H new ATOM 0 HG3 GLU A 52 -6.143 26.215 -3.957 1.00 1.43 H new ATOM 803 N VAL A 53 -7.725 24.213 -5.439 1.00 1.13 N ATOM 804 CA VAL A 53 -8.601 24.764 -6.483 1.00 1.27 C ATOM 805 C VAL A 53 -8.470 26.293 -6.445 1.00 1.37 C ATOM 806 O VAL A 53 -7.352 26.803 -6.488 1.00 2.81 O ATOM 807 CB VAL A 53 -10.026 24.149 -6.456 1.00 1.98 C ATOM 808 CG1 VAL A 53 -10.604 24.162 -7.881 1.00 2.29 C ATOM 809 CG2 VAL A 53 -10.029 22.685 -5.966 1.00 2.57 C ATOM 0 H VAL A 53 -8.152 24.189 -4.513 1.00 1.13 H new ATOM 0 HA VAL A 53 -8.286 24.465 -7.483 1.00 1.27 H new ATOM 0 HB VAL A 53 -10.621 24.748 -5.766 1.00 1.98 H new ATOM 0 HG11 VAL A 53 -11.605 23.732 -7.871 1.00 2.29 H new ATOM 0 HG12 VAL A 53 -10.654 25.189 -8.244 1.00 2.29 H new ATOM 0 HG13 VAL A 53 -9.963 23.575 -8.539 1.00 2.29 H new ATOM 0 HG21 VAL A 53 -11.050 22.303 -5.966 1.00 2.57 H new ATOM 0 HG22 VAL A 53 -9.414 22.078 -6.630 1.00 2.57 H new ATOM 0 HG23 VAL A 53 -9.625 22.639 -4.955 1.00 2.57 H new ATOM 819 N GLU A 54 -9.569 27.030 -6.341 1.00 1.76 N ATOM 820 CA GLU A 54 -9.615 28.505 -6.238 1.00 1.82 C ATOM 821 C GLU A 54 -9.104 29.081 -4.887 1.00 1.83 C ATOM 822 O GLU A 54 -9.776 29.906 -4.267 1.00 2.03 O ATOM 823 CB GLU A 54 -11.066 28.954 -6.433 1.00 2.15 C ATOM 824 CG GLU A 54 -11.732 28.503 -7.744 1.00 2.32 C ATOM 825 CD GLU A 54 -12.810 27.479 -7.435 1.00 2.29 C ATOM 826 OE1 GLU A 54 -12.464 26.414 -6.877 1.00 2.88 O ATOM 827 OE2 GLU A 54 -14.014 27.782 -7.584 1.00 2.95 O ATOM 0 H GLU A 54 -10.498 26.610 -6.324 1.00 1.76 H new ATOM 0 HA GLU A 54 -8.943 28.886 -7.006 1.00 1.82 H new ATOM 0 HB2 GLU A 54 -11.658 28.580 -5.598 1.00 2.15 H new ATOM 0 HB3 GLU A 54 -11.100 30.042 -6.385 1.00 2.15 H new ATOM 0 HG2 GLU A 54 -12.166 29.361 -8.258 1.00 2.32 H new ATOM 0 HG3 GLU A 54 -10.988 28.073 -8.414 1.00 2.32 H new ATOM 834 N GLY A 55 -7.980 28.591 -4.355 1.00 1.73 N ATOM 835 CA GLY A 55 -7.654 28.755 -2.928 1.00 1.89 C ATOM 836 C GLY A 55 -8.491 27.822 -2.043 1.00 1.67 C ATOM 837 O GLY A 55 -8.639 28.044 -0.842 1.00 1.95 O ATOM 0 H GLY A 55 -7.278 28.077 -4.888 1.00 1.73 H new ATOM 0 HA2 GLY A 55 -6.595 28.552 -2.771 1.00 1.89 H new ATOM 0 HA3 GLY A 55 -7.827 29.790 -2.632 1.00 1.89 H new ATOM 841 N LYS A 56 -9.076 26.780 -2.650 1.00 1.34 N ATOM 842 CA LYS A 56 -9.730 25.694 -1.922 1.00 1.37 C ATOM 843 C LYS A 56 -8.751 24.524 -1.765 1.00 1.19 C ATOM 844 O LYS A 56 -8.515 23.781 -2.726 1.00 1.16 O ATOM 845 CB LYS A 56 -11.004 25.233 -2.652 1.00 1.49 C ATOM 846 CG LYS A 56 -12.035 26.341 -2.921 1.00 1.80 C ATOM 847 CD LYS A 56 -13.200 25.751 -3.728 1.00 2.31 C ATOM 848 CE LYS A 56 -14.127 26.853 -4.252 1.00 2.42 C ATOM 849 NZ LYS A 56 -14.826 26.405 -5.479 1.00 2.78 N ATOM 0 H LYS A 56 -9.107 26.670 -3.664 1.00 1.34 H new ATOM 0 HA LYS A 56 -10.022 26.056 -0.936 1.00 1.37 H new ATOM 0 HB2 LYS A 56 -10.718 24.785 -3.604 1.00 1.49 H new ATOM 0 HB3 LYS A 56 -11.480 24.450 -2.062 1.00 1.49 H new ATOM 0 HG2 LYS A 56 -12.399 26.754 -1.980 1.00 1.80 H new ATOM 0 HG3 LYS A 56 -11.573 27.161 -3.471 1.00 1.80 H new ATOM 0 HD2 LYS A 56 -12.809 25.172 -4.565 1.00 2.31 H new ATOM 0 HD3 LYS A 56 -13.767 25.062 -3.102 1.00 2.31 H new ATOM 0 HE2 LYS A 56 -14.857 27.116 -3.487 1.00 2.42 H new ATOM 0 HE3 LYS A 56 -13.549 27.752 -4.464 1.00 2.42 H new ATOM 0 HZ1 LYS A 56 -14.917 27.204 -6.138 1.00 2.78 H new ATOM 0 HZ2 LYS A 56 -14.281 25.643 -5.931 1.00 2.78 H new ATOM 0 HZ3 LYS A 56 -15.772 26.052 -5.230 1.00 2.78 H new ATOM 863 N LYS A 57 -8.220 24.322 -0.560 1.00 1.16 N ATOM 864 CA LYS A 57 -7.239 23.281 -0.283 1.00 1.05 C ATOM 865 C LYS A 57 -7.929 21.916 -0.222 1.00 1.00 C ATOM 866 O LYS A 57 -8.867 21.712 0.558 1.00 1.16 O ATOM 867 CB LYS A 57 -6.431 23.675 0.973 1.00 1.18 C ATOM 868 CG LYS A 57 -7.217 23.664 2.297 1.00 2.24 C ATOM 869 CD LYS A 57 -7.015 22.341 3.050 1.00 3.92 C ATOM 870 CE LYS A 57 -8.191 22.030 3.987 1.00 5.82 C ATOM 871 NZ LYS A 57 -9.288 21.343 3.260 1.00 7.52 N ATOM 0 H LYS A 57 -8.463 24.883 0.257 1.00 1.16 H new ATOM 0 HA LYS A 57 -6.510 23.187 -1.088 1.00 1.05 H new ATOM 0 HB2 LYS A 57 -5.585 22.995 1.067 1.00 1.18 H new ATOM 0 HB3 LYS A 57 -6.022 24.674 0.822 1.00 1.18 H new ATOM 0 HG2 LYS A 57 -6.892 24.495 2.923 1.00 2.24 H new ATOM 0 HG3 LYS A 57 -8.278 23.812 2.095 1.00 2.24 H new ATOM 0 HD2 LYS A 57 -6.898 21.529 2.332 1.00 3.92 H new ATOM 0 HD3 LYS A 57 -6.093 22.390 3.629 1.00 3.92 H new ATOM 0 HE2 LYS A 57 -7.848 21.403 4.810 1.00 5.82 H new ATOM 0 HE3 LYS A 57 -8.565 22.955 4.425 1.00 5.82 H new ATOM 0 HZ1 LYS A 57 -10.203 21.624 3.666 1.00 7.52 H new ATOM 0 HZ2 LYS A 57 -9.259 21.610 2.255 1.00 7.52 H new ATOM 0 HZ3 LYS A 57 -9.172 20.313 3.348 1.00 7.52 H new ATOM 885 N VAL A 58 -7.465 20.979 -1.031 1.00 0.92 N ATOM 886 CA VAL A 58 -8.044 19.643 -1.227 1.00 0.90 C ATOM 887 C VAL A 58 -6.929 18.608 -1.409 1.00 0.78 C ATOM 888 O VAL A 58 -5.746 18.946 -1.403 1.00 0.93 O ATOM 889 CB VAL A 58 -9.078 19.688 -2.389 1.00 0.98 C ATOM 890 CG1 VAL A 58 -8.442 19.873 -3.777 1.00 2.01 C ATOM 891 CG2 VAL A 58 -10.041 18.489 -2.395 1.00 2.55 C ATOM 0 H VAL A 58 -6.633 21.128 -1.602 1.00 0.92 H new ATOM 0 HA VAL A 58 -8.596 19.326 -0.343 1.00 0.90 H new ATOM 0 HB VAL A 58 -9.665 20.583 -2.181 1.00 0.98 H new ATOM 0 HG11 VAL A 58 -9.224 19.895 -4.536 1.00 2.01 H new ATOM 0 HG12 VAL A 58 -7.887 20.811 -3.801 1.00 2.01 H new ATOM 0 HG13 VAL A 58 -7.763 19.045 -3.980 1.00 2.01 H new ATOM 0 HG21 VAL A 58 -10.735 18.584 -3.230 1.00 2.55 H new ATOM 0 HG22 VAL A 58 -9.472 17.565 -2.499 1.00 2.55 H new ATOM 0 HG23 VAL A 58 -10.600 18.467 -1.460 1.00 2.55 H new ATOM 901 N MET A 59 -7.291 17.336 -1.514 1.00 0.70 N ATOM 902 CA MET A 59 -6.361 16.212 -1.590 1.00 0.65 C ATOM 903 C MET A 59 -6.633 15.370 -2.838 1.00 0.67 C ATOM 904 O MET A 59 -7.762 15.313 -3.320 1.00 0.88 O ATOM 905 CB MET A 59 -6.427 15.392 -0.291 1.00 0.71 C ATOM 906 CG MET A 59 -5.798 16.145 0.896 1.00 0.76 C ATOM 907 SD MET A 59 -6.769 17.461 1.694 1.00 2.18 S ATOM 908 CE MET A 59 -5.423 18.630 2.018 1.00 3.03 C ATOM 0 H MET A 59 -8.269 17.047 -1.550 1.00 0.70 H new ATOM 0 HA MET A 59 -5.342 16.586 -1.686 1.00 0.65 H new ATOM 0 HB2 MET A 59 -7.467 15.157 -0.062 1.00 0.71 H new ATOM 0 HB3 MET A 59 -5.910 14.443 -0.434 1.00 0.71 H new ATOM 0 HG2 MET A 59 -5.544 15.410 1.659 1.00 0.76 H new ATOM 0 HG3 MET A 59 -4.861 16.584 0.553 1.00 0.76 H new ATOM 0 HE1 MET A 59 -5.805 19.476 2.589 1.00 3.03 H new ATOM 0 HE2 MET A 59 -4.638 18.132 2.588 1.00 3.03 H new ATOM 0 HE3 MET A 59 -5.015 18.986 1.072 1.00 3.03 H new ATOM 918 N GLY A 60 -5.573 14.762 -3.376 1.00 0.61 N ATOM 919 CA GLY A 60 -5.571 14.008 -4.634 1.00 0.70 C ATOM 920 C GLY A 60 -4.929 12.631 -4.480 1.00 0.56 C ATOM 921 O GLY A 60 -4.280 12.359 -3.477 1.00 0.56 O ATOM 0 H GLY A 60 -4.656 14.782 -2.930 1.00 0.61 H new ATOM 0 HA2 GLY A 60 -6.595 13.892 -4.988 1.00 0.70 H new ATOM 0 HA3 GLY A 60 -5.034 14.575 -5.394 1.00 0.70 H new ATOM 925 N MET A 61 -5.098 11.773 -5.489 1.00 0.52 N ATOM 926 CA MET A 61 -4.488 10.441 -5.574 1.00 0.51 C ATOM 927 C MET A 61 -4.265 10.044 -7.034 1.00 0.52 C ATOM 928 O MET A 61 -5.129 10.229 -7.903 1.00 0.62 O ATOM 929 CB MET A 61 -5.392 9.441 -4.838 1.00 0.57 C ATOM 930 CG MET A 61 -5.153 7.954 -5.154 1.00 0.59 C ATOM 931 SD MET A 61 -6.484 6.787 -4.706 1.00 0.57 S ATOM 932 CE MET A 61 -7.181 7.570 -3.232 1.00 0.65 C ATOM 0 H MET A 61 -5.682 11.992 -6.296 1.00 0.52 H new ATOM 0 HA MET A 61 -3.508 10.444 -5.097 1.00 0.51 H new ATOM 0 HB2 MET A 61 -5.265 9.589 -3.766 1.00 0.57 H new ATOM 0 HB3 MET A 61 -6.430 9.679 -5.072 1.00 0.57 H new ATOM 0 HG2 MET A 61 -4.967 7.861 -6.224 1.00 0.59 H new ATOM 0 HG3 MET A 61 -4.242 7.641 -4.643 1.00 0.59 H new ATOM 0 HE1 MET A 61 -7.892 6.891 -2.761 1.00 0.65 H new ATOM 0 HE2 MET A 61 -6.380 7.801 -2.529 1.00 0.65 H new ATOM 0 HE3 MET A 61 -7.691 8.491 -3.516 1.00 0.65 H new ATOM 942 N ARG A 62 -3.098 9.470 -7.291 1.00 0.52 N ATOM 943 CA ARG A 62 -2.574 9.124 -8.608 1.00 0.59 C ATOM 944 C ARG A 62 -1.747 7.823 -8.524 1.00 0.58 C ATOM 945 O ARG A 62 -1.204 7.507 -7.462 1.00 0.57 O ATOM 946 CB ARG A 62 -1.736 10.322 -9.115 1.00 0.67 C ATOM 947 CG ARG A 62 -2.536 11.533 -9.631 1.00 1.20 C ATOM 948 CD ARG A 62 -3.287 11.310 -10.950 1.00 2.46 C ATOM 949 NE ARG A 62 -4.561 10.601 -10.736 1.00 4.51 N ATOM 950 CZ ARG A 62 -5.386 10.144 -11.669 1.00 6.33 C ATOM 951 NH1 ARG A 62 -5.172 10.336 -12.958 1.00 6.50 N ATOM 952 NH2 ARG A 62 -6.454 9.469 -11.299 1.00 8.13 N ATOM 0 H ARG A 62 -2.452 9.218 -6.543 1.00 0.52 H new ATOM 0 HA ARG A 62 -3.381 8.934 -9.316 1.00 0.59 H new ATOM 0 HB2 ARG A 62 -1.089 10.657 -8.304 1.00 0.67 H new ATOM 0 HB3 ARG A 62 -1.086 9.972 -9.917 1.00 0.67 H new ATOM 0 HG2 ARG A 62 -3.257 11.824 -8.867 1.00 1.20 H new ATOM 0 HG3 ARG A 62 -1.852 12.372 -9.759 1.00 1.20 H new ATOM 0 HD2 ARG A 62 -3.480 12.271 -11.426 1.00 2.46 H new ATOM 0 HD3 ARG A 62 -2.661 10.736 -11.633 1.00 2.46 H new ATOM 0 HE ARG A 62 -4.838 10.445 -9.767 1.00 4.51 H new ATOM 0 HH11 ARG A 62 -4.348 10.852 -13.267 1.00 6.50 H new ATOM 0 HH12 ARG A 62 -5.831 9.968 -13.645 1.00 6.50 H new ATOM 0 HH21 ARG A 62 -6.636 9.305 -10.309 1.00 8.13 H new ATOM 0 HH22 ARG A 62 -7.100 9.110 -12.002 1.00 8.13 H new ATOM 966 N PRO A 63 -1.692 7.029 -9.609 1.00 0.60 N ATOM 967 CA PRO A 63 -0.844 5.852 -9.658 1.00 0.58 C ATOM 968 C PRO A 63 0.611 6.257 -9.876 1.00 0.58 C ATOM 969 O PRO A 63 0.885 7.332 -10.413 1.00 0.60 O ATOM 970 CB PRO A 63 -1.391 5.000 -10.798 1.00 0.60 C ATOM 971 CG PRO A 63 -1.893 6.055 -11.784 1.00 0.66 C ATOM 972 CD PRO A 63 -2.422 7.164 -10.864 1.00 0.66 C ATOM 0 HA PRO A 63 -0.855 5.288 -8.725 1.00 0.58 H new ATOM 0 HB2 PRO A 63 -0.621 4.367 -11.238 1.00 0.60 H new ATOM 0 HB3 PRO A 63 -2.193 4.341 -10.464 1.00 0.60 H new ATOM 0 HG2 PRO A 63 -1.093 6.415 -12.431 1.00 0.66 H new ATOM 0 HG3 PRO A 63 -2.676 5.661 -12.433 1.00 0.66 H new ATOM 0 HD2 PRO A 63 -2.260 8.147 -11.306 1.00 0.66 H new ATOM 0 HD3 PRO A 63 -3.495 7.059 -10.704 1.00 0.66 H new ATOM 980 N VAL A 64 1.530 5.389 -9.451 1.00 0.58 N ATOM 981 CA VAL A 64 2.982 5.590 -9.583 1.00 0.58 C ATOM 982 C VAL A 64 3.645 4.321 -10.138 1.00 0.58 C ATOM 983 O VAL A 64 3.156 3.226 -9.867 1.00 0.60 O ATOM 984 CB VAL A 64 3.641 6.037 -8.252 1.00 0.64 C ATOM 985 CG1 VAL A 64 3.141 7.427 -7.838 1.00 0.67 C ATOM 986 CG2 VAL A 64 3.448 5.061 -7.084 1.00 0.87 C ATOM 0 H VAL A 64 1.286 4.509 -8.996 1.00 0.58 H new ATOM 0 HA VAL A 64 3.139 6.404 -10.291 1.00 0.58 H new ATOM 0 HB VAL A 64 4.710 6.059 -8.463 1.00 0.64 H new ATOM 0 HG11 VAL A 64 3.616 7.721 -6.902 1.00 0.67 H new ATOM 0 HG12 VAL A 64 3.391 8.150 -8.614 1.00 0.67 H new ATOM 0 HG13 VAL A 64 2.060 7.399 -7.703 1.00 0.67 H new ATOM 0 HG21 VAL A 64 3.942 5.455 -6.196 1.00 0.87 H new ATOM 0 HG22 VAL A 64 2.384 4.939 -6.884 1.00 0.87 H new ATOM 0 HG23 VAL A 64 3.882 4.095 -7.342 1.00 0.87 H new ATOM 996 N PRO A 65 4.737 4.445 -10.924 1.00 0.61 N ATOM 997 CA PRO A 65 5.364 3.318 -11.618 1.00 0.64 C ATOM 998 C PRO A 65 6.090 2.384 -10.651 1.00 0.62 C ATOM 999 O PRO A 65 6.275 1.215 -10.975 1.00 0.66 O ATOM 1000 CB PRO A 65 6.318 3.950 -12.634 1.00 0.66 C ATOM 1001 CG PRO A 65 6.734 5.255 -11.959 1.00 0.64 C ATOM 1002 CD PRO A 65 5.468 5.672 -11.213 1.00 0.63 C ATOM 0 HA PRO A 65 4.623 2.686 -12.108 1.00 0.64 H new ATOM 0 HB2 PRO A 65 7.176 3.308 -12.833 1.00 0.66 H new ATOM 0 HB3 PRO A 65 5.826 4.130 -13.590 1.00 0.66 H new ATOM 0 HG2 PRO A 65 7.574 5.109 -11.279 1.00 0.64 H new ATOM 0 HG3 PRO A 65 7.040 6.007 -12.687 1.00 0.64 H new ATOM 0 HD2 PRO A 65 5.716 6.202 -10.293 1.00 0.63 H new ATOM 0 HD3 PRO A 65 4.866 6.349 -11.819 1.00 0.63 H new ATOM 1010 N PHE A 66 6.464 2.901 -9.476 1.00 0.55 N ATOM 1011 CA PHE A 66 7.100 2.183 -8.377 1.00 0.49 C ATOM 1012 C PHE A 66 7.222 3.073 -7.125 1.00 0.48 C ATOM 1013 O PHE A 66 6.989 4.283 -7.176 1.00 0.57 O ATOM 1014 CB PHE A 66 8.470 1.626 -8.820 1.00 0.44 C ATOM 1015 CG PHE A 66 9.461 2.680 -9.243 1.00 0.43 C ATOM 1016 CD1 PHE A 66 10.292 3.271 -8.282 1.00 1.81 C ATOM 1017 CD2 PHE A 66 9.526 3.085 -10.583 1.00 1.85 C ATOM 1018 CE1 PHE A 66 11.174 4.297 -8.635 1.00 1.88 C ATOM 1019 CE2 PHE A 66 10.431 4.100 -10.954 1.00 1.81 C ATOM 1020 CZ PHE A 66 11.250 4.710 -9.978 1.00 0.49 C ATOM 0 H PHE A 66 6.321 3.887 -9.259 1.00 0.55 H new ATOM 0 HA PHE A 66 6.468 1.338 -8.105 1.00 0.49 H new ATOM 0 HB2 PHE A 66 8.898 1.050 -7.999 1.00 0.44 H new ATOM 0 HB3 PHE A 66 8.317 0.934 -9.648 1.00 0.44 H new ATOM 0 HD1 PHE A 66 10.251 2.930 -7.258 1.00 1.81 H new ATOM 0 HD2 PHE A 66 8.889 2.624 -11.324 1.00 1.85 H new ATOM 0 HE1 PHE A 66 11.791 4.768 -7.884 1.00 1.88 H new ATOM 0 HE2 PHE A 66 10.498 4.412 -11.986 1.00 1.81 H new ATOM 0 HZ PHE A 66 11.935 5.494 -10.263 1.00 0.49 H new ATOM 1030 N LEU A 67 7.651 2.462 -6.016 1.00 0.48 N ATOM 1031 CA LEU A 67 8.301 3.104 -4.867 1.00 0.50 C ATOM 1032 C LEU A 67 9.739 2.590 -4.756 1.00 0.53 C ATOM 1033 O LEU A 67 10.054 1.518 -5.271 1.00 0.58 O ATOM 1034 CB LEU A 67 7.585 2.756 -3.547 1.00 0.53 C ATOM 1035 CG LEU A 67 6.055 2.870 -3.524 1.00 0.58 C ATOM 1036 CD1 LEU A 67 5.582 2.540 -2.107 1.00 0.70 C ATOM 1037 CD2 LEU A 67 5.563 4.259 -3.911 1.00 0.58 C ATOM 0 H LEU A 67 7.549 1.455 -5.888 1.00 0.48 H new ATOM 0 HA LEU A 67 8.267 4.182 -5.025 1.00 0.50 H new ATOM 0 HB2 LEU A 67 7.851 1.734 -3.279 1.00 0.53 H new ATOM 0 HB3 LEU A 67 7.983 3.404 -2.766 1.00 0.53 H new ATOM 0 HG LEU A 67 5.647 2.175 -4.258 1.00 0.58 H new ATOM 0 HD11 LEU A 67 4.495 2.613 -2.060 1.00 0.70 H new ATOM 0 HD12 LEU A 67 5.889 1.527 -1.848 1.00 0.70 H new ATOM 0 HD13 LEU A 67 6.024 3.245 -1.403 1.00 0.70 H new ATOM 0 HD21 LEU A 67 4.474 4.282 -3.878 1.00 0.58 H new ATOM 0 HD22 LEU A 67 5.963 4.994 -3.213 1.00 0.58 H new ATOM 0 HD23 LEU A 67 5.900 4.496 -4.920 1.00 0.58 H new ATOM 1049 N GLU A 68 10.610 3.298 -4.048 1.00 0.58 N ATOM 1050 CA GLU A 68 12.000 2.881 -3.835 1.00 0.68 C ATOM 1051 C GLU A 68 12.420 3.010 -2.373 1.00 0.66 C ATOM 1052 O GLU A 68 11.908 3.875 -1.668 1.00 0.72 O ATOM 1053 CB GLU A 68 12.910 3.690 -4.764 1.00 0.95 C ATOM 1054 CG GLU A 68 14.405 3.380 -4.558 1.00 1.01 C ATOM 1055 CD GLU A 68 15.236 3.536 -5.833 1.00 0.84 C ATOM 1056 OE1 GLU A 68 14.677 3.851 -6.905 1.00 2.01 O ATOM 1057 OE2 GLU A 68 16.430 3.176 -5.820 1.00 1.76 O ATOM 0 H GLU A 68 10.375 4.184 -3.600 1.00 0.58 H new ATOM 0 HA GLU A 68 12.092 1.822 -4.078 1.00 0.68 H new ATOM 0 HB2 GLU A 68 12.640 3.482 -5.800 1.00 0.95 H new ATOM 0 HB3 GLU A 68 12.738 4.753 -4.597 1.00 0.95 H new ATOM 0 HG2 GLU A 68 14.804 4.042 -3.789 1.00 1.01 H new ATOM 0 HG3 GLU A 68 14.510 2.361 -4.187 1.00 1.01 H new ATOM 1064 N VAL A 69 13.365 2.163 -1.940 1.00 0.66 N ATOM 1065 CA VAL A 69 13.976 2.236 -0.615 1.00 0.71 C ATOM 1066 C VAL A 69 15.498 1.997 -0.672 1.00 0.75 C ATOM 1067 O VAL A 69 15.925 0.983 -1.230 1.00 0.77 O ATOM 1068 CB VAL A 69 13.335 1.221 0.375 1.00 0.78 C ATOM 1069 CG1 VAL A 69 13.687 1.546 1.838 1.00 0.75 C ATOM 1070 CG2 VAL A 69 11.805 1.093 0.267 1.00 1.07 C ATOM 0 H VAL A 69 13.728 1.400 -2.511 1.00 0.66 H new ATOM 0 HA VAL A 69 13.791 3.247 -0.252 1.00 0.71 H new ATOM 0 HB VAL A 69 13.768 0.266 0.076 1.00 0.78 H new ATOM 0 HG11 VAL A 69 13.220 0.813 2.496 1.00 0.75 H new ATOM 0 HG12 VAL A 69 14.769 1.513 1.968 1.00 0.75 H new ATOM 0 HG13 VAL A 69 13.322 2.542 2.087 1.00 0.75 H new ATOM 0 HG21 VAL A 69 11.449 0.364 0.995 1.00 1.07 H new ATOM 0 HG22 VAL A 69 11.344 2.060 0.467 1.00 1.07 H new ATOM 0 HG23 VAL A 69 11.537 0.764 -0.737 1.00 1.07 H new ATOM 1080 N PRO A 70 16.325 2.880 -0.070 1.00 0.82 N ATOM 1081 CA PRO A 70 17.772 2.689 0.029 1.00 0.87 C ATOM 1082 C PRO A 70 18.123 1.559 1.017 1.00 0.87 C ATOM 1083 O PRO A 70 17.268 1.157 1.807 1.00 0.89 O ATOM 1084 CB PRO A 70 18.319 4.044 0.497 1.00 0.95 C ATOM 1085 CG PRO A 70 17.179 4.607 1.341 1.00 0.93 C ATOM 1086 CD PRO A 70 15.939 4.119 0.596 1.00 0.86 C ATOM 0 HA PRO A 70 18.210 2.385 -0.922 1.00 0.87 H new ATOM 0 HB2 PRO A 70 19.233 3.930 1.080 1.00 0.95 H new ATOM 0 HB3 PRO A 70 18.557 4.695 -0.344 1.00 0.95 H new ATOM 0 HG2 PRO A 70 17.210 4.233 2.365 1.00 0.93 H new ATOM 0 HG3 PRO A 70 17.216 5.695 1.398 1.00 0.93 H new ATOM 0 HD2 PRO A 70 15.112 3.949 1.286 1.00 0.86 H new ATOM 0 HD3 PRO A 70 15.603 4.861 -0.128 1.00 0.86 H new ATOM 1094 N PRO A 71 19.365 1.039 1.002 1.00 0.88 N ATOM 1095 CA PRO A 71 19.810 0.016 1.943 1.00 0.87 C ATOM 1096 C PRO A 71 19.757 0.494 3.395 1.00 0.93 C ATOM 1097 O PRO A 71 20.046 1.653 3.687 1.00 1.02 O ATOM 1098 CB PRO A 71 21.214 -0.374 1.497 1.00 0.92 C ATOM 1099 CG PRO A 71 21.708 0.812 0.677 1.00 0.97 C ATOM 1100 CD PRO A 71 20.430 1.376 0.070 1.00 0.93 C ATOM 0 HA PRO A 71 19.146 -0.848 1.929 1.00 0.87 H new ATOM 0 HB2 PRO A 71 21.863 -0.560 2.353 1.00 0.92 H new ATOM 0 HB3 PRO A 71 21.200 -1.287 0.902 1.00 0.92 H new ATOM 0 HG2 PRO A 71 22.216 1.548 1.300 1.00 0.97 H new ATOM 0 HG3 PRO A 71 22.416 0.502 -0.092 1.00 0.97 H new ATOM 0 HD2 PRO A 71 20.504 2.455 -0.065 1.00 0.93 H new ATOM 0 HD3 PRO A 71 20.240 0.944 -0.913 1.00 0.93 H new ATOM 1108 N LYS A 72 19.344 -0.410 4.294 1.00 0.93 N ATOM 1109 CA LYS A 72 19.164 -0.198 5.747 1.00 1.03 C ATOM 1110 C LYS A 72 18.019 0.772 6.106 1.00 1.10 C ATOM 1111 O LYS A 72 17.734 0.994 7.284 1.00 1.25 O ATOM 1112 CB LYS A 72 20.495 0.205 6.413 1.00 1.17 C ATOM 1113 CG LYS A 72 21.709 -0.622 5.959 1.00 1.37 C ATOM 1114 CD LYS A 72 21.580 -2.135 6.199 1.00 1.15 C ATOM 1115 CE LYS A 72 22.753 -2.846 5.518 1.00 1.38 C ATOM 1116 NZ LYS A 72 22.661 -4.320 5.614 1.00 1.61 N ATOM 0 H LYS A 72 19.112 -1.364 4.017 1.00 0.93 H new ATOM 0 HA LYS A 72 18.852 -1.159 6.156 1.00 1.03 H new ATOM 0 HB2 LYS A 72 20.688 1.257 6.203 1.00 1.17 H new ATOM 0 HB3 LYS A 72 20.390 0.110 7.494 1.00 1.17 H new ATOM 0 HG2 LYS A 72 21.872 -0.449 4.895 1.00 1.37 H new ATOM 0 HG3 LYS A 72 22.595 -0.259 6.481 1.00 1.37 H new ATOM 0 HD2 LYS A 72 21.579 -2.349 7.268 1.00 1.15 H new ATOM 0 HD3 LYS A 72 20.634 -2.501 5.800 1.00 1.15 H new ATOM 0 HE2 LYS A 72 22.788 -2.556 4.468 1.00 1.38 H new ATOM 0 HE3 LYS A 72 23.687 -2.514 5.972 1.00 1.38 H new ATOM 0 HZ1 LYS A 72 23.388 -4.671 6.270 1.00 1.61 H new ATOM 0 HZ2 LYS A 72 21.719 -4.587 5.966 1.00 1.61 H new ATOM 0 HZ3 LYS A 72 22.811 -4.739 4.674 1.00 1.61 H new ATOM 1130 N GLY A 73 17.363 1.350 5.097 1.00 1.09 N ATOM 1131 CA GLY A 73 16.285 2.341 5.226 1.00 1.22 C ATOM 1132 C GLY A 73 14.892 1.728 5.402 1.00 1.13 C ATOM 1133 O GLY A 73 14.693 0.527 5.221 1.00 0.95 O ATOM 0 H GLY A 73 17.576 1.132 4.124 1.00 1.09 H new ATOM 0 HA2 GLY A 73 16.498 2.985 6.079 1.00 1.22 H new ATOM 0 HA3 GLY A 73 16.282 2.976 4.340 1.00 1.22 H new ATOM 1137 N ARG A 74 13.914 2.587 5.717 1.00 1.42 N ATOM 1138 CA ARG A 74 12.476 2.271 5.728 1.00 1.42 C ATOM 1139 C ARG A 74 11.694 3.196 4.792 1.00 1.78 C ATOM 1140 O ARG A 74 12.084 4.344 4.609 1.00 2.28 O ATOM 1141 CB ARG A 74 11.877 2.423 7.139 1.00 1.75 C ATOM 1142 CG ARG A 74 12.395 1.379 8.131 1.00 1.74 C ATOM 1143 CD ARG A 74 11.637 1.380 9.441 1.00 1.83 C ATOM 1144 NE ARG A 74 12.209 0.394 10.382 1.00 2.91 N ATOM 1145 CZ ARG A 74 11.937 -0.907 10.400 1.00 4.07 C ATOM 1146 NH1 ARG A 74 10.855 -1.417 9.857 1.00 4.45 N ATOM 1147 NH2 ARG A 74 12.782 -1.751 10.937 1.00 5.42 N ATOM 0 H ARG A 74 14.106 3.554 5.980 1.00 1.42 H new ATOM 0 HA ARG A 74 12.389 1.237 5.393 1.00 1.42 H new ATOM 0 HB2 ARG A 74 12.105 3.419 7.518 1.00 1.75 H new ATOM 0 HB3 ARG A 74 10.791 2.347 7.076 1.00 1.75 H new ATOM 0 HG2 ARG A 74 12.326 0.390 7.678 1.00 1.74 H new ATOM 0 HG3 ARG A 74 13.451 1.566 8.328 1.00 1.74 H new ATOM 0 HD2 ARG A 74 11.671 2.375 9.885 1.00 1.83 H new ATOM 0 HD3 ARG A 74 10.588 1.148 9.259 1.00 1.83 H new ATOM 0 HE ARG A 74 12.869 0.742 11.077 1.00 2.91 H new ATOM 0 HH11 ARG A 74 10.180 -0.807 9.396 1.00 4.45 H new ATOM 0 HH12 ARG A 74 10.690 -2.423 9.896 1.00 4.45 H new ATOM 0 HH21 ARG A 74 13.653 -1.411 11.344 1.00 5.42 H new ATOM 0 HH22 ARG A 74 12.569 -2.748 10.948 1.00 5.42 H new ATOM 1161 N VAL A 75 10.549 2.712 4.311 1.00 1.70 N ATOM 1162 CA VAL A 75 9.434 3.514 3.768 1.00 2.09 C ATOM 1163 C VAL A 75 8.139 2.856 4.226 1.00 1.56 C ATOM 1164 O VAL A 75 8.030 1.636 4.171 1.00 1.52 O ATOM 1165 CB VAL A 75 9.433 3.582 2.217 1.00 2.86 C ATOM 1166 CG1 VAL A 75 8.145 4.200 1.633 1.00 3.35 C ATOM 1167 CG2 VAL A 75 10.616 4.424 1.709 1.00 3.61 C ATOM 0 H VAL A 75 10.357 1.711 4.284 1.00 1.70 H new ATOM 0 HA VAL A 75 9.539 4.536 4.131 1.00 2.09 H new ATOM 0 HB VAL A 75 9.507 2.547 1.884 1.00 2.86 H new ATOM 0 HG11 VAL A 75 8.211 4.217 0.545 1.00 3.35 H new ATOM 0 HG12 VAL A 75 7.285 3.602 1.935 1.00 3.35 H new ATOM 0 HG13 VAL A 75 8.028 5.218 2.006 1.00 3.35 H new ATOM 0 HG21 VAL A 75 10.597 4.459 0.620 1.00 3.61 H new ATOM 0 HG22 VAL A 75 10.539 5.436 2.106 1.00 3.61 H new ATOM 0 HG23 VAL A 75 11.552 3.974 2.041 1.00 3.61 H new ATOM 1177 N GLU A 76 7.154 3.630 4.664 1.00 1.45 N ATOM 1178 CA GLU A 76 5.795 3.143 4.900 1.00 1.05 C ATOM 1179 C GLU A 76 4.875 3.591 3.762 1.00 0.93 C ATOM 1180 O GLU A 76 4.886 4.751 3.339 1.00 1.17 O ATOM 1181 CB GLU A 76 5.222 3.528 6.285 1.00 1.31 C ATOM 1182 CG GLU A 76 6.167 4.236 7.270 1.00 1.86 C ATOM 1183 CD GLU A 76 6.379 5.686 6.840 1.00 2.67 C ATOM 1184 OE1 GLU A 76 5.508 6.540 7.121 1.00 3.36 O ATOM 1185 OE2 GLU A 76 7.352 5.964 6.104 1.00 3.75 O ATOM 0 H GLU A 76 7.274 4.622 4.868 1.00 1.45 H new ATOM 0 HA GLU A 76 5.848 2.054 4.912 1.00 1.05 H new ATOM 0 HB2 GLU A 76 4.358 4.173 6.125 1.00 1.31 H new ATOM 0 HB3 GLU A 76 4.857 2.619 6.763 1.00 1.31 H new ATOM 0 HG2 GLU A 76 5.748 4.204 8.276 1.00 1.86 H new ATOM 0 HG3 GLU A 76 7.124 3.715 7.307 1.00 1.86 H new ATOM 1192 N LEU A 77 4.036 2.668 3.297 1.00 0.75 N ATOM 1193 CA LEU A 77 2.813 2.984 2.580 1.00 0.80 C ATOM 1194 C LEU A 77 1.829 3.514 3.636 1.00 1.19 C ATOM 1195 O LEU A 77 1.312 2.752 4.451 1.00 2.32 O ATOM 1196 CB LEU A 77 2.316 1.744 1.811 1.00 0.77 C ATOM 1197 CG LEU A 77 3.145 1.377 0.558 1.00 0.73 C ATOM 1198 CD1 LEU A 77 4.424 0.587 0.879 1.00 0.67 C ATOM 1199 CD2 LEU A 77 2.295 0.536 -0.403 1.00 1.11 C ATOM 0 H LEU A 77 4.193 1.667 3.412 1.00 0.75 H new ATOM 0 HA LEU A 77 2.948 3.746 1.813 1.00 0.80 H new ATOM 0 HB2 LEU A 77 2.314 0.891 2.490 1.00 0.77 H new ATOM 0 HB3 LEU A 77 1.283 1.913 1.508 1.00 0.77 H new ATOM 0 HG LEU A 77 3.441 2.324 0.107 1.00 0.73 H new ATOM 0 HD11 LEU A 77 4.956 0.364 -0.046 1.00 0.67 H new ATOM 0 HD12 LEU A 77 5.064 1.181 1.531 1.00 0.67 H new ATOM 0 HD13 LEU A 77 4.160 -0.345 1.380 1.00 0.67 H new ATOM 0 HD21 LEU A 77 2.885 0.281 -1.283 1.00 1.11 H new ATOM 0 HD22 LEU A 77 1.977 -0.378 0.098 1.00 1.11 H new ATOM 0 HD23 LEU A 77 1.418 1.107 -0.707 1.00 1.11 H new ATOM 1211 N LYS A 78 1.683 4.840 3.683 1.00 1.03 N ATOM 1212 CA LYS A 78 1.189 5.629 4.815 1.00 1.06 C ATOM 1213 C LYS A 78 -0.166 6.330 4.561 1.00 0.89 C ATOM 1214 O LYS A 78 -0.434 6.703 3.414 1.00 0.86 O ATOM 1215 CB LYS A 78 2.293 6.649 5.167 1.00 1.34 C ATOM 1216 CG LYS A 78 2.553 7.706 4.070 1.00 1.33 C ATOM 1217 CD LYS A 78 3.798 8.551 4.378 1.00 1.66 C ATOM 1218 CE LYS A 78 5.078 7.737 4.148 1.00 2.29 C ATOM 1219 NZ LYS A 78 6.164 8.137 5.064 1.00 3.01 N ATOM 0 H LYS A 78 1.921 5.428 2.884 1.00 1.03 H new ATOM 0 HA LYS A 78 0.983 4.954 5.646 1.00 1.06 H new ATOM 0 HB2 LYS A 78 2.019 7.160 6.090 1.00 1.34 H new ATOM 0 HB3 LYS A 78 3.220 6.110 5.364 1.00 1.34 H new ATOM 0 HG2 LYS A 78 2.680 7.209 3.108 1.00 1.33 H new ATOM 0 HG3 LYS A 78 1.684 8.358 3.980 1.00 1.33 H new ATOM 0 HD2 LYS A 78 3.807 9.438 3.745 1.00 1.66 H new ATOM 0 HD3 LYS A 78 3.762 8.897 5.411 1.00 1.66 H new ATOM 0 HE2 LYS A 78 4.862 6.677 4.284 1.00 2.29 H new ATOM 0 HE3 LYS A 78 5.408 7.866 3.117 1.00 2.29 H new ATOM 0 HZ1 LYS A 78 6.986 7.517 4.920 1.00 3.01 H new ATOM 0 HZ2 LYS A 78 6.436 9.122 4.871 1.00 3.01 H new ATOM 0 HZ3 LYS A 78 5.837 8.054 6.048 1.00 3.01 H new ATOM 1233 N PRO A 79 -0.976 6.588 5.618 1.00 1.09 N ATOM 1234 CA PRO A 79 -2.340 7.119 5.534 1.00 1.34 C ATOM 1235 C PRO A 79 -2.465 8.353 4.636 1.00 1.18 C ATOM 1236 O PRO A 79 -3.191 8.308 3.644 1.00 2.01 O ATOM 1237 CB PRO A 79 -2.815 7.366 6.974 1.00 1.84 C ATOM 1238 CG PRO A 79 -1.547 7.275 7.817 1.00 1.70 C ATOM 1239 CD PRO A 79 -0.680 6.307 7.018 1.00 1.37 C ATOM 0 HA PRO A 79 -2.988 6.393 5.044 1.00 1.34 H new ATOM 0 HB2 PRO A 79 -3.288 8.343 7.074 1.00 1.84 H new ATOM 0 HB3 PRO A 79 -3.550 6.623 7.282 1.00 1.84 H new ATOM 0 HG2 PRO A 79 -1.067 8.247 7.933 1.00 1.70 H new ATOM 0 HG3 PRO A 79 -1.754 6.900 8.819 1.00 1.70 H new ATOM 0 HD2 PRO A 79 0.378 6.457 7.234 1.00 1.37 H new ATOM 0 HD3 PRO A 79 -0.913 5.272 7.269 1.00 1.37 H new ATOM 1247 N GLY A 80 -1.711 9.418 4.939 1.00 1.12 N ATOM 1248 CA GLY A 80 -1.616 10.612 4.091 1.00 1.14 C ATOM 1249 C GLY A 80 -0.574 10.467 2.981 1.00 1.02 C ATOM 1250 O GLY A 80 0.369 11.252 2.938 1.00 1.79 O ATOM 0 H GLY A 80 -1.146 9.475 5.786 1.00 1.12 H new ATOM 0 HA2 GLY A 80 -2.590 10.814 3.645 1.00 1.14 H new ATOM 0 HA3 GLY A 80 -1.364 11.473 4.710 1.00 1.14 H new ATOM 1254 N GLY A 81 -0.716 9.450 2.121 1.00 0.73 N ATOM 1255 CA GLY A 81 0.185 9.191 0.992 1.00 0.75 C ATOM 1256 C GLY A 81 0.118 7.774 0.431 1.00 0.98 C ATOM 1257 O GLY A 81 -0.944 7.299 0.025 1.00 1.93 O ATOM 0 H GLY A 81 -1.475 8.772 2.192 1.00 0.73 H new ATOM 0 HA2 GLY A 81 -0.046 9.894 0.192 1.00 0.75 H new ATOM 0 HA3 GLY A 81 1.208 9.393 1.308 1.00 0.75 H new ATOM 1261 N TYR A 82 1.269 7.106 0.338 1.00 0.61 N ATOM 1262 CA TYR A 82 1.411 5.955 -0.560 1.00 0.59 C ATOM 1263 C TYR A 82 0.641 4.730 -0.074 1.00 0.60 C ATOM 1264 O TYR A 82 0.564 4.447 1.115 1.00 0.68 O ATOM 1265 CB TYR A 82 2.883 5.569 -0.715 1.00 0.65 C ATOM 1266 CG TYR A 82 3.733 6.587 -1.441 1.00 0.67 C ATOM 1267 CD1 TYR A 82 3.638 6.686 -2.839 1.00 1.70 C ATOM 1268 CD2 TYR A 82 4.641 7.405 -0.741 1.00 1.88 C ATOM 1269 CE1 TYR A 82 4.465 7.572 -3.544 1.00 1.73 C ATOM 1270 CE2 TYR A 82 5.452 8.317 -1.442 1.00 1.97 C ATOM 1271 CZ TYR A 82 5.372 8.401 -2.850 1.00 0.94 C ATOM 1272 OH TYR A 82 6.166 9.271 -3.533 1.00 1.15 O ATOM 0 H TYR A 82 2.110 7.338 0.867 1.00 0.61 H new ATOM 0 HA TYR A 82 0.994 6.267 -1.518 1.00 0.59 H new ATOM 0 HB2 TYR A 82 3.307 5.403 0.275 1.00 0.65 H new ATOM 0 HB3 TYR A 82 2.941 4.621 -1.249 1.00 0.65 H new ATOM 0 HD1 TYR A 82 2.924 6.077 -3.374 1.00 1.70 H new ATOM 0 HD2 TYR A 82 4.715 7.332 0.334 1.00 1.88 H new ATOM 0 HE1 TYR A 82 4.408 7.620 -4.621 1.00 1.73 H new ATOM 0 HE2 TYR A 82 6.137 8.954 -0.902 1.00 1.97 H new ATOM 0 HH TYR A 82 6.729 9.765 -2.901 1.00 1.15 H new ATOM 1282 N HIS A 83 0.054 4.003 -1.013 1.00 0.57 N ATOM 1283 CA HIS A 83 -0.776 2.833 -0.715 1.00 0.56 C ATOM 1284 C HIS A 83 -0.955 1.939 -1.944 1.00 0.55 C ATOM 1285 O HIS A 83 -0.990 2.434 -3.071 1.00 0.57 O ATOM 1286 CB HIS A 83 -2.121 3.280 -0.119 1.00 0.59 C ATOM 1287 CG HIS A 83 -2.946 4.133 -1.037 1.00 0.56 C ATOM 1288 ND1 HIS A 83 -2.803 5.486 -1.257 1.00 0.53 N ATOM 1289 CD2 HIS A 83 -3.900 3.670 -1.901 1.00 0.58 C ATOM 1290 CE1 HIS A 83 -3.638 5.822 -2.255 1.00 0.52 C ATOM 1291 NE2 HIS A 83 -4.351 4.756 -2.636 1.00 0.55 N ATOM 0 H HIS A 83 0.137 4.205 -2.009 1.00 0.57 H new ATOM 0 HA HIS A 83 -0.264 2.225 0.030 1.00 0.56 H new ATOM 0 HB2 HIS A 83 -2.697 2.396 0.153 1.00 0.59 H new ATOM 0 HB3 HIS A 83 -1.932 3.833 0.801 1.00 0.59 H new ATOM 0 HD1 HIS A 83 -2.178 6.117 -0.755 1.00 0.53 H new ATOM 0 HD2 HIS A 83 -4.239 2.649 -1.994 1.00 0.58 H new ATOM 0 HE1 HIS A 83 -3.721 6.809 -2.686 1.00 0.52 H new ATOM 1299 N PHE A 84 -1.177 0.641 -1.732 1.00 0.57 N ATOM 1300 CA PHE A 84 -1.718 -0.187 -2.808 1.00 0.57 C ATOM 1301 C PHE A 84 -3.214 0.090 -2.919 1.00 0.53 C ATOM 1302 O PHE A 84 -3.883 0.244 -1.899 1.00 0.54 O ATOM 1303 CB PHE A 84 -1.458 -1.674 -2.548 1.00 0.60 C ATOM 1304 CG PHE A 84 0.006 -2.051 -2.560 1.00 0.66 C ATOM 1305 CD1 PHE A 84 0.724 -1.981 -3.769 1.00 1.42 C ATOM 1306 CD2 PHE A 84 0.651 -2.477 -1.383 1.00 1.75 C ATOM 1307 CE1 PHE A 84 2.085 -2.317 -3.795 1.00 1.41 C ATOM 1308 CE2 PHE A 84 2.015 -2.819 -1.412 1.00 1.90 C ATOM 1309 CZ PHE A 84 2.735 -2.717 -2.611 1.00 0.96 C ATOM 0 H PHE A 84 -0.997 0.153 -0.854 1.00 0.57 H new ATOM 0 HA PHE A 84 -1.222 0.064 -3.746 1.00 0.57 H new ATOM 0 HB2 PHE A 84 -1.885 -1.944 -1.582 1.00 0.60 H new ATOM 0 HB3 PHE A 84 -1.981 -2.262 -3.303 1.00 0.60 H new ATOM 0 HD1 PHE A 84 0.227 -1.669 -4.676 1.00 1.42 H new ATOM 0 HD2 PHE A 84 0.098 -2.541 -0.458 1.00 1.75 H new ATOM 0 HE1 PHE A 84 2.635 -2.269 -4.723 1.00 1.41 H new ATOM 0 HE2 PHE A 84 2.507 -3.159 -0.513 1.00 1.90 H new ATOM 0 HZ PHE A 84 3.790 -2.946 -2.627 1.00 0.96 H new ATOM 1319 N MET A 85 -3.753 0.108 -4.136 1.00 0.55 N ATOM 1320 CA MET A 85 -5.188 -0.012 -4.405 1.00 0.53 C ATOM 1321 C MET A 85 -5.516 -1.487 -4.634 1.00 0.44 C ATOM 1322 O MET A 85 -4.780 -2.171 -5.343 1.00 0.54 O ATOM 1323 CB MET A 85 -5.607 0.827 -5.614 1.00 0.67 C ATOM 1324 CG MET A 85 -6.995 1.439 -5.379 1.00 0.75 C ATOM 1325 SD MET A 85 -7.043 2.749 -4.109 1.00 0.63 S ATOM 1326 CE MET A 85 -8.834 2.822 -3.815 1.00 0.66 C ATOM 0 H MET A 85 -3.193 0.209 -4.983 1.00 0.55 H new ATOM 0 HA MET A 85 -5.744 0.367 -3.548 1.00 0.53 H new ATOM 0 HB2 MET A 85 -4.877 1.618 -5.787 1.00 0.67 H new ATOM 0 HB3 MET A 85 -5.622 0.206 -6.509 1.00 0.67 H new ATOM 0 HG2 MET A 85 -7.360 1.850 -6.320 1.00 0.75 H new ATOM 0 HG3 MET A 85 -7.683 0.645 -5.089 1.00 0.75 H new ATOM 0 HE1 MET A 85 -9.091 3.783 -3.369 1.00 0.66 H new ATOM 0 HE2 MET A 85 -9.363 2.708 -4.761 1.00 0.66 H new ATOM 0 HE3 MET A 85 -9.125 2.019 -3.138 1.00 0.66 H new ATOM 1336 N LEU A 86 -6.601 -1.979 -4.041 1.00 0.39 N ATOM 1337 CA LEU A 86 -7.082 -3.353 -4.182 1.00 0.39 C ATOM 1338 C LEU A 86 -8.473 -3.318 -4.824 1.00 0.41 C ATOM 1339 O LEU A 86 -9.300 -2.486 -4.450 1.00 0.55 O ATOM 1340 CB LEU A 86 -7.164 -4.007 -2.786 1.00 0.42 C ATOM 1341 CG LEU A 86 -5.847 -4.490 -2.139 1.00 0.43 C ATOM 1342 CD1 LEU A 86 -4.758 -3.420 -1.949 1.00 0.48 C ATOM 1343 CD2 LEU A 86 -6.190 -5.067 -0.756 1.00 0.52 C ATOM 0 H LEU A 86 -7.190 -1.414 -3.429 1.00 0.39 H new ATOM 0 HA LEU A 86 -6.403 -3.932 -4.807 1.00 0.39 H new ATOM 0 HB2 LEU A 86 -7.628 -3.291 -2.107 1.00 0.42 H new ATOM 0 HB3 LEU A 86 -7.836 -4.862 -2.856 1.00 0.42 H new ATOM 0 HG LEU A 86 -5.425 -5.217 -2.833 1.00 0.43 H new ATOM 0 HD11 LEU A 86 -3.880 -3.872 -1.487 1.00 0.48 H new ATOM 0 HD12 LEU A 86 -4.484 -3.004 -2.918 1.00 0.48 H new ATOM 0 HD13 LEU A 86 -5.137 -2.625 -1.307 1.00 0.48 H new ATOM 0 HD21 LEU A 86 -5.279 -5.418 -0.272 1.00 0.52 H new ATOM 0 HD22 LEU A 86 -6.652 -4.293 -0.143 1.00 0.52 H new ATOM 0 HD23 LEU A 86 -6.883 -5.900 -0.871 1.00 0.52 H new ATOM 1355 N LEU A 87 -8.756 -4.229 -5.756 1.00 0.47 N ATOM 1356 CA LEU A 87 -10.087 -4.444 -6.331 1.00 0.63 C ATOM 1357 C LEU A 87 -10.359 -5.947 -6.480 1.00 0.65 C ATOM 1358 O LEU A 87 -9.437 -6.729 -6.728 1.00 0.65 O ATOM 1359 CB LEU A 87 -10.257 -3.742 -7.698 1.00 0.91 C ATOM 1360 CG LEU A 87 -9.909 -2.236 -7.779 1.00 0.83 C ATOM 1361 CD1 LEU A 87 -8.422 -1.972 -8.087 1.00 1.47 C ATOM 1362 CD2 LEU A 87 -10.744 -1.576 -8.885 1.00 1.56 C ATOM 0 H LEU A 87 -8.049 -4.854 -6.143 1.00 0.47 H new ATOM 0 HA LEU A 87 -10.810 -4.003 -5.645 1.00 0.63 H new ATOM 0 HB2 LEU A 87 -9.639 -4.269 -8.425 1.00 0.91 H new ATOM 0 HB3 LEU A 87 -11.294 -3.865 -8.012 1.00 0.91 H new ATOM 0 HG LEU A 87 -10.130 -1.816 -6.798 1.00 0.83 H new ATOM 0 HD11 LEU A 87 -8.245 -0.897 -8.130 1.00 1.47 H new ATOM 0 HD12 LEU A 87 -7.805 -2.410 -7.303 1.00 1.47 H new ATOM 0 HD13 LEU A 87 -8.164 -2.421 -9.046 1.00 1.47 H new ATOM 0 HD21 LEU A 87 -10.499 -0.515 -8.942 1.00 1.56 H new ATOM 0 HD22 LEU A 87 -10.523 -2.051 -9.841 1.00 1.56 H new ATOM 0 HD23 LEU A 87 -11.804 -1.692 -8.659 1.00 1.56 H new ATOM 1374 N GLY A 88 -11.625 -6.357 -6.349 1.00 0.72 N ATOM 1375 CA GLY A 88 -12.027 -7.756 -6.557 1.00 0.77 C ATOM 1376 C GLY A 88 -11.697 -8.651 -5.362 1.00 0.79 C ATOM 1377 O GLY A 88 -11.210 -9.765 -5.547 1.00 0.95 O ATOM 0 H GLY A 88 -12.395 -5.737 -6.098 1.00 0.72 H new ATOM 0 HA2 GLY A 88 -13.099 -7.796 -6.750 1.00 0.77 H new ATOM 0 HA3 GLY A 88 -11.528 -8.144 -7.445 1.00 0.77 H new ATOM 1381 N LEU A 89 -11.910 -8.134 -4.150 1.00 0.73 N ATOM 1382 CA LEU A 89 -11.778 -8.849 -2.876 1.00 0.79 C ATOM 1383 C LEU A 89 -12.376 -10.260 -2.840 1.00 0.83 C ATOM 1384 O LEU A 89 -13.402 -10.572 -3.435 1.00 1.03 O ATOM 1385 CB LEU A 89 -12.220 -7.979 -1.679 1.00 0.86 C ATOM 1386 CG LEU A 89 -13.398 -7.004 -1.907 1.00 0.88 C ATOM 1387 CD1 LEU A 89 -14.701 -7.720 -2.288 1.00 1.44 C ATOM 1388 CD2 LEU A 89 -13.630 -6.165 -0.648 1.00 1.46 C ATOM 0 H LEU A 89 -12.192 -7.162 -4.023 1.00 0.73 H new ATOM 0 HA LEU A 89 -10.708 -9.031 -2.778 1.00 0.79 H new ATOM 0 HB2 LEU A 89 -12.488 -8.645 -0.859 1.00 0.86 H new ATOM 0 HB3 LEU A 89 -11.359 -7.397 -1.349 1.00 0.86 H new ATOM 0 HG LEU A 89 -13.121 -6.366 -2.746 1.00 0.88 H new ATOM 0 HD11 LEU A 89 -15.491 -6.984 -2.435 1.00 1.44 H new ATOM 0 HD12 LEU A 89 -14.552 -8.281 -3.211 1.00 1.44 H new ATOM 0 HD13 LEU A 89 -14.987 -8.405 -1.489 1.00 1.44 H new ATOM 0 HD21 LEU A 89 -14.461 -5.480 -0.815 1.00 1.46 H new ATOM 0 HD22 LEU A 89 -13.864 -6.822 0.189 1.00 1.46 H new ATOM 0 HD23 LEU A 89 -12.730 -5.594 -0.420 1.00 1.46 H new ATOM 1400 N LYS A 90 -11.661 -11.127 -2.117 1.00 0.86 N ATOM 1401 CA LYS A 90 -11.878 -12.584 -2.129 1.00 0.90 C ATOM 1402 C LYS A 90 -12.463 -13.153 -0.822 1.00 1.00 C ATOM 1403 O LYS A 90 -12.747 -14.346 -0.746 1.00 1.17 O ATOM 1404 CB LYS A 90 -10.557 -13.283 -2.484 1.00 0.94 C ATOM 1405 CG LYS A 90 -9.878 -12.787 -3.777 1.00 1.02 C ATOM 1406 CD LYS A 90 -10.735 -12.982 -5.034 1.00 1.15 C ATOM 1407 CE LYS A 90 -10.063 -12.514 -6.338 1.00 1.09 C ATOM 1408 NZ LYS A 90 -8.716 -13.092 -6.555 1.00 2.56 N ATOM 0 H LYS A 90 -10.904 -10.837 -1.498 1.00 0.86 H new ATOM 0 HA LYS A 90 -12.637 -12.783 -2.885 1.00 0.90 H new ATOM 0 HB2 LYS A 90 -9.862 -13.153 -1.655 1.00 0.94 H new ATOM 0 HB3 LYS A 90 -10.744 -14.353 -2.578 1.00 0.94 H new ATOM 0 HG2 LYS A 90 -9.641 -11.729 -3.670 1.00 1.02 H new ATOM 0 HG3 LYS A 90 -8.933 -13.314 -3.906 1.00 1.02 H new ATOM 0 HD2 LYS A 90 -10.987 -14.038 -5.128 1.00 1.15 H new ATOM 0 HD3 LYS A 90 -11.673 -12.441 -4.908 1.00 1.15 H new ATOM 0 HE2 LYS A 90 -10.702 -12.778 -7.181 1.00 1.09 H new ATOM 0 HE3 LYS A 90 -9.985 -11.427 -6.326 1.00 1.09 H new ATOM 0 HZ1 LYS A 90 -8.594 -13.320 -7.562 1.00 2.56 H new ATOM 0 HZ2 LYS A 90 -7.992 -12.404 -6.266 1.00 2.56 H new ATOM 0 HZ3 LYS A 90 -8.615 -13.959 -5.990 1.00 2.56 H new ATOM 1422 N ARG A 91 -12.646 -12.311 0.202 1.00 1.06 N ATOM 1423 CA ARG A 91 -13.358 -12.616 1.455 1.00 1.25 C ATOM 1424 C ARG A 91 -14.252 -11.421 1.845 1.00 1.38 C ATOM 1425 O ARG A 91 -13.898 -10.301 1.473 1.00 1.38 O ATOM 1426 CB ARG A 91 -12.347 -12.981 2.572 1.00 1.37 C ATOM 1427 CG ARG A 91 -11.560 -11.798 3.175 1.00 2.44 C ATOM 1428 CD ARG A 91 -10.419 -12.205 4.129 1.00 3.22 C ATOM 1429 NE ARG A 91 -10.855 -12.484 5.512 1.00 3.96 N ATOM 1430 CZ ARG A 91 -10.055 -12.940 6.480 1.00 4.87 C ATOM 1431 NH1 ARG A 91 -8.822 -13.356 6.262 1.00 5.37 N ATOM 1432 NH2 ARG A 91 -10.466 -12.961 7.726 1.00 5.85 N ATOM 0 H ARG A 91 -12.287 -11.356 0.182 1.00 1.06 H new ATOM 0 HA ARG A 91 -14.004 -13.483 1.312 1.00 1.25 H new ATOM 0 HB2 ARG A 91 -12.887 -13.482 3.376 1.00 1.37 H new ATOM 0 HB3 ARG A 91 -11.634 -13.701 2.170 1.00 1.37 H new ATOM 0 HG2 ARG A 91 -11.142 -11.205 2.362 1.00 2.44 H new ATOM 0 HG3 ARG A 91 -12.255 -11.154 3.714 1.00 2.44 H new ATOM 0 HD2 ARG A 91 -9.926 -13.091 3.730 1.00 3.22 H new ATOM 0 HD3 ARG A 91 -9.675 -11.408 4.148 1.00 3.22 H new ATOM 0 HE ARG A 91 -11.834 -12.317 5.744 1.00 3.96 H new ATOM 0 HH11 ARG A 91 -8.437 -13.339 5.317 1.00 5.37 H new ATOM 0 HH12 ARG A 91 -8.253 -13.695 7.038 1.00 5.37 H new ATOM 0 HH21 ARG A 91 -11.401 -12.628 7.960 1.00 5.85 H new ATOM 0 HH22 ARG A 91 -9.850 -13.310 8.460 1.00 5.85 H new ATOM 1446 N PRO A 92 -15.358 -11.611 2.589 1.00 1.70 N ATOM 1447 CA PRO A 92 -16.019 -10.514 3.292 1.00 1.93 C ATOM 1448 C PRO A 92 -15.106 -10.042 4.429 1.00 1.84 C ATOM 1449 O PRO A 92 -14.400 -10.862 5.018 1.00 2.01 O ATOM 1450 CB PRO A 92 -17.332 -11.099 3.812 1.00 2.39 C ATOM 1451 CG PRO A 92 -16.989 -12.572 4.045 1.00 2.40 C ATOM 1452 CD PRO A 92 -15.972 -12.884 2.945 1.00 2.01 C ATOM 0 HA PRO A 92 -16.218 -9.647 2.661 1.00 1.93 H new ATOM 0 HB2 PRO A 92 -17.655 -10.610 4.731 1.00 2.39 H new ATOM 0 HB3 PRO A 92 -18.139 -10.983 3.089 1.00 2.39 H new ATOM 0 HG2 PRO A 92 -16.568 -12.733 5.037 1.00 2.40 H new ATOM 0 HG3 PRO A 92 -17.872 -13.206 3.966 1.00 2.40 H new ATOM 0 HD2 PRO A 92 -15.223 -13.593 3.297 1.00 2.01 H new ATOM 0 HD3 PRO A 92 -16.459 -13.337 2.081 1.00 2.01 H new ATOM 1460 N LEU A 93 -15.098 -8.735 4.721 1.00 1.89 N ATOM 1461 CA LEU A 93 -14.205 -8.133 5.714 1.00 1.89 C ATOM 1462 C LEU A 93 -15.026 -7.348 6.739 1.00 1.94 C ATOM 1463 O LEU A 93 -15.661 -6.355 6.398 1.00 2.16 O ATOM 1464 CB LEU A 93 -13.151 -7.221 5.051 1.00 1.97 C ATOM 1465 CG LEU A 93 -12.352 -7.885 3.907 1.00 2.07 C ATOM 1466 CD1 LEU A 93 -12.890 -7.461 2.538 1.00 2.80 C ATOM 1467 CD2 LEU A 93 -10.865 -7.525 3.988 1.00 2.25 C ATOM 0 H LEU A 93 -15.717 -8.062 4.270 1.00 1.89 H new ATOM 0 HA LEU A 93 -13.669 -8.935 6.221 1.00 1.89 H new ATOM 0 HB2 LEU A 93 -13.651 -6.335 4.660 1.00 1.97 H new ATOM 0 HB3 LEU A 93 -12.452 -6.881 5.815 1.00 1.97 H new ATOM 0 HG LEU A 93 -12.469 -8.963 4.023 1.00 2.07 H new ATOM 0 HD11 LEU A 93 -12.308 -7.944 1.753 1.00 2.80 H new ATOM 0 HD12 LEU A 93 -13.935 -7.758 2.450 1.00 2.80 H new ATOM 0 HD13 LEU A 93 -12.810 -6.379 2.435 1.00 2.80 H new ATOM 0 HD21 LEU A 93 -10.329 -8.007 3.170 1.00 2.25 H new ATOM 0 HD22 LEU A 93 -10.748 -6.444 3.912 1.00 2.25 H new ATOM 0 HD23 LEU A 93 -10.459 -7.868 4.940 1.00 2.25 H new ATOM 1479 N LYS A 94 -14.986 -7.763 8.002 1.00 1.91 N ATOM 1480 CA LYS A 94 -15.752 -7.120 9.097 1.00 2.03 C ATOM 1481 C LYS A 94 -14.971 -6.149 9.990 1.00 2.11 C ATOM 1482 O LYS A 94 -15.413 -5.768 11.070 1.00 3.96 O ATOM 1483 CB LYS A 94 -16.566 -8.171 9.875 1.00 2.23 C ATOM 1484 CG LYS A 94 -15.849 -9.451 10.321 1.00 2.47 C ATOM 1485 CD LYS A 94 -14.582 -9.254 11.158 1.00 3.72 C ATOM 1486 CE LYS A 94 -14.065 -10.619 11.636 1.00 5.00 C ATOM 1487 NZ LYS A 94 -12.614 -10.608 11.944 1.00 5.80 N ATOM 0 H LYS A 94 -14.423 -8.556 8.309 1.00 1.91 H new ATOM 0 HA LYS A 94 -16.451 -6.442 8.607 1.00 2.03 H new ATOM 0 HB2 LYS A 94 -16.971 -7.688 10.764 1.00 2.23 H new ATOM 0 HB3 LYS A 94 -17.414 -8.462 9.256 1.00 2.23 H new ATOM 0 HG2 LYS A 94 -16.550 -10.055 10.897 1.00 2.47 H new ATOM 0 HG3 LYS A 94 -15.588 -10.026 9.432 1.00 2.47 H new ATOM 0 HD2 LYS A 94 -13.817 -8.751 10.566 1.00 3.72 H new ATOM 0 HD3 LYS A 94 -14.795 -8.614 12.014 1.00 3.72 H new ATOM 0 HE2 LYS A 94 -14.618 -10.921 12.525 1.00 5.00 H new ATOM 0 HE3 LYS A 94 -14.263 -11.367 10.868 1.00 5.00 H new ATOM 0 HZ1 LYS A 94 -12.407 -11.325 12.668 1.00 5.80 H new ATOM 0 HZ2 LYS A 94 -12.074 -10.822 11.081 1.00 5.80 H new ATOM 0 HZ3 LYS A 94 -12.342 -9.669 12.299 1.00 5.80 H new ATOM 1501 N ALA A 95 -13.808 -5.761 9.481 1.00 1.20 N ATOM 1502 CA ALA A 95 -12.705 -5.081 10.162 1.00 1.29 C ATOM 1503 C ALA A 95 -12.154 -5.931 11.324 1.00 1.12 C ATOM 1504 O ALA A 95 -12.791 -6.866 11.799 1.00 1.31 O ATOM 1505 CB ALA A 95 -13.133 -3.671 10.581 1.00 1.58 C ATOM 0 H ALA A 95 -13.591 -5.927 8.498 1.00 1.20 H new ATOM 0 HA ALA A 95 -11.872 -4.963 9.469 1.00 1.29 H new ATOM 0 HB1 ALA A 95 -12.305 -3.175 11.087 1.00 1.58 H new ATOM 0 HB2 ALA A 95 -13.414 -3.098 9.697 1.00 1.58 H new ATOM 0 HB3 ALA A 95 -13.985 -3.735 11.258 1.00 1.58 H new ATOM 1511 N GLY A 96 -10.909 -5.681 11.726 1.00 1.10 N ATOM 1512 CA GLY A 96 -10.216 -6.567 12.676 1.00 1.26 C ATOM 1513 C GLY A 96 -10.091 -7.981 12.100 1.00 1.11 C ATOM 1514 O GLY A 96 -10.388 -8.967 12.771 1.00 1.32 O ATOM 0 H GLY A 96 -10.358 -4.881 11.415 1.00 1.10 H new ATOM 0 HA2 GLY A 96 -9.225 -6.169 12.897 1.00 1.26 H new ATOM 0 HA3 GLY A 96 -10.764 -6.599 13.618 1.00 1.26 H new ATOM 1518 N GLU A 97 -9.752 -8.049 10.813 1.00 1.03 N ATOM 1519 CA GLU A 97 -9.371 -9.265 10.092 1.00 0.89 C ATOM 1520 C GLU A 97 -7.837 -9.288 9.999 1.00 0.77 C ATOM 1521 O GLU A 97 -7.177 -8.332 10.409 1.00 0.78 O ATOM 1522 CB GLU A 97 -9.970 -9.252 8.671 1.00 0.98 C ATOM 1523 CG GLU A 97 -11.471 -8.949 8.550 1.00 1.52 C ATOM 1524 CD GLU A 97 -12.318 -10.191 8.732 1.00 1.30 C ATOM 1525 OE1 GLU A 97 -11.878 -11.150 9.398 1.00 2.41 O ATOM 1526 OE2 GLU A 97 -13.458 -10.157 8.246 1.00 1.99 O ATOM 0 H GLU A 97 -9.734 -7.221 10.217 1.00 1.03 H new ATOM 0 HA GLU A 97 -9.744 -10.145 10.615 1.00 0.89 H new ATOM 0 HB2 GLU A 97 -9.427 -8.514 8.081 1.00 0.98 H new ATOM 0 HB3 GLU A 97 -9.783 -10.224 8.216 1.00 0.98 H new ATOM 0 HG2 GLU A 97 -11.752 -8.206 9.297 1.00 1.52 H new ATOM 0 HG3 GLU A 97 -11.675 -8.512 7.573 1.00 1.52 H new ATOM 1533 N GLU A 98 -7.280 -10.321 9.377 1.00 0.79 N ATOM 1534 CA GLU A 98 -5.942 -10.431 8.864 1.00 0.78 C ATOM 1535 C GLU A 98 -6.056 -10.527 7.338 1.00 0.82 C ATOM 1536 O GLU A 98 -7.044 -10.981 6.758 1.00 1.27 O ATOM 1537 CB GLU A 98 -5.167 -11.638 9.448 1.00 1.22 C ATOM 1538 CG GLU A 98 -5.955 -12.856 9.966 1.00 2.08 C ATOM 1539 CD GLU A 98 -7.038 -13.359 9.015 1.00 3.83 C ATOM 1540 OE1 GLU A 98 -6.752 -14.128 8.078 1.00 4.75 O ATOM 1541 OE2 GLU A 98 -8.198 -12.932 9.191 1.00 5.10 O ATOM 0 H GLU A 98 -7.812 -11.175 9.210 1.00 0.79 H new ATOM 0 HA GLU A 98 -5.365 -9.556 9.163 1.00 0.78 H new ATOM 0 HB2 GLU A 98 -4.483 -11.993 8.677 1.00 1.22 H new ATOM 0 HB3 GLU A 98 -4.555 -11.268 10.271 1.00 1.22 H new ATOM 0 HG2 GLU A 98 -5.256 -13.669 10.163 1.00 2.08 H new ATOM 0 HG3 GLU A 98 -6.417 -12.596 10.918 1.00 2.08 H new ATOM 1548 N VAL A 99 -5.003 -10.032 6.723 1.00 0.64 N ATOM 1549 CA VAL A 99 -4.700 -10.016 5.286 1.00 0.70 C ATOM 1550 C VAL A 99 -3.182 -10.078 5.101 1.00 0.62 C ATOM 1551 O VAL A 99 -2.430 -9.474 5.862 1.00 0.77 O ATOM 1552 CB VAL A 99 -5.282 -8.752 4.598 1.00 0.90 C ATOM 1553 CG1 VAL A 99 -4.712 -8.549 3.182 1.00 1.24 C ATOM 1554 CG2 VAL A 99 -6.811 -8.819 4.473 1.00 1.07 C ATOM 0 H VAL A 99 -4.259 -9.585 7.258 1.00 0.64 H new ATOM 0 HA VAL A 99 -5.166 -10.882 4.816 1.00 0.70 H new ATOM 0 HB VAL A 99 -4.994 -7.918 5.238 1.00 0.90 H new ATOM 0 HG11 VAL A 99 -5.147 -7.653 2.739 1.00 1.24 H new ATOM 0 HG12 VAL A 99 -3.629 -8.436 3.238 1.00 1.24 H new ATOM 0 HG13 VAL A 99 -4.955 -9.414 2.564 1.00 1.24 H new ATOM 0 HG21 VAL A 99 -7.176 -7.915 3.986 1.00 1.07 H new ATOM 0 HG22 VAL A 99 -7.090 -9.689 3.879 1.00 1.07 H new ATOM 0 HG23 VAL A 99 -7.254 -8.901 5.466 1.00 1.07 H new ATOM 1564 N GLU A 100 -2.723 -10.783 4.066 1.00 0.76 N ATOM 1565 CA GLU A 100 -1.324 -10.726 3.624 1.00 0.80 C ATOM 1566 C GLU A 100 -1.150 -9.779 2.431 1.00 0.84 C ATOM 1567 O GLU A 100 -2.010 -9.714 1.548 1.00 0.86 O ATOM 1568 CB GLU A 100 -0.821 -12.112 3.222 1.00 1.01 C ATOM 1569 CG GLU A 100 -0.902 -13.142 4.353 1.00 1.59 C ATOM 1570 CD GLU A 100 -0.122 -14.379 3.938 1.00 1.74 C ATOM 1571 OE1 GLU A 100 -0.456 -14.996 2.904 1.00 1.77 O ATOM 1572 OE2 GLU A 100 0.935 -14.656 4.546 1.00 3.01 O ATOM 0 H GLU A 100 -3.306 -11.409 3.510 1.00 0.76 H new ATOM 0 HA GLU A 100 -0.743 -10.352 4.467 1.00 0.80 H new ATOM 0 HB2 GLU A 100 -1.404 -12.469 2.373 1.00 1.01 H new ATOM 0 HB3 GLU A 100 0.213 -12.032 2.887 1.00 1.01 H new ATOM 0 HG2 GLU A 100 -0.491 -12.727 5.273 1.00 1.59 H new ATOM 0 HG3 GLU A 100 -1.941 -13.400 4.556 1.00 1.59 H new ATOM 1579 N LEU A 101 0.005 -9.111 2.374 1.00 0.90 N ATOM 1580 CA LEU A 101 0.542 -8.485 1.163 1.00 0.89 C ATOM 1581 C LEU A 101 1.867 -9.161 0.790 1.00 0.74 C ATOM 1582 O LEU A 101 2.759 -9.318 1.623 1.00 0.82 O ATOM 1583 CB LEU A 101 0.769 -6.972 1.363 1.00 1.04 C ATOM 1584 CG LEU A 101 -0.377 -6.030 0.936 1.00 1.19 C ATOM 1585 CD1 LEU A 101 -0.514 -5.896 -0.586 1.00 2.53 C ATOM 1586 CD2 LEU A 101 -1.735 -6.332 1.581 1.00 2.30 C ATOM 0 H LEU A 101 0.607 -8.987 3.188 1.00 0.90 H new ATOM 0 HA LEU A 101 -0.184 -8.612 0.360 1.00 0.89 H new ATOM 0 HB2 LEU A 101 0.976 -6.797 2.419 1.00 1.04 H new ATOM 0 HB3 LEU A 101 1.665 -6.688 0.811 1.00 1.04 H new ATOM 0 HG LEU A 101 -0.065 -5.064 1.332 1.00 1.19 H new ATOM 0 HD11 LEU A 101 -1.337 -5.221 -0.819 1.00 2.53 H new ATOM 0 HD12 LEU A 101 0.412 -5.497 -1.001 1.00 2.53 H new ATOM 0 HD13 LEU A 101 -0.714 -6.875 -1.021 1.00 2.53 H new ATOM 0 HD21 LEU A 101 -2.476 -5.619 1.220 1.00 2.30 H new ATOM 0 HD22 LEU A 101 -2.046 -7.343 1.317 1.00 2.30 H new ATOM 0 HD23 LEU A 101 -1.650 -6.250 2.665 1.00 2.30 H new ATOM 1598 N ASP A 102 1.980 -9.487 -0.490 1.00 0.62 N ATOM 1599 CA ASP A 102 3.202 -9.808 -1.247 1.00 0.58 C ATOM 1600 C ASP A 102 3.700 -8.498 -1.887 1.00 0.57 C ATOM 1601 O ASP A 102 2.889 -7.700 -2.362 1.00 0.72 O ATOM 1602 CB ASP A 102 2.860 -10.780 -2.401 1.00 0.68 C ATOM 1603 CG ASP A 102 3.376 -12.225 -2.385 1.00 1.28 C ATOM 1604 OD1 ASP A 102 4.286 -12.548 -1.592 1.00 2.20 O ATOM 1605 OD2 ASP A 102 2.851 -12.992 -3.235 1.00 2.06 O ATOM 0 H ASP A 102 1.153 -9.541 -1.085 1.00 0.62 H new ATOM 0 HA ASP A 102 3.944 -10.257 -0.587 1.00 0.58 H new ATOM 0 HB2 ASP A 102 1.773 -10.828 -2.469 1.00 0.68 H new ATOM 0 HB3 ASP A 102 3.217 -10.322 -3.323 1.00 0.68 H new ATOM 1610 N LEU A 103 5.015 -8.290 -1.963 1.00 0.60 N ATOM 1611 CA LEU A 103 5.655 -7.132 -2.588 1.00 0.62 C ATOM 1612 C LEU A 103 6.585 -7.588 -3.721 1.00 0.61 C ATOM 1613 O LEU A 103 7.455 -8.436 -3.519 1.00 0.66 O ATOM 1614 CB LEU A 103 6.438 -6.341 -1.525 1.00 0.69 C ATOM 1615 CG LEU A 103 5.552 -5.520 -0.566 1.00 0.88 C ATOM 1616 CD1 LEU A 103 5.087 -6.322 0.658 1.00 0.89 C ATOM 1617 CD2 LEU A 103 6.341 -4.301 -0.070 1.00 1.32 C ATOM 0 H LEU A 103 5.690 -8.949 -1.576 1.00 0.60 H new ATOM 0 HA LEU A 103 4.891 -6.484 -3.017 1.00 0.62 H new ATOM 0 HB2 LEU A 103 7.039 -7.037 -0.940 1.00 0.69 H new ATOM 0 HB3 LEU A 103 7.131 -5.667 -2.028 1.00 0.69 H new ATOM 0 HG LEU A 103 4.666 -5.226 -1.128 1.00 0.88 H new ATOM 0 HD11 LEU A 103 4.468 -5.689 1.294 1.00 0.89 H new ATOM 0 HD12 LEU A 103 4.507 -7.184 0.329 1.00 0.89 H new ATOM 0 HD13 LEU A 103 5.956 -6.663 1.221 1.00 0.89 H new ATOM 0 HD21 LEU A 103 5.719 -3.717 0.608 1.00 1.32 H new ATOM 0 HD22 LEU A 103 7.236 -4.636 0.455 1.00 1.32 H new ATOM 0 HD23 LEU A 103 6.629 -3.683 -0.921 1.00 1.32 H new ATOM 1629 N LEU A 104 6.400 -7.006 -4.911 1.00 0.61 N ATOM 1630 CA LEU A 104 7.131 -7.319 -6.138 1.00 0.62 C ATOM 1631 C LEU A 104 8.194 -6.245 -6.399 1.00 0.65 C ATOM 1632 O LEU A 104 7.888 -5.061 -6.607 1.00 0.63 O ATOM 1633 CB LEU A 104 6.137 -7.425 -7.315 1.00 0.65 C ATOM 1634 CG LEU A 104 5.023 -8.483 -7.159 1.00 0.65 C ATOM 1635 CD1 LEU A 104 4.147 -8.506 -8.419 1.00 0.69 C ATOM 1636 CD2 LEU A 104 5.573 -9.894 -6.896 1.00 0.68 C ATOM 0 H LEU A 104 5.705 -6.272 -5.048 1.00 0.61 H new ATOM 0 HA LEU A 104 7.641 -8.277 -6.032 1.00 0.62 H new ATOM 0 HB2 LEU A 104 5.670 -6.451 -7.460 1.00 0.65 H new ATOM 0 HB3 LEU A 104 6.699 -7.647 -8.222 1.00 0.65 H new ATOM 0 HG LEU A 104 4.433 -8.196 -6.288 1.00 0.65 H new ATOM 0 HD11 LEU A 104 3.363 -9.254 -8.303 1.00 0.69 H new ATOM 0 HD12 LEU A 104 3.694 -7.525 -8.565 1.00 0.69 H new ATOM 0 HD13 LEU A 104 4.761 -8.755 -9.285 1.00 0.69 H new ATOM 0 HD21 LEU A 104 4.744 -10.595 -6.795 1.00 0.68 H new ATOM 0 HD22 LEU A 104 6.206 -10.199 -7.729 1.00 0.68 H new ATOM 0 HD23 LEU A 104 6.159 -9.891 -5.977 1.00 0.68 H new ATOM 1648 N PHE A 105 9.457 -6.664 -6.390 1.00 0.73 N ATOM 1649 CA PHE A 105 10.612 -5.799 -6.586 1.00 0.81 C ATOM 1650 C PHE A 105 11.255 -6.030 -7.962 1.00 0.88 C ATOM 1651 O PHE A 105 11.194 -7.125 -8.528 1.00 1.12 O ATOM 1652 CB PHE A 105 11.623 -6.061 -5.462 1.00 0.90 C ATOM 1653 CG PHE A 105 11.077 -5.776 -4.076 1.00 0.87 C ATOM 1654 CD1 PHE A 105 11.126 -4.463 -3.574 1.00 1.99 C ATOM 1655 CD2 PHE A 105 10.472 -6.791 -3.305 1.00 1.91 C ATOM 1656 CE1 PHE A 105 10.586 -4.161 -2.315 1.00 1.95 C ATOM 1657 CE2 PHE A 105 9.911 -6.481 -2.054 1.00 1.96 C ATOM 1658 CZ PHE A 105 9.973 -5.170 -1.554 1.00 0.92 C ATOM 0 H PHE A 105 9.710 -7.641 -6.242 1.00 0.73 H new ATOM 0 HA PHE A 105 10.289 -4.759 -6.554 1.00 0.81 H new ATOM 0 HB2 PHE A 105 11.945 -7.101 -5.510 1.00 0.90 H new ATOM 0 HB3 PHE A 105 12.507 -5.445 -5.629 1.00 0.90 H new ATOM 0 HD1 PHE A 105 11.583 -3.681 -4.162 1.00 1.99 H new ATOM 0 HD2 PHE A 105 10.440 -7.805 -3.676 1.00 1.91 H new ATOM 0 HE1 PHE A 105 10.642 -3.153 -1.931 1.00 1.95 H new ATOM 0 HE2 PHE A 105 9.430 -7.255 -1.474 1.00 1.96 H new ATOM 0 HZ PHE A 105 9.551 -4.938 -0.587 1.00 0.92 H new ATOM 1668 N ALA A 106 11.953 -5.008 -8.465 1.00 0.82 N ATOM 1669 CA ALA A 106 12.907 -5.181 -9.559 1.00 0.89 C ATOM 1670 C ALA A 106 13.981 -6.227 -9.178 1.00 1.36 C ATOM 1671 O ALA A 106 14.347 -6.347 -8.007 1.00 1.88 O ATOM 1672 CB ALA A 106 13.517 -3.820 -9.911 1.00 1.14 C ATOM 0 H ALA A 106 11.873 -4.048 -8.129 1.00 0.82 H new ATOM 0 HA ALA A 106 12.398 -5.563 -10.444 1.00 0.89 H new ATOM 0 HB1 ALA A 106 14.230 -3.941 -10.727 1.00 1.14 H new ATOM 0 HB2 ALA A 106 12.726 -3.136 -10.219 1.00 1.14 H new ATOM 0 HB3 ALA A 106 14.029 -3.414 -9.039 1.00 1.14 H new ATOM 1678 N GLY A 107 14.466 -6.987 -10.168 1.00 2.23 N ATOM 1679 CA GLY A 107 15.390 -8.118 -9.960 1.00 2.97 C ATOM 1680 C GLY A 107 14.702 -9.476 -9.754 1.00 2.33 C ATOM 1681 O GLY A 107 15.380 -10.446 -9.434 1.00 3.14 O ATOM 0 H GLY A 107 14.228 -6.835 -11.148 1.00 2.23 H new ATOM 0 HA2 GLY A 107 16.055 -8.189 -10.820 1.00 2.97 H new ATOM 0 HA3 GLY A 107 16.013 -7.906 -9.091 1.00 2.97 H new ATOM 1685 N GLY A 108 13.375 -9.563 -9.928 1.00 1.32 N ATOM 1686 CA GLY A 108 12.612 -10.821 -9.847 1.00 1.41 C ATOM 1687 C GLY A 108 12.316 -11.283 -8.419 1.00 1.42 C ATOM 1688 O GLY A 108 11.782 -12.369 -8.207 1.00 2.19 O ATOM 0 H GLY A 108 12.792 -8.751 -10.132 1.00 1.32 H new ATOM 0 HA2 GLY A 108 11.669 -10.696 -10.379 1.00 1.41 H new ATOM 0 HA3 GLY A 108 13.168 -11.604 -10.363 1.00 1.41 H new ATOM 1692 N LYS A 109 12.646 -10.466 -7.417 1.00 0.96 N ATOM 1693 CA LYS A 109 12.430 -10.752 -6.015 1.00 0.91 C ATOM 1694 C LYS A 109 10.975 -10.493 -5.604 1.00 0.85 C ATOM 1695 O LYS A 109 10.439 -9.409 -5.823 1.00 0.82 O ATOM 1696 CB LYS A 109 13.372 -9.856 -5.212 1.00 0.90 C ATOM 1697 CG LYS A 109 13.582 -10.378 -3.800 1.00 1.97 C ATOM 1698 CD LYS A 109 14.432 -9.391 -2.988 1.00 2.70 C ATOM 1699 CE LYS A 109 14.564 -9.845 -1.529 1.00 4.81 C ATOM 1700 NZ LYS A 109 13.267 -9.771 -0.810 1.00 6.85 N ATOM 0 H LYS A 109 13.085 -9.559 -7.574 1.00 0.96 H new ATOM 0 HA LYS A 109 12.632 -11.805 -5.821 1.00 0.91 H new ATOM 0 HB2 LYS A 109 14.333 -9.790 -5.722 1.00 0.90 H new ATOM 0 HB3 LYS A 109 12.964 -8.846 -5.169 1.00 0.90 H new ATOM 0 HG2 LYS A 109 12.618 -10.525 -3.312 1.00 1.97 H new ATOM 0 HG3 LYS A 109 14.074 -11.350 -3.834 1.00 1.97 H new ATOM 0 HD2 LYS A 109 15.422 -9.305 -3.436 1.00 2.70 H new ATOM 0 HD3 LYS A 109 13.978 -8.401 -3.024 1.00 2.70 H new ATOM 0 HE2 LYS A 109 14.939 -10.868 -1.499 1.00 4.81 H new ATOM 0 HE3 LYS A 109 15.299 -9.222 -1.019 1.00 4.81 H new ATOM 0 HZ1 LYS A 109 13.431 -9.870 0.212 1.00 6.85 H new ATOM 0 HZ2 LYS A 109 12.816 -8.854 -1.001 1.00 6.85 H new ATOM 0 HZ3 LYS A 109 12.645 -10.538 -1.137 1.00 6.85 H new ATOM 1714 N VAL A 110 10.420 -11.455 -4.883 1.00 0.92 N ATOM 1715 CA VAL A 110 9.166 -11.357 -4.122 1.00 0.81 C ATOM 1716 C VAL A 110 9.462 -11.456 -2.618 1.00 0.83 C ATOM 1717 O VAL A 110 10.478 -12.040 -2.224 1.00 0.97 O ATOM 1718 CB VAL A 110 8.138 -12.413 -4.601 1.00 0.82 C ATOM 1719 CG1 VAL A 110 8.653 -13.852 -4.420 1.00 2.00 C ATOM 1720 CG2 VAL A 110 6.765 -12.255 -3.931 1.00 1.86 C ATOM 0 H VAL A 110 10.848 -12.377 -4.803 1.00 0.92 H new ATOM 0 HA VAL A 110 8.708 -10.385 -4.304 1.00 0.81 H new ATOM 0 HB VAL A 110 8.009 -12.227 -5.667 1.00 0.82 H new ATOM 0 HG11 VAL A 110 7.898 -14.556 -4.770 1.00 2.00 H new ATOM 0 HG12 VAL A 110 9.568 -13.986 -4.996 1.00 2.00 H new ATOM 0 HG13 VAL A 110 8.858 -14.035 -3.365 1.00 2.00 H new ATOM 0 HG21 VAL A 110 6.087 -13.022 -4.306 1.00 1.86 H new ATOM 0 HG22 VAL A 110 6.872 -12.362 -2.852 1.00 1.86 H new ATOM 0 HG23 VAL A 110 6.360 -11.269 -4.160 1.00 1.86 H new ATOM 1730 N LEU A 111 8.623 -10.833 -1.786 1.00 0.77 N ATOM 1731 CA LEU A 111 8.650 -10.911 -0.321 1.00 0.81 C ATOM 1732 C LEU A 111 7.282 -10.522 0.235 1.00 0.82 C ATOM 1733 O LEU A 111 6.750 -9.502 -0.177 1.00 1.12 O ATOM 1734 CB LEU A 111 9.784 -10.000 0.182 1.00 1.04 C ATOM 1735 CG LEU A 111 9.836 -9.703 1.698 1.00 1.06 C ATOM 1736 CD1 LEU A 111 11.303 -9.477 2.095 1.00 2.06 C ATOM 1737 CD2 LEU A 111 9.045 -8.437 2.073 1.00 1.96 C ATOM 0 H LEU A 111 7.873 -10.234 -2.129 1.00 0.77 H new ATOM 0 HA LEU A 111 8.850 -11.925 0.026 1.00 0.81 H new ATOM 0 HB2 LEU A 111 10.733 -10.453 -0.106 1.00 1.04 H new ATOM 0 HB3 LEU A 111 9.712 -9.049 -0.346 1.00 1.04 H new ATOM 0 HG LEU A 111 9.392 -10.551 2.220 1.00 1.06 H new ATOM 0 HD11 LEU A 111 11.363 -9.265 3.163 1.00 2.06 H new ATOM 0 HD12 LEU A 111 11.883 -10.372 1.869 1.00 2.06 H new ATOM 0 HD13 LEU A 111 11.706 -8.633 1.535 1.00 2.06 H new ATOM 0 HD21 LEU A 111 9.112 -8.271 3.148 1.00 1.96 H new ATOM 0 HD22 LEU A 111 9.462 -7.578 1.547 1.00 1.96 H new ATOM 0 HD23 LEU A 111 8.000 -8.564 1.790 1.00 1.96 H new ATOM 1749 N LYS A 112 6.746 -11.269 1.202 1.00 0.85 N ATOM 1750 CA LYS A 112 5.468 -10.935 1.849 1.00 1.03 C ATOM 1751 C LYS A 112 5.610 -10.318 3.250 1.00 1.17 C ATOM 1752 O LYS A 112 6.629 -10.480 3.920 1.00 1.47 O ATOM 1753 CB LYS A 112 4.526 -12.155 1.879 1.00 1.27 C ATOM 1754 CG LYS A 112 5.117 -13.403 2.556 1.00 1.81 C ATOM 1755 CD LYS A 112 4.043 -14.421 2.972 1.00 2.12 C ATOM 1756 CE LYS A 112 3.069 -14.790 1.842 1.00 1.41 C ATOM 1757 NZ LYS A 112 2.065 -15.768 2.323 1.00 1.85 N ATOM 0 H LYS A 112 7.180 -12.120 1.560 1.00 0.85 H new ATOM 0 HA LYS A 112 5.026 -10.155 1.229 1.00 1.03 H new ATOM 0 HB2 LYS A 112 3.609 -11.877 2.397 1.00 1.27 H new ATOM 0 HB3 LYS A 112 4.249 -12.409 0.856 1.00 1.27 H new ATOM 0 HG2 LYS A 112 5.820 -13.882 1.874 1.00 1.81 H new ATOM 0 HG3 LYS A 112 5.683 -13.099 3.436 1.00 1.81 H new ATOM 0 HD2 LYS A 112 4.533 -15.327 3.328 1.00 2.12 H new ATOM 0 HD3 LYS A 112 3.476 -14.015 3.810 1.00 2.12 H new ATOM 0 HE2 LYS A 112 2.567 -13.893 1.479 1.00 1.41 H new ATOM 0 HE3 LYS A 112 3.621 -15.210 1.001 1.00 1.41 H new ATOM 0 HZ1 LYS A 112 1.117 -15.474 2.011 1.00 1.85 H new ATOM 0 HZ2 LYS A 112 2.282 -16.708 1.934 1.00 1.85 H new ATOM 0 HZ3 LYS A 112 2.090 -15.809 3.362 1.00 1.85 H new ATOM 1771 N VAL A 113 4.523 -9.693 3.697 1.00 0.99 N ATOM 1772 CA VAL A 113 4.232 -9.208 5.053 1.00 1.00 C ATOM 1773 C VAL A 113 2.803 -9.613 5.436 1.00 0.88 C ATOM 1774 O VAL A 113 1.924 -9.656 4.575 1.00 0.95 O ATOM 1775 CB VAL A 113 4.380 -7.668 5.154 1.00 1.09 C ATOM 1776 CG1 VAL A 113 5.860 -7.260 5.147 1.00 1.97 C ATOM 1777 CG2 VAL A 113 3.633 -6.901 4.052 1.00 2.07 C ATOM 0 H VAL A 113 3.749 -9.493 3.064 1.00 0.99 H new ATOM 0 HA VAL A 113 4.951 -9.658 5.738 1.00 1.00 H new ATOM 0 HB VAL A 113 3.919 -7.393 6.103 1.00 1.09 H new ATOM 0 HG11 VAL A 113 5.939 -6.175 5.219 1.00 1.97 H new ATOM 0 HG12 VAL A 113 6.368 -7.718 5.996 1.00 1.97 H new ATOM 0 HG13 VAL A 113 6.326 -7.597 4.221 1.00 1.97 H new ATOM 0 HG21 VAL A 113 3.783 -5.830 4.188 1.00 2.07 H new ATOM 0 HG22 VAL A 113 4.017 -7.200 3.077 1.00 2.07 H new ATOM 0 HG23 VAL A 113 2.568 -7.128 4.108 1.00 2.07 H new ATOM 1787 N VAL A 114 2.569 -9.905 6.719 1.00 0.93 N ATOM 1788 CA VAL A 114 1.244 -10.240 7.282 1.00 0.95 C ATOM 1789 C VAL A 114 0.760 -9.088 8.168 1.00 0.99 C ATOM 1790 O VAL A 114 1.558 -8.500 8.897 1.00 1.17 O ATOM 1791 CB VAL A 114 1.261 -11.588 8.048 1.00 1.22 C ATOM 1792 CG1 VAL A 114 2.214 -11.596 9.259 1.00 3.04 C ATOM 1793 CG2 VAL A 114 -0.152 -11.999 8.493 1.00 1.76 C ATOM 0 H VAL A 114 3.311 -9.917 7.419 1.00 0.93 H new ATOM 0 HA VAL A 114 0.541 -10.370 6.460 1.00 0.95 H new ATOM 0 HB VAL A 114 1.643 -12.319 7.336 1.00 1.22 H new ATOM 0 HG11 VAL A 114 2.174 -12.570 9.747 1.00 3.04 H new ATOM 0 HG12 VAL A 114 3.232 -11.400 8.922 1.00 3.04 H new ATOM 0 HG13 VAL A 114 1.911 -10.824 9.966 1.00 3.04 H new ATOM 0 HG21 VAL A 114 -0.104 -12.948 9.027 1.00 1.76 H new ATOM 0 HG22 VAL A 114 -0.563 -11.233 9.151 1.00 1.76 H new ATOM 0 HG23 VAL A 114 -0.792 -12.107 7.617 1.00 1.76 H new ATOM 1803 N LEU A 115 -0.528 -8.740 8.078 1.00 0.96 N ATOM 1804 CA LEU A 115 -1.079 -7.517 8.660 1.00 1.03 C ATOM 1805 C LEU A 115 -2.590 -7.611 8.943 1.00 0.84 C ATOM 1806 O LEU A 115 -3.300 -8.395 8.302 1.00 0.95 O ATOM 1807 CB LEU A 115 -0.732 -6.276 7.811 1.00 1.32 C ATOM 1808 CG LEU A 115 -1.082 -6.313 6.307 1.00 1.11 C ATOM 1809 CD1 LEU A 115 -1.082 -4.874 5.781 1.00 1.79 C ATOM 1810 CD2 LEU A 115 -0.046 -7.106 5.501 1.00 2.07 C ATOM 0 H LEU A 115 -1.223 -9.308 7.593 1.00 0.96 H new ATOM 0 HA LEU A 115 -0.597 -7.399 9.631 1.00 1.03 H new ATOM 0 HB2 LEU A 115 -1.237 -5.417 8.252 1.00 1.32 H new ATOM 0 HB3 LEU A 115 0.339 -6.097 7.902 1.00 1.32 H new ATOM 0 HG LEU A 115 -2.054 -6.794 6.194 1.00 1.11 H new ATOM 0 HD11 LEU A 115 -1.327 -4.875 4.719 1.00 1.79 H new ATOM 0 HD12 LEU A 115 -1.824 -4.288 6.324 1.00 1.79 H new ATOM 0 HD13 LEU A 115 -0.095 -4.434 5.925 1.00 1.79 H new ATOM 0 HD21 LEU A 115 -0.328 -7.108 4.448 1.00 2.07 H new ATOM 0 HD22 LEU A 115 0.934 -6.643 5.613 1.00 2.07 H new ATOM 0 HD23 LEU A 115 -0.007 -8.131 5.868 1.00 2.07 H new ATOM 1822 N PRO A 116 -3.099 -6.817 9.903 1.00 0.67 N ATOM 1823 CA PRO A 116 -4.523 -6.691 10.145 1.00 0.63 C ATOM 1824 C PRO A 116 -5.248 -5.918 9.036 1.00 0.74 C ATOM 1825 O PRO A 116 -4.648 -5.272 8.181 1.00 0.99 O ATOM 1826 CB PRO A 116 -4.647 -5.984 11.504 1.00 0.64 C ATOM 1827 CG PRO A 116 -3.373 -5.147 11.571 1.00 0.58 C ATOM 1828 CD PRO A 116 -2.357 -6.078 10.916 1.00 0.64 C ATOM 0 HA PRO A 116 -5.002 -7.670 10.151 1.00 0.63 H new ATOM 0 HB2 PRO A 116 -5.541 -5.363 11.556 1.00 0.64 H new ATOM 0 HB3 PRO A 116 -4.706 -6.697 12.326 1.00 0.64 H new ATOM 0 HG2 PRO A 116 -3.473 -4.205 11.031 1.00 0.58 H new ATOM 0 HG3 PRO A 116 -3.099 -4.899 12.597 1.00 0.58 H new ATOM 0 HD2 PRO A 116 -1.539 -5.513 10.469 1.00 0.64 H new ATOM 0 HD3 PRO A 116 -1.915 -6.753 11.649 1.00 0.64 H new ATOM 1836 N VAL A 117 -6.575 -5.960 9.109 1.00 0.69 N ATOM 1837 CA VAL A 117 -7.495 -5.010 8.468 1.00 0.76 C ATOM 1838 C VAL A 117 -8.047 -4.065 9.539 1.00 0.86 C ATOM 1839 O VAL A 117 -8.545 -4.540 10.558 1.00 0.91 O ATOM 1840 CB VAL A 117 -8.663 -5.745 7.785 1.00 0.74 C ATOM 1841 CG1 VAL A 117 -9.761 -4.823 7.225 1.00 0.77 C ATOM 1842 CG2 VAL A 117 -8.156 -6.631 6.648 1.00 0.79 C ATOM 0 H VAL A 117 -7.064 -6.684 9.636 1.00 0.69 H new ATOM 0 HA VAL A 117 -6.952 -4.452 7.706 1.00 0.76 H new ATOM 0 HB VAL A 117 -9.114 -6.339 8.580 1.00 0.74 H new ATOM 0 HG11 VAL A 117 -10.542 -5.427 6.763 1.00 0.77 H new ATOM 0 HG12 VAL A 117 -10.190 -4.234 8.036 1.00 0.77 H new ATOM 0 HG13 VAL A 117 -9.330 -4.155 6.480 1.00 0.77 H new ATOM 0 HG21 VAL A 117 -8.999 -7.140 6.180 1.00 0.79 H new ATOM 0 HG22 VAL A 117 -7.647 -6.015 5.906 1.00 0.79 H new ATOM 0 HG23 VAL A 117 -7.460 -7.370 7.045 1.00 0.79 H new ATOM 1852 N GLU A 118 -8.016 -2.752 9.290 1.00 0.95 N ATOM 1853 CA GLU A 118 -8.501 -1.730 10.228 1.00 0.99 C ATOM 1854 C GLU A 118 -9.373 -0.665 9.541 1.00 1.08 C ATOM 1855 O GLU A 118 -9.646 -0.732 8.341 1.00 1.14 O ATOM 1856 CB GLU A 118 -7.340 -1.127 11.040 1.00 1.18 C ATOM 1857 CG GLU A 118 -6.692 -2.177 11.954 1.00 2.09 C ATOM 1858 CD GLU A 118 -5.821 -1.511 13.011 1.00 3.32 C ATOM 1859 OE1 GLU A 118 -6.422 -0.813 13.858 1.00 3.65 O ATOM 1860 OE2 GLU A 118 -4.588 -1.703 12.946 1.00 4.61 O ATOM 0 H GLU A 118 -7.649 -2.363 8.421 1.00 0.95 H new ATOM 0 HA GLU A 118 -9.161 -2.226 10.940 1.00 0.99 H new ATOM 0 HB2 GLU A 118 -6.590 -0.722 10.360 1.00 1.18 H new ATOM 0 HB3 GLU A 118 -7.708 -0.296 11.642 1.00 1.18 H new ATOM 0 HG2 GLU A 118 -7.467 -2.773 12.437 1.00 2.09 H new ATOM 0 HG3 GLU A 118 -6.089 -2.862 11.358 1.00 2.09 H new ATOM 1867 N ALA A 119 -9.943 0.244 10.340 1.00 1.38 N ATOM 1868 CA ALA A 119 -11.281 0.796 10.105 1.00 1.32 C ATOM 1869 C ALA A 119 -11.343 2.137 9.336 1.00 1.62 C ATOM 1870 O ALA A 119 -11.997 3.078 9.790 1.00 2.46 O ATOM 1871 CB ALA A 119 -12.000 0.838 11.463 1.00 1.98 C ATOM 0 H ALA A 119 -9.487 0.619 11.172 1.00 1.38 H new ATOM 0 HA ALA A 119 -11.797 0.136 9.408 1.00 1.32 H new ATOM 0 HB1 ALA A 119 -13.003 1.244 11.331 1.00 1.98 H new ATOM 0 HB2 ALA A 119 -12.068 -0.171 11.870 1.00 1.98 H new ATOM 0 HB3 ALA A 119 -11.440 1.471 12.152 1.00 1.98 H new ATOM 1877 N ARG A 120 -10.768 2.143 8.122 1.00 2.03 N ATOM 1878 CA ARG A 120 -10.918 3.064 6.961 1.00 2.96 C ATOM 1879 C ARG A 120 -9.649 3.848 6.602 1.00 3.31 C ATOM 1880 O ARG A 120 -9.763 4.713 5.701 1.00 3.92 O ATOM 1881 CB ARG A 120 -12.157 3.973 7.013 1.00 3.87 C ATOM 1882 CG ARG A 120 -13.462 3.170 6.969 1.00 5.45 C ATOM 1883 CD ARG A 120 -14.657 4.091 7.184 1.00 6.84 C ATOM 1884 NE ARG A 120 -14.914 4.964 6.017 1.00 7.78 N ATOM 1885 CZ ARG A 120 -14.490 6.200 5.825 1.00 8.02 C ATOM 1886 NH1 ARG A 120 -13.757 6.829 6.698 1.00 7.42 N ATOM 1887 NH2 ARG A 120 -14.788 6.828 4.721 1.00 9.37 N ATOM 1888 OXT ARG A 120 -8.545 3.437 7.003 1.00 4.19 O ATOM 0 H ARG A 120 -10.098 1.409 7.893 1.00 2.03 H new ATOM 0 HA ARG A 120 -11.092 2.374 6.135 1.00 2.96 H new ATOM 0 HB2 ARG A 120 -12.130 4.571 7.924 1.00 3.87 H new ATOM 0 HB3 ARG A 120 -12.131 4.669 6.174 1.00 3.87 H new ATOM 0 HG2 ARG A 120 -13.553 2.663 6.008 1.00 5.45 H new ATOM 0 HG3 ARG A 120 -13.447 2.397 7.737 1.00 5.45 H new ATOM 0 HD2 ARG A 120 -15.543 3.490 7.387 1.00 6.84 H new ATOM 0 HD3 ARG A 120 -14.482 4.709 8.065 1.00 6.84 H new ATOM 0 HE ARG A 120 -15.486 4.564 5.273 1.00 7.78 H new ATOM 0 HH11 ARG A 120 -13.490 6.367 7.567 1.00 7.42 H new ATOM 0 HH12 ARG A 120 -13.449 7.784 6.512 1.00 7.42 H new ATOM 0 HH21 ARG A 120 -15.349 6.364 4.006 1.00 9.37 H new ATOM 0 HH22 ARG A 120 -14.460 7.783 4.573 1.00 9.37 H new