USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=17 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 48 THR OG1 : rot 153:sc= -0.0179 USER MOD Set 1.2: A 83 HIS : no HD1:sc= -0.0393 X(o=-0.18,f=-0.41) USER MOD Set 1.3: A 85 MET CE :methyl -158:sc= -0.118 (180deg=-0.205) USER MOD Single : A 11 SER OG : rot 109:sc= 1.17 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 19 TYR OH : rot 180:sc=-0.00292 USER MOD Single : A 21 THR OG1 : rot 173:sc= 0.877 USER MOD Single : A 24 ASN : amide:sc= -0.112 K(o=-0.11,f=-3.6) USER MOD Single : A 37 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 46 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-0.43) USER MOD Single : A 50 MET CE :methyl -177:sc= 0 (180deg=-0.0152) USER MOD Single : A 56 LYS NZ :NH3+ 158:sc= 0.378 (180deg=-0.334) USER MOD Single : A 57 LYS NZ :NH3+ 131:sc= 0.431 (180deg=-0.283!) USER MOD Single : A 59 MET CE :methyl 175:sc= 0 (180deg=-0.0066) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 137:sc= 0.508 (180deg=-0.216!) USER MOD Single : A 78 LYS NZ :NH3+ 157:sc= 0.928 (180deg=0.489) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= 1.95 (180deg=1.83) USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= 1.52 (180deg=1.14) USER MOD Single : A 109 LYS NZ :NH3+ -177:sc= 0.745 (180deg=0.736) USER MOD Single : A 112 LYS NZ :NH3+ 148:sc= 0.337! (180deg=-0.185!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 12.641 -3.941 -1.469 1.00 1.96 N ATOM 56 CA GLU A 5 11.282 -4.315 -1.834 1.00 1.06 C ATOM 57 C GLU A 5 10.242 -3.768 -0.829 1.00 0.89 C ATOM 58 O GLU A 5 10.475 -2.746 -0.182 1.00 1.43 O ATOM 59 CB GLU A 5 11.208 -5.843 -2.005 1.00 2.58 C ATOM 60 CG GLU A 5 11.322 -6.648 -0.702 1.00 3.73 C ATOM 61 CD GLU A 5 12.773 -6.964 -0.322 1.00 4.26 C ATOM 62 OE1 GLU A 5 13.477 -6.012 0.087 1.00 4.54 O ATOM 63 OE2 GLU A 5 13.166 -8.138 -0.465 1.00 5.23 O ATOM 0 HA GLU A 5 11.025 -3.854 -2.788 1.00 1.06 H new ATOM 0 HB2 GLU A 5 10.264 -6.094 -2.488 1.00 2.58 H new ATOM 0 HB3 GLU A 5 12.005 -6.157 -2.679 1.00 2.58 H new ATOM 0 HG2 GLU A 5 10.853 -6.088 0.107 1.00 3.73 H new ATOM 0 HG3 GLU A 5 10.768 -7.581 -0.807 1.00 3.73 H new ATOM 70 N GLY A 6 9.061 -4.399 -0.776 1.00 0.85 N ATOM 71 CA GLY A 6 7.881 -4.067 0.033 1.00 0.85 C ATOM 72 C GLY A 6 7.449 -5.248 0.900 1.00 0.85 C ATOM 73 O GLY A 6 7.674 -6.386 0.497 1.00 1.21 O ATOM 0 H GLY A 6 8.893 -5.227 -1.348 1.00 0.85 H new ATOM 0 HA2 GLY A 6 8.103 -3.210 0.668 1.00 0.85 H new ATOM 0 HA3 GLY A 6 7.060 -3.775 -0.621 1.00 0.85 H new ATOM 77 N TRP A 7 6.779 -5.003 2.035 1.00 0.77 N ATOM 78 CA TRP A 7 6.351 -6.055 2.974 1.00 0.72 C ATOM 79 C TRP A 7 4.902 -5.898 3.462 1.00 0.65 C ATOM 80 O TRP A 7 4.515 -4.843 3.960 1.00 0.83 O ATOM 81 CB TRP A 7 7.296 -6.102 4.191 1.00 0.80 C ATOM 82 CG TRP A 7 7.309 -4.916 5.115 1.00 0.88 C ATOM 83 CD1 TRP A 7 6.737 -4.893 6.340 1.00 0.94 C ATOM 84 CD2 TRP A 7 7.878 -3.582 4.926 1.00 0.98 C ATOM 85 NE1 TRP A 7 6.930 -3.667 6.933 1.00 1.04 N ATOM 86 CE2 TRP A 7 7.562 -2.792 6.073 1.00 1.08 C ATOM 87 CE3 TRP A 7 8.609 -2.948 3.897 1.00 1.06 C ATOM 88 CZ2 TRP A 7 7.896 -1.431 6.162 1.00 1.25 C ATOM 89 CZ3 TRP A 7 8.965 -1.588 3.983 1.00 1.24 C ATOM 90 CH2 TRP A 7 8.599 -0.824 5.107 1.00 1.34 C ATOM 0 H TRP A 7 6.516 -4.063 2.331 1.00 0.77 H new ATOM 0 HA TRP A 7 6.398 -6.990 2.415 1.00 0.72 H new ATOM 0 HB2 TRP A 7 7.040 -6.983 4.780 1.00 0.80 H new ATOM 0 HB3 TRP A 7 8.311 -6.250 3.822 1.00 0.80 H new ATOM 0 HD1 TRP A 7 6.205 -5.719 6.789 1.00 0.94 H new ATOM 0 HE1 TRP A 7 6.643 -3.435 7.884 1.00 1.04 H new ATOM 0 HE3 TRP A 7 8.901 -3.517 3.027 1.00 1.06 H new ATOM 0 HZ2 TRP A 7 7.616 -0.856 7.032 1.00 1.25 H new ATOM 0 HZ3 TRP A 7 9.523 -1.128 3.181 1.00 1.24 H new ATOM 0 HH2 TRP A 7 8.857 0.223 5.159 1.00 1.34 H new ATOM 101 N VAL A 8 4.108 -6.969 3.404 1.00 0.84 N ATOM 102 CA VAL A 8 2.719 -6.951 3.904 1.00 0.91 C ATOM 103 C VAL A 8 2.705 -7.301 5.396 1.00 0.95 C ATOM 104 O VAL A 8 3.251 -8.325 5.807 1.00 1.08 O ATOM 105 CB VAL A 8 1.781 -7.860 3.078 1.00 1.08 C ATOM 106 CG1 VAL A 8 0.353 -7.822 3.657 1.00 1.21 C ATOM 107 CG2 VAL A 8 1.746 -7.386 1.612 1.00 1.15 C ATOM 0 H VAL A 8 4.399 -7.866 3.015 1.00 0.84 H new ATOM 0 HA VAL A 8 2.324 -5.943 3.782 1.00 0.91 H new ATOM 0 HB VAL A 8 2.161 -8.881 3.124 1.00 1.08 H new ATOM 0 HG11 VAL A 8 -0.297 -8.467 3.065 1.00 1.21 H new ATOM 0 HG12 VAL A 8 0.369 -8.172 4.689 1.00 1.21 H new ATOM 0 HG13 VAL A 8 -0.025 -6.800 3.627 1.00 1.21 H new ATOM 0 HG21 VAL A 8 1.083 -8.032 1.037 1.00 1.15 H new ATOM 0 HG22 VAL A 8 1.380 -6.360 1.570 1.00 1.15 H new ATOM 0 HG23 VAL A 8 2.751 -7.430 1.191 1.00 1.15 H new ATOM 117 N ARG A 9 2.096 -6.425 6.205 1.00 0.93 N ATOM 118 CA ARG A 9 2.099 -6.528 7.667 1.00 0.97 C ATOM 119 C ARG A 9 1.239 -7.692 8.189 1.00 1.24 C ATOM 120 O ARG A 9 0.008 -7.625 8.153 1.00 1.85 O ATOM 121 CB ARG A 9 1.615 -5.199 8.269 1.00 0.98 C ATOM 122 CG ARG A 9 1.875 -5.105 9.781 1.00 1.20 C ATOM 123 CD ARG A 9 1.206 -3.864 10.379 1.00 1.73 C ATOM 124 NE ARG A 9 1.658 -3.637 11.759 1.00 2.17 N ATOM 125 CZ ARG A 9 1.275 -2.698 12.611 1.00 2.88 C ATOM 126 NH1 ARG A 9 0.402 -1.769 12.286 1.00 3.68 N ATOM 127 NH2 ARG A 9 1.787 -2.683 13.816 1.00 3.69 N ATOM 0 H ARG A 9 1.582 -5.616 5.857 1.00 0.93 H new ATOM 0 HA ARG A 9 3.123 -6.736 7.979 1.00 0.97 H new ATOM 0 HB2 ARG A 9 2.117 -4.372 7.766 1.00 0.98 H new ATOM 0 HB3 ARG A 9 0.547 -5.086 8.080 1.00 0.98 H new ATOM 0 HG2 ARG A 9 1.496 -6.000 10.275 1.00 1.20 H new ATOM 0 HG3 ARG A 9 2.948 -5.069 9.967 1.00 1.20 H new ATOM 0 HD2 ARG A 9 1.438 -2.991 9.768 1.00 1.73 H new ATOM 0 HD3 ARG A 9 0.123 -3.986 10.362 1.00 1.73 H new ATOM 0 HE ARG A 9 2.360 -4.290 12.107 1.00 2.17 H new ATOM 0 HH11 ARG A 9 -0.004 -1.756 11.350 1.00 3.68 H new ATOM 0 HH12 ARG A 9 0.131 -1.062 12.970 1.00 3.68 H new ATOM 0 HH21 ARG A 9 2.472 -3.389 14.088 1.00 3.69 H new ATOM 0 HH22 ARG A 9 1.501 -1.966 14.483 1.00 3.69 H new ATOM 141 N PHE A 10 1.903 -8.671 8.808 1.00 1.15 N ATOM 142 CA PHE A 10 1.319 -9.477 9.875 1.00 1.13 C ATOM 143 C PHE A 10 1.423 -8.737 11.219 1.00 1.26 C ATOM 144 O PHE A 10 2.415 -8.076 11.516 1.00 1.95 O ATOM 145 CB PHE A 10 2.007 -10.850 9.967 1.00 1.77 C ATOM 146 CG PHE A 10 1.569 -11.653 11.186 1.00 1.94 C ATOM 147 CD1 PHE A 10 0.203 -11.917 11.415 1.00 2.79 C ATOM 148 CD2 PHE A 10 2.515 -12.026 12.158 1.00 2.42 C ATOM 149 CE1 PHE A 10 -0.209 -12.537 12.608 1.00 2.91 C ATOM 150 CE2 PHE A 10 2.103 -12.651 13.347 1.00 2.54 C ATOM 151 CZ PHE A 10 0.742 -12.909 13.572 1.00 2.25 C ATOM 0 H PHE A 10 2.864 -8.925 8.580 1.00 1.15 H new ATOM 0 HA PHE A 10 0.267 -9.639 9.642 1.00 1.13 H new ATOM 0 HB2 PHE A 10 1.789 -11.421 9.065 1.00 1.77 H new ATOM 0 HB3 PHE A 10 3.087 -10.708 10.001 1.00 1.77 H new ATOM 0 HD1 PHE A 10 -0.530 -11.642 10.671 1.00 2.79 H new ATOM 0 HD2 PHE A 10 3.564 -11.831 11.989 1.00 2.42 H new ATOM 0 HE1 PHE A 10 -1.258 -12.727 12.783 1.00 2.91 H new ATOM 0 HE2 PHE A 10 2.835 -12.933 14.089 1.00 2.54 H new ATOM 0 HZ PHE A 10 0.427 -13.393 14.485 1.00 2.25 H new ATOM 161 N SER A 11 0.390 -8.904 12.038 1.00 1.29 N ATOM 162 CA SER A 11 0.207 -8.442 13.416 1.00 1.90 C ATOM 163 C SER A 11 -1.115 -9.076 13.930 1.00 2.00 C ATOM 164 O SER A 11 -1.834 -9.670 13.117 1.00 1.96 O ATOM 165 CB SER A 11 0.238 -6.902 13.467 1.00 2.59 C ATOM 166 OG SER A 11 1.187 -6.453 14.418 1.00 3.52 O ATOM 0 H SER A 11 -0.430 -9.422 11.721 1.00 1.29 H new ATOM 0 HA SER A 11 1.015 -8.758 14.076 1.00 1.90 H new ATOM 0 HB2 SER A 11 0.486 -6.505 12.483 1.00 2.59 H new ATOM 0 HB3 SER A 11 -0.750 -6.521 13.724 1.00 2.59 H new ATOM 0 HG SER A 11 1.953 -6.055 13.953 1.00 3.52 H new ATOM 172 N PRO A 12 -1.471 -9.013 15.230 1.00 2.33 N ATOM 173 CA PRO A 12 -2.596 -9.771 15.800 1.00 2.61 C ATOM 174 C PRO A 12 -3.978 -9.118 15.555 1.00 2.35 C ATOM 175 O PRO A 12 -4.857 -9.181 16.414 1.00 2.77 O ATOM 176 CB PRO A 12 -2.230 -9.913 17.286 1.00 3.18 C ATOM 177 CG PRO A 12 -1.498 -8.606 17.581 1.00 3.16 C ATOM 178 CD PRO A 12 -0.711 -8.366 16.293 1.00 2.63 C ATOM 0 HA PRO A 12 -2.722 -10.740 15.317 1.00 2.61 H new ATOM 0 HB2 PRO A 12 -3.115 -10.031 17.911 1.00 3.18 H new ATOM 0 HB3 PRO A 12 -1.596 -10.781 17.465 1.00 3.18 H new ATOM 0 HG2 PRO A 12 -2.191 -7.791 17.790 1.00 3.16 H new ATOM 0 HG3 PRO A 12 -0.841 -8.696 18.446 1.00 3.16 H new ATOM 0 HD2 PRO A 12 -0.598 -7.300 16.098 1.00 2.63 H new ATOM 0 HD3 PRO A 12 0.293 -8.785 16.365 1.00 2.63 H new ATOM 186 N GLY A 13 -4.161 -8.452 14.405 1.00 2.07 N ATOM 187 CA GLY A 13 -5.321 -7.601 14.109 1.00 2.08 C ATOM 188 C GLY A 13 -6.284 -8.178 13.058 1.00 1.67 C ATOM 189 O GLY A 13 -5.839 -8.860 12.135 1.00 1.83 O ATOM 0 H GLY A 13 -3.490 -8.492 13.638 1.00 2.07 H new ATOM 0 HA2 GLY A 13 -5.873 -7.427 15.033 1.00 2.08 H new ATOM 0 HA3 GLY A 13 -4.965 -6.631 13.763 1.00 2.08 H new ATOM 193 N PRO A 14 -7.593 -7.851 13.132 1.00 1.43 N ATOM 194 CA PRO A 14 -8.568 -8.131 12.072 1.00 1.44 C ATOM 195 C PRO A 14 -8.421 -7.167 10.880 1.00 1.06 C ATOM 196 O PRO A 14 -8.966 -7.432 9.805 1.00 1.23 O ATOM 197 CB PRO A 14 -9.931 -7.965 12.749 1.00 1.67 C ATOM 198 CG PRO A 14 -9.677 -6.851 13.762 1.00 1.49 C ATOM 199 CD PRO A 14 -8.241 -7.117 14.217 1.00 1.48 C ATOM 0 HA PRO A 14 -8.428 -9.127 11.652 1.00 1.44 H new ATOM 0 HB2 PRO A 14 -10.706 -7.691 12.034 1.00 1.67 H new ATOM 0 HB3 PRO A 14 -10.256 -8.886 13.234 1.00 1.67 H new ATOM 0 HG2 PRO A 14 -9.781 -5.864 13.311 1.00 1.49 H new ATOM 0 HG3 PRO A 14 -10.379 -6.896 14.595 1.00 1.49 H new ATOM 0 HD2 PRO A 14 -7.718 -6.182 14.420 1.00 1.48 H new ATOM 0 HD3 PRO A 14 -8.227 -7.696 15.140 1.00 1.48 H new ATOM 207 N ASN A 15 -7.691 -6.061 11.068 1.00 0.76 N ATOM 208 CA ASN A 15 -7.316 -5.081 10.055 1.00 0.61 C ATOM 209 C ASN A 15 -5.824 -4.701 10.165 1.00 0.87 C ATOM 210 O ASN A 15 -5.211 -4.835 11.230 1.00 1.12 O ATOM 211 CB ASN A 15 -8.228 -3.845 10.180 1.00 0.76 C ATOM 212 CG ASN A 15 -7.937 -2.998 11.414 1.00 1.30 C ATOM 213 OD1 ASN A 15 -7.951 -3.469 12.541 1.00 2.08 O ATOM 214 ND2 ASN A 15 -7.668 -1.716 11.241 1.00 1.86 N ATOM 0 H ASN A 15 -7.327 -5.816 11.989 1.00 0.76 H new ATOM 0 HA ASN A 15 -7.453 -5.520 9.067 1.00 0.61 H new ATOM 0 HB2 ASN A 15 -8.113 -3.227 9.289 1.00 0.76 H new ATOM 0 HB3 ASN A 15 -9.267 -4.172 10.210 1.00 0.76 H new ATOM 0 HD21 ASN A 15 -7.473 -1.123 12.047 1.00 1.86 H new ATOM 0 HD22 ASN A 15 -7.656 -1.320 10.301 1.00 1.86 H new ATOM 221 N ALA A 16 -5.244 -4.196 9.071 1.00 0.94 N ATOM 222 CA ALA A 16 -3.825 -3.835 8.973 1.00 1.22 C ATOM 223 C ALA A 16 -3.532 -2.881 7.798 1.00 1.14 C ATOM 224 O ALA A 16 -4.361 -2.684 6.916 1.00 0.91 O ATOM 225 CB ALA A 16 -2.984 -5.123 8.875 1.00 1.50 C ATOM 0 H ALA A 16 -5.760 -4.023 8.208 1.00 0.94 H new ATOM 0 HA ALA A 16 -3.551 -3.286 9.874 1.00 1.22 H new ATOM 0 HB1 ALA A 16 -1.928 -4.863 8.802 1.00 1.50 H new ATOM 0 HB2 ALA A 16 -3.147 -5.733 9.764 1.00 1.50 H new ATOM 0 HB3 ALA A 16 -3.282 -5.685 7.990 1.00 1.50 H new ATOM 231 N ALA A 17 -2.320 -2.324 7.770 1.00 1.58 N ATOM 232 CA ALA A 17 -1.746 -1.625 6.623 1.00 1.38 C ATOM 233 C ALA A 17 -0.798 -2.568 5.871 1.00 1.22 C ATOM 234 O ALA A 17 0.170 -3.052 6.460 1.00 1.71 O ATOM 235 CB ALA A 17 -0.997 -0.391 7.146 1.00 1.52 C ATOM 0 H ALA A 17 -1.691 -2.349 8.573 1.00 1.58 H new ATOM 0 HA ALA A 17 -2.525 -1.309 5.929 1.00 1.38 H new ATOM 0 HB1 ALA A 17 -0.558 0.150 6.308 1.00 1.52 H new ATOM 0 HB2 ALA A 17 -1.693 0.261 7.674 1.00 1.52 H new ATOM 0 HB3 ALA A 17 -0.207 -0.707 7.828 1.00 1.52 H new ATOM 241 N ALA A 18 -1.047 -2.802 4.581 1.00 0.90 N ATOM 242 CA ALA A 18 -0.091 -3.452 3.692 1.00 0.92 C ATOM 243 C ALA A 18 0.824 -2.392 3.067 1.00 0.75 C ATOM 244 O ALA A 18 0.358 -1.479 2.376 1.00 0.89 O ATOM 245 CB ALA A 18 -0.851 -4.282 2.651 1.00 1.10 C ATOM 0 H ALA A 18 -1.922 -2.544 4.125 1.00 0.90 H new ATOM 0 HA ALA A 18 0.550 -4.140 4.243 1.00 0.92 H new ATOM 0 HB1 ALA A 18 -0.140 -4.770 1.984 1.00 1.10 H new ATOM 0 HB2 ALA A 18 -1.452 -5.038 3.157 1.00 1.10 H new ATOM 0 HB3 ALA A 18 -1.503 -3.629 2.071 1.00 1.10 H new ATOM 251 N TYR A 19 2.125 -2.511 3.329 1.00 0.87 N ATOM 252 CA TYR A 19 3.168 -1.660 2.758 1.00 0.84 C ATOM 253 C TYR A 19 3.754 -2.354 1.526 1.00 0.99 C ATOM 254 O TYR A 19 3.958 -3.568 1.546 1.00 1.12 O ATOM 255 CB TYR A 19 4.282 -1.427 3.797 1.00 0.81 C ATOM 256 CG TYR A 19 3.829 -1.299 5.239 1.00 0.78 C ATOM 257 CD1 TYR A 19 3.099 -0.179 5.683 1.00 1.80 C ATOM 258 CD2 TYR A 19 4.147 -2.326 6.144 1.00 2.16 C ATOM 259 CE1 TYR A 19 2.730 -0.085 7.040 1.00 1.78 C ATOM 260 CE2 TYR A 19 3.834 -2.217 7.506 1.00 2.24 C ATOM 261 CZ TYR A 19 3.130 -1.080 7.965 1.00 0.91 C ATOM 262 OH TYR A 19 2.858 -0.931 9.290 1.00 1.08 O ATOM 0 H TYR A 19 2.493 -3.222 3.962 1.00 0.87 H new ATOM 0 HA TYR A 19 2.741 -0.698 2.475 1.00 0.84 H new ATOM 0 HB2 TYR A 19 4.991 -2.252 3.731 1.00 0.81 H new ATOM 0 HB3 TYR A 19 4.822 -0.520 3.525 1.00 0.81 H new ATOM 0 HD1 TYR A 19 2.824 0.602 4.989 1.00 1.80 H new ATOM 0 HD2 TYR A 19 4.642 -3.216 5.783 1.00 2.16 H new ATOM 0 HE1 TYR A 19 2.137 0.753 7.377 1.00 1.78 H new ATOM 0 HE2 TYR A 19 4.127 -2.993 8.197 1.00 2.24 H new ATOM 0 HH TYR A 19 3.201 -1.705 9.783 1.00 1.08 H new ATOM 272 N LEU A 20 4.068 -1.623 0.456 1.00 1.05 N ATOM 273 CA LEU A 20 4.656 -2.246 -0.734 1.00 1.29 C ATOM 274 C LEU A 20 5.421 -1.284 -1.623 1.00 1.32 C ATOM 275 O LEU A 20 5.180 -0.080 -1.604 1.00 1.12 O ATOM 276 CB LEU A 20 3.650 -3.137 -1.491 1.00 1.51 C ATOM 277 CG LEU A 20 2.304 -2.492 -1.887 1.00 1.83 C ATOM 278 CD1 LEU A 20 2.425 -1.686 -3.188 1.00 1.76 C ATOM 279 CD2 LEU A 20 1.251 -3.596 -2.052 1.00 2.24 C ATOM 0 H LEU A 20 3.929 -0.615 0.386 1.00 1.05 H new ATOM 0 HA LEU A 20 5.426 -2.921 -0.362 1.00 1.29 H new ATOM 0 HB2 LEU A 20 4.133 -3.498 -2.399 1.00 1.51 H new ATOM 0 HB3 LEU A 20 3.439 -4.010 -0.874 1.00 1.51 H new ATOM 0 HG LEU A 20 2.006 -1.801 -1.099 1.00 1.83 H new ATOM 0 HD11 LEU A 20 1.458 -1.247 -3.435 1.00 1.76 H new ATOM 0 HD12 LEU A 20 3.161 -0.893 -3.058 1.00 1.76 H new ATOM 0 HD13 LEU A 20 2.741 -2.345 -3.996 1.00 1.76 H new ATOM 0 HD21 LEU A 20 0.297 -3.150 -2.332 1.00 2.24 H new ATOM 0 HD22 LEU A 20 1.570 -4.289 -2.831 1.00 2.24 H new ATOM 0 HD23 LEU A 20 1.138 -4.134 -1.111 1.00 2.24 H new ATOM 291 N THR A 21 6.349 -1.852 -2.392 1.00 1.61 N ATOM 292 CA THR A 21 7.339 -1.122 -3.176 1.00 1.45 C ATOM 293 C THR A 21 7.038 -1.322 -4.643 1.00 1.28 C ATOM 294 O THR A 21 7.234 -2.402 -5.189 1.00 1.32 O ATOM 295 CB THR A 21 8.744 -1.561 -2.779 1.00 1.68 C ATOM 296 OG1 THR A 21 8.865 -1.118 -1.450 1.00 1.83 O ATOM 297 CG2 THR A 21 9.796 -0.852 -3.627 1.00 1.79 C ATOM 0 H THR A 21 6.433 -2.864 -2.488 1.00 1.61 H new ATOM 0 HA THR A 21 7.288 -0.052 -2.975 1.00 1.45 H new ATOM 0 HB THR A 21 8.891 -2.633 -2.909 1.00 1.68 H new ATOM 0 HG1 THR A 21 9.701 -1.457 -1.067 1.00 1.83 H new ATOM 0 HG21 THR A 21 10.790 -1.182 -3.325 1.00 1.79 H new ATOM 0 HG22 THR A 21 9.638 -1.092 -4.678 1.00 1.79 H new ATOM 0 HG23 THR A 21 9.713 0.225 -3.484 1.00 1.79 H new ATOM 305 N LEU A 22 6.504 -0.268 -5.246 1.00 1.34 N ATOM 306 CA LEU A 22 6.019 -0.247 -6.620 1.00 1.34 C ATOM 307 C LEU A 22 7.051 0.437 -7.508 1.00 1.24 C ATOM 308 O LEU A 22 7.686 1.410 -7.089 1.00 1.25 O ATOM 309 CB LEU A 22 4.675 0.485 -6.623 1.00 1.39 C ATOM 310 CG LEU A 22 3.729 0.073 -7.767 1.00 1.64 C ATOM 311 CD1 LEU A 22 2.378 0.678 -7.416 1.00 2.71 C ATOM 312 CD2 LEU A 22 4.134 0.533 -9.176 1.00 2.29 C ATOM 0 H LEU A 22 6.393 0.629 -4.774 1.00 1.34 H new ATOM 0 HA LEU A 22 5.874 -1.253 -7.015 1.00 1.34 H new ATOM 0 HB2 LEU A 22 4.175 0.305 -5.671 1.00 1.39 H new ATOM 0 HB3 LEU A 22 4.859 1.557 -6.688 1.00 1.39 H new ATOM 0 HG LEU A 22 3.741 -1.015 -7.831 1.00 1.64 H new ATOM 0 HD11 LEU A 22 1.654 0.424 -8.190 1.00 2.71 H new ATOM 0 HD12 LEU A 22 2.040 0.282 -6.458 1.00 2.71 H new ATOM 0 HD13 LEU A 22 2.471 1.762 -7.348 1.00 2.71 H new ATOM 0 HD21 LEU A 22 3.395 0.186 -9.898 1.00 2.29 H new ATOM 0 HD22 LEU A 22 4.184 1.622 -9.203 1.00 2.29 H new ATOM 0 HD23 LEU A 22 5.110 0.118 -9.428 1.00 2.29 H new ATOM 324 N GLU A 23 7.197 -0.040 -8.737 1.00 1.26 N ATOM 325 CA GLU A 23 8.108 0.553 -9.702 1.00 1.24 C ATOM 326 C GLU A 23 7.577 0.462 -11.119 1.00 1.25 C ATOM 327 O GLU A 23 6.971 -0.533 -11.512 1.00 1.39 O ATOM 328 CB GLU A 23 9.511 -0.044 -9.575 1.00 1.50 C ATOM 329 CG GLU A 23 9.677 -1.477 -10.082 1.00 1.68 C ATOM 330 CD GLU A 23 11.064 -1.953 -9.674 1.00 2.14 C ATOM 331 OE1 GLU A 23 12.068 -1.349 -10.105 1.00 2.27 O ATOM 332 OE2 GLU A 23 11.151 -2.796 -8.760 1.00 3.46 O ATOM 0 H GLU A 23 6.686 -0.849 -9.091 1.00 1.26 H new ATOM 0 HA GLU A 23 8.182 1.615 -9.470 1.00 1.24 H new ATOM 0 HB2 GLU A 23 10.207 0.595 -10.118 1.00 1.50 H new ATOM 0 HB3 GLU A 23 9.803 -0.015 -8.525 1.00 1.50 H new ATOM 0 HG2 GLU A 23 8.910 -2.124 -9.657 1.00 1.68 H new ATOM 0 HG3 GLU A 23 9.563 -1.515 -11.165 1.00 1.68 H new ATOM 339 N ASN A 24 7.812 1.528 -11.874 1.00 1.19 N ATOM 340 CA ASN A 24 7.390 1.643 -13.254 1.00 1.17 C ATOM 341 C ASN A 24 8.591 1.454 -14.195 1.00 1.28 C ATOM 342 O ASN A 24 9.411 2.366 -14.310 1.00 1.35 O ATOM 343 CB ASN A 24 6.753 3.025 -13.426 1.00 1.10 C ATOM 344 CG ASN A 24 6.182 3.213 -14.814 1.00 1.06 C ATOM 345 OD1 ASN A 24 6.131 2.305 -15.634 1.00 1.11 O ATOM 346 ND2 ASN A 24 5.711 4.407 -15.086 1.00 1.04 N ATOM 0 H ASN A 24 8.311 2.349 -11.533 1.00 1.19 H new ATOM 0 HA ASN A 24 6.665 0.870 -13.507 1.00 1.17 H new ATOM 0 HB2 ASN A 24 5.962 3.155 -12.687 1.00 1.10 H new ATOM 0 HB3 ASN A 24 7.499 3.796 -13.233 1.00 1.10 H new ATOM 0 HD21 ASN A 24 5.291 4.594 -15.997 1.00 1.04 H new ATOM 0 HD22 ASN A 24 5.765 5.148 -14.387 1.00 1.04 H new ATOM 353 N PRO A 25 8.713 0.311 -14.893 1.00 1.34 N ATOM 354 CA PRO A 25 9.782 0.095 -15.865 1.00 1.45 C ATOM 355 C PRO A 25 9.512 0.754 -17.227 1.00 1.40 C ATOM 356 O PRO A 25 10.432 0.838 -18.042 1.00 1.46 O ATOM 357 CB PRO A 25 9.875 -1.428 -15.994 1.00 1.55 C ATOM 358 CG PRO A 25 8.431 -1.878 -15.768 1.00 1.46 C ATOM 359 CD PRO A 25 7.929 -0.901 -14.711 1.00 1.35 C ATOM 0 HA PRO A 25 10.712 0.554 -15.530 1.00 1.45 H new ATOM 0 HB2 PRO A 25 10.243 -1.729 -16.975 1.00 1.55 H new ATOM 0 HB3 PRO A 25 10.552 -1.856 -15.254 1.00 1.55 H new ATOM 0 HG2 PRO A 25 7.842 -1.820 -16.683 1.00 1.46 H new ATOM 0 HG3 PRO A 25 8.379 -2.910 -15.421 1.00 1.46 H new ATOM 0 HD2 PRO A 25 6.865 -0.702 -14.836 1.00 1.35 H new ATOM 0 HD3 PRO A 25 8.062 -1.307 -13.708 1.00 1.35 H new ATOM 367 N GLY A 26 8.286 1.225 -17.493 1.00 1.31 N ATOM 368 CA GLY A 26 7.903 1.845 -18.761 1.00 1.25 C ATOM 369 C GLY A 26 8.328 3.308 -18.864 1.00 1.26 C ATOM 370 O GLY A 26 8.827 3.905 -17.913 1.00 1.34 O ATOM 0 H GLY A 26 7.522 1.183 -16.819 1.00 1.31 H new ATOM 0 HA2 GLY A 26 8.349 1.284 -19.582 1.00 1.25 H new ATOM 0 HA3 GLY A 26 6.822 1.778 -18.880 1.00 1.25 H new ATOM 374 N ASP A 27 8.138 3.864 -20.057 1.00 1.26 N ATOM 375 CA ASP A 27 8.486 5.243 -20.435 1.00 1.33 C ATOM 376 C ASP A 27 7.289 6.207 -20.316 1.00 1.30 C ATOM 377 O ASP A 27 7.438 7.416 -20.473 1.00 1.41 O ATOM 378 CB ASP A 27 9.069 5.210 -21.858 1.00 1.39 C ATOM 379 CG ASP A 27 10.329 4.339 -21.892 1.00 1.95 C ATOM 380 OD1 ASP A 27 10.200 3.093 -21.928 1.00 2.99 O ATOM 381 OD2 ASP A 27 11.435 4.878 -21.682 1.00 2.49 O ATOM 0 H ASP A 27 7.717 3.346 -20.828 1.00 1.26 H new ATOM 0 HA ASP A 27 9.230 5.634 -19.741 1.00 1.33 H new ATOM 0 HB2 ASP A 27 8.328 4.817 -22.554 1.00 1.39 H new ATOM 0 HB3 ASP A 27 9.308 6.222 -22.185 1.00 1.39 H new ATOM 386 N LEU A 28 6.105 5.673 -19.984 1.00 1.23 N ATOM 387 CA LEU A 28 4.865 6.400 -19.712 1.00 1.23 C ATOM 388 C LEU A 28 4.499 6.209 -18.222 1.00 1.15 C ATOM 389 O LEU A 28 4.910 5.205 -17.638 1.00 1.15 O ATOM 390 CB LEU A 28 3.716 5.900 -20.608 1.00 1.28 C ATOM 391 CG LEU A 28 3.965 5.671 -22.115 1.00 2.20 C ATOM 392 CD1 LEU A 28 4.628 6.870 -22.805 1.00 4.85 C ATOM 393 CD2 LEU A 28 4.711 4.360 -22.433 1.00 2.85 C ATOM 0 H LEU A 28 5.984 4.664 -19.894 1.00 1.23 H new ATOM 0 HA LEU A 28 5.016 7.457 -19.931 1.00 1.23 H new ATOM 0 HB2 LEU A 28 3.363 4.958 -20.189 1.00 1.28 H new ATOM 0 HB3 LEU A 28 2.898 6.615 -20.518 1.00 1.28 H new ATOM 0 HG LEU A 28 2.966 5.566 -22.538 1.00 2.20 H new ATOM 0 HD11 LEU A 28 4.776 6.646 -23.861 1.00 4.85 H new ATOM 0 HD12 LEU A 28 3.988 7.747 -22.706 1.00 4.85 H new ATOM 0 HD13 LEU A 28 5.592 7.071 -22.338 1.00 4.85 H new ATOM 0 HD21 LEU A 28 4.848 4.271 -23.511 1.00 2.85 H new ATOM 0 HD22 LEU A 28 5.685 4.367 -21.943 1.00 2.85 H new ATOM 0 HD23 LEU A 28 4.129 3.513 -22.070 1.00 2.85 H new ATOM 405 N PRO A 29 3.731 7.114 -17.585 1.00 1.17 N ATOM 406 CA PRO A 29 3.504 7.093 -16.142 1.00 1.14 C ATOM 407 C PRO A 29 2.436 6.049 -15.754 1.00 1.03 C ATOM 408 O PRO A 29 1.594 5.678 -16.573 1.00 1.05 O ATOM 409 CB PRO A 29 3.066 8.519 -15.794 1.00 1.24 C ATOM 410 CG PRO A 29 2.355 8.997 -17.061 1.00 1.29 C ATOM 411 CD PRO A 29 3.038 8.234 -18.199 1.00 1.26 C ATOM 0 HA PRO A 29 4.397 6.801 -15.589 1.00 1.14 H new ATOM 0 HB2 PRO A 29 2.400 8.534 -14.931 1.00 1.24 H new ATOM 0 HB3 PRO A 29 3.919 9.152 -15.550 1.00 1.24 H new ATOM 0 HG2 PRO A 29 1.288 8.779 -17.023 1.00 1.29 H new ATOM 0 HG3 PRO A 29 2.456 10.075 -17.190 1.00 1.29 H new ATOM 0 HD2 PRO A 29 2.306 7.885 -18.927 1.00 1.26 H new ATOM 0 HD3 PRO A 29 3.737 8.877 -18.733 1.00 1.26 H new ATOM 419 N LEU A 30 2.433 5.614 -14.484 1.00 0.95 N ATOM 420 CA LEU A 30 1.371 4.788 -13.894 1.00 0.78 C ATOM 421 C LEU A 30 0.513 5.631 -12.966 1.00 0.72 C ATOM 422 O LEU A 30 1.006 6.551 -12.325 1.00 0.88 O ATOM 423 CB LEU A 30 1.924 3.623 -13.069 1.00 0.82 C ATOM 424 CG LEU A 30 2.786 2.656 -13.875 1.00 0.90 C ATOM 425 CD1 LEU A 30 3.178 1.489 -12.976 1.00 2.06 C ATOM 426 CD2 LEU A 30 2.157 2.107 -15.160 1.00 1.64 C ATOM 0 H LEU A 30 3.183 5.831 -13.828 1.00 0.95 H new ATOM 0 HA LEU A 30 0.792 4.391 -14.728 1.00 0.78 H new ATOM 0 HB2 LEU A 30 2.515 4.022 -12.244 1.00 0.82 H new ATOM 0 HB3 LEU A 30 1.092 3.074 -12.629 1.00 0.82 H new ATOM 0 HG LEU A 30 3.643 3.241 -14.209 1.00 0.90 H new ATOM 0 HD11 LEU A 30 3.795 0.788 -13.538 1.00 2.06 H new ATOM 0 HD12 LEU A 30 3.740 1.862 -12.120 1.00 2.06 H new ATOM 0 HD13 LEU A 30 2.279 0.981 -12.626 1.00 2.06 H new ATOM 0 HD21 LEU A 30 2.859 1.432 -15.649 1.00 1.64 H new ATOM 0 HD22 LEU A 30 1.243 1.566 -14.915 1.00 1.64 H new ATOM 0 HD23 LEU A 30 1.921 2.933 -15.831 1.00 1.64 H new ATOM 438 N ARG A 31 -0.732 5.202 -12.800 1.00 0.66 N ATOM 439 CA ARG A 31 -1.686 5.731 -11.814 1.00 0.61 C ATOM 440 C ARG A 31 -2.374 4.565 -11.110 1.00 0.52 C ATOM 441 O ARG A 31 -3.130 3.839 -11.749 1.00 0.52 O ATOM 442 CB ARG A 31 -2.686 6.667 -12.509 1.00 0.68 C ATOM 443 CG ARG A 31 -3.766 7.247 -11.567 1.00 0.71 C ATOM 444 CD ARG A 31 -3.882 8.778 -11.612 1.00 1.04 C ATOM 445 NE ARG A 31 -4.186 9.279 -12.964 1.00 1.53 N ATOM 446 CZ ARG A 31 -3.621 10.319 -13.569 1.00 1.83 C ATOM 447 NH1 ARG A 31 -2.754 11.119 -12.992 1.00 2.48 N ATOM 448 NH2 ARG A 31 -3.938 10.575 -14.820 1.00 2.95 N ATOM 0 H ARG A 31 -1.126 4.450 -13.365 1.00 0.66 H new ATOM 0 HA ARG A 31 -1.168 6.320 -11.057 1.00 0.61 H new ATOM 0 HB2 ARG A 31 -2.138 7.491 -12.967 1.00 0.68 H new ATOM 0 HB3 ARG A 31 -3.177 6.123 -13.316 1.00 0.68 H new ATOM 0 HG2 ARG A 31 -4.731 6.813 -11.828 1.00 0.71 H new ATOM 0 HG3 ARG A 31 -3.544 6.940 -10.545 1.00 0.71 H new ATOM 0 HD2 ARG A 31 -4.663 9.101 -10.924 1.00 1.04 H new ATOM 0 HD3 ARG A 31 -2.948 9.221 -11.265 1.00 1.04 H new ATOM 0 HE ARG A 31 -4.902 8.777 -13.489 1.00 1.53 H new ATOM 0 HH11 ARG A 31 -2.478 10.958 -12.023 1.00 2.48 H new ATOM 0 HH12 ARG A 31 -2.356 11.901 -13.513 1.00 2.48 H new ATOM 0 HH21 ARG A 31 -4.607 9.980 -15.309 1.00 2.95 H new ATOM 0 HH22 ARG A 31 -3.515 11.369 -15.301 1.00 2.95 H new ATOM 462 N LEU A 32 -2.072 4.359 -9.829 1.00 0.50 N ATOM 463 CA LEU A 32 -2.547 3.258 -8.981 1.00 0.46 C ATOM 464 C LEU A 32 -3.865 3.667 -8.313 1.00 0.48 C ATOM 465 O LEU A 32 -3.904 4.676 -7.622 1.00 0.64 O ATOM 466 CB LEU A 32 -1.442 2.979 -7.940 1.00 0.49 C ATOM 467 CG LEU A 32 -1.781 1.913 -6.876 1.00 0.55 C ATOM 468 CD1 LEU A 32 -1.759 0.496 -7.463 1.00 0.71 C ATOM 469 CD2 LEU A 32 -0.764 2.003 -5.730 1.00 0.72 C ATOM 0 H LEU A 32 -1.453 4.992 -9.322 1.00 0.50 H new ATOM 0 HA LEU A 32 -2.741 2.354 -9.558 1.00 0.46 H new ATOM 0 HB2 LEU A 32 -0.541 2.666 -8.468 1.00 0.49 H new ATOM 0 HB3 LEU A 32 -1.204 3.913 -7.430 1.00 0.49 H new ATOM 0 HG LEU A 32 -2.789 2.109 -6.510 1.00 0.55 H new ATOM 0 HD11 LEU A 32 -2.003 -0.225 -6.683 1.00 0.71 H new ATOM 0 HD12 LEU A 32 -2.493 0.423 -8.266 1.00 0.71 H new ATOM 0 HD13 LEU A 32 -0.766 0.281 -7.858 1.00 0.71 H new ATOM 0 HD21 LEU A 32 -0.999 1.252 -4.975 1.00 0.72 H new ATOM 0 HD22 LEU A 32 0.239 1.826 -6.119 1.00 0.72 H new ATOM 0 HD23 LEU A 32 -0.809 2.995 -5.281 1.00 0.72 H new ATOM 481 N VAL A 33 -4.925 2.886 -8.483 1.00 0.41 N ATOM 482 CA VAL A 33 -6.302 3.243 -8.071 1.00 0.46 C ATOM 483 C VAL A 33 -6.937 2.253 -7.076 1.00 0.59 C ATOM 484 O VAL A 33 -8.031 2.510 -6.579 1.00 0.75 O ATOM 485 CB VAL A 33 -7.225 3.447 -9.300 1.00 0.56 C ATOM 486 CG1 VAL A 33 -6.686 4.551 -10.226 1.00 0.59 C ATOM 487 CG2 VAL A 33 -7.431 2.169 -10.134 1.00 0.64 C ATOM 0 H VAL A 33 -4.864 1.966 -8.919 1.00 0.41 H new ATOM 0 HA VAL A 33 -6.204 4.188 -7.537 1.00 0.46 H new ATOM 0 HB VAL A 33 -8.190 3.737 -8.883 1.00 0.56 H new ATOM 0 HG11 VAL A 33 -7.355 4.670 -11.078 1.00 0.59 H new ATOM 0 HG12 VAL A 33 -6.628 5.491 -9.676 1.00 0.59 H new ATOM 0 HG13 VAL A 33 -5.693 4.276 -10.580 1.00 0.59 H new ATOM 0 HG21 VAL A 33 -8.087 2.386 -10.977 1.00 0.64 H new ATOM 0 HG22 VAL A 33 -6.468 1.817 -10.505 1.00 0.64 H new ATOM 0 HG23 VAL A 33 -7.884 1.397 -9.511 1.00 0.64 H new ATOM 497 N GLY A 34 -6.276 1.127 -6.772 1.00 0.59 N ATOM 498 CA GLY A 34 -6.756 0.140 -5.801 1.00 0.80 C ATOM 499 C GLY A 34 -5.894 -1.116 -5.773 1.00 0.84 C ATOM 500 O GLY A 34 -4.792 -1.128 -6.326 1.00 0.73 O ATOM 0 H GLY A 34 -5.384 0.876 -7.199 1.00 0.59 H new ATOM 0 HA2 GLY A 34 -6.771 0.589 -4.808 1.00 0.80 H new ATOM 0 HA3 GLY A 34 -7.783 -0.133 -6.043 1.00 0.80 H new ATOM 504 N ALA A 35 -6.400 -2.182 -5.152 1.00 1.03 N ATOM 505 CA ALA A 35 -5.728 -3.480 -5.086 1.00 0.98 C ATOM 506 C ALA A 35 -6.719 -4.647 -4.908 1.00 1.05 C ATOM 507 O ALA A 35 -7.906 -4.379 -4.722 1.00 1.21 O ATOM 508 CB ALA A 35 -4.722 -3.416 -3.931 1.00 1.22 C ATOM 0 H ALA A 35 -7.301 -2.168 -4.674 1.00 1.03 H new ATOM 0 HA ALA A 35 -5.218 -3.677 -6.029 1.00 0.98 H new ATOM 0 HB1 ALA A 35 -4.200 -4.369 -3.850 1.00 1.22 H new ATOM 0 HB2 ALA A 35 -4.000 -2.622 -4.121 1.00 1.22 H new ATOM 0 HB3 ALA A 35 -5.250 -3.212 -3.000 1.00 1.22 H new ATOM 514 N ARG A 36 -6.246 -5.913 -4.889 1.00 0.98 N ATOM 515 CA ARG A 36 -7.010 -7.071 -4.365 1.00 0.92 C ATOM 516 C ARG A 36 -6.165 -8.341 -4.268 1.00 1.02 C ATOM 517 O ARG A 36 -5.455 -8.680 -5.208 1.00 1.51 O ATOM 518 CB ARG A 36 -8.344 -7.330 -5.103 1.00 1.48 C ATOM 519 CG ARG A 36 -8.323 -7.235 -6.642 1.00 1.50 C ATOM 520 CD ARG A 36 -8.681 -8.546 -7.356 1.00 2.26 C ATOM 521 NE ARG A 36 -7.646 -9.591 -7.227 1.00 3.16 N ATOM 522 CZ ARG A 36 -7.789 -10.870 -7.559 1.00 4.22 C ATOM 523 NH1 ARG A 36 -8.953 -11.372 -7.913 1.00 4.51 N ATOM 524 NH2 ARG A 36 -6.757 -11.680 -7.553 1.00 5.66 N ATOM 0 H ARG A 36 -5.321 -6.163 -5.238 1.00 0.98 H new ATOM 0 HA ARG A 36 -7.282 -6.783 -3.349 1.00 0.92 H new ATOM 0 HB2 ARG A 36 -8.694 -8.325 -4.830 1.00 1.48 H new ATOM 0 HB3 ARG A 36 -9.081 -6.619 -4.730 1.00 1.48 H new ATOM 0 HG2 ARG A 36 -9.022 -6.460 -6.957 1.00 1.50 H new ATOM 0 HG3 ARG A 36 -7.330 -6.919 -6.962 1.00 1.50 H new ATOM 0 HD2 ARG A 36 -9.620 -8.925 -6.953 1.00 2.26 H new ATOM 0 HD3 ARG A 36 -8.848 -8.340 -8.413 1.00 2.26 H new ATOM 0 HE ARG A 36 -6.742 -9.306 -6.850 1.00 3.16 H new ATOM 0 HH11 ARG A 36 -9.779 -10.775 -7.938 1.00 4.51 H new ATOM 0 HH12 ARG A 36 -9.029 -12.358 -8.162 1.00 4.51 H new ATOM 0 HH21 ARG A 36 -5.835 -11.330 -7.292 1.00 5.66 H new ATOM 0 HH22 ARG A 36 -6.876 -12.660 -7.809 1.00 5.66 H new ATOM 538 N THR A 37 -6.259 -9.054 -3.143 1.00 0.72 N ATOM 539 CA THR A 37 -5.441 -10.229 -2.775 1.00 0.84 C ATOM 540 C THR A 37 -6.351 -11.389 -2.326 1.00 0.84 C ATOM 541 O THR A 37 -7.449 -11.106 -1.854 1.00 0.77 O ATOM 542 CB THR A 37 -4.469 -9.842 -1.647 1.00 0.85 C ATOM 543 OG1 THR A 37 -3.828 -10.998 -1.177 1.00 1.03 O ATOM 544 CG2 THR A 37 -5.122 -9.165 -0.441 1.00 0.74 C ATOM 0 H THR A 37 -6.941 -8.821 -2.422 1.00 0.72 H new ATOM 0 HA THR A 37 -4.868 -10.558 -3.642 1.00 0.84 H new ATOM 0 HB THR A 37 -3.783 -9.121 -2.092 1.00 0.85 H new ATOM 0 HG1 THR A 37 -2.991 -11.131 -1.669 1.00 1.03 H new ATOM 0 HG21 THR A 37 -4.359 -8.930 0.301 1.00 0.74 H new ATOM 0 HG22 THR A 37 -5.613 -8.246 -0.761 1.00 0.74 H new ATOM 0 HG23 THR A 37 -5.860 -9.836 -0.002 1.00 0.74 H new ATOM 552 N PRO A 38 -5.929 -12.673 -2.373 1.00 0.95 N ATOM 553 CA PRO A 38 -6.623 -13.764 -1.683 1.00 0.91 C ATOM 554 C PRO A 38 -6.634 -13.655 -0.153 1.00 0.86 C ATOM 555 O PRO A 38 -7.503 -14.255 0.473 1.00 0.94 O ATOM 556 CB PRO A 38 -5.882 -15.033 -2.107 1.00 1.00 C ATOM 557 CG PRO A 38 -4.483 -14.560 -2.479 1.00 1.10 C ATOM 558 CD PRO A 38 -4.783 -13.202 -3.103 1.00 1.18 C ATOM 0 HA PRO A 38 -7.677 -13.748 -1.960 1.00 0.91 H new ATOM 0 HB2 PRO A 38 -5.851 -15.762 -1.297 1.00 1.00 H new ATOM 0 HB3 PRO A 38 -6.374 -15.515 -2.952 1.00 1.00 H new ATOM 0 HG2 PRO A 38 -3.832 -14.478 -1.609 1.00 1.10 H new ATOM 0 HG3 PRO A 38 -3.994 -15.236 -3.180 1.00 1.10 H new ATOM 0 HD2 PRO A 38 -3.925 -12.535 -3.020 1.00 1.18 H new ATOM 0 HD3 PRO A 38 -5.008 -13.301 -4.165 1.00 1.18 H new ATOM 566 N VAL A 39 -5.684 -12.932 0.452 1.00 0.84 N ATOM 567 CA VAL A 39 -5.514 -12.920 1.930 1.00 0.87 C ATOM 568 C VAL A 39 -6.360 -11.866 2.667 1.00 0.81 C ATOM 569 O VAL A 39 -6.331 -11.813 3.896 1.00 0.94 O ATOM 570 CB VAL A 39 -4.025 -12.868 2.374 1.00 1.03 C ATOM 571 CG1 VAL A 39 -3.149 -13.787 1.498 1.00 1.17 C ATOM 572 CG2 VAL A 39 -3.428 -11.451 2.390 1.00 0.98 C ATOM 0 H VAL A 39 -5.017 -12.345 -0.049 1.00 0.84 H new ATOM 0 HA VAL A 39 -5.914 -13.885 2.241 1.00 0.87 H new ATOM 0 HB VAL A 39 -4.023 -13.225 3.404 1.00 1.03 H new ATOM 0 HG11 VAL A 39 -2.113 -13.729 1.833 1.00 1.17 H new ATOM 0 HG12 VAL A 39 -3.501 -14.815 1.584 1.00 1.17 H new ATOM 0 HG13 VAL A 39 -3.213 -13.467 0.458 1.00 1.17 H new ATOM 0 HG21 VAL A 39 -2.387 -11.498 2.710 1.00 0.98 H new ATOM 0 HG22 VAL A 39 -3.481 -11.023 1.389 1.00 0.98 H new ATOM 0 HG23 VAL A 39 -3.992 -10.826 3.082 1.00 0.98 H new ATOM 582 N ALA A 40 -7.144 -11.057 1.945 1.00 0.70 N ATOM 583 CA ALA A 40 -8.012 -10.020 2.506 1.00 0.67 C ATOM 584 C ALA A 40 -9.343 -9.914 1.747 1.00 0.68 C ATOM 585 O ALA A 40 -9.501 -10.444 0.644 1.00 0.88 O ATOM 586 CB ALA A 40 -7.269 -8.676 2.524 1.00 0.78 C ATOM 0 H ALA A 40 -7.192 -11.108 0.927 1.00 0.70 H new ATOM 0 HA ALA A 40 -8.260 -10.299 3.530 1.00 0.67 H new ATOM 0 HB1 ALA A 40 -7.918 -7.907 2.942 1.00 0.78 H new ATOM 0 HB2 ALA A 40 -6.371 -8.765 3.136 1.00 0.78 H new ATOM 0 HB3 ALA A 40 -6.989 -8.401 1.507 1.00 0.78 H new ATOM 592 N GLU A 41 -10.300 -9.247 2.385 1.00 0.68 N ATOM 593 CA GLU A 41 -11.555 -8.811 1.791 1.00 0.76 C ATOM 594 C GLU A 41 -11.419 -7.350 1.337 1.00 0.79 C ATOM 595 O GLU A 41 -10.879 -7.067 0.264 1.00 1.17 O ATOM 596 CB GLU A 41 -12.690 -9.082 2.808 1.00 0.84 C ATOM 597 CG GLU A 41 -14.103 -8.793 2.289 1.00 1.13 C ATOM 598 CD GLU A 41 -14.304 -9.344 0.878 1.00 2.02 C ATOM 599 OE1 GLU A 41 -13.990 -10.541 0.671 1.00 2.55 O ATOM 600 OE2 GLU A 41 -14.630 -8.524 -0.002 1.00 3.23 O ATOM 0 H GLU A 41 -10.217 -8.986 3.368 1.00 0.68 H new ATOM 0 HA GLU A 41 -11.810 -9.369 0.890 1.00 0.76 H new ATOM 0 HB2 GLU A 41 -12.639 -10.126 3.118 1.00 0.84 H new ATOM 0 HB3 GLU A 41 -12.514 -8.476 3.697 1.00 0.84 H new ATOM 0 HG2 GLU A 41 -14.837 -9.236 2.962 1.00 1.13 H new ATOM 0 HG3 GLU A 41 -14.279 -7.717 2.289 1.00 1.13 H new ATOM 607 N ARG A 42 -11.824 -6.402 2.184 1.00 0.72 N ATOM 608 CA ARG A 42 -11.736 -4.987 1.869 1.00 0.81 C ATOM 609 C ARG A 42 -10.272 -4.554 1.811 1.00 0.70 C ATOM 610 O ARG A 42 -9.524 -4.762 2.761 1.00 1.00 O ATOM 611 CB ARG A 42 -12.531 -4.187 2.906 1.00 1.07 C ATOM 612 CG ARG A 42 -12.445 -2.683 2.628 1.00 1.34 C ATOM 613 CD ARG A 42 -13.564 -1.905 3.338 1.00 1.35 C ATOM 614 NE ARG A 42 -14.159 -0.929 2.422 1.00 2.24 N ATOM 615 CZ ARG A 42 -14.890 -1.183 1.345 1.00 3.19 C ATOM 616 NH1 ARG A 42 -15.418 -2.366 1.095 1.00 4.05 N ATOM 617 NH2 ARG A 42 -15.056 -0.208 0.488 1.00 4.60 N ATOM 0 H ARG A 42 -12.220 -6.599 3.103 1.00 0.72 H new ATOM 0 HA ARG A 42 -12.170 -4.794 0.888 1.00 0.81 H new ATOM 0 HB2 ARG A 42 -13.574 -4.503 2.892 1.00 1.07 H new ATOM 0 HB3 ARG A 42 -12.147 -4.398 3.904 1.00 1.07 H new ATOM 0 HG2 ARG A 42 -11.476 -2.308 2.957 1.00 1.34 H new ATOM 0 HG3 ARG A 42 -12.506 -2.508 1.554 1.00 1.34 H new ATOM 0 HD2 ARG A 42 -14.329 -2.596 3.693 1.00 1.35 H new ATOM 0 HD3 ARG A 42 -13.164 -1.396 4.214 1.00 1.35 H new ATOM 0 HE ARG A 42 -13.993 0.054 2.636 1.00 2.24 H new ATOM 0 HH11 ARG A 42 -15.271 -3.138 1.746 1.00 4.05 H new ATOM 0 HH12 ARG A 42 -15.973 -2.509 0.251 1.00 4.05 H new ATOM 0 HH21 ARG A 42 -14.631 0.702 0.663 1.00 4.60 H new ATOM 0 HH22 ARG A 42 -15.611 -0.359 -0.355 1.00 4.60 H new ATOM 631 N VAL A 43 -9.909 -3.894 0.719 1.00 0.58 N ATOM 632 CA VAL A 43 -8.663 -3.135 0.570 1.00 0.57 C ATOM 633 C VAL A 43 -8.958 -1.740 0.005 1.00 0.67 C ATOM 634 O VAL A 43 -9.713 -1.609 -0.957 1.00 0.92 O ATOM 635 CB VAL A 43 -7.617 -3.907 -0.260 1.00 0.83 C ATOM 636 CG1 VAL A 43 -8.117 -4.361 -1.635 1.00 1.15 C ATOM 637 CG2 VAL A 43 -6.339 -3.077 -0.434 1.00 0.87 C ATOM 0 H VAL A 43 -10.490 -3.868 -0.119 1.00 0.58 H new ATOM 0 HA VAL A 43 -8.217 -3.002 1.556 1.00 0.57 H new ATOM 0 HB VAL A 43 -7.409 -4.811 0.313 1.00 0.83 H new ATOM 0 HG11 VAL A 43 -7.321 -4.896 -2.153 1.00 1.15 H new ATOM 0 HG12 VAL A 43 -8.976 -5.021 -1.510 1.00 1.15 H new ATOM 0 HG13 VAL A 43 -8.410 -3.490 -2.221 1.00 1.15 H new ATOM 0 HG21 VAL A 43 -5.616 -3.642 -1.022 1.00 0.87 H new ATOM 0 HG22 VAL A 43 -6.577 -2.146 -0.948 1.00 0.87 H new ATOM 0 HG23 VAL A 43 -5.915 -2.853 0.545 1.00 0.87 H new ATOM 647 N GLU A 44 -8.371 -0.708 0.616 1.00 0.64 N ATOM 648 CA GLU A 44 -8.491 0.704 0.206 1.00 0.75 C ATOM 649 C GLU A 44 -7.148 1.422 0.346 1.00 0.68 C ATOM 650 O GLU A 44 -6.465 1.245 1.353 1.00 0.73 O ATOM 651 CB GLU A 44 -9.508 1.445 1.088 1.00 1.04 C ATOM 652 CG GLU A 44 -10.938 0.917 0.932 1.00 1.30 C ATOM 653 CD GLU A 44 -11.956 1.703 1.752 1.00 1.84 C ATOM 654 OE1 GLU A 44 -11.567 2.494 2.638 1.00 2.08 O ATOM 655 OE2 GLU A 44 -13.161 1.448 1.522 1.00 2.96 O ATOM 0 H GLU A 44 -7.778 -0.830 1.437 1.00 0.64 H new ATOM 0 HA GLU A 44 -8.819 0.710 -0.833 1.00 0.75 H new ATOM 0 HB2 GLU A 44 -9.207 1.357 2.132 1.00 1.04 H new ATOM 0 HB3 GLU A 44 -9.490 2.506 0.840 1.00 1.04 H new ATOM 0 HG2 GLU A 44 -11.220 0.954 -0.120 1.00 1.30 H new ATOM 0 HG3 GLU A 44 -10.968 -0.130 1.233 1.00 1.30 H new ATOM 662 N LEU A 45 -6.737 2.237 -0.634 1.00 0.64 N ATOM 663 CA LEU A 45 -5.488 2.981 -0.535 1.00 0.59 C ATOM 664 C LEU A 45 -5.672 4.258 0.286 1.00 0.56 C ATOM 665 O LEU A 45 -6.460 5.139 -0.062 1.00 0.56 O ATOM 666 CB LEU A 45 -4.936 3.235 -1.942 1.00 0.59 C ATOM 667 CG LEU A 45 -3.429 3.544 -1.898 1.00 0.59 C ATOM 668 CD1 LEU A 45 -2.781 3.124 -3.205 1.00 0.60 C ATOM 669 CD2 LEU A 45 -3.139 5.029 -1.737 1.00 0.66 C ATOM 0 H LEU A 45 -7.254 2.393 -1.499 1.00 0.64 H new ATOM 0 HA LEU A 45 -4.746 2.392 0.005 1.00 0.59 H new ATOM 0 HB2 LEU A 45 -5.113 2.361 -2.569 1.00 0.59 H new ATOM 0 HB3 LEU A 45 -5.468 4.069 -2.400 1.00 0.59 H new ATOM 0 HG LEU A 45 -3.033 2.999 -1.041 1.00 0.59 H new ATOM 0 HD11 LEU A 45 -1.714 3.345 -3.170 1.00 0.60 H new ATOM 0 HD12 LEU A 45 -2.926 2.054 -3.355 1.00 0.60 H new ATOM 0 HD13 LEU A 45 -3.237 3.671 -4.030 1.00 0.60 H new ATOM 0 HD21 LEU A 45 -2.061 5.189 -1.712 1.00 0.66 H new ATOM 0 HD22 LEU A 45 -3.568 5.577 -2.576 1.00 0.66 H new ATOM 0 HD23 LEU A 45 -3.580 5.387 -0.807 1.00 0.66 H new ATOM 681 N HIS A 46 -4.897 4.356 1.360 1.00 0.54 N ATOM 682 CA HIS A 46 -4.769 5.537 2.208 1.00 0.54 C ATOM 683 C HIS A 46 -3.406 6.238 2.038 1.00 0.51 C ATOM 684 O HIS A 46 -2.395 5.620 1.685 1.00 0.51 O ATOM 685 CB HIS A 46 -4.988 5.149 3.688 1.00 0.60 C ATOM 686 CG HIS A 46 -6.392 4.808 4.145 1.00 0.66 C ATOM 687 ND1 HIS A 46 -6.841 4.974 5.459 1.00 0.74 N ATOM 688 CD2 HIS A 46 -7.430 4.315 3.405 1.00 0.69 C ATOM 689 CE1 HIS A 46 -8.108 4.528 5.476 1.00 0.80 C ATOM 690 NE2 HIS A 46 -8.488 4.113 4.259 1.00 0.77 N ATOM 0 H HIS A 46 -4.315 3.581 1.678 1.00 0.54 H new ATOM 0 HA HIS A 46 -5.536 6.246 1.896 1.00 0.54 H new ATOM 0 HB2 HIS A 46 -4.351 4.291 3.904 1.00 0.60 H new ATOM 0 HB3 HIS A 46 -4.630 5.974 4.304 1.00 0.60 H new ATOM 0 HD2 HIS A 46 -7.421 4.120 2.343 1.00 0.69 H new ATOM 0 HE1 HIS A 46 -8.737 4.507 6.354 1.00 0.80 H new ATOM 0 HE2 HIS A 46 -9.396 3.719 4.012 1.00 0.77 H new ATOM 698 N GLU A 47 -3.388 7.530 2.359 1.00 0.53 N ATOM 699 CA GLU A 47 -2.169 8.273 2.668 1.00 0.52 C ATOM 700 C GLU A 47 -2.010 8.452 4.187 1.00 0.50 C ATOM 701 O GLU A 47 -2.836 7.981 4.981 1.00 0.60 O ATOM 702 CB GLU A 47 -2.130 9.593 1.893 1.00 0.80 C ATOM 703 CG GLU A 47 -3.219 10.584 2.296 1.00 0.98 C ATOM 704 CD GLU A 47 -2.996 11.927 1.609 1.00 1.56 C ATOM 705 OE1 GLU A 47 -2.604 11.932 0.421 1.00 3.01 O ATOM 706 OE2 GLU A 47 -3.213 12.935 2.315 1.00 1.75 O ATOM 0 H GLU A 47 -4.233 8.099 2.412 1.00 0.53 H new ATOM 0 HA GLU A 47 -1.304 7.697 2.337 1.00 0.52 H new ATOM 0 HB2 GLU A 47 -1.156 10.060 2.040 1.00 0.80 H new ATOM 0 HB3 GLU A 47 -2.224 9.380 0.828 1.00 0.80 H new ATOM 0 HG2 GLU A 47 -4.198 10.188 2.026 1.00 0.98 H new ATOM 0 HG3 GLU A 47 -3.216 10.717 3.378 1.00 0.98 H new ATOM 713 N THR A 48 -0.931 9.112 4.615 1.00 0.60 N ATOM 714 CA THR A 48 -0.647 9.414 6.023 1.00 0.76 C ATOM 715 C THR A 48 0.094 10.743 6.080 1.00 0.97 C ATOM 716 O THR A 48 1.267 10.833 5.723 1.00 1.22 O ATOM 717 CB THR A 48 0.122 8.274 6.687 1.00 1.10 C ATOM 718 OG1 THR A 48 -0.662 7.111 6.579 1.00 1.24 O ATOM 719 CG2 THR A 48 0.373 8.532 8.173 1.00 1.30 C ATOM 0 H THR A 48 -0.213 9.460 3.979 1.00 0.60 H new ATOM 0 HA THR A 48 -1.574 9.506 6.589 1.00 0.76 H new ATOM 0 HB THR A 48 1.088 8.179 6.191 1.00 1.10 H new ATOM 0 HG1 THR A 48 -0.080 6.323 6.582 1.00 1.24 H new ATOM 0 HG21 THR A 48 0.923 7.693 8.600 1.00 1.30 H new ATOM 0 HG22 THR A 48 0.956 9.445 8.290 1.00 1.30 H new ATOM 0 HG23 THR A 48 -0.581 8.641 8.689 1.00 1.30 H new ATOM 727 N PHE A 49 -0.641 11.775 6.489 1.00 1.08 N ATOM 728 CA PHE A 49 -0.371 13.183 6.202 1.00 1.18 C ATOM 729 C PHE A 49 -0.231 14.035 7.471 1.00 1.07 C ATOM 730 O PHE A 49 -0.783 13.714 8.525 1.00 1.08 O ATOM 731 CB PHE A 49 -1.496 13.719 5.293 1.00 1.31 C ATOM 732 CG PHE A 49 -2.888 13.804 5.915 1.00 1.22 C ATOM 733 CD1 PHE A 49 -3.675 12.647 6.086 1.00 2.26 C ATOM 734 CD2 PHE A 49 -3.420 15.053 6.288 1.00 2.13 C ATOM 735 CE1 PHE A 49 -4.953 12.733 6.665 1.00 2.24 C ATOM 736 CE2 PHE A 49 -4.712 15.145 6.834 1.00 2.30 C ATOM 737 CZ PHE A 49 -5.471 13.982 7.039 1.00 1.44 C ATOM 0 H PHE A 49 -1.480 11.647 7.055 1.00 1.08 H new ATOM 0 HA PHE A 49 0.591 13.254 5.695 1.00 1.18 H new ATOM 0 HB2 PHE A 49 -1.213 14.714 4.950 1.00 1.31 H new ATOM 0 HB3 PHE A 49 -1.554 13.083 4.410 1.00 1.31 H new ATOM 0 HD1 PHE A 49 -3.293 11.687 5.770 1.00 2.26 H new ATOM 0 HD2 PHE A 49 -2.831 15.948 6.154 1.00 2.13 H new ATOM 0 HE1 PHE A 49 -5.536 11.838 6.822 1.00 2.24 H new ATOM 0 HE2 PHE A 49 -5.121 16.110 7.096 1.00 2.30 H new ATOM 0 HZ PHE A 49 -6.453 14.049 7.484 1.00 1.44 H new ATOM 747 N MET A 50 0.486 15.161 7.365 1.00 1.14 N ATOM 748 CA MET A 50 0.573 16.169 8.434 1.00 1.11 C ATOM 749 C MET A 50 -0.628 17.116 8.398 1.00 1.18 C ATOM 750 O MET A 50 -1.100 17.488 7.327 1.00 1.62 O ATOM 751 CB MET A 50 1.871 16.980 8.339 1.00 1.32 C ATOM 752 CG MET A 50 3.071 16.213 8.904 1.00 2.52 C ATOM 753 SD MET A 50 4.559 17.225 9.116 1.00 3.00 S ATOM 754 CE MET A 50 5.007 17.483 7.381 1.00 2.97 C ATOM 0 H MET A 50 1.025 15.401 6.533 1.00 1.14 H new ATOM 0 HA MET A 50 0.570 15.629 9.381 1.00 1.11 H new ATOM 0 HB2 MET A 50 2.063 17.236 7.297 1.00 1.32 H new ATOM 0 HB3 MET A 50 1.753 17.918 8.881 1.00 1.32 H new ATOM 0 HG2 MET A 50 2.795 15.785 9.868 1.00 2.52 H new ATOM 0 HG3 MET A 50 3.302 15.380 8.240 1.00 2.52 H new ATOM 0 HE1 MET A 50 5.938 18.047 7.326 1.00 2.97 H new ATOM 0 HE2 MET A 50 5.137 16.518 6.891 1.00 2.97 H new ATOM 0 HE3 MET A 50 4.216 18.040 6.880 1.00 2.97 H new ATOM 764 N ARG A 51 -1.087 17.530 9.583 1.00 1.16 N ATOM 765 CA ARG A 51 -2.237 18.416 9.777 1.00 1.42 C ATOM 766 C ARG A 51 -2.299 18.941 11.216 1.00 1.60 C ATOM 767 O ARG A 51 -2.255 18.175 12.173 1.00 1.83 O ATOM 768 CB ARG A 51 -3.543 17.716 9.363 1.00 1.60 C ATOM 769 CG ARG A 51 -3.760 16.337 10.029 1.00 3.77 C ATOM 770 CD ARG A 51 -5.181 16.176 10.574 1.00 4.38 C ATOM 771 NE ARG A 51 -5.427 17.138 11.665 1.00 5.89 N ATOM 772 CZ ARG A 51 -5.229 16.944 12.964 1.00 7.72 C ATOM 773 NH1 ARG A 51 -4.936 15.758 13.461 1.00 8.35 N ATOM 774 NH2 ARG A 51 -5.321 17.973 13.781 1.00 9.20 N ATOM 0 H ARG A 51 -0.653 17.248 10.462 1.00 1.16 H new ATOM 0 HA ARG A 51 -2.111 19.283 9.128 1.00 1.42 H new ATOM 0 HB2 ARG A 51 -4.384 18.364 9.611 1.00 1.60 H new ATOM 0 HB3 ARG A 51 -3.547 17.589 8.280 1.00 1.60 H new ATOM 0 HG2 ARG A 51 -3.560 15.549 9.303 1.00 3.77 H new ATOM 0 HG3 ARG A 51 -3.044 16.211 10.842 1.00 3.77 H new ATOM 0 HD2 ARG A 51 -5.904 16.332 9.773 1.00 4.38 H new ATOM 0 HD3 ARG A 51 -5.324 15.159 10.939 1.00 4.38 H new ATOM 0 HE ARG A 51 -5.789 18.052 11.392 1.00 5.89 H new ATOM 0 HH11 ARG A 51 -4.855 14.951 12.842 1.00 8.35 H new ATOM 0 HH12 ARG A 51 -4.791 15.647 14.465 1.00 8.35 H new ATOM 0 HH21 ARG A 51 -5.541 18.898 13.413 1.00 9.20 H new ATOM 0 HH22 ARG A 51 -5.172 17.844 14.782 1.00 9.20 H new ATOM 788 N GLU A 52 -2.425 20.248 11.374 1.00 1.64 N ATOM 789 CA GLU A 52 -2.326 20.942 12.660 1.00 1.79 C ATOM 790 C GLU A 52 -3.696 21.051 13.346 1.00 1.84 C ATOM 791 O GLU A 52 -4.726 20.653 12.795 1.00 2.16 O ATOM 792 CB GLU A 52 -1.652 22.296 12.395 1.00 1.99 C ATOM 793 CG GLU A 52 -0.120 22.164 12.362 1.00 2.61 C ATOM 794 CD GLU A 52 0.421 20.953 11.583 1.00 3.43 C ATOM 795 OE1 GLU A 52 0.540 19.847 12.164 1.00 4.30 O ATOM 796 OE2 GLU A 52 0.811 21.094 10.411 1.00 3.96 O ATOM 0 H GLU A 52 -2.604 20.879 10.593 1.00 1.64 H new ATOM 0 HA GLU A 52 -1.716 20.381 13.368 1.00 1.79 H new ATOM 0 HB2 GLU A 52 -2.004 22.700 11.446 1.00 1.99 H new ATOM 0 HB3 GLU A 52 -1.941 23.006 13.170 1.00 1.99 H new ATOM 0 HG2 GLU A 52 0.297 23.071 11.925 1.00 2.61 H new ATOM 0 HG3 GLU A 52 0.245 22.108 13.387 1.00 2.61 H new ATOM 803 N VAL A 53 -3.697 21.585 14.565 1.00 1.73 N ATOM 804 CA VAL A 53 -4.871 22.124 15.268 1.00 1.89 C ATOM 805 C VAL A 53 -4.399 23.145 16.300 1.00 2.24 C ATOM 806 O VAL A 53 -3.403 22.884 16.967 1.00 3.71 O ATOM 807 CB VAL A 53 -5.744 21.013 15.873 1.00 1.98 C ATOM 808 CG1 VAL A 53 -5.074 20.346 17.069 1.00 2.84 C ATOM 809 CG2 VAL A 53 -7.140 21.531 16.243 1.00 3.59 C ATOM 0 H VAL A 53 -2.844 21.660 15.119 1.00 1.73 H new ATOM 0 HA VAL A 53 -5.521 22.631 14.555 1.00 1.89 H new ATOM 0 HB VAL A 53 -5.863 20.252 15.101 1.00 1.98 H new ATOM 0 HG11 VAL A 53 -5.727 19.568 17.464 1.00 2.84 H new ATOM 0 HG12 VAL A 53 -4.129 19.903 16.756 1.00 2.84 H new ATOM 0 HG13 VAL A 53 -4.887 21.090 17.843 1.00 2.84 H new ATOM 0 HG21 VAL A 53 -7.729 20.718 16.668 1.00 3.59 H new ATOM 0 HG22 VAL A 53 -7.048 22.333 16.975 1.00 3.59 H new ATOM 0 HG23 VAL A 53 -7.636 21.910 15.350 1.00 3.59 H new ATOM 819 N GLU A 54 -5.035 24.322 16.372 1.00 1.80 N ATOM 820 CA GLU A 54 -4.643 25.426 17.280 1.00 1.99 C ATOM 821 C GLU A 54 -3.253 26.021 16.923 1.00 1.88 C ATOM 822 O GLU A 54 -2.669 26.755 17.711 1.00 2.24 O ATOM 823 CB GLU A 54 -4.678 24.918 18.737 1.00 2.25 C ATOM 824 CG GLU A 54 -4.955 25.957 19.830 1.00 3.14 C ATOM 825 CD GLU A 54 -4.671 25.314 21.186 1.00 3.22 C ATOM 826 OE1 GLU A 54 -5.290 24.275 21.508 1.00 3.00 O ATOM 827 OE2 GLU A 54 -3.683 25.701 21.850 1.00 4.20 O ATOM 0 H GLU A 54 -5.848 24.544 15.797 1.00 1.80 H new ATOM 0 HA GLU A 54 -5.358 26.240 17.160 1.00 1.99 H new ATOM 0 HB2 GLU A 54 -5.440 24.142 18.807 1.00 2.25 H new ATOM 0 HB3 GLU A 54 -3.720 24.445 18.954 1.00 2.25 H new ATOM 0 HG2 GLU A 54 -4.326 26.835 19.687 1.00 3.14 H new ATOM 0 HG3 GLU A 54 -5.990 26.295 19.779 1.00 3.14 H new ATOM 834 N GLY A 55 -2.680 25.659 15.763 1.00 1.66 N ATOM 835 CA GLY A 55 -1.281 25.946 15.399 1.00 1.75 C ATOM 836 C GLY A 55 -0.275 24.903 15.906 1.00 1.68 C ATOM 837 O GLY A 55 0.915 25.007 15.626 1.00 2.01 O ATOM 0 H GLY A 55 -3.185 25.149 15.038 1.00 1.66 H new ATOM 0 HA2 GLY A 55 -1.205 26.011 14.314 1.00 1.75 H new ATOM 0 HA3 GLY A 55 -1.006 26.923 15.796 1.00 1.75 H new ATOM 841 N LYS A 56 -0.734 23.865 16.612 1.00 1.46 N ATOM 842 CA LYS A 56 0.071 22.798 17.190 1.00 1.62 C ATOM 843 C LYS A 56 0.074 21.589 16.253 1.00 1.64 C ATOM 844 O LYS A 56 -0.925 21.284 15.588 1.00 1.48 O ATOM 845 CB LYS A 56 -0.495 22.455 18.578 1.00 1.74 C ATOM 846 CG LYS A 56 -0.430 23.649 19.552 1.00 2.39 C ATOM 847 CD LYS A 56 -0.872 23.331 20.990 1.00 2.73 C ATOM 848 CE LYS A 56 -2.312 22.803 21.054 1.00 2.43 C ATOM 849 NZ LYS A 56 -2.985 23.163 22.323 1.00 2.81 N ATOM 0 H LYS A 56 -1.729 23.745 16.802 1.00 1.46 H new ATOM 0 HA LYS A 56 1.107 23.115 17.310 1.00 1.62 H new ATOM 0 HB2 LYS A 56 -1.530 22.130 18.475 1.00 1.74 H new ATOM 0 HB3 LYS A 56 0.062 21.617 18.997 1.00 1.74 H new ATOM 0 HG2 LYS A 56 0.593 24.026 19.576 1.00 2.39 H new ATOM 0 HG3 LYS A 56 -1.056 24.452 19.163 1.00 2.39 H new ATOM 0 HD2 LYS A 56 -0.197 22.591 21.420 1.00 2.73 H new ATOM 0 HD3 LYS A 56 -0.790 24.230 21.600 1.00 2.73 H new ATOM 0 HE2 LYS A 56 -2.882 23.205 20.216 1.00 2.43 H new ATOM 0 HE3 LYS A 56 -2.305 21.719 20.944 1.00 2.43 H new ATOM 0 HZ1 LYS A 56 -4.016 23.131 22.190 1.00 2.81 H new ATOM 0 HZ2 LYS A 56 -2.710 22.488 23.065 1.00 2.81 H new ATOM 0 HZ3 LYS A 56 -2.702 24.123 22.606 1.00 2.81 H new ATOM 863 N LYS A 57 1.230 20.932 16.169 1.00 1.92 N ATOM 864 CA LYS A 57 1.567 19.953 15.149 1.00 1.96 C ATOM 865 C LYS A 57 0.872 18.596 15.360 1.00 1.62 C ATOM 866 O LYS A 57 0.920 18.059 16.463 1.00 1.85 O ATOM 867 CB LYS A 57 3.104 19.902 15.154 1.00 2.62 C ATOM 868 CG LYS A 57 3.776 18.733 14.434 1.00 3.37 C ATOM 869 CD LYS A 57 3.464 18.542 12.939 1.00 3.81 C ATOM 870 CE LYS A 57 3.712 19.802 12.099 1.00 3.41 C ATOM 871 NZ LYS A 57 3.077 19.688 10.767 1.00 4.34 N ATOM 0 H LYS A 57 1.985 21.077 16.840 1.00 1.92 H new ATOM 0 HA LYS A 57 1.197 20.235 14.163 1.00 1.96 H new ATOM 0 HB2 LYS A 57 3.472 20.827 14.709 1.00 2.62 H new ATOM 0 HB3 LYS A 57 3.436 19.893 16.192 1.00 2.62 H new ATOM 0 HG2 LYS A 57 4.855 18.849 14.540 1.00 3.37 H new ATOM 0 HG3 LYS A 57 3.501 17.815 14.954 1.00 3.37 H new ATOM 0 HD2 LYS A 57 4.075 17.728 12.549 1.00 3.81 H new ATOM 0 HD3 LYS A 57 2.423 18.240 12.828 1.00 3.81 H new ATOM 0 HE2 LYS A 57 3.317 20.674 12.620 1.00 3.41 H new ATOM 0 HE3 LYS A 57 4.784 19.960 11.982 1.00 3.41 H new ATOM 0 HZ1 LYS A 57 2.526 20.548 10.570 1.00 4.34 H new ATOM 0 HZ2 LYS A 57 3.812 19.574 10.040 1.00 4.34 H new ATOM 0 HZ3 LYS A 57 2.445 18.862 10.753 1.00 4.34 H new ATOM 885 N VAL A 58 0.255 18.038 14.312 1.00 1.33 N ATOM 886 CA VAL A 58 -0.398 16.715 14.339 1.00 1.09 C ATOM 887 C VAL A 58 -0.363 16.045 12.951 1.00 0.97 C ATOM 888 O VAL A 58 0.290 16.525 12.022 1.00 1.49 O ATOM 889 CB VAL A 58 -1.844 16.760 14.922 1.00 1.14 C ATOM 890 CG1 VAL A 58 -2.087 15.571 15.867 1.00 1.93 C ATOM 891 CG2 VAL A 58 -2.289 18.041 15.653 1.00 1.46 C ATOM 0 H VAL A 58 0.192 18.498 13.404 1.00 1.33 H new ATOM 0 HA VAL A 58 0.183 16.098 15.024 1.00 1.09 H new ATOM 0 HB VAL A 58 -2.451 16.723 14.018 1.00 1.14 H new ATOM 0 HG11 VAL A 58 -3.101 15.622 16.262 1.00 1.93 H new ATOM 0 HG12 VAL A 58 -1.958 14.638 15.319 1.00 1.93 H new ATOM 0 HG13 VAL A 58 -1.374 15.609 16.691 1.00 1.93 H new ATOM 0 HG21 VAL A 58 -3.315 17.923 16.002 1.00 1.46 H new ATOM 0 HG22 VAL A 58 -1.634 18.219 16.506 1.00 1.46 H new ATOM 0 HG23 VAL A 58 -2.233 18.888 14.969 1.00 1.46 H new ATOM 901 N MET A 59 -1.050 14.908 12.829 1.00 1.12 N ATOM 902 CA MET A 59 -1.132 14.058 11.633 1.00 1.19 C ATOM 903 C MET A 59 -2.503 13.365 11.488 1.00 1.30 C ATOM 904 O MET A 59 -3.416 13.605 12.286 1.00 2.00 O ATOM 905 CB MET A 59 0.040 13.056 11.661 1.00 1.31 C ATOM 906 CG MET A 59 -0.054 12.047 12.817 1.00 2.84 C ATOM 907 SD MET A 59 1.512 11.734 13.675 1.00 3.53 S ATOM 908 CE MET A 59 1.688 13.297 14.578 1.00 3.70 C ATOM 0 H MET A 59 -1.596 14.532 13.604 1.00 1.12 H new ATOM 0 HA MET A 59 -1.044 14.684 10.745 1.00 1.19 H new ATOM 0 HB2 MET A 59 0.069 12.514 10.716 1.00 1.31 H new ATOM 0 HB3 MET A 59 0.978 13.606 11.742 1.00 1.31 H new ATOM 0 HG2 MET A 59 -0.783 12.411 13.541 1.00 2.84 H new ATOM 0 HG3 MET A 59 -0.435 11.103 12.428 1.00 2.84 H new ATOM 0 HE1 MET A 59 2.559 13.243 15.232 1.00 3.70 H new ATOM 0 HE2 MET A 59 1.817 14.115 13.869 1.00 3.70 H new ATOM 0 HE3 MET A 59 0.795 13.474 15.177 1.00 3.70 H new ATOM 918 N GLY A 60 -2.656 12.524 10.461 1.00 0.93 N ATOM 919 CA GLY A 60 -3.791 11.615 10.271 1.00 0.96 C ATOM 920 C GLY A 60 -3.565 10.607 9.143 1.00 0.81 C ATOM 921 O GLY A 60 -2.605 10.722 8.389 1.00 1.07 O ATOM 0 H GLY A 60 -1.968 12.455 9.711 1.00 0.93 H new ATOM 0 HA2 GLY A 60 -3.978 11.077 11.200 1.00 0.96 H new ATOM 0 HA3 GLY A 60 -4.686 12.199 10.055 1.00 0.96 H new ATOM 925 N MET A 61 -4.486 9.653 9.003 1.00 0.73 N ATOM 926 CA MET A 61 -4.645 8.783 7.827 1.00 0.65 C ATOM 927 C MET A 61 -5.986 9.086 7.146 1.00 0.65 C ATOM 928 O MET A 61 -6.903 9.596 7.798 1.00 0.79 O ATOM 929 CB MET A 61 -4.604 7.295 8.220 1.00 0.86 C ATOM 930 CG MET A 61 -3.304 6.861 8.904 1.00 1.03 C ATOM 931 SD MET A 61 -3.174 7.218 10.676 1.00 1.63 S ATOM 932 CE MET A 61 -1.654 6.291 10.994 1.00 1.85 C ATOM 0 H MET A 61 -5.171 9.454 9.732 1.00 0.73 H new ATOM 0 HA MET A 61 -3.819 8.982 7.145 1.00 0.65 H new ATOM 0 HB2 MET A 61 -5.440 7.084 8.887 1.00 0.86 H new ATOM 0 HB3 MET A 61 -4.750 6.690 7.325 1.00 0.86 H new ATOM 0 HG2 MET A 61 -3.184 5.787 8.761 1.00 1.03 H new ATOM 0 HG3 MET A 61 -2.471 7.345 8.395 1.00 1.03 H new ATOM 0 HE1 MET A 61 -1.388 6.378 12.047 1.00 1.85 H new ATOM 0 HE2 MET A 61 -1.809 5.241 10.745 1.00 1.85 H new ATOM 0 HE3 MET A 61 -0.847 6.694 10.382 1.00 1.85 H new ATOM 942 N ARG A 62 -6.113 8.770 5.855 1.00 0.60 N ATOM 943 CA ARG A 62 -7.350 8.911 5.067 1.00 0.63 C ATOM 944 C ARG A 62 -7.221 8.145 3.742 1.00 0.61 C ATOM 945 O ARG A 62 -6.127 8.172 3.171 1.00 0.57 O ATOM 946 CB ARG A 62 -7.663 10.398 4.771 1.00 0.73 C ATOM 947 CG ARG A 62 -8.891 10.906 5.546 1.00 1.55 C ATOM 948 CD ARG A 62 -9.201 12.377 5.245 1.00 1.86 C ATOM 949 NE ARG A 62 -10.407 12.809 5.979 1.00 3.59 N ATOM 950 CZ ARG A 62 -10.994 13.999 5.916 1.00 4.61 C ATOM 951 NH1 ARG A 62 -10.504 14.983 5.187 1.00 4.45 N ATOM 952 NH2 ARG A 62 -12.107 14.218 6.587 1.00 6.44 N ATOM 0 H ARG A 62 -5.337 8.397 5.308 1.00 0.60 H new ATOM 0 HA ARG A 62 -8.168 8.496 5.656 1.00 0.63 H new ATOM 0 HB2 ARG A 62 -6.797 11.007 5.029 1.00 0.73 H new ATOM 0 HB3 ARG A 62 -7.834 10.524 3.702 1.00 0.73 H new ATOM 0 HG2 ARG A 62 -9.757 10.295 5.291 1.00 1.55 H new ATOM 0 HG3 ARG A 62 -8.719 10.785 6.615 1.00 1.55 H new ATOM 0 HD2 ARG A 62 -8.352 13.000 5.529 1.00 1.86 H new ATOM 0 HD3 ARG A 62 -9.352 12.512 4.174 1.00 1.86 H new ATOM 0 HE ARG A 62 -10.834 12.122 6.600 1.00 3.59 H new ATOM 0 HH11 ARG A 62 -9.649 14.842 4.649 1.00 4.45 H new ATOM 0 HH12 ARG A 62 -10.980 15.885 5.161 1.00 4.45 H new ATOM 0 HH21 ARG A 62 -12.516 13.475 7.153 1.00 6.44 H new ATOM 0 HH22 ARG A 62 -12.559 15.131 6.540 1.00 6.44 H new ATOM 966 N PRO A 63 -8.299 7.524 3.222 1.00 0.64 N ATOM 967 CA PRO A 63 -8.306 6.998 1.868 1.00 0.63 C ATOM 968 C PRO A 63 -8.216 8.135 0.855 1.00 0.61 C ATOM 969 O PRO A 63 -8.735 9.229 1.083 1.00 0.64 O ATOM 970 CB PRO A 63 -9.567 6.154 1.693 1.00 0.71 C ATOM 971 CG PRO A 63 -10.482 6.629 2.809 1.00 0.82 C ATOM 972 CD PRO A 63 -9.598 7.330 3.845 1.00 0.73 C ATOM 0 HA PRO A 63 -7.436 6.365 1.693 1.00 0.63 H new ATOM 0 HB2 PRO A 63 -10.018 6.309 0.713 1.00 0.71 H new ATOM 0 HB3 PRO A 63 -9.350 5.089 1.780 1.00 0.71 H new ATOM 0 HG2 PRO A 63 -11.239 7.312 2.423 1.00 0.82 H new ATOM 0 HG3 PRO A 63 -11.010 5.788 3.259 1.00 0.82 H new ATOM 0 HD2 PRO A 63 -10.032 8.285 4.141 1.00 0.73 H new ATOM 0 HD3 PRO A 63 -9.508 6.727 4.748 1.00 0.73 H new ATOM 980 N VAL A 64 -7.566 7.831 -0.264 1.00 0.59 N ATOM 981 CA VAL A 64 -7.440 8.700 -1.441 1.00 0.59 C ATOM 982 C VAL A 64 -8.074 8.014 -2.655 1.00 0.59 C ATOM 983 O VAL A 64 -8.166 6.785 -2.676 1.00 0.59 O ATOM 984 CB VAL A 64 -5.965 9.049 -1.751 1.00 0.56 C ATOM 985 CG1 VAL A 64 -5.492 10.168 -0.821 1.00 0.57 C ATOM 986 CG2 VAL A 64 -5.011 7.847 -1.664 1.00 0.60 C ATOM 0 H VAL A 64 -7.091 6.937 -0.386 1.00 0.59 H new ATOM 0 HA VAL A 64 -7.960 9.633 -1.222 1.00 0.59 H new ATOM 0 HB VAL A 64 -5.937 9.381 -2.789 1.00 0.56 H new ATOM 0 HG11 VAL A 64 -4.453 10.411 -1.043 1.00 0.57 H new ATOM 0 HG12 VAL A 64 -6.111 11.052 -0.972 1.00 0.57 H new ATOM 0 HG13 VAL A 64 -5.575 9.839 0.215 1.00 0.57 H new ATOM 0 HG21 VAL A 64 -3.996 8.171 -1.894 1.00 0.60 H new ATOM 0 HG22 VAL A 64 -5.040 7.432 -0.657 1.00 0.60 H new ATOM 0 HG23 VAL A 64 -5.320 7.085 -2.379 1.00 0.60 H new ATOM 996 N PRO A 65 -8.492 8.778 -3.685 1.00 0.64 N ATOM 997 CA PRO A 65 -9.015 8.199 -4.913 1.00 0.67 C ATOM 998 C PRO A 65 -7.933 7.470 -5.721 1.00 0.56 C ATOM 999 O PRO A 65 -8.295 6.601 -6.511 1.00 0.53 O ATOM 1000 CB PRO A 65 -9.610 9.375 -5.696 1.00 0.79 C ATOM 1001 CG PRO A 65 -8.773 10.565 -5.231 1.00 0.78 C ATOM 1002 CD PRO A 65 -8.508 10.233 -3.764 1.00 0.71 C ATOM 0 HA PRO A 65 -9.763 7.436 -4.699 1.00 0.67 H new ATOM 0 HB2 PRO A 65 -9.530 9.223 -6.772 1.00 0.79 H new ATOM 0 HB3 PRO A 65 -10.667 9.514 -5.471 1.00 0.79 H new ATOM 0 HG2 PRO A 65 -7.847 10.656 -5.799 1.00 0.78 H new ATOM 0 HG3 PRO A 65 -9.310 11.507 -5.343 1.00 0.78 H new ATOM 0 HD2 PRO A 65 -7.558 10.653 -3.433 1.00 0.71 H new ATOM 0 HD3 PRO A 65 -9.283 10.651 -3.122 1.00 0.71 H new ATOM 1010 N PHE A 66 -6.638 7.783 -5.529 1.00 0.54 N ATOM 1011 CA PHE A 66 -5.527 7.198 -6.274 1.00 0.50 C ATOM 1012 C PHE A 66 -4.170 7.649 -5.721 1.00 0.52 C ATOM 1013 O PHE A 66 -4.060 8.638 -4.999 1.00 0.58 O ATOM 1014 CB PHE A 66 -5.636 7.491 -7.788 1.00 0.54 C ATOM 1015 CG PHE A 66 -5.617 8.949 -8.198 1.00 0.62 C ATOM 1016 CD1 PHE A 66 -4.396 9.643 -8.303 1.00 2.27 C ATOM 1017 CD2 PHE A 66 -6.817 9.597 -8.538 1.00 1.80 C ATOM 1018 CE1 PHE A 66 -4.378 10.976 -8.743 1.00 2.40 C ATOM 1019 CE2 PHE A 66 -6.800 10.932 -8.979 1.00 1.77 C ATOM 1020 CZ PHE A 66 -5.579 11.623 -9.084 1.00 0.93 C ATOM 0 H PHE A 66 -6.337 8.466 -4.834 1.00 0.54 H new ATOM 0 HA PHE A 66 -5.592 6.118 -6.142 1.00 0.50 H new ATOM 0 HB2 PHE A 66 -4.814 6.984 -8.294 1.00 0.54 H new ATOM 0 HB3 PHE A 66 -6.560 7.045 -8.156 1.00 0.54 H new ATOM 0 HD1 PHE A 66 -3.471 9.149 -8.044 1.00 2.27 H new ATOM 0 HD2 PHE A 66 -7.755 9.068 -8.460 1.00 1.80 H new ATOM 0 HE1 PHE A 66 -3.440 11.506 -8.820 1.00 2.40 H new ATOM 0 HE2 PHE A 66 -7.724 11.427 -9.237 1.00 1.77 H new ATOM 0 HZ PHE A 66 -5.564 12.647 -9.426 1.00 0.93 H new ATOM 1030 N LEU A 67 -3.138 6.924 -6.142 1.00 0.51 N ATOM 1031 CA LEU A 67 -1.736 7.319 -6.182 1.00 0.54 C ATOM 1032 C LEU A 67 -1.254 7.316 -7.641 1.00 0.55 C ATOM 1033 O LEU A 67 -1.960 6.843 -8.531 1.00 0.53 O ATOM 1034 CB LEU A 67 -0.917 6.313 -5.347 1.00 0.58 C ATOM 1035 CG LEU A 67 -0.308 6.921 -4.079 1.00 0.65 C ATOM 1036 CD1 LEU A 67 0.489 5.804 -3.388 1.00 1.03 C ATOM 1037 CD2 LEU A 67 0.661 8.076 -4.389 1.00 1.04 C ATOM 0 H LEU A 67 -3.271 5.974 -6.490 1.00 0.51 H new ATOM 0 HA LEU A 67 -1.609 8.320 -5.770 1.00 0.54 H new ATOM 0 HB2 LEU A 67 -1.559 5.478 -5.067 1.00 0.58 H new ATOM 0 HB3 LEU A 67 -0.117 5.907 -5.966 1.00 0.58 H new ATOM 0 HG LEU A 67 -1.111 7.320 -3.460 1.00 0.65 H new ATOM 0 HD11 LEU A 67 0.943 6.192 -2.476 1.00 1.03 H new ATOM 0 HD12 LEU A 67 -0.180 4.980 -3.139 1.00 1.03 H new ATOM 0 HD13 LEU A 67 1.270 5.446 -4.059 1.00 1.03 H new ATOM 0 HD21 LEU A 67 1.065 8.472 -3.457 1.00 1.04 H new ATOM 0 HD22 LEU A 67 1.477 7.709 -5.011 1.00 1.04 H new ATOM 0 HD23 LEU A 67 0.128 8.866 -4.918 1.00 1.04 H new ATOM 1049 N GLU A 68 -0.022 7.740 -7.906 1.00 0.68 N ATOM 1050 CA GLU A 68 0.579 7.653 -9.239 1.00 0.73 C ATOM 1051 C GLU A 68 2.100 7.656 -9.173 1.00 0.88 C ATOM 1052 O GLU A 68 2.670 7.877 -8.106 1.00 1.02 O ATOM 1053 CB GLU A 68 -0.012 8.719 -10.173 1.00 0.80 C ATOM 1054 CG GLU A 68 0.498 10.144 -9.994 1.00 0.99 C ATOM 1055 CD GLU A 68 -0.359 11.006 -10.917 1.00 1.16 C ATOM 1056 OE1 GLU A 68 -1.539 11.230 -10.561 1.00 1.62 O ATOM 1057 OE2 GLU A 68 0.058 11.286 -12.060 1.00 2.17 O ATOM 0 H GLU A 68 0.591 8.155 -7.204 1.00 0.68 H new ATOM 0 HA GLU A 68 0.319 6.690 -9.679 1.00 0.73 H new ATOM 0 HB2 GLU A 68 0.181 8.415 -11.202 1.00 0.80 H new ATOM 0 HB3 GLU A 68 -1.094 8.726 -10.041 1.00 0.80 H new ATOM 0 HG2 GLU A 68 0.404 10.467 -8.957 1.00 0.99 H new ATOM 0 HG3 GLU A 68 1.553 10.218 -10.256 1.00 0.99 H new ATOM 1064 N VAL A 69 2.740 7.347 -10.300 1.00 0.89 N ATOM 1065 CA VAL A 69 4.178 7.072 -10.370 1.00 1.00 C ATOM 1066 C VAL A 69 4.732 7.497 -11.737 1.00 1.05 C ATOM 1067 O VAL A 69 4.141 7.132 -12.757 1.00 1.01 O ATOM 1068 CB VAL A 69 4.497 5.561 -10.165 1.00 1.05 C ATOM 1069 CG1 VAL A 69 5.986 5.348 -9.842 1.00 1.17 C ATOM 1070 CG2 VAL A 69 3.678 4.855 -9.070 1.00 1.10 C ATOM 0 H VAL A 69 2.270 7.279 -11.203 1.00 0.89 H new ATOM 0 HA VAL A 69 4.647 7.642 -9.568 1.00 1.00 H new ATOM 0 HB VAL A 69 4.218 5.111 -11.118 1.00 1.05 H new ATOM 0 HG11 VAL A 69 6.180 4.284 -9.704 1.00 1.17 H new ATOM 0 HG12 VAL A 69 6.594 5.724 -10.665 1.00 1.17 H new ATOM 0 HG13 VAL A 69 6.240 5.885 -8.928 1.00 1.17 H new ATOM 0 HG21 VAL A 69 3.978 3.809 -9.009 1.00 1.10 H new ATOM 0 HG22 VAL A 69 3.858 5.340 -8.111 1.00 1.10 H new ATOM 0 HG23 VAL A 69 2.617 4.915 -9.313 1.00 1.10 H new ATOM 1080 N PRO A 70 5.862 8.226 -11.802 1.00 1.18 N ATOM 1081 CA PRO A 70 6.497 8.569 -13.067 1.00 1.27 C ATOM 1082 C PRO A 70 7.211 7.357 -13.696 1.00 1.28 C ATOM 1083 O PRO A 70 7.460 6.362 -13.013 1.00 1.28 O ATOM 1084 CB PRO A 70 7.483 9.690 -12.729 1.00 1.40 C ATOM 1085 CG PRO A 70 7.897 9.362 -11.295 1.00 1.41 C ATOM 1086 CD PRO A 70 6.613 8.795 -10.688 1.00 1.28 C ATOM 0 HA PRO A 70 5.765 8.885 -13.810 1.00 1.27 H new ATOM 0 HB2 PRO A 70 8.338 9.693 -13.405 1.00 1.40 H new ATOM 0 HB3 PRO A 70 7.017 10.673 -12.800 1.00 1.40 H new ATOM 0 HG2 PRO A 70 8.711 8.638 -11.266 1.00 1.41 H new ATOM 0 HG3 PRO A 70 8.239 10.248 -10.761 1.00 1.41 H new ATOM 0 HD2 PRO A 70 6.837 8.035 -9.939 1.00 1.28 H new ATOM 0 HD3 PRO A 70 6.039 9.575 -10.188 1.00 1.28 H new ATOM 1094 N PRO A 71 7.559 7.434 -14.991 1.00 1.33 N ATOM 1095 CA PRO A 71 8.342 6.417 -15.684 1.00 1.35 C ATOM 1096 C PRO A 71 9.746 6.268 -15.095 1.00 1.44 C ATOM 1097 O PRO A 71 10.373 7.254 -14.708 1.00 1.52 O ATOM 1098 CB PRO A 71 8.328 6.818 -17.157 1.00 1.40 C ATOM 1099 CG PRO A 71 7.978 8.303 -17.172 1.00 1.46 C ATOM 1100 CD PRO A 71 7.176 8.503 -15.896 1.00 1.39 C ATOM 0 HA PRO A 71 7.913 5.422 -15.563 1.00 1.35 H new ATOM 0 HB2 PRO A 71 9.297 6.639 -17.622 1.00 1.40 H new ATOM 0 HB3 PRO A 71 7.594 6.236 -17.715 1.00 1.40 H new ATOM 0 HG2 PRO A 71 8.873 8.924 -17.182 1.00 1.46 H new ATOM 0 HG3 PRO A 71 7.396 8.567 -18.055 1.00 1.46 H new ATOM 0 HD2 PRO A 71 7.387 9.477 -15.455 1.00 1.39 H new ATOM 0 HD3 PRO A 71 6.106 8.471 -16.102 1.00 1.39 H new ATOM 1108 N LYS A 72 10.214 5.014 -15.000 1.00 1.44 N ATOM 1109 CA LYS A 72 11.528 4.593 -14.468 1.00 1.55 C ATOM 1110 C LYS A 72 11.669 4.769 -12.944 1.00 1.61 C ATOM 1111 O LYS A 72 12.708 4.462 -12.363 1.00 1.73 O ATOM 1112 CB LYS A 72 12.677 5.275 -15.232 1.00 1.64 C ATOM 1113 CG LYS A 72 12.482 5.314 -16.754 1.00 1.47 C ATOM 1114 CD LYS A 72 12.336 3.934 -17.415 1.00 1.55 C ATOM 1115 CE LYS A 72 11.918 4.126 -18.874 1.00 1.48 C ATOM 1116 NZ LYS A 72 11.738 2.843 -19.590 1.00 2.05 N ATOM 0 H LYS A 72 9.657 4.218 -15.309 1.00 1.44 H new ATOM 0 HA LYS A 72 11.592 3.518 -14.638 1.00 1.55 H new ATOM 0 HB2 LYS A 72 12.788 6.295 -14.865 1.00 1.64 H new ATOM 0 HB3 LYS A 72 13.607 4.753 -15.009 1.00 1.64 H new ATOM 0 HG2 LYS A 72 11.595 5.906 -16.979 1.00 1.47 H new ATOM 0 HG3 LYS A 72 13.331 5.830 -17.203 1.00 1.47 H new ATOM 0 HD2 LYS A 72 13.278 3.389 -17.361 1.00 1.55 H new ATOM 0 HD3 LYS A 72 11.593 3.339 -16.885 1.00 1.55 H new ATOM 0 HE2 LYS A 72 10.987 4.691 -18.909 1.00 1.48 H new ATOM 0 HE3 LYS A 72 12.672 4.722 -19.388 1.00 1.48 H new ATOM 0 HZ1 LYS A 72 10.877 2.888 -20.171 1.00 2.05 H new ATOM 0 HZ2 LYS A 72 12.560 2.669 -20.202 1.00 2.05 H new ATOM 0 HZ3 LYS A 72 11.650 2.070 -18.900 1.00 2.05 H new ATOM 1130 N GLY A 73 10.615 5.257 -12.291 1.00 1.56 N ATOM 1131 CA GLY A 73 10.531 5.550 -10.871 1.00 1.61 C ATOM 1132 C GLY A 73 9.993 4.359 -10.096 1.00 1.47 C ATOM 1133 O GLY A 73 8.891 3.879 -10.352 1.00 1.21 O ATOM 0 H GLY A 73 9.744 5.470 -12.776 1.00 1.56 H new ATOM 0 HA2 GLY A 73 11.518 5.818 -10.493 1.00 1.61 H new ATOM 0 HA3 GLY A 73 9.884 6.413 -10.712 1.00 1.61 H new ATOM 1137 N ARG A 74 10.767 3.945 -9.096 1.00 1.90 N ATOM 1138 CA ARG A 74 10.244 3.225 -7.922 1.00 1.72 C ATOM 1139 C ARG A 74 9.818 4.172 -6.802 1.00 1.60 C ATOM 1140 O ARG A 74 10.424 5.221 -6.614 1.00 1.75 O ATOM 1141 CB ARG A 74 11.149 2.094 -7.402 1.00 2.16 C ATOM 1142 CG ARG A 74 12.485 2.444 -6.717 1.00 1.81 C ATOM 1143 CD ARG A 74 12.845 1.594 -5.470 1.00 1.86 C ATOM 1144 NE ARG A 74 12.499 0.148 -5.489 1.00 2.84 N ATOM 1145 CZ ARG A 74 12.531 -0.744 -6.480 1.00 3.36 C ATOM 1146 NH1 ARG A 74 13.055 -0.488 -7.657 1.00 3.45 N ATOM 1147 NH2 ARG A 74 11.990 -1.926 -6.303 1.00 4.83 N ATOM 0 H ARG A 74 11.775 4.096 -9.070 1.00 1.90 H new ATOM 0 HA ARG A 74 9.350 2.722 -8.291 1.00 1.72 H new ATOM 0 HB2 ARG A 74 10.564 1.507 -6.695 1.00 2.16 H new ATOM 0 HB3 ARG A 74 11.376 1.443 -8.246 1.00 2.16 H new ATOM 0 HG2 ARG A 74 13.286 2.339 -7.449 1.00 1.81 H new ATOM 0 HG3 ARG A 74 12.457 3.493 -6.423 1.00 1.81 H new ATOM 0 HD2 ARG A 74 13.919 1.678 -5.307 1.00 1.86 H new ATOM 0 HD3 ARG A 74 12.355 2.044 -4.606 1.00 1.86 H new ATOM 0 HE ARG A 74 12.184 -0.224 -4.593 1.00 2.84 H new ATOM 0 HH11 ARG A 74 13.462 0.428 -7.846 1.00 3.45 H new ATOM 0 HH12 ARG A 74 13.055 -1.205 -8.382 1.00 3.45 H new ATOM 0 HH21 ARG A 74 11.549 -2.157 -5.413 1.00 4.83 H new ATOM 0 HH22 ARG A 74 12.010 -2.614 -7.056 1.00 4.83 H new ATOM 1161 N VAL A 75 8.799 3.767 -6.050 1.00 1.41 N ATOM 1162 CA VAL A 75 8.276 4.440 -4.849 1.00 1.32 C ATOM 1163 C VAL A 75 7.807 3.387 -3.841 1.00 1.21 C ATOM 1164 O VAL A 75 7.560 2.243 -4.221 1.00 1.37 O ATOM 1165 CB VAL A 75 7.104 5.401 -5.168 1.00 1.37 C ATOM 1166 CG1 VAL A 75 7.548 6.593 -6.031 1.00 1.65 C ATOM 1167 CG2 VAL A 75 5.912 4.694 -5.845 1.00 1.34 C ATOM 0 H VAL A 75 8.283 2.915 -6.268 1.00 1.41 H new ATOM 0 HA VAL A 75 9.086 5.040 -4.433 1.00 1.32 H new ATOM 0 HB VAL A 75 6.771 5.771 -4.198 1.00 1.37 H new ATOM 0 HG11 VAL A 75 6.692 7.238 -6.228 1.00 1.65 H new ATOM 0 HG12 VAL A 75 8.315 7.159 -5.503 1.00 1.65 H new ATOM 0 HG13 VAL A 75 7.952 6.228 -6.975 1.00 1.65 H new ATOM 0 HG21 VAL A 75 5.123 5.420 -6.043 1.00 1.34 H new ATOM 0 HG22 VAL A 75 6.239 4.248 -6.784 1.00 1.34 H new ATOM 0 HG23 VAL A 75 5.530 3.914 -5.187 1.00 1.34 H new ATOM 1177 N GLU A 76 7.633 3.765 -2.571 1.00 1.17 N ATOM 1178 CA GLU A 76 7.049 2.884 -1.560 1.00 1.24 C ATOM 1179 C GLU A 76 5.759 3.452 -0.964 1.00 1.18 C ATOM 1180 O GLU A 76 5.677 4.625 -0.588 1.00 1.24 O ATOM 1181 CB GLU A 76 8.030 2.592 -0.416 1.00 1.66 C ATOM 1182 CG GLU A 76 9.341 1.931 -0.851 1.00 2.02 C ATOM 1183 CD GLU A 76 10.511 2.905 -0.903 1.00 2.26 C ATOM 1184 OE1 GLU A 76 10.979 3.353 0.169 1.00 2.68 O ATOM 1185 OE2 GLU A 76 11.059 3.157 -1.997 1.00 3.02 O ATOM 0 H GLU A 76 7.892 4.686 -2.218 1.00 1.17 H new ATOM 0 HA GLU A 76 6.818 1.957 -2.085 1.00 1.24 H new ATOM 0 HB2 GLU A 76 8.262 3.527 0.093 1.00 1.66 H new ATOM 0 HB3 GLU A 76 7.537 1.947 0.311 1.00 1.66 H new ATOM 0 HG2 GLU A 76 9.580 1.122 -0.161 1.00 2.02 H new ATOM 0 HG3 GLU A 76 9.206 1.482 -1.835 1.00 2.02 H new ATOM 1192 N LEU A 77 4.797 2.555 -0.756 1.00 1.14 N ATOM 1193 CA LEU A 77 3.725 2.704 0.216 1.00 1.05 C ATOM 1194 C LEU A 77 4.313 2.475 1.621 1.00 1.04 C ATOM 1195 O LEU A 77 4.107 1.446 2.263 1.00 1.42 O ATOM 1196 CB LEU A 77 2.548 1.771 -0.143 1.00 1.04 C ATOM 1197 CG LEU A 77 1.601 2.322 -1.230 1.00 1.04 C ATOM 1198 CD1 LEU A 77 2.216 2.337 -2.638 1.00 1.03 C ATOM 1199 CD2 LEU A 77 0.311 1.493 -1.233 1.00 1.05 C ATOM 0 H LEU A 77 4.744 1.680 -1.277 1.00 1.14 H new ATOM 0 HA LEU A 77 3.306 3.710 0.202 1.00 1.05 H new ATOM 0 HB2 LEU A 77 2.949 0.815 -0.479 1.00 1.04 H new ATOM 0 HB3 LEU A 77 1.969 1.574 0.759 1.00 1.04 H new ATOM 0 HG LEU A 77 1.399 3.363 -0.979 1.00 1.04 H new ATOM 0 HD11 LEU A 77 1.491 2.737 -3.347 1.00 1.03 H new ATOM 0 HD12 LEU A 77 3.108 2.963 -2.639 1.00 1.03 H new ATOM 0 HD13 LEU A 77 2.485 1.321 -2.928 1.00 1.03 H new ATOM 0 HD21 LEU A 77 -0.365 1.875 -1.998 1.00 1.05 H new ATOM 0 HD22 LEU A 77 0.549 0.451 -1.446 1.00 1.05 H new ATOM 0 HD23 LEU A 77 -0.169 1.563 -0.257 1.00 1.05 H new ATOM 1211 N LYS A 78 5.104 3.451 2.070 1.00 0.96 N ATOM 1212 CA LYS A 78 5.718 3.522 3.397 1.00 0.97 C ATOM 1213 C LYS A 78 4.698 4.031 4.440 1.00 0.82 C ATOM 1214 O LYS A 78 3.980 4.980 4.124 1.00 0.81 O ATOM 1215 CB LYS A 78 6.974 4.431 3.346 1.00 1.10 C ATOM 1216 CG LYS A 78 6.848 5.649 2.399 1.00 1.35 C ATOM 1217 CD LYS A 78 7.700 6.871 2.768 1.00 1.22 C ATOM 1218 CE LYS A 78 7.096 7.561 3.999 1.00 2.68 C ATOM 1219 NZ LYS A 78 7.284 9.034 4.000 1.00 3.77 N ATOM 0 H LYS A 78 5.346 4.254 1.489 1.00 0.96 H new ATOM 0 HA LYS A 78 6.029 2.523 3.702 1.00 0.97 H new ATOM 0 HB2 LYS A 78 7.188 4.790 4.353 1.00 1.10 H new ATOM 0 HB3 LYS A 78 7.829 3.831 3.034 1.00 1.10 H new ATOM 0 HG2 LYS A 78 7.118 5.332 1.392 1.00 1.35 H new ATOM 0 HG3 LYS A 78 5.802 5.955 2.368 1.00 1.35 H new ATOM 0 HD2 LYS A 78 8.725 6.564 2.976 1.00 1.22 H new ATOM 0 HD3 LYS A 78 7.739 7.567 1.930 1.00 1.22 H new ATOM 0 HE2 LYS A 78 6.030 7.338 4.045 1.00 2.68 H new ATOM 0 HE3 LYS A 78 7.548 7.144 4.899 1.00 2.68 H new ATOM 0 HZ1 LYS A 78 6.560 9.476 4.602 1.00 3.77 H new ATOM 0 HZ2 LYS A 78 8.229 9.263 4.370 1.00 3.77 H new ATOM 0 HZ3 LYS A 78 7.195 9.396 3.029 1.00 3.77 H new ATOM 1233 N PRO A 79 4.692 3.519 5.694 1.00 0.80 N ATOM 1234 CA PRO A 79 3.675 3.802 6.713 1.00 0.76 C ATOM 1235 C PRO A 79 3.350 5.292 6.885 1.00 0.83 C ATOM 1236 O PRO A 79 2.212 5.676 6.644 1.00 1.04 O ATOM 1237 CB PRO A 79 4.169 3.156 8.019 1.00 0.78 C ATOM 1238 CG PRO A 79 5.610 2.732 7.734 1.00 0.87 C ATOM 1239 CD PRO A 79 5.650 2.556 6.220 1.00 0.89 C ATOM 0 HA PRO A 79 2.722 3.377 6.397 1.00 0.76 H new ATOM 0 HB2 PRO A 79 4.122 3.861 8.849 1.00 0.78 H new ATOM 0 HB3 PRO A 79 3.553 2.299 8.293 1.00 0.78 H new ATOM 0 HG2 PRO A 79 6.322 3.488 8.067 1.00 0.87 H new ATOM 0 HG3 PRO A 79 5.863 1.806 8.250 1.00 0.87 H new ATOM 0 HD2 PRO A 79 6.650 2.743 5.829 1.00 0.89 H new ATOM 0 HD3 PRO A 79 5.381 1.539 5.935 1.00 0.89 H new ATOM 1247 N GLY A 80 4.335 6.138 7.222 1.00 0.85 N ATOM 1248 CA GLY A 80 4.165 7.600 7.310 1.00 0.90 C ATOM 1249 C GLY A 80 4.224 8.270 5.934 1.00 0.86 C ATOM 1250 O GLY A 80 5.091 9.112 5.692 1.00 1.21 O ATOM 0 H GLY A 80 5.281 5.826 7.443 1.00 0.85 H new ATOM 0 HA2 GLY A 80 3.209 7.826 7.782 1.00 0.90 H new ATOM 0 HA3 GLY A 80 4.943 8.017 7.950 1.00 0.90 H new ATOM 1254 N GLY A 81 3.405 7.781 5.000 1.00 0.80 N ATOM 1255 CA GLY A 81 3.382 8.106 3.571 1.00 0.77 C ATOM 1256 C GLY A 81 2.076 7.674 2.916 1.00 0.68 C ATOM 1257 O GLY A 81 1.169 8.478 2.749 1.00 0.78 O ATOM 0 H GLY A 81 2.687 7.097 5.240 1.00 0.80 H new ATOM 0 HA2 GLY A 81 3.517 9.180 3.440 1.00 0.77 H new ATOM 0 HA3 GLY A 81 4.219 7.616 3.073 1.00 0.77 H new ATOM 1261 N TYR A 82 2.001 6.398 2.546 1.00 0.60 N ATOM 1262 CA TYR A 82 0.913 5.758 1.802 1.00 0.56 C ATOM 1263 C TYR A 82 0.846 4.280 2.192 1.00 0.57 C ATOM 1264 O TYR A 82 1.877 3.696 2.508 1.00 0.64 O ATOM 1265 CB TYR A 82 1.137 5.911 0.290 1.00 0.60 C ATOM 1266 CG TYR A 82 1.357 7.326 -0.210 1.00 0.67 C ATOM 1267 CD1 TYR A 82 0.267 8.205 -0.343 1.00 1.88 C ATOM 1268 CD2 TYR A 82 2.648 7.745 -0.590 1.00 2.16 C ATOM 1269 CE1 TYR A 82 0.464 9.512 -0.828 1.00 1.85 C ATOM 1270 CE2 TYR A 82 2.853 9.046 -1.087 1.00 2.36 C ATOM 1271 CZ TYR A 82 1.757 9.936 -1.205 1.00 1.08 C ATOM 1272 OH TYR A 82 1.945 11.188 -1.707 1.00 1.36 O ATOM 0 H TYR A 82 2.746 5.739 2.771 1.00 0.60 H new ATOM 0 HA TYR A 82 -0.033 6.239 2.050 1.00 0.56 H new ATOM 0 HB2 TYR A 82 2.001 5.309 0.008 1.00 0.60 H new ATOM 0 HB3 TYR A 82 0.274 5.493 -0.229 1.00 0.60 H new ATOM 0 HD1 TYR A 82 -0.725 7.876 -0.072 1.00 1.88 H new ATOM 0 HD2 TYR A 82 3.483 7.066 -0.500 1.00 2.16 H new ATOM 0 HE1 TYR A 82 -0.373 10.189 -0.912 1.00 1.85 H new ATOM 0 HE2 TYR A 82 3.843 9.365 -1.378 1.00 2.36 H new ATOM 0 HH TYR A 82 2.894 11.318 -1.914 1.00 1.36 H new ATOM 1282 N HIS A 83 -0.326 3.655 2.162 1.00 0.57 N ATOM 1283 CA HIS A 83 -0.509 2.242 2.516 1.00 0.63 C ATOM 1284 C HIS A 83 -1.910 1.748 2.131 1.00 0.63 C ATOM 1285 O HIS A 83 -2.803 2.551 1.866 1.00 0.63 O ATOM 1286 CB HIS A 83 -0.196 1.997 4.004 1.00 0.66 C ATOM 1287 CG HIS A 83 -1.108 2.715 4.962 1.00 0.65 C ATOM 1288 ND1 HIS A 83 -0.901 3.950 5.544 1.00 0.73 N ATOM 1289 CD2 HIS A 83 -2.286 2.230 5.457 1.00 0.71 C ATOM 1290 CE1 HIS A 83 -1.929 4.190 6.367 1.00 0.79 C ATOM 1291 NE2 HIS A 83 -2.790 3.160 6.366 1.00 0.77 N ATOM 0 H HIS A 83 -1.192 4.118 1.888 1.00 0.57 H new ATOM 0 HA HIS A 83 0.204 1.655 1.938 1.00 0.63 H new ATOM 0 HB2 HIS A 83 -0.252 0.927 4.202 1.00 0.66 H new ATOM 0 HB3 HIS A 83 0.831 2.304 4.201 1.00 0.66 H new ATOM 0 HD2 HIS A 83 -2.746 1.290 5.191 1.00 0.71 H new ATOM 0 HE1 HIS A 83 -2.049 5.090 6.952 1.00 0.79 H new ATOM 0 HE2 HIS A 83 -3.643 3.075 6.919 1.00 0.77 H new ATOM 1299 N PHE A 84 -2.107 0.431 2.115 1.00 0.68 N ATOM 1300 CA PHE A 84 -3.404 -0.172 1.834 1.00 0.71 C ATOM 1301 C PHE A 84 -4.051 -0.656 3.126 1.00 0.81 C ATOM 1302 O PHE A 84 -3.524 -1.549 3.789 1.00 1.01 O ATOM 1303 CB PHE A 84 -3.199 -1.344 0.885 1.00 0.72 C ATOM 1304 CG PHE A 84 -3.061 -0.985 -0.581 1.00 0.76 C ATOM 1305 CD1 PHE A 84 -4.154 -0.437 -1.277 1.00 2.14 C ATOM 1306 CD2 PHE A 84 -1.866 -1.258 -1.271 1.00 1.49 C ATOM 1307 CE1 PHE A 84 -4.082 -0.243 -2.666 1.00 2.21 C ATOM 1308 CE2 PHE A 84 -1.779 -1.018 -2.653 1.00 1.48 C ATOM 1309 CZ PHE A 84 -2.893 -0.532 -3.355 1.00 0.93 C ATOM 0 H PHE A 84 -1.368 -0.248 2.297 1.00 0.68 H new ATOM 0 HA PHE A 84 -4.062 0.567 1.377 1.00 0.71 H new ATOM 0 HB2 PHE A 84 -2.305 -1.886 1.193 1.00 0.72 H new ATOM 0 HB3 PHE A 84 -4.040 -2.029 0.995 1.00 0.72 H new ATOM 0 HD1 PHE A 84 -5.051 -0.165 -0.741 1.00 2.14 H new ATOM 0 HD2 PHE A 84 -1.014 -1.653 -0.738 1.00 1.49 H new ATOM 0 HE1 PHE A 84 -4.941 0.129 -3.204 1.00 2.21 H new ATOM 0 HE2 PHE A 84 -0.853 -1.208 -3.176 1.00 1.48 H new ATOM 0 HZ PHE A 84 -2.836 -0.381 -4.423 1.00 0.93 H new ATOM 1319 N MET A 85 -5.215 -0.100 3.452 1.00 0.73 N ATOM 1320 CA MET A 85 -6.041 -0.510 4.589 1.00 0.79 C ATOM 1321 C MET A 85 -6.799 -1.790 4.252 1.00 0.79 C ATOM 1322 O MET A 85 -7.778 -1.759 3.506 1.00 1.08 O ATOM 1323 CB MET A 85 -7.008 0.621 4.995 1.00 0.88 C ATOM 1324 CG MET A 85 -6.452 1.456 6.149 1.00 0.95 C ATOM 1325 SD MET A 85 -6.302 0.541 7.709 1.00 1.09 S ATOM 1326 CE MET A 85 -4.505 0.579 7.849 1.00 0.92 C ATOM 0 H MET A 85 -5.622 0.669 2.920 1.00 0.73 H new ATOM 0 HA MET A 85 -5.392 -0.712 5.441 1.00 0.79 H new ATOM 0 HB2 MET A 85 -7.194 1.266 4.136 1.00 0.88 H new ATOM 0 HB3 MET A 85 -7.967 0.192 5.286 1.00 0.88 H new ATOM 0 HG2 MET A 85 -5.471 1.840 5.868 1.00 0.95 H new ATOM 0 HG3 MET A 85 -7.099 2.319 6.306 1.00 0.95 H new ATOM 0 HE1 MET A 85 -4.173 -0.232 8.498 1.00 0.92 H new ATOM 0 HE2 MET A 85 -4.060 0.458 6.861 1.00 0.92 H new ATOM 0 HE3 MET A 85 -4.193 1.534 8.273 1.00 0.92 H new ATOM 1336 N LEU A 86 -6.321 -2.898 4.820 1.00 0.62 N ATOM 1337 CA LEU A 86 -6.951 -4.209 4.756 1.00 0.58 C ATOM 1338 C LEU A 86 -7.953 -4.328 5.904 1.00 0.64 C ATOM 1339 O LEU A 86 -7.581 -4.124 7.059 1.00 0.88 O ATOM 1340 CB LEU A 86 -5.890 -5.325 4.841 1.00 0.63 C ATOM 1341 CG LEU A 86 -4.728 -5.244 3.830 1.00 0.73 C ATOM 1342 CD1 LEU A 86 -3.894 -6.530 3.934 1.00 1.52 C ATOM 1343 CD2 LEU A 86 -5.213 -5.042 2.390 1.00 1.30 C ATOM 0 H LEU A 86 -5.453 -2.903 5.356 1.00 0.62 H new ATOM 0 HA LEU A 86 -7.471 -4.320 3.805 1.00 0.58 H new ATOM 0 HB2 LEU A 86 -5.469 -5.321 5.846 1.00 0.63 H new ATOM 0 HB3 LEU A 86 -6.391 -6.284 4.709 1.00 0.63 H new ATOM 0 HG LEU A 86 -4.122 -4.373 4.079 1.00 0.73 H new ATOM 0 HD11 LEU A 86 -3.068 -6.486 3.224 1.00 1.52 H new ATOM 0 HD12 LEU A 86 -3.499 -6.626 4.945 1.00 1.52 H new ATOM 0 HD13 LEU A 86 -4.523 -7.391 3.707 1.00 1.52 H new ATOM 0 HD21 LEU A 86 -4.354 -4.992 1.721 1.00 1.30 H new ATOM 0 HD22 LEU A 86 -5.851 -5.877 2.100 1.00 1.30 H new ATOM 0 HD23 LEU A 86 -5.779 -4.113 2.324 1.00 1.30 H new ATOM 1355 N LEU A 87 -9.199 -4.699 5.608 1.00 0.62 N ATOM 1356 CA LEU A 87 -10.260 -4.903 6.596 1.00 0.68 C ATOM 1357 C LEU A 87 -10.939 -6.251 6.336 1.00 0.75 C ATOM 1358 O LEU A 87 -11.506 -6.477 5.266 1.00 1.08 O ATOM 1359 CB LEU A 87 -11.246 -3.709 6.553 1.00 0.80 C ATOM 1360 CG LEU A 87 -11.304 -2.914 7.873 1.00 1.29 C ATOM 1361 CD1 LEU A 87 -12.100 -1.618 7.662 1.00 1.57 C ATOM 1362 CD2 LEU A 87 -11.956 -3.741 8.993 1.00 3.17 C ATOM 0 H LEU A 87 -9.507 -4.870 4.651 1.00 0.62 H new ATOM 0 HA LEU A 87 -9.849 -4.938 7.605 1.00 0.68 H new ATOM 0 HB2 LEU A 87 -10.956 -3.037 5.745 1.00 0.80 H new ATOM 0 HB3 LEU A 87 -12.243 -4.080 6.317 1.00 0.80 H new ATOM 0 HG LEU A 87 -10.283 -2.678 8.172 1.00 1.29 H new ATOM 0 HD11 LEU A 87 -12.139 -1.059 8.597 1.00 1.57 H new ATOM 0 HD12 LEU A 87 -11.614 -1.013 6.897 1.00 1.57 H new ATOM 0 HD13 LEU A 87 -13.113 -1.861 7.342 1.00 1.57 H new ATOM 0 HD21 LEU A 87 -11.982 -3.154 9.911 1.00 3.17 H new ATOM 0 HD22 LEU A 87 -12.972 -4.008 8.704 1.00 3.17 H new ATOM 0 HD23 LEU A 87 -11.376 -4.649 9.160 1.00 3.17 H new ATOM 1374 N GLY A 88 -10.847 -7.166 7.307 1.00 0.67 N ATOM 1375 CA GLY A 88 -11.226 -8.567 7.117 1.00 0.79 C ATOM 1376 C GLY A 88 -10.074 -9.347 6.493 1.00 0.87 C ATOM 1377 O GLY A 88 -10.106 -9.663 5.302 1.00 1.32 O ATOM 0 H GLY A 88 -10.508 -6.955 8.245 1.00 0.67 H new ATOM 0 HA2 GLY A 88 -11.498 -9.010 8.075 1.00 0.79 H new ATOM 0 HA3 GLY A 88 -12.106 -8.629 6.476 1.00 0.79 H new ATOM 1381 N LEU A 89 -9.042 -9.655 7.287 1.00 0.92 N ATOM 1382 CA LEU A 89 -7.995 -10.606 6.893 1.00 0.83 C ATOM 1383 C LEU A 89 -8.580 -12.025 6.860 1.00 0.82 C ATOM 1384 O LEU A 89 -9.218 -12.464 7.811 1.00 1.00 O ATOM 1385 CB LEU A 89 -6.792 -10.523 7.853 1.00 0.92 C ATOM 1386 CG LEU A 89 -6.085 -9.154 7.931 1.00 1.00 C ATOM 1387 CD1 LEU A 89 -4.844 -9.282 8.825 1.00 1.20 C ATOM 1388 CD2 LEU A 89 -5.660 -8.618 6.555 1.00 1.09 C ATOM 0 H LEU A 89 -8.909 -9.255 8.216 1.00 0.92 H new ATOM 0 HA LEU A 89 -7.636 -10.351 5.896 1.00 0.83 H new ATOM 0 HB2 LEU A 89 -7.131 -10.793 8.853 1.00 0.92 H new ATOM 0 HB3 LEU A 89 -6.059 -11.272 7.552 1.00 0.92 H new ATOM 0 HG LEU A 89 -6.801 -8.444 8.346 1.00 1.00 H new ATOM 0 HD11 LEU A 89 -4.338 -8.318 8.885 1.00 1.20 H new ATOM 0 HD12 LEU A 89 -5.146 -9.597 9.824 1.00 1.20 H new ATOM 0 HD13 LEU A 89 -4.165 -10.022 8.401 1.00 1.20 H new ATOM 0 HD21 LEU A 89 -5.169 -7.653 6.676 1.00 1.09 H new ATOM 0 HD22 LEU A 89 -4.970 -9.321 6.088 1.00 1.09 H new ATOM 0 HD23 LEU A 89 -6.540 -8.500 5.923 1.00 1.09 H new ATOM 1400 N LYS A 90 -8.372 -12.764 5.768 1.00 0.83 N ATOM 1401 CA LYS A 90 -9.045 -14.058 5.523 1.00 0.87 C ATOM 1402 C LYS A 90 -8.397 -15.251 6.259 1.00 1.05 C ATOM 1403 O LYS A 90 -8.752 -16.402 6.010 1.00 1.04 O ATOM 1404 CB LYS A 90 -9.180 -14.281 3.998 1.00 0.96 C ATOM 1405 CG LYS A 90 -10.070 -13.184 3.395 1.00 0.90 C ATOM 1406 CD LYS A 90 -10.484 -13.394 1.932 1.00 1.17 C ATOM 1407 CE LYS A 90 -11.673 -12.462 1.651 1.00 1.39 C ATOM 1408 NZ LYS A 90 -11.805 -12.070 0.230 1.00 1.48 N ATOM 0 H LYS A 90 -7.733 -12.488 5.023 1.00 0.83 H new ATOM 0 HA LYS A 90 -10.043 -14.005 5.958 1.00 0.87 H new ATOM 0 HB2 LYS A 90 -8.196 -14.264 3.529 1.00 0.96 H new ATOM 0 HB3 LYS A 90 -9.611 -15.263 3.800 1.00 0.96 H new ATOM 0 HG2 LYS A 90 -10.972 -13.100 4.001 1.00 0.90 H new ATOM 0 HG3 LYS A 90 -9.545 -12.232 3.472 1.00 0.90 H new ATOM 0 HD2 LYS A 90 -9.654 -13.169 1.262 1.00 1.17 H new ATOM 0 HD3 LYS A 90 -10.762 -14.433 1.757 1.00 1.17 H new ATOM 0 HE2 LYS A 90 -12.592 -12.955 1.968 1.00 1.39 H new ATOM 0 HE3 LYS A 90 -11.568 -11.562 2.258 1.00 1.39 H new ATOM 0 HZ1 LYS A 90 -12.729 -11.616 0.079 1.00 1.48 H new ATOM 0 HZ2 LYS A 90 -11.047 -11.402 -0.018 1.00 1.48 H new ATOM 0 HZ3 LYS A 90 -11.732 -12.915 -0.372 1.00 1.48 H new ATOM 1422 N ARG A 91 -7.430 -14.964 7.137 1.00 1.40 N ATOM 1423 CA ARG A 91 -6.470 -15.884 7.755 1.00 1.39 C ATOM 1424 C ARG A 91 -5.482 -15.090 8.632 1.00 1.20 C ATOM 1425 O ARG A 91 -5.235 -13.922 8.316 1.00 1.18 O ATOM 1426 CB ARG A 91 -5.717 -16.693 6.673 1.00 1.60 C ATOM 1427 CG ARG A 91 -4.986 -15.815 5.633 1.00 1.79 C ATOM 1428 CD ARG A 91 -4.518 -16.608 4.407 1.00 1.91 C ATOM 1429 NE ARG A 91 -3.636 -17.726 4.775 1.00 2.36 N ATOM 1430 CZ ARG A 91 -2.353 -17.647 5.110 1.00 3.49 C ATOM 1431 NH1 ARG A 91 -1.692 -16.514 5.109 1.00 4.43 N ATOM 1432 NH2 ARG A 91 -1.704 -18.736 5.438 1.00 4.41 N ATOM 0 H ARG A 91 -7.287 -14.007 7.459 1.00 1.40 H new ATOM 0 HA ARG A 91 -7.010 -16.591 8.385 1.00 1.39 H new ATOM 0 HB2 ARG A 91 -4.991 -17.344 7.159 1.00 1.60 H new ATOM 0 HB3 ARG A 91 -6.427 -17.338 6.155 1.00 1.60 H new ATOM 0 HG2 ARG A 91 -5.651 -15.014 5.309 1.00 1.79 H new ATOM 0 HG3 ARG A 91 -4.124 -15.343 6.105 1.00 1.79 H new ATOM 0 HD2 ARG A 91 -5.386 -16.993 3.872 1.00 1.91 H new ATOM 0 HD3 ARG A 91 -3.992 -15.941 3.724 1.00 1.91 H new ATOM 0 HE ARG A 91 -4.052 -18.657 4.773 1.00 2.36 H new ATOM 0 HH11 ARG A 91 -2.163 -15.649 4.844 1.00 4.43 H new ATOM 0 HH12 ARG A 91 -0.707 -16.498 5.373 1.00 4.43 H new ATOM 0 HH21 ARG A 91 -2.184 -19.636 5.435 1.00 4.41 H new ATOM 0 HH22 ARG A 91 -0.719 -18.684 5.696 1.00 4.41 H new ATOM 1446 N PRO A 92 -4.891 -15.699 9.678 1.00 1.25 N ATOM 1447 CA PRO A 92 -3.661 -15.186 10.256 1.00 1.29 C ATOM 1448 C PRO A 92 -2.549 -15.324 9.211 1.00 1.24 C ATOM 1449 O PRO A 92 -2.525 -16.286 8.440 1.00 1.47 O ATOM 1450 CB PRO A 92 -3.401 -16.040 11.499 1.00 1.62 C ATOM 1451 CG PRO A 92 -4.028 -17.386 11.132 1.00 1.58 C ATOM 1452 CD PRO A 92 -5.220 -16.998 10.253 1.00 1.44 C ATOM 0 HA PRO A 92 -3.712 -14.134 10.537 1.00 1.29 H new ATOM 0 HB2 PRO A 92 -2.335 -16.135 11.707 1.00 1.62 H new ATOM 0 HB3 PRO A 92 -3.862 -15.609 12.388 1.00 1.62 H new ATOM 0 HG2 PRO A 92 -3.325 -18.023 10.596 1.00 1.58 H new ATOM 0 HG3 PRO A 92 -4.345 -17.936 12.018 1.00 1.58 H new ATOM 0 HD2 PRO A 92 -5.386 -17.740 9.472 1.00 1.44 H new ATOM 0 HD3 PRO A 92 -6.136 -16.944 10.841 1.00 1.44 H new ATOM 1460 N LEU A 93 -1.640 -14.353 9.184 1.00 1.32 N ATOM 1461 CA LEU A 93 -0.460 -14.364 8.323 1.00 1.48 C ATOM 1462 C LEU A 93 0.742 -14.875 9.126 1.00 1.53 C ATOM 1463 O LEU A 93 0.812 -14.722 10.345 1.00 1.78 O ATOM 1464 CB LEU A 93 -0.216 -12.950 7.755 1.00 1.59 C ATOM 1465 CG LEU A 93 -0.962 -12.605 6.450 1.00 1.87 C ATOM 1466 CD1 LEU A 93 -2.488 -12.655 6.596 1.00 1.98 C ATOM 1467 CD2 LEU A 93 -0.548 -11.197 5.993 1.00 2.35 C ATOM 0 H LEU A 93 -1.704 -13.521 9.771 1.00 1.32 H new ATOM 0 HA LEU A 93 -0.612 -15.034 7.477 1.00 1.48 H new ATOM 0 HB2 LEU A 93 -0.499 -12.222 8.515 1.00 1.59 H new ATOM 0 HB3 LEU A 93 0.853 -12.830 7.581 1.00 1.59 H new ATOM 0 HG LEU A 93 -0.685 -13.359 5.713 1.00 1.87 H new ATOM 0 HD11 LEU A 93 -2.953 -12.402 5.643 1.00 1.98 H new ATOM 0 HD12 LEU A 93 -2.792 -13.658 6.894 1.00 1.98 H new ATOM 0 HD13 LEU A 93 -2.805 -11.940 7.355 1.00 1.98 H new ATOM 0 HD21 LEU A 93 -1.071 -10.945 5.071 1.00 2.35 H new ATOM 0 HD22 LEU A 93 -0.806 -10.473 6.766 1.00 2.35 H new ATOM 0 HD23 LEU A 93 0.528 -11.173 5.818 1.00 2.35 H new ATOM 1479 N LYS A 94 1.714 -15.472 8.443 1.00 1.60 N ATOM 1480 CA LYS A 94 2.948 -15.974 9.050 1.00 1.76 C ATOM 1481 C LYS A 94 4.154 -15.214 8.478 1.00 1.71 C ATOM 1482 O LYS A 94 4.278 -15.011 7.271 1.00 2.09 O ATOM 1483 CB LYS A 94 2.969 -17.513 8.895 1.00 1.99 C ATOM 1484 CG LYS A 94 4.301 -18.234 9.165 1.00 2.95 C ATOM 1485 CD LYS A 94 5.163 -18.372 7.900 1.00 4.09 C ATOM 1486 CE LYS A 94 6.475 -19.110 8.184 1.00 5.17 C ATOM 1487 NZ LYS A 94 7.545 -18.672 7.256 1.00 6.24 N ATOM 0 H LYS A 94 1.668 -15.624 7.435 1.00 1.60 H new ATOM 0 HA LYS A 94 3.001 -15.784 10.122 1.00 1.76 H new ATOM 0 HB2 LYS A 94 2.218 -17.929 9.567 1.00 1.99 H new ATOM 0 HB3 LYS A 94 2.656 -17.753 7.879 1.00 1.99 H new ATOM 0 HG2 LYS A 94 4.860 -17.686 9.923 1.00 2.95 H new ATOM 0 HG3 LYS A 94 4.098 -19.224 9.572 1.00 2.95 H new ATOM 0 HD2 LYS A 94 4.602 -18.909 7.135 1.00 4.09 H new ATOM 0 HD3 LYS A 94 5.382 -17.382 7.499 1.00 4.09 H new ATOM 0 HE2 LYS A 94 6.784 -18.926 9.213 1.00 5.17 H new ATOM 0 HE3 LYS A 94 6.320 -20.184 8.085 1.00 5.17 H new ATOM 0 HZ1 LYS A 94 8.296 -19.391 7.228 1.00 6.24 H new ATOM 0 HZ2 LYS A 94 7.148 -18.548 6.303 1.00 6.24 H new ATOM 0 HZ3 LYS A 94 7.942 -17.769 7.585 1.00 6.24 H new ATOM 1501 N ALA A 95 5.085 -14.794 9.341 1.00 1.60 N ATOM 1502 CA ALA A 95 6.299 -14.078 8.928 1.00 1.55 C ATOM 1503 C ALA A 95 7.134 -14.927 7.949 1.00 1.77 C ATOM 1504 O ALA A 95 7.540 -16.048 8.273 1.00 2.11 O ATOM 1505 CB ALA A 95 7.081 -13.679 10.184 1.00 1.66 C ATOM 0 H ALA A 95 5.019 -14.941 10.348 1.00 1.60 H new ATOM 0 HA ALA A 95 6.036 -13.170 8.385 1.00 1.55 H new ATOM 0 HB1 ALA A 95 7.987 -13.146 9.895 1.00 1.66 H new ATOM 0 HB2 ALA A 95 6.463 -13.033 10.807 1.00 1.66 H new ATOM 0 HB3 ALA A 95 7.351 -14.574 10.744 1.00 1.66 H new ATOM 1511 N GLY A 96 7.343 -14.432 6.724 1.00 1.76 N ATOM 1512 CA GLY A 96 7.911 -15.226 5.628 1.00 2.03 C ATOM 1513 C GLY A 96 6.909 -16.216 5.020 1.00 1.71 C ATOM 1514 O GLY A 96 7.266 -17.366 4.767 1.00 1.99 O ATOM 0 H GLY A 96 7.123 -13.470 6.464 1.00 1.76 H new ATOM 0 HA2 GLY A 96 8.268 -14.554 4.847 1.00 2.03 H new ATOM 0 HA3 GLY A 96 8.777 -15.775 5.996 1.00 2.03 H new ATOM 1518 N GLU A 97 5.652 -15.805 4.869 1.00 1.37 N ATOM 1519 CA GLU A 97 4.831 -16.121 3.697 1.00 1.35 C ATOM 1520 C GLU A 97 5.020 -14.996 2.664 1.00 1.24 C ATOM 1521 O GLU A 97 5.840 -14.092 2.860 1.00 1.35 O ATOM 1522 CB GLU A 97 3.344 -16.203 4.091 1.00 1.43 C ATOM 1523 CG GLU A 97 3.044 -17.322 5.082 1.00 1.75 C ATOM 1524 CD GLU A 97 1.565 -17.359 5.453 1.00 1.59 C ATOM 1525 OE1 GLU A 97 0.982 -16.299 5.775 1.00 2.47 O ATOM 1526 OE2 GLU A 97 1.000 -18.471 5.478 1.00 2.26 O ATOM 0 H GLU A 97 5.167 -15.237 5.563 1.00 1.37 H new ATOM 0 HA GLU A 97 5.135 -17.083 3.283 1.00 1.35 H new ATOM 0 HB2 GLU A 97 3.037 -15.251 4.524 1.00 1.43 H new ATOM 0 HB3 GLU A 97 2.745 -16.352 3.193 1.00 1.43 H new ATOM 0 HG2 GLU A 97 3.336 -18.279 4.650 1.00 1.75 H new ATOM 0 HG3 GLU A 97 3.643 -17.182 5.982 1.00 1.75 H new ATOM 1533 N GLU A 98 4.203 -14.987 1.613 1.00 1.27 N ATOM 1534 CA GLU A 98 4.198 -13.980 0.566 1.00 1.25 C ATOM 1535 C GLU A 98 2.762 -13.738 0.083 1.00 1.20 C ATOM 1536 O GLU A 98 1.946 -14.656 0.047 1.00 1.39 O ATOM 1537 CB GLU A 98 5.158 -14.422 -0.543 1.00 1.54 C ATOM 1538 CG GLU A 98 4.741 -15.732 -1.246 1.00 2.35 C ATOM 1539 CD GLU A 98 5.793 -16.242 -2.229 1.00 2.93 C ATOM 1540 OE1 GLU A 98 6.854 -15.591 -2.350 1.00 3.31 O ATOM 1541 OE2 GLU A 98 5.536 -17.296 -2.849 1.00 4.06 O ATOM 0 H GLU A 98 3.500 -15.712 1.466 1.00 1.27 H new ATOM 0 HA GLU A 98 4.555 -13.019 0.937 1.00 1.25 H new ATOM 0 HB2 GLU A 98 5.228 -13.628 -1.287 1.00 1.54 H new ATOM 0 HB3 GLU A 98 6.154 -14.550 -0.118 1.00 1.54 H new ATOM 0 HG2 GLU A 98 4.553 -16.498 -0.494 1.00 2.35 H new ATOM 0 HG3 GLU A 98 3.803 -15.570 -1.777 1.00 2.35 H new ATOM 1548 N VAL A 99 2.424 -12.485 -0.216 1.00 1.10 N ATOM 1549 CA VAL A 99 1.067 -12.026 -0.532 1.00 0.97 C ATOM 1550 C VAL A 99 0.996 -11.626 -1.996 1.00 1.02 C ATOM 1551 O VAL A 99 1.394 -10.525 -2.374 1.00 1.33 O ATOM 1552 CB VAL A 99 0.613 -10.854 0.368 1.00 0.96 C ATOM 1553 CG1 VAL A 99 -0.818 -10.396 0.038 1.00 0.92 C ATOM 1554 CG2 VAL A 99 0.657 -11.272 1.841 1.00 0.94 C ATOM 0 H VAL A 99 3.111 -11.732 -0.247 1.00 1.10 H new ATOM 0 HA VAL A 99 0.384 -12.853 -0.338 1.00 0.97 H new ATOM 0 HB VAL A 99 1.298 -10.027 0.182 1.00 0.96 H new ATOM 0 HG11 VAL A 99 -1.096 -9.571 0.694 1.00 0.92 H new ATOM 0 HG12 VAL A 99 -0.864 -10.066 -1.000 1.00 0.92 H new ATOM 0 HG13 VAL A 99 -1.509 -11.226 0.186 1.00 0.92 H new ATOM 0 HG21 VAL A 99 0.335 -10.439 2.465 1.00 0.94 H new ATOM 0 HG22 VAL A 99 -0.008 -12.121 1.998 1.00 0.94 H new ATOM 0 HG23 VAL A 99 1.675 -11.554 2.109 1.00 0.94 H new ATOM 1564 N GLU A 100 0.419 -12.528 -2.788 1.00 0.86 N ATOM 1565 CA GLU A 100 -0.142 -12.222 -4.106 1.00 0.94 C ATOM 1566 C GLU A 100 -1.177 -11.099 -3.980 1.00 0.93 C ATOM 1567 O GLU A 100 -2.081 -11.173 -3.146 1.00 1.03 O ATOM 1568 CB GLU A 100 -0.835 -13.477 -4.665 1.00 1.01 C ATOM 1569 CG GLU A 100 0.143 -14.450 -5.329 1.00 1.16 C ATOM 1570 CD GLU A 100 0.296 -14.135 -6.815 1.00 2.04 C ATOM 1571 OE1 GLU A 100 0.873 -13.085 -7.179 1.00 3.15 O ATOM 1572 OE2 GLU A 100 -0.217 -14.912 -7.648 1.00 2.74 O ATOM 0 H GLU A 100 0.326 -13.510 -2.529 1.00 0.86 H new ATOM 0 HA GLU A 100 0.660 -11.907 -4.774 1.00 0.94 H new ATOM 0 HB2 GLU A 100 -1.357 -13.989 -3.856 1.00 1.01 H new ATOM 0 HB3 GLU A 100 -1.590 -13.176 -5.391 1.00 1.01 H new ATOM 0 HG2 GLU A 100 1.114 -14.388 -4.838 1.00 1.16 H new ATOM 0 HG3 GLU A 100 -0.213 -15.473 -5.204 1.00 1.16 H new ATOM 1579 N LEU A 101 -1.073 -10.068 -4.823 1.00 1.02 N ATOM 1580 CA LEU A 101 -1.993 -8.932 -4.849 1.00 1.13 C ATOM 1581 C LEU A 101 -1.989 -8.247 -6.222 1.00 1.09 C ATOM 1582 O LEU A 101 -0.951 -7.938 -6.799 1.00 1.10 O ATOM 1583 CB LEU A 101 -1.652 -7.999 -3.668 1.00 1.34 C ATOM 1584 CG LEU A 101 -2.544 -6.775 -3.424 1.00 1.76 C ATOM 1585 CD1 LEU A 101 -2.313 -6.242 -1.999 1.00 2.09 C ATOM 1586 CD2 LEU A 101 -2.247 -5.675 -4.445 1.00 1.92 C ATOM 0 H LEU A 101 -0.331 -10.000 -5.520 1.00 1.02 H new ATOM 0 HA LEU A 101 -3.023 -9.263 -4.714 1.00 1.13 H new ATOM 0 HB2 LEU A 101 -1.656 -8.600 -2.758 1.00 1.34 H new ATOM 0 HB3 LEU A 101 -0.632 -7.643 -3.810 1.00 1.34 H new ATOM 0 HG LEU A 101 -3.586 -7.076 -3.536 1.00 1.76 H new ATOM 0 HD11 LEU A 101 -2.948 -5.373 -1.828 1.00 2.09 H new ATOM 0 HD12 LEU A 101 -2.560 -7.019 -1.275 1.00 2.09 H new ATOM 0 HD13 LEU A 101 -1.268 -5.956 -1.882 1.00 2.09 H new ATOM 0 HD21 LEU A 101 -2.891 -4.817 -4.253 1.00 1.92 H new ATOM 0 HD22 LEU A 101 -1.203 -5.372 -4.360 1.00 1.92 H new ATOM 0 HD23 LEU A 101 -2.435 -6.052 -5.451 1.00 1.92 H new ATOM 1598 N ASP A 102 -3.190 -8.012 -6.733 1.00 1.09 N ATOM 1599 CA ASP A 102 -3.506 -7.344 -7.987 1.00 1.07 C ATOM 1600 C ASP A 102 -3.538 -5.832 -7.792 1.00 0.94 C ATOM 1601 O ASP A 102 -4.566 -5.275 -7.407 1.00 1.04 O ATOM 1602 CB ASP A 102 -4.871 -7.856 -8.450 1.00 1.18 C ATOM 1603 CG ASP A 102 -4.822 -9.290 -8.964 1.00 1.37 C ATOM 1604 OD1 ASP A 102 -4.590 -10.183 -8.115 1.00 2.01 O ATOM 1605 OD2 ASP A 102 -5.122 -9.516 -10.154 1.00 2.28 O ATOM 0 H ASP A 102 -4.034 -8.307 -6.242 1.00 1.09 H new ATOM 0 HA ASP A 102 -2.745 -7.560 -8.737 1.00 1.07 H new ATOM 0 HB2 ASP A 102 -5.576 -7.796 -7.621 1.00 1.18 H new ATOM 0 HB3 ASP A 102 -5.249 -7.205 -9.238 1.00 1.18 H new ATOM 1610 N LEU A 103 -2.415 -5.159 -8.052 1.00 0.80 N ATOM 1611 CA LEU A 103 -2.353 -3.699 -8.049 1.00 0.72 C ATOM 1612 C LEU A 103 -3.158 -3.178 -9.245 1.00 0.66 C ATOM 1613 O LEU A 103 -2.886 -3.562 -10.382 1.00 0.70 O ATOM 1614 CB LEU A 103 -0.884 -3.241 -8.108 1.00 0.74 C ATOM 1615 CG LEU A 103 -0.043 -3.554 -6.855 1.00 0.96 C ATOM 1616 CD1 LEU A 103 1.420 -3.190 -7.136 1.00 1.10 C ATOM 1617 CD2 LEU A 103 -0.515 -2.766 -5.623 1.00 1.36 C ATOM 0 H LEU A 103 -1.527 -5.611 -8.270 1.00 0.80 H new ATOM 0 HA LEU A 103 -2.784 -3.295 -7.133 1.00 0.72 H new ATOM 0 HB2 LEU A 103 -0.409 -3.710 -8.970 1.00 0.74 H new ATOM 0 HB3 LEU A 103 -0.863 -2.165 -8.279 1.00 0.74 H new ATOM 0 HG LEU A 103 -0.156 -4.616 -6.638 1.00 0.96 H new ATOM 0 HD11 LEU A 103 2.025 -3.407 -6.256 1.00 1.10 H new ATOM 0 HD12 LEU A 103 1.785 -3.775 -7.980 1.00 1.10 H new ATOM 0 HD13 LEU A 103 1.492 -2.128 -7.372 1.00 1.10 H new ATOM 0 HD21 LEU A 103 0.109 -3.022 -4.767 1.00 1.36 H new ATOM 0 HD22 LEU A 103 -0.437 -1.697 -5.823 1.00 1.36 H new ATOM 0 HD23 LEU A 103 -1.552 -3.019 -5.404 1.00 1.36 H new ATOM 1629 N LEU A 104 -4.155 -2.327 -8.982 1.00 0.62 N ATOM 1630 CA LEU A 104 -5.123 -1.841 -9.971 1.00 0.62 C ATOM 1631 C LEU A 104 -4.711 -0.452 -10.469 1.00 0.56 C ATOM 1632 O LEU A 104 -4.504 0.449 -9.649 1.00 0.52 O ATOM 1633 CB LEU A 104 -6.529 -1.775 -9.333 1.00 0.64 C ATOM 1634 CG LEU A 104 -7.019 -3.012 -8.569 1.00 0.68 C ATOM 1635 CD1 LEU A 104 -8.447 -2.791 -8.049 1.00 0.72 C ATOM 1636 CD2 LEU A 104 -6.979 -4.291 -9.413 1.00 0.73 C ATOM 0 H LEU A 104 -4.315 -1.947 -8.049 1.00 0.62 H new ATOM 0 HA LEU A 104 -5.144 -2.527 -10.817 1.00 0.62 H new ATOM 0 HB2 LEU A 104 -6.548 -0.927 -8.648 1.00 0.64 H new ATOM 0 HB3 LEU A 104 -7.248 -1.562 -10.124 1.00 0.64 H new ATOM 0 HG LEU A 104 -6.332 -3.148 -7.734 1.00 0.68 H new ATOM 0 HD11 LEU A 104 -8.779 -3.678 -7.510 1.00 0.72 H new ATOM 0 HD12 LEU A 104 -8.461 -1.932 -7.378 1.00 0.72 H new ATOM 0 HD13 LEU A 104 -9.116 -2.606 -8.890 1.00 0.72 H new ATOM 0 HD21 LEU A 104 -7.337 -5.131 -8.818 1.00 0.73 H new ATOM 0 HD22 LEU A 104 -7.616 -4.169 -10.289 1.00 0.73 H new ATOM 0 HD23 LEU A 104 -5.955 -4.484 -9.733 1.00 0.73 H new ATOM 1648 N PHE A 105 -4.635 -0.232 -11.785 1.00 0.58 N ATOM 1649 CA PHE A 105 -4.132 1.027 -12.352 1.00 0.53 C ATOM 1650 C PHE A 105 -5.074 1.641 -13.396 1.00 0.61 C ATOM 1651 O PHE A 105 -5.310 1.052 -14.451 1.00 1.01 O ATOM 1652 CB PHE A 105 -2.761 0.809 -12.994 1.00 0.56 C ATOM 1653 CG PHE A 105 -1.672 0.279 -12.089 1.00 0.58 C ATOM 1654 CD1 PHE A 105 -1.512 -1.108 -11.911 1.00 1.90 C ATOM 1655 CD2 PHE A 105 -0.782 1.171 -11.464 1.00 1.53 C ATOM 1656 CE1 PHE A 105 -0.456 -1.597 -11.129 1.00 2.07 C ATOM 1657 CE2 PHE A 105 0.275 0.679 -10.681 1.00 1.47 C ATOM 1658 CZ PHE A 105 0.444 -0.707 -10.519 1.00 0.92 C ATOM 0 H PHE A 105 -4.918 -0.917 -12.486 1.00 0.58 H new ATOM 0 HA PHE A 105 -4.062 1.726 -11.519 1.00 0.53 H new ATOM 0 HB2 PHE A 105 -2.880 0.116 -13.827 1.00 0.56 H new ATOM 0 HB3 PHE A 105 -2.425 1.757 -13.413 1.00 0.56 H new ATOM 0 HD1 PHE A 105 -2.203 -1.795 -12.377 1.00 1.90 H new ATOM 0 HD2 PHE A 105 -0.912 2.236 -11.586 1.00 1.53 H new ATOM 0 HE1 PHE A 105 -0.334 -2.662 -10.995 1.00 2.07 H new ATOM 0 HE2 PHE A 105 0.958 1.366 -10.203 1.00 1.47 H new ATOM 0 HZ PHE A 105 1.264 -1.087 -9.927 1.00 0.92 H new ATOM 1668 N ALA A 106 -5.542 2.860 -13.097 1.00 0.55 N ATOM 1669 CA ALA A 106 -6.534 3.680 -13.817 1.00 0.66 C ATOM 1670 C ALA A 106 -7.515 2.907 -14.731 1.00 1.31 C ATOM 1671 O ALA A 106 -7.737 3.275 -15.887 1.00 2.02 O ATOM 1672 CB ALA A 106 -5.801 4.853 -14.481 1.00 1.13 C ATOM 0 H ALA A 106 -5.205 3.346 -12.266 1.00 0.55 H new ATOM 0 HA ALA A 106 -7.239 4.077 -13.087 1.00 0.66 H new ATOM 0 HB1 ALA A 106 -6.518 5.472 -15.019 1.00 1.13 H new ATOM 0 HB2 ALA A 106 -5.306 5.452 -13.717 1.00 1.13 H new ATOM 0 HB3 ALA A 106 -5.057 4.469 -15.179 1.00 1.13 H new ATOM 1678 N GLY A 107 -8.062 1.794 -14.220 1.00 1.91 N ATOM 1679 CA GLY A 107 -8.877 0.823 -14.962 1.00 2.77 C ATOM 1680 C GLY A 107 -8.063 -0.035 -15.938 1.00 2.15 C ATOM 1681 O GLY A 107 -8.102 -1.259 -15.870 1.00 3.13 O ATOM 0 H GLY A 107 -7.944 1.536 -13.240 1.00 1.91 H new ATOM 0 HA2 GLY A 107 -9.386 0.170 -14.253 1.00 2.77 H new ATOM 0 HA3 GLY A 107 -9.650 1.356 -15.516 1.00 2.77 H new ATOM 1685 N GLY A 108 -7.332 0.606 -16.857 1.00 1.36 N ATOM 1686 CA GLY A 108 -6.761 -0.027 -18.051 1.00 1.74 C ATOM 1687 C GLY A 108 -5.533 -0.923 -17.842 1.00 1.52 C ATOM 1688 O GLY A 108 -5.023 -1.437 -18.839 1.00 2.06 O ATOM 0 H GLY A 108 -7.116 1.601 -16.790 1.00 1.36 H new ATOM 0 HA2 GLY A 108 -7.540 -0.625 -18.524 1.00 1.74 H new ATOM 0 HA3 GLY A 108 -6.491 0.760 -18.756 1.00 1.74 H new ATOM 1692 N LYS A 109 -5.031 -1.101 -16.612 1.00 0.91 N ATOM 1693 CA LYS A 109 -4.008 -2.081 -16.215 1.00 0.75 C ATOM 1694 C LYS A 109 -4.342 -2.724 -14.850 1.00 0.74 C ATOM 1695 O LYS A 109 -4.860 -2.060 -13.958 1.00 0.82 O ATOM 1696 CB LYS A 109 -2.632 -1.377 -16.112 1.00 0.79 C ATOM 1697 CG LYS A 109 -1.549 -1.821 -17.105 1.00 1.30 C ATOM 1698 CD LYS A 109 -1.863 -1.628 -18.594 1.00 2.15 C ATOM 1699 CE LYS A 109 -2.154 -0.158 -18.936 1.00 2.90 C ATOM 1700 NZ LYS A 109 -2.944 -0.041 -20.187 1.00 3.94 N ATOM 0 H LYS A 109 -5.344 -0.535 -15.824 1.00 0.91 H new ATOM 0 HA LYS A 109 -3.982 -2.865 -16.972 1.00 0.75 H new ATOM 0 HB2 LYS A 109 -2.789 -0.306 -16.238 1.00 0.79 H new ATOM 0 HB3 LYS A 109 -2.249 -1.527 -15.103 1.00 0.79 H new ATOM 0 HG2 LYS A 109 -0.633 -1.276 -16.876 1.00 1.30 H new ATOM 0 HG3 LYS A 109 -1.343 -2.878 -16.934 1.00 1.30 H new ATOM 0 HD2 LYS A 109 -1.021 -1.979 -19.190 1.00 2.15 H new ATOM 0 HD3 LYS A 109 -2.723 -2.240 -18.865 1.00 2.15 H new ATOM 0 HE2 LYS A 109 -2.699 0.308 -18.115 1.00 2.90 H new ATOM 0 HE3 LYS A 109 -1.215 0.385 -19.044 1.00 2.90 H new ATOM 0 HZ1 LYS A 109 -3.081 0.964 -20.419 1.00 3.94 H new ATOM 0 HZ2 LYS A 109 -2.435 -0.509 -20.964 1.00 3.94 H new ATOM 0 HZ3 LYS A 109 -3.870 -0.495 -20.056 1.00 3.94 H new ATOM 1714 N VAL A 110 -3.918 -3.969 -14.649 1.00 0.81 N ATOM 1715 CA VAL A 110 -3.862 -4.662 -13.362 1.00 0.87 C ATOM 1716 C VAL A 110 -2.639 -5.580 -13.341 1.00 0.97 C ATOM 1717 O VAL A 110 -2.320 -6.187 -14.365 1.00 1.06 O ATOM 1718 CB VAL A 110 -5.172 -5.430 -13.084 1.00 0.98 C ATOM 1719 CG1 VAL A 110 -5.641 -6.302 -14.260 1.00 1.11 C ATOM 1720 CG2 VAL A 110 -5.074 -6.286 -11.814 1.00 1.08 C ATOM 0 H VAL A 110 -3.587 -4.552 -15.417 1.00 0.81 H new ATOM 0 HA VAL A 110 -3.760 -3.932 -12.559 1.00 0.87 H new ATOM 0 HB VAL A 110 -5.923 -4.654 -12.939 1.00 0.98 H new ATOM 0 HG11 VAL A 110 -6.567 -6.810 -13.990 1.00 1.11 H new ATOM 0 HG12 VAL A 110 -5.814 -5.673 -15.133 1.00 1.11 H new ATOM 0 HG13 VAL A 110 -4.875 -7.042 -14.492 1.00 1.11 H new ATOM 0 HG21 VAL A 110 -6.017 -6.810 -11.655 1.00 1.08 H new ATOM 0 HG22 VAL A 110 -4.269 -7.013 -11.926 1.00 1.08 H new ATOM 0 HG23 VAL A 110 -4.866 -5.644 -10.958 1.00 1.08 H new ATOM 1730 N LEU A 111 -1.938 -5.639 -12.205 1.00 1.03 N ATOM 1731 CA LEU A 111 -0.720 -6.425 -12.026 1.00 1.17 C ATOM 1732 C LEU A 111 -0.818 -7.260 -10.744 1.00 1.37 C ATOM 1733 O LEU A 111 -0.635 -6.759 -9.639 1.00 1.32 O ATOM 1734 CB LEU A 111 0.513 -5.493 -12.001 1.00 1.23 C ATOM 1735 CG LEU A 111 0.771 -4.667 -13.281 1.00 1.27 C ATOM 1736 CD1 LEU A 111 1.952 -3.711 -13.051 1.00 1.66 C ATOM 1737 CD2 LEU A 111 1.097 -5.553 -14.495 1.00 1.57 C ATOM 0 H LEU A 111 -2.211 -5.128 -11.366 1.00 1.03 H new ATOM 0 HA LEU A 111 -0.605 -7.111 -12.865 1.00 1.17 H new ATOM 0 HB2 LEU A 111 0.404 -4.803 -11.164 1.00 1.23 H new ATOM 0 HB3 LEU A 111 1.396 -6.099 -11.801 1.00 1.23 H new ATOM 0 HG LEU A 111 -0.145 -4.117 -13.494 1.00 1.27 H new ATOM 0 HD11 LEU A 111 2.131 -3.130 -13.956 1.00 1.66 H new ATOM 0 HD12 LEU A 111 1.719 -3.037 -12.227 1.00 1.66 H new ATOM 0 HD13 LEU A 111 2.844 -4.287 -12.807 1.00 1.66 H new ATOM 0 HD21 LEU A 111 1.270 -4.924 -15.368 1.00 1.57 H new ATOM 0 HD22 LEU A 111 1.992 -6.140 -14.287 1.00 1.57 H new ATOM 0 HD23 LEU A 111 0.261 -6.224 -14.691 1.00 1.57 H new ATOM 1749 N LYS A 112 -1.055 -8.560 -10.912 1.00 1.77 N ATOM 1750 CA LYS A 112 -1.024 -9.566 -9.847 1.00 2.01 C ATOM 1751 C LYS A 112 0.431 -9.838 -9.413 1.00 2.13 C ATOM 1752 O LYS A 112 1.089 -10.721 -9.972 1.00 2.70 O ATOM 1753 CB LYS A 112 -1.731 -10.818 -10.393 1.00 2.26 C ATOM 1754 CG LYS A 112 -1.859 -11.936 -9.345 1.00 2.44 C ATOM 1755 CD LYS A 112 -1.869 -13.331 -9.985 1.00 2.17 C ATOM 1756 CE LYS A 112 -0.567 -13.687 -10.725 1.00 2.06 C ATOM 1757 NZ LYS A 112 0.622 -13.542 -9.852 1.00 2.79 N ATOM 0 H LYS A 112 -1.282 -8.957 -11.824 1.00 1.77 H new ATOM 0 HA LYS A 112 -1.542 -9.226 -8.950 1.00 2.01 H new ATOM 0 HB2 LYS A 112 -2.725 -10.543 -10.747 1.00 2.26 H new ATOM 0 HB3 LYS A 112 -1.179 -11.195 -11.254 1.00 2.26 H new ATOM 0 HG2 LYS A 112 -1.031 -11.867 -8.640 1.00 2.44 H new ATOM 0 HG3 LYS A 112 -2.776 -11.793 -8.774 1.00 2.44 H new ATOM 0 HD2 LYS A 112 -2.049 -14.075 -9.209 1.00 2.17 H new ATOM 0 HD3 LYS A 112 -2.702 -13.393 -10.685 1.00 2.17 H new ATOM 0 HE2 LYS A 112 -0.626 -14.712 -11.091 1.00 2.06 H new ATOM 0 HE3 LYS A 112 -0.458 -13.043 -11.598 1.00 2.06 H new ATOM 0 HZ1 LYS A 112 1.340 -14.243 -10.125 1.00 2.79 H new ATOM 0 HZ2 LYS A 112 1.015 -12.585 -9.957 1.00 2.79 H new ATOM 0 HZ3 LYS A 112 0.346 -13.697 -8.861 1.00 2.79 H new ATOM 1771 N VAL A 113 0.934 -9.072 -8.445 1.00 1.70 N ATOM 1772 CA VAL A 113 2.321 -9.132 -7.950 1.00 1.69 C ATOM 1773 C VAL A 113 2.369 -9.611 -6.501 1.00 1.34 C ATOM 1774 O VAL A 113 1.550 -9.217 -5.678 1.00 1.29 O ATOM 1775 CB VAL A 113 3.064 -7.783 -8.085 1.00 1.94 C ATOM 1776 CG1 VAL A 113 3.271 -7.433 -9.567 1.00 2.59 C ATOM 1777 CG2 VAL A 113 2.381 -6.604 -7.370 1.00 1.98 C ATOM 0 H VAL A 113 0.374 -8.368 -7.964 1.00 1.70 H new ATOM 0 HA VAL A 113 2.837 -9.854 -8.583 1.00 1.69 H new ATOM 0 HB VAL A 113 4.021 -7.930 -7.585 1.00 1.94 H new ATOM 0 HG11 VAL A 113 3.795 -6.481 -9.646 1.00 2.59 H new ATOM 0 HG12 VAL A 113 3.862 -8.214 -10.046 1.00 2.59 H new ATOM 0 HG13 VAL A 113 2.303 -7.356 -10.061 1.00 2.59 H new ATOM 0 HG21 VAL A 113 2.970 -5.699 -7.517 1.00 1.98 H new ATOM 0 HG22 VAL A 113 1.382 -6.458 -7.782 1.00 1.98 H new ATOM 0 HG23 VAL A 113 2.306 -6.819 -6.304 1.00 1.98 H new ATOM 1787 N VAL A 114 3.362 -10.445 -6.207 1.00 1.60 N ATOM 1788 CA VAL A 114 3.607 -11.065 -4.903 1.00 1.41 C ATOM 1789 C VAL A 114 4.723 -10.328 -4.146 1.00 1.37 C ATOM 1790 O VAL A 114 5.769 -10.031 -4.723 1.00 1.68 O ATOM 1791 CB VAL A 114 3.892 -12.576 -5.077 1.00 1.71 C ATOM 1792 CG1 VAL A 114 5.054 -12.889 -6.041 1.00 1.82 C ATOM 1793 CG2 VAL A 114 4.141 -13.255 -3.731 1.00 2.22 C ATOM 0 H VAL A 114 4.053 -10.722 -6.904 1.00 1.60 H new ATOM 0 HA VAL A 114 2.711 -10.976 -4.288 1.00 1.41 H new ATOM 0 HB VAL A 114 2.988 -12.982 -5.531 1.00 1.71 H new ATOM 0 HG11 VAL A 114 5.190 -13.968 -6.108 1.00 1.82 H new ATOM 0 HG12 VAL A 114 4.825 -12.490 -7.029 1.00 1.82 H new ATOM 0 HG13 VAL A 114 5.970 -12.430 -5.668 1.00 1.82 H new ATOM 0 HG21 VAL A 114 4.338 -14.315 -3.889 1.00 2.22 H new ATOM 0 HG22 VAL A 114 5.001 -12.795 -3.245 1.00 2.22 H new ATOM 0 HG23 VAL A 114 3.262 -13.140 -3.097 1.00 2.22 H new ATOM 1803 N LEU A 115 4.498 -10.027 -2.858 1.00 1.21 N ATOM 1804 CA LEU A 115 5.500 -9.448 -1.938 1.00 1.31 C ATOM 1805 C LEU A 115 5.508 -10.188 -0.578 1.00 1.22 C ATOM 1806 O LEU A 115 4.453 -10.674 -0.162 1.00 1.24 O ATOM 1807 CB LEU A 115 5.249 -7.939 -1.717 1.00 1.58 C ATOM 1808 CG LEU A 115 5.322 -7.058 -2.988 1.00 1.95 C ATOM 1809 CD1 LEU A 115 3.921 -6.768 -3.555 1.00 2.75 C ATOM 1810 CD2 LEU A 115 6.031 -5.732 -2.670 1.00 1.84 C ATOM 0 H LEU A 115 3.594 -10.182 -2.412 1.00 1.21 H new ATOM 0 HA LEU A 115 6.477 -9.573 -2.405 1.00 1.31 H new ATOM 0 HB2 LEU A 115 4.265 -7.814 -1.266 1.00 1.58 H new ATOM 0 HB3 LEU A 115 5.979 -7.569 -0.997 1.00 1.58 H new ATOM 0 HG LEU A 115 5.888 -7.608 -3.740 1.00 1.95 H new ATOM 0 HD11 LEU A 115 4.011 -6.147 -4.446 1.00 2.75 H new ATOM 0 HD12 LEU A 115 3.432 -7.707 -3.814 1.00 2.75 H new ATOM 0 HD13 LEU A 115 3.327 -6.244 -2.806 1.00 2.75 H new ATOM 0 HD21 LEU A 115 6.077 -5.119 -3.570 1.00 1.84 H new ATOM 0 HD22 LEU A 115 5.477 -5.200 -1.897 1.00 1.84 H new ATOM 0 HD23 LEU A 115 7.042 -5.935 -2.317 1.00 1.84 H new ATOM 1822 N PRO A 116 6.650 -10.268 0.137 1.00 1.26 N ATOM 1823 CA PRO A 116 6.760 -11.036 1.376 1.00 1.25 C ATOM 1824 C PRO A 116 5.871 -10.499 2.507 1.00 1.21 C ATOM 1825 O PRO A 116 5.585 -9.305 2.601 1.00 1.20 O ATOM 1826 CB PRO A 116 8.245 -11.010 1.757 1.00 1.30 C ATOM 1827 CG PRO A 116 8.769 -9.750 1.074 1.00 1.39 C ATOM 1828 CD PRO A 116 7.951 -9.712 -0.213 1.00 1.35 C ATOM 0 HA PRO A 116 6.402 -12.053 1.219 1.00 1.25 H new ATOM 0 HB2 PRO A 116 8.381 -10.966 2.838 1.00 1.30 H new ATOM 0 HB3 PRO A 116 8.765 -11.902 1.406 1.00 1.30 H new ATOM 0 HG2 PRO A 116 8.609 -8.861 1.684 1.00 1.39 H new ATOM 0 HG3 PRO A 116 9.839 -9.811 0.874 1.00 1.39 H new ATOM 0 HD2 PRO A 116 7.855 -8.693 -0.587 1.00 1.35 H new ATOM 0 HD3 PRO A 116 8.429 -10.296 -0.999 1.00 1.35 H new ATOM 1836 N VAL A 117 5.465 -11.402 3.402 1.00 1.24 N ATOM 1837 CA VAL A 117 4.885 -11.091 4.707 1.00 1.20 C ATOM 1838 C VAL A 117 6.012 -10.833 5.706 1.00 1.29 C ATOM 1839 O VAL A 117 6.948 -11.629 5.811 1.00 1.48 O ATOM 1840 CB VAL A 117 4.011 -12.257 5.217 1.00 1.19 C ATOM 1841 CG1 VAL A 117 3.551 -12.022 6.659 1.00 1.21 C ATOM 1842 CG2 VAL A 117 2.771 -12.441 4.341 1.00 1.14 C ATOM 0 H VAL A 117 5.534 -12.405 3.230 1.00 1.24 H new ATOM 0 HA VAL A 117 4.256 -10.207 4.606 1.00 1.20 H new ATOM 0 HB VAL A 117 4.630 -13.153 5.173 1.00 1.19 H new ATOM 0 HG11 VAL A 117 2.938 -12.862 6.987 1.00 1.21 H new ATOM 0 HG12 VAL A 117 4.422 -11.933 7.309 1.00 1.21 H new ATOM 0 HG13 VAL A 117 2.966 -11.104 6.709 1.00 1.21 H new ATOM 0 HG21 VAL A 117 2.175 -13.269 4.724 1.00 1.14 H new ATOM 0 HG22 VAL A 117 2.176 -11.528 4.356 1.00 1.14 H new ATOM 0 HG23 VAL A 117 3.077 -12.658 3.318 1.00 1.14 H new ATOM 1852 N GLU A 118 5.875 -9.771 6.499 1.00 1.20 N ATOM 1853 CA GLU A 118 6.757 -9.470 7.626 1.00 1.21 C ATOM 1854 C GLU A 118 5.924 -9.004 8.835 1.00 1.26 C ATOM 1855 O GLU A 118 4.780 -8.576 8.676 1.00 1.38 O ATOM 1856 CB GLU A 118 7.777 -8.410 7.198 1.00 1.29 C ATOM 1857 CG GLU A 118 9.094 -8.492 7.971 1.00 1.54 C ATOM 1858 CD GLU A 118 9.738 -7.117 8.032 1.00 2.30 C ATOM 1859 OE1 GLU A 118 9.984 -6.500 6.979 1.00 3.42 O ATOM 1860 OE2 GLU A 118 9.895 -6.587 9.148 1.00 2.84 O ATOM 0 H GLU A 118 5.133 -9.082 6.374 1.00 1.20 H new ATOM 0 HA GLU A 118 7.300 -10.366 7.927 1.00 1.21 H new ATOM 0 HB2 GLU A 118 7.981 -8.521 6.133 1.00 1.29 H new ATOM 0 HB3 GLU A 118 7.343 -7.420 7.338 1.00 1.29 H new ATOM 0 HG2 GLU A 118 8.913 -8.864 8.979 1.00 1.54 H new ATOM 0 HG3 GLU A 118 9.768 -9.199 7.487 1.00 1.54 H new ATOM 1867 N ALA A 119 6.475 -9.123 10.045 1.00 1.42 N ATOM 1868 CA ALA A 119 5.759 -8.873 11.296 1.00 1.64 C ATOM 1869 C ALA A 119 6.237 -7.572 11.954 1.00 1.65 C ATOM 1870 O ALA A 119 7.375 -7.502 12.418 1.00 2.22 O ATOM 1871 CB ALA A 119 5.970 -10.084 12.213 1.00 2.13 C ATOM 0 H ALA A 119 7.447 -9.400 10.184 1.00 1.42 H new ATOM 0 HA ALA A 119 4.694 -8.745 11.101 1.00 1.64 H new ATOM 0 HB1 ALA A 119 5.445 -9.923 13.155 1.00 2.13 H new ATOM 0 HB2 ALA A 119 5.580 -10.979 11.729 1.00 2.13 H new ATOM 0 HB3 ALA A 119 7.035 -10.212 12.408 1.00 2.13 H new ATOM 1877 N ARG A 120 5.364 -6.559 12.014 1.00 1.77 N ATOM 1878 CA ARG A 120 5.598 -5.277 12.709 1.00 2.15 C ATOM 1879 C ARG A 120 4.310 -4.740 13.333 1.00 2.89 C ATOM 1880 O ARG A 120 4.327 -3.605 13.844 1.00 2.83 O ATOM 1881 CB ARG A 120 6.219 -4.234 11.752 1.00 2.19 C ATOM 1882 CG ARG A 120 7.541 -4.668 11.098 1.00 2.39 C ATOM 1883 CD ARG A 120 8.220 -3.493 10.385 1.00 2.49 C ATOM 1884 NE ARG A 120 9.230 -3.977 9.438 1.00 3.01 N ATOM 1885 CZ ARG A 120 9.914 -3.308 8.546 1.00 4.02 C ATOM 1886 NH1 ARG A 120 9.926 -2.004 8.536 1.00 4.69 N ATOM 1887 NH2 ARG A 120 10.584 -3.932 7.630 1.00 5.33 N ATOM 1888 OXT ARG A 120 3.242 -5.380 13.190 1.00 4.01 O ATOM 0 H ARG A 120 4.447 -6.605 11.569 1.00 1.77 H new ATOM 0 HA ARG A 120 6.307 -5.464 13.515 1.00 2.15 H new ATOM 0 HB2 ARG A 120 5.498 -4.007 10.966 1.00 2.19 H new ATOM 0 HB3 ARG A 120 6.389 -3.310 12.305 1.00 2.19 H new ATOM 0 HG2 ARG A 120 8.210 -5.071 11.858 1.00 2.39 H new ATOM 0 HG3 ARG A 120 7.350 -5.469 10.384 1.00 2.39 H new ATOM 0 HD2 ARG A 120 7.473 -2.901 9.857 1.00 2.49 H new ATOM 0 HD3 ARG A 120 8.687 -2.836 11.119 1.00 2.49 H new ATOM 0 HE ARG A 120 9.427 -4.977 9.481 1.00 3.01 H new ATOM 0 HH11 ARG A 120 9.394 -1.484 9.234 1.00 4.69 H new ATOM 0 HH12 ARG A 120 10.467 -1.504 7.830 1.00 4.69 H new ATOM 0 HH21 ARG A 120 10.581 -4.952 7.601 1.00 5.33 H new ATOM 0 HH22 ARG A 120 11.115 -3.404 6.938 1.00 5.33 H new