USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=18 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 83 HIS : no HE2:sc= -0.0103 X(o=-1.1,f=-0.8) USER MOD Set 1.2: A 85 MET CE :methyl -167:sc= -1.06 (180deg=-1.21) USER MOD Set 2.1: A 48 THR OG1 : rot 167:sc= 1.21 USER MOD Set 2.2: A 61 MET CE :methyl 158:sc= 0 (180deg=-0.519) USER MOD Single : A 11 SER OG : rot -152:sc= 1 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot -107:sc= 1.29 USER MOD Single : A 24 ASN : amide:sc= -0.474 K(o=-0.47,f=-4.2!) USER MOD Single : A 37 THR OG1 : rot 86:sc= 1.45 USER MOD Single : A 46 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-3!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -138:sc= 0.419 (180deg=-1.53!) USER MOD Single : A 57 LYS NZ :NH3+ -129:sc= 0.38 (180deg=-0.518!) USER MOD Single : A 59 MET CE :methyl -157:sc= -0.0559 (180deg=-0.571) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0.572 (180deg=0.0438!) USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= 1.28 (180deg=0.368) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -167:sc= -0.236 (180deg=-0.64) USER MOD Single : A 94 LYS NZ :NH3+ -137:sc= 0.274 (180deg=-1.9!) USER MOD Single : A 109 LYS NZ :NH3+ -148:sc= 1.07 (180deg=0.327) USER MOD Single : A 112 LYS NZ :NH3+ -105:sc= 0.649 (180deg=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 10.470 -4.723 -3.502 1.00 2.87 N ATOM 56 CA GLU A 5 11.041 -5.122 -2.216 1.00 1.74 C ATOM 57 C GLU A 5 10.136 -4.677 -1.046 1.00 1.41 C ATOM 58 O GLU A 5 10.610 -4.283 0.016 1.00 2.24 O ATOM 59 CB GLU A 5 12.507 -4.636 -2.111 1.00 2.09 C ATOM 60 CG GLU A 5 12.737 -3.124 -2.300 1.00 3.06 C ATOM 61 CD GLU A 5 13.018 -2.719 -3.750 1.00 4.56 C ATOM 62 OE1 GLU A 5 12.086 -2.564 -4.561 1.00 5.49 O ATOM 63 OE2 GLU A 5 14.179 -2.417 -4.114 1.00 5.54 O ATOM 0 HA GLU A 5 11.077 -6.209 -2.149 1.00 1.74 H new ATOM 0 HB2 GLU A 5 12.894 -4.922 -1.133 1.00 2.09 H new ATOM 0 HB3 GLU A 5 13.099 -5.168 -2.856 1.00 2.09 H new ATOM 0 HG2 GLU A 5 11.858 -2.585 -1.946 1.00 3.06 H new ATOM 0 HG3 GLU A 5 13.575 -2.812 -1.676 1.00 3.06 H new ATOM 70 N GLY A 6 8.811 -4.730 -1.248 1.00 1.21 N ATOM 71 CA GLY A 6 7.800 -4.337 -0.254 1.00 0.95 C ATOM 72 C GLY A 6 7.558 -5.404 0.823 1.00 0.86 C ATOM 73 O GLY A 6 8.067 -6.516 0.718 1.00 0.98 O ATOM 0 H GLY A 6 8.403 -5.054 -2.125 1.00 1.21 H new ATOM 0 HA2 GLY A 6 8.115 -3.411 0.227 1.00 0.95 H new ATOM 0 HA3 GLY A 6 6.860 -4.128 -0.765 1.00 0.95 H new ATOM 77 N TRP A 7 6.733 -5.086 1.829 1.00 0.79 N ATOM 78 CA TRP A 7 6.461 -5.943 2.995 1.00 0.79 C ATOM 79 C TRP A 7 5.085 -5.638 3.632 1.00 0.83 C ATOM 80 O TRP A 7 4.557 -4.538 3.493 1.00 0.86 O ATOM 81 CB TRP A 7 7.580 -5.749 4.032 1.00 1.08 C ATOM 82 CG TRP A 7 7.626 -4.389 4.656 1.00 1.36 C ATOM 83 CD1 TRP A 7 7.017 -4.061 5.815 1.00 1.58 C ATOM 84 CD2 TRP A 7 8.223 -3.151 4.153 1.00 1.57 C ATOM 85 NE1 TRP A 7 7.199 -2.719 6.075 1.00 1.88 N ATOM 86 CE2 TRP A 7 7.905 -2.100 5.065 1.00 1.90 C ATOM 87 CE3 TRP A 7 8.980 -2.800 3.013 1.00 1.62 C ATOM 88 CZ2 TRP A 7 8.288 -0.767 4.844 1.00 2.23 C ATOM 89 CZ3 TRP A 7 9.363 -1.466 2.776 1.00 1.99 C ATOM 90 CH2 TRP A 7 9.017 -0.449 3.686 1.00 2.27 C ATOM 0 H TRP A 7 6.222 -4.204 1.857 1.00 0.79 H new ATOM 0 HA TRP A 7 6.435 -6.979 2.658 1.00 0.79 H new ATOM 0 HB2 TRP A 7 7.459 -6.492 4.821 1.00 1.08 H new ATOM 0 HB3 TRP A 7 8.539 -5.947 3.553 1.00 1.08 H new ATOM 0 HD1 TRP A 7 6.469 -4.747 6.444 1.00 1.58 H new ATOM 0 HE1 TRP A 7 6.855 -2.244 6.909 1.00 1.88 H new ATOM 0 HE3 TRP A 7 9.270 -3.568 2.311 1.00 1.62 H new ATOM 0 HZ2 TRP A 7 8.026 0.003 5.554 1.00 2.23 H new ATOM 0 HZ3 TRP A 7 9.927 -1.221 1.888 1.00 1.99 H new ATOM 0 HH2 TRP A 7 9.311 0.572 3.494 1.00 2.27 H new ATOM 101 N VAL A 8 4.520 -6.582 4.390 1.00 1.06 N ATOM 102 CA VAL A 8 3.242 -6.406 5.121 1.00 1.25 C ATOM 103 C VAL A 8 3.512 -6.427 6.629 1.00 1.46 C ATOM 104 O VAL A 8 4.413 -7.137 7.076 1.00 1.65 O ATOM 105 CB VAL A 8 2.222 -7.492 4.699 1.00 1.35 C ATOM 106 CG1 VAL A 8 0.950 -7.506 5.560 1.00 1.57 C ATOM 107 CG2 VAL A 8 1.801 -7.262 3.242 1.00 1.27 C ATOM 0 H VAL A 8 4.935 -7.505 4.521 1.00 1.06 H new ATOM 0 HA VAL A 8 2.803 -5.441 4.868 1.00 1.25 H new ATOM 0 HB VAL A 8 2.726 -8.449 4.832 1.00 1.35 H new ATOM 0 HG11 VAL A 8 0.281 -8.291 5.208 1.00 1.57 H new ATOM 0 HG12 VAL A 8 1.217 -7.696 6.600 1.00 1.57 H new ATOM 0 HG13 VAL A 8 0.449 -6.541 5.484 1.00 1.57 H new ATOM 0 HG21 VAL A 8 1.083 -8.027 2.946 1.00 1.27 H new ATOM 0 HG22 VAL A 8 1.343 -6.278 3.147 1.00 1.27 H new ATOM 0 HG23 VAL A 8 2.678 -7.318 2.597 1.00 1.27 H new ATOM 117 N ARG A 9 2.754 -5.662 7.433 1.00 1.45 N ATOM 118 CA ARG A 9 2.924 -5.742 8.890 1.00 1.41 C ATOM 119 C ARG A 9 2.264 -6.999 9.470 1.00 1.38 C ATOM 120 O ARG A 9 1.125 -7.315 9.153 1.00 1.56 O ATOM 121 CB ARG A 9 2.392 -4.511 9.652 1.00 1.53 C ATOM 122 CG ARG A 9 3.478 -3.986 10.611 1.00 2.27 C ATOM 123 CD ARG A 9 2.918 -3.192 11.799 1.00 2.79 C ATOM 124 NE ARG A 9 2.796 -4.043 13.003 1.00 3.04 N ATOM 125 CZ ARG A 9 3.700 -4.141 13.979 1.00 4.15 C ATOM 126 NH1 ARG A 9 4.866 -3.534 13.939 1.00 5.33 N ATOM 127 NH2 ARG A 9 3.444 -4.881 15.038 1.00 4.88 N ATOM 0 H ARG A 9 2.043 -5.005 7.113 1.00 1.45 H new ATOM 0 HA ARG A 9 4.004 -5.782 9.035 1.00 1.41 H new ATOM 0 HB2 ARG A 9 2.107 -3.730 8.947 1.00 1.53 H new ATOM 0 HB3 ARG A 9 1.496 -4.777 10.212 1.00 1.53 H new ATOM 0 HG2 ARG A 9 4.056 -4.830 10.989 1.00 2.27 H new ATOM 0 HG3 ARG A 9 4.167 -3.352 10.054 1.00 2.27 H new ATOM 0 HD2 ARG A 9 3.570 -2.346 12.014 1.00 2.79 H new ATOM 0 HD3 ARG A 9 1.941 -2.784 11.539 1.00 2.79 H new ATOM 0 HE ARG A 9 1.948 -4.603 13.095 1.00 3.04 H new ATOM 0 HH11 ARG A 9 5.113 -2.956 13.135 1.00 5.33 H new ATOM 0 HH12 ARG A 9 5.523 -3.641 14.712 1.00 5.33 H new ATOM 0 HH21 ARG A 9 2.556 -5.378 15.111 1.00 4.88 H new ATOM 0 HH22 ARG A 9 4.134 -4.957 15.786 1.00 4.88 H new ATOM 141 N PHE A 10 2.938 -7.620 10.433 1.00 1.80 N ATOM 142 CA PHE A 10 2.370 -8.551 11.395 1.00 1.88 C ATOM 143 C PHE A 10 1.079 -7.992 12.002 1.00 1.42 C ATOM 144 O PHE A 10 1.069 -6.894 12.568 1.00 1.79 O ATOM 145 CB PHE A 10 3.401 -8.823 12.498 1.00 2.65 C ATOM 146 CG PHE A 10 2.825 -9.525 13.713 1.00 2.64 C ATOM 147 CD1 PHE A 10 2.600 -10.910 13.691 1.00 2.21 C ATOM 148 CD2 PHE A 10 2.426 -8.773 14.834 1.00 3.71 C ATOM 149 CE1 PHE A 10 1.968 -11.543 14.777 1.00 2.21 C ATOM 150 CE2 PHE A 10 1.789 -9.399 15.917 1.00 3.74 C ATOM 151 CZ PHE A 10 1.557 -10.784 15.887 1.00 2.67 C ATOM 0 H PHE A 10 3.939 -7.480 10.568 1.00 1.80 H new ATOM 0 HA PHE A 10 2.123 -9.482 10.885 1.00 1.88 H new ATOM 0 HB2 PHE A 10 4.207 -9.430 12.087 1.00 2.65 H new ATOM 0 HB3 PHE A 10 3.842 -7.877 12.812 1.00 2.65 H new ATOM 0 HD1 PHE A 10 2.913 -11.492 12.837 1.00 2.21 H new ATOM 0 HD2 PHE A 10 2.611 -7.709 14.861 1.00 3.71 H new ATOM 0 HE1 PHE A 10 1.799 -12.610 14.758 1.00 2.21 H new ATOM 0 HE2 PHE A 10 1.478 -8.817 16.772 1.00 3.74 H new ATOM 0 HZ PHE A 10 1.063 -11.266 16.717 1.00 2.67 H new ATOM 161 N SER A 11 0.027 -8.798 11.931 1.00 1.11 N ATOM 162 CA SER A 11 -1.308 -8.548 12.470 1.00 1.19 C ATOM 163 C SER A 11 -2.187 -9.799 12.286 1.00 1.38 C ATOM 164 O SER A 11 -2.619 -10.083 11.165 1.00 1.60 O ATOM 165 CB SER A 11 -1.991 -7.344 11.797 1.00 1.68 C ATOM 166 OG SER A 11 -3.235 -7.102 12.437 1.00 2.74 O ATOM 0 H SER A 11 0.085 -9.704 11.465 1.00 1.11 H new ATOM 0 HA SER A 11 -1.193 -8.318 13.529 1.00 1.19 H new ATOM 0 HB2 SER A 11 -1.354 -6.462 11.866 1.00 1.68 H new ATOM 0 HB3 SER A 11 -2.145 -7.543 10.736 1.00 1.68 H new ATOM 0 HG SER A 11 -3.855 -6.687 11.801 1.00 2.74 H new ATOM 172 N PRO A 12 -2.468 -10.555 13.364 1.00 1.58 N ATOM 173 CA PRO A 12 -3.436 -11.646 13.363 1.00 1.97 C ATOM 174 C PRO A 12 -4.858 -11.147 13.689 1.00 1.95 C ATOM 175 O PRO A 12 -5.696 -11.931 14.128 1.00 2.80 O ATOM 176 CB PRO A 12 -2.891 -12.616 14.417 1.00 2.39 C ATOM 177 CG PRO A 12 -2.341 -11.665 15.479 1.00 2.18 C ATOM 178 CD PRO A 12 -1.789 -10.503 14.652 1.00 1.67 C ATOM 0 HA PRO A 12 -3.541 -12.121 12.388 1.00 1.97 H new ATOM 0 HB2 PRO A 12 -3.671 -13.264 14.816 1.00 2.39 H new ATOM 0 HB3 PRO A 12 -2.115 -13.265 14.011 1.00 2.39 H new ATOM 0 HG2 PRO A 12 -3.119 -11.336 16.167 1.00 2.18 H new ATOM 0 HG3 PRO A 12 -1.564 -12.137 16.079 1.00 2.18 H new ATOM 0 HD2 PRO A 12 -1.973 -9.551 15.150 1.00 1.67 H new ATOM 0 HD3 PRO A 12 -0.710 -10.594 14.526 1.00 1.67 H new ATOM 186 N GLY A 13 -5.115 -9.840 13.538 1.00 1.36 N ATOM 187 CA GLY A 13 -6.349 -9.177 13.959 1.00 1.29 C ATOM 188 C GLY A 13 -7.422 -9.109 12.858 1.00 1.08 C ATOM 189 O GLY A 13 -7.332 -9.808 11.850 1.00 1.31 O ATOM 0 H GLY A 13 -4.448 -9.200 13.107 1.00 1.36 H new ATOM 0 HA2 GLY A 13 -6.758 -9.704 14.821 1.00 1.29 H new ATOM 0 HA3 GLY A 13 -6.113 -8.165 14.287 1.00 1.29 H new ATOM 193 N PRO A 14 -8.460 -8.266 13.039 1.00 1.01 N ATOM 194 CA PRO A 14 -9.530 -8.097 12.057 1.00 1.12 C ATOM 195 C PRO A 14 -9.080 -7.300 10.823 1.00 0.89 C ATOM 196 O PRO A 14 -9.723 -7.390 9.780 1.00 1.11 O ATOM 197 CB PRO A 14 -10.645 -7.369 12.812 1.00 1.43 C ATOM 198 CG PRO A 14 -9.885 -6.526 13.833 1.00 1.44 C ATOM 199 CD PRO A 14 -8.698 -7.417 14.202 1.00 1.25 C ATOM 0 HA PRO A 14 -9.854 -9.059 11.661 1.00 1.12 H new ATOM 0 HB2 PRO A 14 -11.244 -6.749 12.145 1.00 1.43 H new ATOM 0 HB3 PRO A 14 -11.327 -8.069 13.296 1.00 1.43 H new ATOM 0 HG2 PRO A 14 -9.560 -5.576 13.409 1.00 1.44 H new ATOM 0 HG3 PRO A 14 -10.500 -6.294 14.702 1.00 1.44 H new ATOM 0 HD2 PRO A 14 -7.818 -6.818 14.436 1.00 1.25 H new ATOM 0 HD3 PRO A 14 -8.919 -8.017 15.085 1.00 1.25 H new ATOM 207 N ASN A 15 -7.985 -6.537 10.926 1.00 0.69 N ATOM 208 CA ASN A 15 -7.454 -5.692 9.860 1.00 0.62 C ATOM 209 C ASN A 15 -5.913 -5.588 9.877 1.00 0.68 C ATOM 210 O ASN A 15 -5.238 -5.913 10.861 1.00 0.86 O ATOM 211 CB ASN A 15 -8.123 -4.307 9.928 1.00 0.80 C ATOM 212 CG ASN A 15 -7.628 -3.433 11.078 1.00 1.27 C ATOM 213 OD1 ASN A 15 -7.547 -3.850 12.224 1.00 1.96 O ATOM 214 ND2 ASN A 15 -7.286 -2.188 10.796 1.00 1.96 N ATOM 0 H ASN A 15 -7.430 -6.492 11.781 1.00 0.69 H new ATOM 0 HA ASN A 15 -7.696 -6.163 8.907 1.00 0.62 H new ATOM 0 HB2 ASN A 15 -7.949 -3.784 8.987 1.00 0.80 H new ATOM 0 HB3 ASN A 15 -9.201 -4.440 10.024 1.00 0.80 H new ATOM 0 HD21 ASN A 15 -6.953 -1.571 11.536 1.00 1.96 H new ATOM 0 HD22 ASN A 15 -7.355 -1.845 9.838 1.00 1.96 H new ATOM 221 N ALA A 16 -5.352 -5.098 8.769 1.00 0.69 N ATOM 222 CA ALA A 16 -3.922 -4.853 8.579 1.00 0.87 C ATOM 223 C ALA A 16 -3.647 -3.767 7.520 1.00 0.75 C ATOM 224 O ALA A 16 -4.567 -3.217 6.915 1.00 0.73 O ATOM 225 CB ALA A 16 -3.245 -6.181 8.214 1.00 1.27 C ATOM 0 H ALA A 16 -5.904 -4.852 7.948 1.00 0.69 H new ATOM 0 HA ALA A 16 -3.503 -4.469 9.509 1.00 0.87 H new ATOM 0 HB1 ALA A 16 -2.177 -6.017 8.068 1.00 1.27 H new ATOM 0 HB2 ALA A 16 -3.395 -6.900 9.020 1.00 1.27 H new ATOM 0 HB3 ALA A 16 -3.681 -6.571 7.294 1.00 1.27 H new ATOM 231 N ALA A 17 -2.361 -3.489 7.290 1.00 0.97 N ATOM 232 CA ALA A 17 -1.853 -2.626 6.230 1.00 0.93 C ATOM 233 C ALA A 17 -0.798 -3.371 5.406 1.00 0.87 C ATOM 234 O ALA A 17 0.109 -3.982 5.981 1.00 1.09 O ATOM 235 CB ALA A 17 -1.217 -1.379 6.865 1.00 1.07 C ATOM 0 H ALA A 17 -1.615 -3.879 7.866 1.00 0.97 H new ATOM 0 HA ALA A 17 -2.674 -2.335 5.574 1.00 0.93 H new ATOM 0 HB1 ALA A 17 -0.834 -0.727 6.080 1.00 1.07 H new ATOM 0 HB2 ALA A 17 -1.967 -0.844 7.447 1.00 1.07 H new ATOM 0 HB3 ALA A 17 -0.398 -1.681 7.518 1.00 1.07 H new ATOM 241 N ALA A 18 -0.877 -3.254 4.081 1.00 0.92 N ATOM 242 CA ALA A 18 0.229 -3.580 3.188 1.00 0.87 C ATOM 243 C ALA A 18 0.997 -2.305 2.809 1.00 0.70 C ATOM 244 O ALA A 18 0.421 -1.339 2.296 1.00 0.88 O ATOM 245 CB ALA A 18 -0.306 -4.344 1.969 1.00 1.01 C ATOM 0 H ALA A 18 -1.714 -2.929 3.597 1.00 0.92 H new ATOM 0 HA ALA A 18 0.942 -4.233 3.692 1.00 0.87 H new ATOM 0 HB1 ALA A 18 0.520 -4.588 1.301 1.00 1.01 H new ATOM 0 HB2 ALA A 18 -0.789 -5.264 2.299 1.00 1.01 H new ATOM 0 HB3 ALA A 18 -1.029 -3.724 1.440 1.00 1.01 H new ATOM 251 N TYR A 19 2.301 -2.322 3.082 1.00 0.70 N ATOM 252 CA TYR A 19 3.288 -1.392 2.543 1.00 0.71 C ATOM 253 C TYR A 19 3.875 -2.003 1.263 1.00 0.84 C ATOM 254 O TYR A 19 3.903 -3.226 1.119 1.00 1.05 O ATOM 255 CB TYR A 19 4.393 -1.170 3.590 1.00 0.68 C ATOM 256 CG TYR A 19 3.892 -1.055 5.017 1.00 0.65 C ATOM 257 CD1 TYR A 19 3.166 0.071 5.454 1.00 1.86 C ATOM 258 CD2 TYR A 19 4.107 -2.131 5.893 1.00 1.71 C ATOM 259 CE1 TYR A 19 2.666 0.111 6.773 1.00 1.92 C ATOM 260 CE2 TYR A 19 3.662 -2.076 7.220 1.00 1.71 C ATOM 261 CZ TYR A 19 2.925 -0.957 7.667 1.00 0.76 C ATOM 262 OH TYR A 19 2.457 -0.918 8.947 1.00 0.91 O ATOM 0 H TYR A 19 2.713 -3.012 3.710 1.00 0.70 H new ATOM 0 HA TYR A 19 2.830 -0.431 2.310 1.00 0.71 H new ATOM 0 HB2 TYR A 19 5.102 -1.996 3.532 1.00 0.68 H new ATOM 0 HB3 TYR A 19 4.940 -0.262 3.336 1.00 0.68 H new ATOM 0 HD1 TYR A 19 2.993 0.899 4.783 1.00 1.86 H new ATOM 0 HD2 TYR A 19 4.622 -3.012 5.539 1.00 1.71 H new ATOM 0 HE1 TYR A 19 2.084 0.959 7.102 1.00 1.92 H new ATOM 0 HE2 TYR A 19 3.882 -2.887 7.899 1.00 1.71 H new ATOM 0 HH TYR A 19 1.624 -0.402 8.975 1.00 0.91 H new ATOM 272 N LEU A 20 4.385 -1.187 0.343 1.00 0.80 N ATOM 273 CA LEU A 20 5.058 -1.710 -0.854 1.00 0.91 C ATOM 274 C LEU A 20 5.842 -0.650 -1.605 1.00 0.87 C ATOM 275 O LEU A 20 5.372 0.465 -1.835 1.00 0.89 O ATOM 276 CB LEU A 20 4.116 -2.508 -1.791 1.00 1.04 C ATOM 277 CG LEU A 20 2.877 -1.733 -2.278 1.00 1.20 C ATOM 278 CD1 LEU A 20 3.082 -1.177 -3.691 1.00 1.56 C ATOM 279 CD2 LEU A 20 1.629 -2.628 -2.251 1.00 1.52 C ATOM 0 H LEU A 20 4.348 -0.169 0.398 1.00 0.80 H new ATOM 0 HA LEU A 20 5.787 -2.427 -0.476 1.00 0.91 H new ATOM 0 HB2 LEU A 20 4.685 -2.837 -2.660 1.00 1.04 H new ATOM 0 HB3 LEU A 20 3.783 -3.405 -1.269 1.00 1.04 H new ATOM 0 HG LEU A 20 2.731 -0.895 -1.596 1.00 1.20 H new ATOM 0 HD11 LEU A 20 2.188 -0.636 -4.002 1.00 1.56 H new ATOM 0 HD12 LEU A 20 3.936 -0.500 -3.695 1.00 1.56 H new ATOM 0 HD13 LEU A 20 3.268 -1.999 -4.382 1.00 1.56 H new ATOM 0 HD21 LEU A 20 0.766 -2.060 -2.599 1.00 1.52 H new ATOM 0 HD22 LEU A 20 1.784 -3.488 -2.903 1.00 1.52 H new ATOM 0 HD23 LEU A 20 1.450 -2.972 -1.232 1.00 1.52 H new ATOM 291 N THR A 21 7.039 -1.052 -2.014 1.00 0.93 N ATOM 292 CA THR A 21 7.853 -0.351 -2.994 1.00 0.89 C ATOM 293 C THR A 21 7.310 -0.695 -4.375 1.00 0.91 C ATOM 294 O THR A 21 6.785 -1.784 -4.588 1.00 1.26 O ATOM 295 CB THR A 21 9.317 -0.749 -2.818 1.00 1.06 C ATOM 296 OG1 THR A 21 9.667 -0.605 -1.464 1.00 1.22 O ATOM 297 CG2 THR A 21 10.254 0.122 -3.634 1.00 1.23 C ATOM 0 H THR A 21 7.482 -1.901 -1.661 1.00 0.93 H new ATOM 0 HA THR A 21 7.806 0.730 -2.863 1.00 0.89 H new ATOM 0 HB THR A 21 9.418 -1.779 -3.159 1.00 1.06 H new ATOM 0 HG1 THR A 21 10.250 0.176 -1.358 1.00 1.22 H new ATOM 0 HG21 THR A 21 11.283 -0.201 -3.474 1.00 1.23 H new ATOM 0 HG22 THR A 21 10.005 0.032 -4.692 1.00 1.23 H new ATOM 0 HG23 THR A 21 10.148 1.161 -3.323 1.00 1.23 H new ATOM 305 N LEU A 22 7.419 0.244 -5.310 1.00 0.99 N ATOM 306 CA LEU A 22 6.906 0.161 -6.675 1.00 1.10 C ATOM 307 C LEU A 22 7.748 1.100 -7.541 1.00 0.90 C ATOM 308 O LEU A 22 8.137 2.186 -7.104 1.00 0.87 O ATOM 309 CB LEU A 22 5.395 0.501 -6.644 1.00 1.32 C ATOM 310 CG LEU A 22 4.565 0.437 -7.944 1.00 1.53 C ATOM 311 CD1 LEU A 22 4.710 1.689 -8.821 1.00 2.18 C ATOM 312 CD2 LEU A 22 4.827 -0.841 -8.751 1.00 2.37 C ATOM 0 H LEU A 22 7.892 1.129 -5.127 1.00 0.99 H new ATOM 0 HA LEU A 22 6.989 -0.835 -7.110 1.00 1.10 H new ATOM 0 HB2 LEU A 22 4.926 -0.171 -5.926 1.00 1.32 H new ATOM 0 HB3 LEU A 22 5.298 1.511 -6.246 1.00 1.32 H new ATOM 0 HG LEU A 22 3.527 0.406 -7.614 1.00 1.53 H new ATOM 0 HD11 LEU A 22 4.101 1.578 -9.718 1.00 2.18 H new ATOM 0 HD12 LEU A 22 4.378 2.564 -8.263 1.00 2.18 H new ATOM 0 HD13 LEU A 22 5.755 1.815 -9.105 1.00 2.18 H new ATOM 0 HD21 LEU A 22 4.217 -0.832 -9.654 1.00 2.37 H new ATOM 0 HD22 LEU A 22 5.881 -0.888 -9.025 1.00 2.37 H new ATOM 0 HD23 LEU A 22 4.570 -1.712 -8.148 1.00 2.37 H new ATOM 324 N GLU A 23 8.069 0.704 -8.769 1.00 0.94 N ATOM 325 CA GLU A 23 8.857 1.525 -9.681 1.00 0.90 C ATOM 326 C GLU A 23 8.379 1.342 -11.114 1.00 1.03 C ATOM 327 O GLU A 23 8.179 0.222 -11.575 1.00 1.48 O ATOM 328 CB GLU A 23 10.359 1.254 -9.519 1.00 1.26 C ATOM 329 CG GLU A 23 10.786 -0.215 -9.716 1.00 1.60 C ATOM 330 CD GLU A 23 12.242 -0.445 -9.317 1.00 2.19 C ATOM 331 OE1 GLU A 23 12.771 0.280 -8.443 1.00 3.28 O ATOM 332 OE2 GLU A 23 12.891 -1.385 -9.822 1.00 2.53 O ATOM 0 H GLU A 23 7.790 -0.196 -9.160 1.00 0.94 H new ATOM 0 HA GLU A 23 8.706 2.573 -9.424 1.00 0.90 H new ATOM 0 HB2 GLU A 23 10.903 1.873 -10.233 1.00 1.26 H new ATOM 0 HB3 GLU A 23 10.664 1.574 -8.523 1.00 1.26 H new ATOM 0 HG2 GLU A 23 10.141 -0.863 -9.123 1.00 1.60 H new ATOM 0 HG3 GLU A 23 10.647 -0.496 -10.760 1.00 1.60 H new ATOM 339 N ASN A 24 8.192 2.468 -11.798 1.00 0.77 N ATOM 340 CA ASN A 24 7.783 2.548 -13.195 1.00 0.77 C ATOM 341 C ASN A 24 9.024 2.626 -14.100 1.00 0.79 C ATOM 342 O ASN A 24 9.669 3.676 -14.128 1.00 0.79 O ATOM 343 CB ASN A 24 6.908 3.803 -13.377 1.00 0.71 C ATOM 344 CG ASN A 24 6.483 4.023 -14.821 1.00 0.78 C ATOM 345 OD1 ASN A 24 6.511 3.122 -15.648 1.00 0.81 O ATOM 346 ND2 ASN A 24 6.058 5.224 -15.148 1.00 0.92 N ATOM 0 H ASN A 24 8.327 3.386 -11.375 1.00 0.77 H new ATOM 0 HA ASN A 24 7.214 1.660 -13.471 1.00 0.77 H new ATOM 0 HB2 ASN A 24 6.020 3.714 -12.751 1.00 0.71 H new ATOM 0 HB3 ASN A 24 7.458 4.677 -13.028 1.00 0.71 H new ATOM 0 HD21 ASN A 24 5.747 5.413 -16.101 1.00 0.92 H new ATOM 0 HD22 ASN A 24 6.040 5.966 -14.449 1.00 0.92 H new ATOM 353 N PRO A 25 9.358 1.583 -14.880 1.00 0.90 N ATOM 354 CA PRO A 25 10.479 1.627 -15.818 1.00 0.98 C ATOM 355 C PRO A 25 10.159 2.347 -17.138 1.00 1.05 C ATOM 356 O PRO A 25 11.078 2.596 -17.918 1.00 1.14 O ATOM 357 CB PRO A 25 10.812 0.152 -16.070 1.00 1.12 C ATOM 358 CG PRO A 25 9.441 -0.522 -15.970 1.00 1.17 C ATOM 359 CD PRO A 25 8.768 0.253 -14.844 1.00 1.02 C ATOM 0 HA PRO A 25 11.307 2.200 -15.401 1.00 0.98 H new ATOM 0 HB2 PRO A 25 11.268 0.001 -17.049 1.00 1.12 H new ATOM 0 HB3 PRO A 25 11.510 -0.238 -15.330 1.00 1.12 H new ATOM 0 HG2 PRO A 25 8.883 -0.446 -16.903 1.00 1.17 H new ATOM 0 HG3 PRO A 25 9.528 -1.583 -15.736 1.00 1.17 H new ATOM 0 HD2 PRO A 25 7.689 0.298 -14.989 1.00 1.02 H new ATOM 0 HD3 PRO A 25 8.940 -0.227 -13.880 1.00 1.02 H new ATOM 367 N GLY A 26 8.889 2.678 -17.404 1.00 1.03 N ATOM 368 CA GLY A 26 8.436 3.227 -18.683 1.00 1.08 C ATOM 369 C GLY A 26 8.764 4.707 -18.874 1.00 1.09 C ATOM 370 O GLY A 26 9.285 5.375 -17.981 1.00 1.12 O ATOM 0 H GLY A 26 8.137 2.569 -16.724 1.00 1.03 H new ATOM 0 HA2 GLY A 26 8.891 2.657 -19.493 1.00 1.08 H new ATOM 0 HA3 GLY A 26 7.358 3.091 -18.764 1.00 1.08 H new ATOM 374 N ASP A 27 8.476 5.198 -20.079 1.00 1.13 N ATOM 375 CA ASP A 27 8.655 6.593 -20.521 1.00 1.13 C ATOM 376 C ASP A 27 7.320 7.368 -20.587 1.00 1.10 C ATOM 377 O ASP A 27 7.287 8.552 -20.917 1.00 1.15 O ATOM 378 CB ASP A 27 9.426 6.586 -21.850 1.00 1.35 C ATOM 379 CG ASP A 27 10.831 6.034 -21.604 1.00 1.88 C ATOM 380 OD1 ASP A 27 11.701 6.805 -21.151 1.00 3.09 O ATOM 381 OD2 ASP A 27 11.007 4.795 -21.635 1.00 2.20 O ATOM 0 H ASP A 27 8.091 4.608 -20.816 1.00 1.13 H new ATOM 0 HA ASP A 27 9.243 7.139 -19.783 1.00 1.13 H new ATOM 0 HB2 ASP A 27 8.904 5.974 -22.586 1.00 1.35 H new ATOM 0 HB3 ASP A 27 9.483 7.595 -22.258 1.00 1.35 H new ATOM 386 N LEU A 28 6.229 6.714 -20.178 1.00 1.08 N ATOM 387 CA LEU A 28 4.933 7.303 -19.835 1.00 1.06 C ATOM 388 C LEU A 28 4.622 7.056 -18.336 1.00 0.97 C ATOM 389 O LEU A 28 5.294 6.215 -17.726 1.00 1.02 O ATOM 390 CB LEU A 28 3.892 6.767 -20.842 1.00 1.21 C ATOM 391 CG LEU A 28 3.605 5.249 -20.838 1.00 1.27 C ATOM 392 CD1 LEU A 28 2.739 4.802 -19.650 1.00 1.71 C ATOM 393 CD2 LEU A 28 2.866 4.884 -22.134 1.00 1.32 C ATOM 0 H LEU A 28 6.228 5.700 -20.071 1.00 1.08 H new ATOM 0 HA LEU A 28 4.921 8.389 -19.931 1.00 1.06 H new ATOM 0 HB2 LEU A 28 2.951 7.287 -20.661 1.00 1.21 H new ATOM 0 HB3 LEU A 28 4.221 7.044 -21.844 1.00 1.21 H new ATOM 0 HG LEU A 28 4.566 4.741 -20.756 1.00 1.27 H new ATOM 0 HD11 LEU A 28 2.574 3.726 -19.705 1.00 1.71 H new ATOM 0 HD12 LEU A 28 3.248 5.044 -18.717 1.00 1.71 H new ATOM 0 HD13 LEU A 28 1.780 5.319 -19.684 1.00 1.71 H new ATOM 0 HD21 LEU A 28 2.657 3.814 -22.145 1.00 1.32 H new ATOM 0 HD22 LEU A 28 1.929 5.438 -22.187 1.00 1.32 H new ATOM 0 HD23 LEU A 28 3.487 5.141 -22.992 1.00 1.32 H new ATOM 405 N PRO A 29 3.652 7.755 -17.711 1.00 0.92 N ATOM 406 CA PRO A 29 3.399 7.659 -16.272 1.00 0.87 C ATOM 407 C PRO A 29 2.511 6.445 -15.919 1.00 0.92 C ATOM 408 O PRO A 29 1.750 5.960 -16.758 1.00 1.06 O ATOM 409 CB PRO A 29 2.701 8.972 -15.904 1.00 0.88 C ATOM 410 CG PRO A 29 1.916 9.315 -17.166 1.00 0.97 C ATOM 411 CD PRO A 29 2.790 8.769 -18.301 1.00 0.98 C ATOM 0 HA PRO A 29 4.325 7.511 -15.717 1.00 0.87 H new ATOM 0 HB2 PRO A 29 2.045 8.851 -15.042 1.00 0.88 H new ATOM 0 HB3 PRO A 29 3.419 9.753 -15.652 1.00 0.88 H new ATOM 0 HG2 PRO A 29 0.930 8.851 -17.162 1.00 0.97 H new ATOM 0 HG3 PRO A 29 1.762 10.390 -17.261 1.00 0.97 H new ATOM 0 HD2 PRO A 29 2.175 8.342 -19.093 1.00 0.98 H new ATOM 0 HD3 PRO A 29 3.382 9.566 -18.752 1.00 0.98 H new ATOM 419 N LEU A 30 2.552 5.997 -14.655 1.00 0.86 N ATOM 420 CA LEU A 30 1.611 5.022 -14.083 1.00 0.82 C ATOM 421 C LEU A 30 0.638 5.699 -13.128 1.00 0.82 C ATOM 422 O LEU A 30 0.968 6.687 -12.475 1.00 0.95 O ATOM 423 CB LEU A 30 2.311 3.897 -13.316 1.00 0.79 C ATOM 424 CG LEU A 30 3.222 3.039 -14.185 1.00 1.10 C ATOM 425 CD1 LEU A 30 3.772 1.903 -13.322 1.00 1.93 C ATOM 426 CD2 LEU A 30 2.596 2.451 -15.452 1.00 1.78 C ATOM 0 H LEU A 30 3.256 6.310 -13.987 1.00 0.86 H new ATOM 0 HA LEU A 30 1.084 4.593 -14.935 1.00 0.82 H new ATOM 0 HB2 LEU A 30 2.899 4.331 -12.507 1.00 0.79 H new ATOM 0 HB3 LEU A 30 1.557 3.259 -12.855 1.00 0.79 H new ATOM 0 HG LEU A 30 3.996 3.713 -14.552 1.00 1.10 H new ATOM 0 HD11 LEU A 30 4.428 1.274 -13.924 1.00 1.93 H new ATOM 0 HD12 LEU A 30 4.335 2.320 -12.487 1.00 1.93 H new ATOM 0 HD13 LEU A 30 2.946 1.304 -12.940 1.00 1.93 H new ATOM 0 HD21 LEU A 30 3.341 1.861 -15.986 1.00 1.78 H new ATOM 0 HD22 LEU A 30 1.755 1.813 -15.180 1.00 1.78 H new ATOM 0 HD23 LEU A 30 2.246 3.259 -16.094 1.00 1.78 H new ATOM 438 N ARG A 31 -0.529 5.075 -12.975 1.00 0.86 N ATOM 439 CA ARG A 31 -1.602 5.496 -12.066 1.00 0.86 C ATOM 440 C ARG A 31 -2.296 4.306 -11.407 1.00 0.81 C ATOM 441 O ARG A 31 -2.944 3.511 -12.087 1.00 0.88 O ATOM 442 CB ARG A 31 -2.598 6.357 -12.845 1.00 1.01 C ATOM 443 CG ARG A 31 -3.778 6.829 -11.980 1.00 1.15 C ATOM 444 CD ARG A 31 -4.555 7.974 -12.637 1.00 1.38 C ATOM 445 NE ARG A 31 -4.802 7.737 -14.075 1.00 2.92 N ATOM 446 CZ ARG A 31 -4.234 8.392 -15.085 1.00 3.32 C ATOM 447 NH1 ARG A 31 -3.415 9.408 -14.922 1.00 2.80 N ATOM 448 NH2 ARG A 31 -4.477 8.003 -16.318 1.00 4.95 N ATOM 0 H ARG A 31 -0.765 4.232 -13.498 1.00 0.86 H new ATOM 0 HA ARG A 31 -1.167 6.081 -11.256 1.00 0.86 H new ATOM 0 HB2 ARG A 31 -2.081 7.226 -13.252 1.00 1.01 H new ATOM 0 HB3 ARG A 31 -2.979 5.787 -13.693 1.00 1.01 H new ATOM 0 HG2 ARG A 31 -4.452 5.991 -11.799 1.00 1.15 H new ATOM 0 HG3 ARG A 31 -3.407 7.155 -11.008 1.00 1.15 H new ATOM 0 HD2 ARG A 31 -5.508 8.104 -12.124 1.00 1.38 H new ATOM 0 HD3 ARG A 31 -3.999 8.903 -12.515 1.00 1.38 H new ATOM 0 HE ARG A 31 -5.469 7.004 -14.315 1.00 2.92 H new ATOM 0 HH11 ARG A 31 -3.185 9.732 -13.983 1.00 2.80 H new ATOM 0 HH12 ARG A 31 -3.009 9.872 -15.735 1.00 2.80 H new ATOM 0 HH21 ARG A 31 -5.094 7.209 -16.490 1.00 4.95 H new ATOM 0 HH22 ARG A 31 -4.049 8.495 -17.102 1.00 4.95 H new ATOM 462 N LEU A 32 -2.152 4.213 -10.089 1.00 0.69 N ATOM 463 CA LEU A 32 -2.616 3.170 -9.181 1.00 0.61 C ATOM 464 C LEU A 32 -3.946 3.589 -8.534 1.00 0.66 C ATOM 465 O LEU A 32 -3.992 4.593 -7.827 1.00 0.79 O ATOM 466 CB LEU A 32 -1.490 3.010 -8.140 1.00 0.58 C ATOM 467 CG LEU A 32 -1.756 2.047 -6.970 1.00 0.56 C ATOM 468 CD1 LEU A 32 -2.024 0.640 -7.511 1.00 0.90 C ATOM 469 CD2 LEU A 32 -0.533 2.066 -6.038 1.00 0.67 C ATOM 0 H LEU A 32 -1.656 4.943 -9.578 1.00 0.69 H new ATOM 0 HA LEU A 32 -2.812 2.225 -9.687 1.00 0.61 H new ATOM 0 HB2 LEU A 32 -0.593 2.673 -8.660 1.00 0.58 H new ATOM 0 HB3 LEU A 32 -1.268 3.994 -7.726 1.00 0.58 H new ATOM 0 HG LEU A 32 -2.636 2.358 -6.407 1.00 0.56 H new ATOM 0 HD11 LEU A 32 -2.212 -0.040 -6.680 1.00 0.90 H new ATOM 0 HD12 LEU A 32 -2.895 0.662 -8.166 1.00 0.90 H new ATOM 0 HD13 LEU A 32 -1.156 0.295 -8.073 1.00 0.90 H new ATOM 0 HD21 LEU A 32 -0.703 1.389 -5.201 1.00 0.67 H new ATOM 0 HD22 LEU A 32 0.350 1.746 -6.590 1.00 0.67 H new ATOM 0 HD23 LEU A 32 -0.379 3.077 -5.661 1.00 0.67 H new ATOM 481 N VAL A 33 -5.007 2.819 -8.772 1.00 0.61 N ATOM 482 CA VAL A 33 -6.389 3.140 -8.352 1.00 0.66 C ATOM 483 C VAL A 33 -6.972 2.150 -7.336 1.00 0.77 C ATOM 484 O VAL A 33 -7.918 2.483 -6.627 1.00 0.72 O ATOM 485 CB VAL A 33 -7.350 3.250 -9.558 1.00 0.70 C ATOM 486 CG1 VAL A 33 -6.913 4.383 -10.496 1.00 0.67 C ATOM 487 CG2 VAL A 33 -7.478 1.959 -10.390 1.00 0.77 C ATOM 0 H VAL A 33 -4.938 1.933 -9.273 1.00 0.61 H new ATOM 0 HA VAL A 33 -6.306 4.109 -7.860 1.00 0.66 H new ATOM 0 HB VAL A 33 -8.327 3.452 -9.118 1.00 0.70 H new ATOM 0 HG11 VAL A 33 -7.602 4.444 -11.338 1.00 0.67 H new ATOM 0 HG12 VAL A 33 -6.919 5.328 -9.953 1.00 0.67 H new ATOM 0 HG13 VAL A 33 -5.907 4.183 -10.864 1.00 0.67 H new ATOM 0 HG21 VAL A 33 -8.171 2.125 -11.215 1.00 0.77 H new ATOM 0 HG22 VAL A 33 -6.501 1.683 -10.787 1.00 0.77 H new ATOM 0 HG23 VAL A 33 -7.853 1.154 -9.758 1.00 0.77 H new ATOM 497 N GLY A 34 -6.415 0.937 -7.235 1.00 0.97 N ATOM 498 CA GLY A 34 -6.815 -0.051 -6.244 1.00 1.10 C ATOM 499 C GLY A 34 -5.764 -1.135 -6.076 1.00 0.88 C ATOM 500 O GLY A 34 -4.625 -1.001 -6.523 1.00 0.66 O ATOM 0 H GLY A 34 -5.666 0.617 -7.849 1.00 0.97 H new ATOM 0 HA2 GLY A 34 -6.986 0.442 -5.287 1.00 1.10 H new ATOM 0 HA3 GLY A 34 -7.760 -0.504 -6.542 1.00 1.10 H new ATOM 504 N ALA A 35 -6.170 -2.234 -5.454 1.00 1.00 N ATOM 505 CA ALA A 35 -5.317 -3.381 -5.199 1.00 0.71 C ATOM 506 C ALA A 35 -6.136 -4.668 -5.058 1.00 0.73 C ATOM 507 O ALA A 35 -7.368 -4.604 -5.051 1.00 1.09 O ATOM 508 CB ALA A 35 -4.519 -3.079 -3.924 1.00 1.14 C ATOM 0 H ALA A 35 -7.122 -2.353 -5.107 1.00 1.00 H new ATOM 0 HA ALA A 35 -4.641 -3.546 -6.038 1.00 0.71 H new ATOM 0 HB1 ALA A 35 -3.863 -3.920 -3.697 1.00 1.14 H new ATOM 0 HB2 ALA A 35 -3.919 -2.181 -4.074 1.00 1.14 H new ATOM 0 HB3 ALA A 35 -5.207 -2.921 -3.093 1.00 1.14 H new ATOM 514 N ARG A 36 -5.475 -5.820 -4.883 1.00 0.55 N ATOM 515 CA ARG A 36 -6.136 -7.092 -4.575 1.00 0.58 C ATOM 516 C ARG A 36 -5.141 -7.998 -3.900 1.00 0.58 C ATOM 517 O ARG A 36 -3.984 -7.969 -4.269 1.00 0.88 O ATOM 518 CB ARG A 36 -6.609 -7.813 -5.850 1.00 1.02 C ATOM 519 CG ARG A 36 -7.988 -7.423 -6.369 1.00 1.25 C ATOM 520 CD ARG A 36 -9.115 -7.402 -5.319 1.00 2.34 C ATOM 521 NE ARG A 36 -9.054 -8.551 -4.386 1.00 3.47 N ATOM 522 CZ ARG A 36 -9.477 -8.555 -3.122 1.00 5.22 C ATOM 523 NH1 ARG A 36 -10.197 -7.575 -2.622 1.00 6.18 N ATOM 524 NH2 ARG A 36 -9.154 -9.543 -2.318 1.00 6.59 N ATOM 0 H ARG A 36 -4.460 -5.894 -4.952 1.00 0.55 H new ATOM 0 HA ARG A 36 -6.997 -6.875 -3.943 1.00 0.58 H new ATOM 0 HB2 ARG A 36 -5.880 -7.628 -6.639 1.00 1.02 H new ATOM 0 HB3 ARG A 36 -6.605 -8.886 -5.659 1.00 1.02 H new ATOM 0 HG2 ARG A 36 -7.919 -6.434 -6.821 1.00 1.25 H new ATOM 0 HG3 ARG A 36 -8.268 -8.117 -7.161 1.00 1.25 H new ATOM 0 HD2 ARG A 36 -9.057 -6.474 -4.750 1.00 2.34 H new ATOM 0 HD3 ARG A 36 -10.079 -7.404 -5.828 1.00 2.34 H new ATOM 0 HE ARG A 36 -8.652 -9.418 -4.743 1.00 3.47 H new ATOM 0 HH11 ARG A 36 -10.449 -6.778 -3.206 1.00 6.18 H new ATOM 0 HH12 ARG A 36 -10.503 -7.612 -1.650 1.00 6.18 H new ATOM 0 HH21 ARG A 36 -8.577 -10.311 -2.660 1.00 6.59 H new ATOM 0 HH22 ARG A 36 -9.480 -9.541 -1.352 1.00 6.59 H new ATOM 538 N THR A 37 -5.575 -8.839 -2.970 1.00 0.47 N ATOM 539 CA THR A 37 -4.730 -9.845 -2.320 1.00 0.51 C ATOM 540 C THR A 37 -5.561 -11.115 -2.095 1.00 0.57 C ATOM 541 O THR A 37 -6.788 -10.992 -2.012 1.00 0.66 O ATOM 542 CB THR A 37 -4.160 -9.270 -1.016 1.00 0.55 C ATOM 543 OG1 THR A 37 -3.453 -10.283 -0.359 1.00 0.67 O ATOM 544 CG2 THR A 37 -5.215 -8.716 -0.058 1.00 0.57 C ATOM 0 H THR A 37 -6.539 -8.845 -2.637 1.00 0.47 H new ATOM 0 HA THR A 37 -3.880 -10.110 -2.949 1.00 0.51 H new ATOM 0 HB THR A 37 -3.525 -8.430 -1.297 1.00 0.55 H new ATOM 0 HG1 THR A 37 -2.533 -10.310 -0.695 1.00 0.67 H new ATOM 0 HG21 THR A 37 -4.727 -8.330 0.837 1.00 0.57 H new ATOM 0 HG22 THR A 37 -5.764 -7.912 -0.547 1.00 0.57 H new ATOM 0 HG23 THR A 37 -5.907 -9.511 0.220 1.00 0.57 H new ATOM 552 N PRO A 38 -4.959 -12.308 -1.942 1.00 0.72 N ATOM 553 CA PRO A 38 -5.633 -13.450 -1.336 1.00 0.82 C ATOM 554 C PRO A 38 -5.961 -13.258 0.148 1.00 0.73 C ATOM 555 O PRO A 38 -6.873 -13.915 0.633 1.00 0.84 O ATOM 556 CB PRO A 38 -4.666 -14.620 -1.517 1.00 1.08 C ATOM 557 CG PRO A 38 -3.291 -13.976 -1.648 1.00 1.07 C ATOM 558 CD PRO A 38 -3.618 -12.679 -2.375 1.00 0.87 C ATOM 0 HA PRO A 38 -6.600 -13.607 -1.813 1.00 0.82 H new ATOM 0 HB2 PRO A 38 -4.704 -15.300 -0.666 1.00 1.08 H new ATOM 0 HB3 PRO A 38 -4.914 -15.204 -2.403 1.00 1.08 H new ATOM 0 HG2 PRO A 38 -2.831 -13.795 -0.677 1.00 1.07 H new ATOM 0 HG3 PRO A 38 -2.601 -14.600 -2.216 1.00 1.07 H new ATOM 0 HD2 PRO A 38 -2.898 -11.900 -2.127 1.00 0.87 H new ATOM 0 HD3 PRO A 38 -3.580 -12.816 -3.456 1.00 0.87 H new ATOM 566 N VAL A 39 -5.225 -12.410 0.878 1.00 0.67 N ATOM 567 CA VAL A 39 -5.274 -12.405 2.365 1.00 0.69 C ATOM 568 C VAL A 39 -6.317 -11.472 2.991 1.00 0.67 C ATOM 569 O VAL A 39 -6.395 -11.406 4.214 1.00 0.82 O ATOM 570 CB VAL A 39 -3.886 -12.192 3.026 1.00 0.75 C ATOM 571 CG1 VAL A 39 -2.819 -13.055 2.328 1.00 0.85 C ATOM 572 CG2 VAL A 39 -3.443 -10.719 3.084 1.00 0.78 C ATOM 0 H VAL A 39 -4.590 -11.720 0.477 1.00 0.67 H new ATOM 0 HA VAL A 39 -5.611 -13.417 2.590 1.00 0.69 H new ATOM 0 HB VAL A 39 -3.993 -12.511 4.063 1.00 0.75 H new ATOM 0 HG11 VAL A 39 -1.852 -12.893 2.804 1.00 0.85 H new ATOM 0 HG12 VAL A 39 -3.092 -14.107 2.409 1.00 0.85 H new ATOM 0 HG13 VAL A 39 -2.757 -12.776 1.276 1.00 0.85 H new ATOM 0 HG21 VAL A 39 -2.464 -10.652 3.559 1.00 0.78 H new ATOM 0 HG22 VAL A 39 -3.384 -10.317 2.073 1.00 0.78 H new ATOM 0 HG23 VAL A 39 -4.167 -10.144 3.661 1.00 0.78 H new ATOM 582 N ALA A 40 -7.138 -10.778 2.193 1.00 0.59 N ATOM 583 CA ALA A 40 -8.122 -9.820 2.700 1.00 0.59 C ATOM 584 C ALA A 40 -9.316 -9.619 1.759 1.00 0.62 C ATOM 585 O ALA A 40 -9.207 -9.783 0.540 1.00 0.93 O ATOM 586 CB ALA A 40 -7.428 -8.491 3.013 1.00 0.79 C ATOM 0 H ALA A 40 -7.137 -10.867 1.177 1.00 0.59 H new ATOM 0 HA ALA A 40 -8.542 -10.237 3.615 1.00 0.59 H new ATOM 0 HB1 ALA A 40 -8.161 -7.778 3.390 1.00 0.79 H new ATOM 0 HB2 ALA A 40 -6.657 -8.652 3.766 1.00 0.79 H new ATOM 0 HB3 ALA A 40 -6.972 -8.096 2.105 1.00 0.79 H new ATOM 592 N GLU A 41 -10.449 -9.263 2.362 1.00 0.68 N ATOM 593 CA GLU A 41 -11.737 -9.015 1.718 1.00 0.80 C ATOM 594 C GLU A 41 -11.768 -7.600 1.102 1.00 0.80 C ATOM 595 O GLU A 41 -11.368 -7.403 -0.052 1.00 1.02 O ATOM 596 CB GLU A 41 -12.833 -9.282 2.778 1.00 0.87 C ATOM 597 CG GLU A 41 -14.239 -9.470 2.204 1.00 1.14 C ATOM 598 CD GLU A 41 -14.344 -10.835 1.531 1.00 1.93 C ATOM 599 OE1 GLU A 41 -13.950 -10.945 0.349 1.00 2.49 O ATOM 600 OE2 GLU A 41 -14.598 -11.839 2.230 1.00 2.98 O ATOM 0 H GLU A 41 -10.495 -9.132 3.373 1.00 0.68 H new ATOM 0 HA GLU A 41 -11.915 -9.682 0.875 1.00 0.80 H new ATOM 0 HB2 GLU A 41 -12.563 -10.173 3.344 1.00 0.87 H new ATOM 0 HB3 GLU A 41 -12.850 -8.450 3.482 1.00 0.87 H new ATOM 0 HG2 GLU A 41 -14.980 -9.388 2.999 1.00 1.14 H new ATOM 0 HG3 GLU A 41 -14.456 -8.681 1.484 1.00 1.14 H new ATOM 607 N ARG A 42 -12.175 -6.596 1.889 1.00 0.83 N ATOM 608 CA ARG A 42 -12.209 -5.184 1.511 1.00 0.93 C ATOM 609 C ARG A 42 -10.790 -4.604 1.584 1.00 0.87 C ATOM 610 O ARG A 42 -10.194 -4.526 2.652 1.00 1.11 O ATOM 611 CB ARG A 42 -13.208 -4.470 2.442 1.00 1.11 C ATOM 612 CG ARG A 42 -13.164 -2.935 2.383 1.00 1.17 C ATOM 613 CD ARG A 42 -14.267 -2.329 3.264 1.00 1.44 C ATOM 614 NE ARG A 42 -14.012 -0.904 3.520 1.00 2.20 N ATOM 615 CZ ARG A 42 -14.830 0.136 3.492 1.00 2.84 C ATOM 616 NH1 ARG A 42 -16.101 0.037 3.164 1.00 3.11 N ATOM 617 NH2 ARG A 42 -14.344 1.315 3.804 1.00 4.38 N ATOM 0 H ARG A 42 -12.501 -6.755 2.842 1.00 0.83 H new ATOM 0 HA ARG A 42 -12.547 -5.044 0.484 1.00 0.93 H new ATOM 0 HB2 ARG A 42 -14.216 -4.800 2.191 1.00 1.11 H new ATOM 0 HB3 ARG A 42 -13.016 -4.785 3.468 1.00 1.11 H new ATOM 0 HG2 ARG A 42 -12.189 -2.581 2.717 1.00 1.17 H new ATOM 0 HG3 ARG A 42 -13.289 -2.601 1.353 1.00 1.17 H new ATOM 0 HD2 ARG A 42 -15.234 -2.447 2.775 1.00 1.44 H new ATOM 0 HD3 ARG A 42 -14.320 -2.868 4.210 1.00 1.44 H new ATOM 0 HE ARG A 42 -13.046 -0.680 3.758 1.00 2.20 H new ATOM 0 HH11 ARG A 42 -16.495 -0.871 2.917 1.00 3.11 H new ATOM 0 HH12 ARG A 42 -16.692 0.868 3.157 1.00 3.11 H new ATOM 0 HH21 ARG A 42 -13.361 1.410 4.059 1.00 4.38 H new ATOM 0 HH22 ARG A 42 -14.949 2.136 3.792 1.00 4.38 H new ATOM 631 N VAL A 43 -10.267 -4.170 0.440 1.00 0.82 N ATOM 632 CA VAL A 43 -8.975 -3.477 0.294 1.00 0.81 C ATOM 633 C VAL A 43 -9.217 -2.019 -0.108 1.00 0.84 C ATOM 634 O VAL A 43 -10.042 -1.759 -0.982 1.00 1.05 O ATOM 635 CB VAL A 43 -8.052 -4.217 -0.701 1.00 1.06 C ATOM 636 CG1 VAL A 43 -8.692 -4.477 -2.076 1.00 1.33 C ATOM 637 CG2 VAL A 43 -6.704 -3.503 -0.897 1.00 1.10 C ATOM 0 H VAL A 43 -10.746 -4.293 -0.452 1.00 0.82 H new ATOM 0 HA VAL A 43 -8.455 -3.480 1.252 1.00 0.81 H new ATOM 0 HB VAL A 43 -7.881 -5.185 -0.229 1.00 1.06 H new ATOM 0 HG11 VAL A 43 -7.981 -5.000 -2.715 1.00 1.33 H new ATOM 0 HG12 VAL A 43 -9.586 -5.089 -1.952 1.00 1.33 H new ATOM 0 HG13 VAL A 43 -8.964 -3.527 -2.536 1.00 1.33 H new ATOM 0 HG21 VAL A 43 -6.094 -4.064 -1.605 1.00 1.10 H new ATOM 0 HG22 VAL A 43 -6.877 -2.499 -1.284 1.00 1.10 H new ATOM 0 HG23 VAL A 43 -6.184 -3.439 0.059 1.00 1.10 H new ATOM 647 N GLU A 44 -8.511 -1.085 0.534 1.00 0.76 N ATOM 648 CA GLU A 44 -8.624 0.368 0.342 1.00 0.75 C ATOM 649 C GLU A 44 -7.237 1.007 0.237 1.00 0.79 C ATOM 650 O GLU A 44 -6.351 0.673 1.016 1.00 0.89 O ATOM 651 CB GLU A 44 -9.320 1.014 1.551 1.00 0.69 C ATOM 652 CG GLU A 44 -10.757 0.547 1.781 1.00 0.76 C ATOM 653 CD GLU A 44 -11.339 1.203 3.028 1.00 0.99 C ATOM 654 OE1 GLU A 44 -11.530 2.439 3.035 1.00 1.95 O ATOM 655 OE2 GLU A 44 -11.710 0.465 3.967 1.00 1.90 O ATOM 0 H GLU A 44 -7.812 -1.330 1.235 1.00 0.76 H new ATOM 0 HA GLU A 44 -9.195 0.530 -0.572 1.00 0.75 H new ATOM 0 HB2 GLU A 44 -8.735 0.803 2.446 1.00 0.69 H new ATOM 0 HB3 GLU A 44 -9.320 2.096 1.419 1.00 0.69 H new ATOM 0 HG2 GLU A 44 -11.369 0.794 0.914 1.00 0.76 H new ATOM 0 HG3 GLU A 44 -10.780 -0.537 1.889 1.00 0.76 H new ATOM 662 N LEU A 45 -7.037 1.958 -0.680 1.00 0.81 N ATOM 663 CA LEU A 45 -5.821 2.765 -0.785 1.00 0.89 C ATOM 664 C LEU A 45 -5.915 3.960 0.178 1.00 0.73 C ATOM 665 O LEU A 45 -6.703 4.873 -0.066 1.00 0.66 O ATOM 666 CB LEU A 45 -5.727 3.211 -2.256 1.00 1.23 C ATOM 667 CG LEU A 45 -4.437 3.961 -2.628 1.00 1.64 C ATOM 668 CD1 LEU A 45 -3.232 3.059 -2.814 1.00 0.83 C ATOM 669 CD2 LEU A 45 -4.667 4.696 -3.943 1.00 2.94 C ATOM 0 H LEU A 45 -7.734 2.193 -1.387 1.00 0.81 H new ATOM 0 HA LEU A 45 -4.925 2.210 -0.508 1.00 0.89 H new ATOM 0 HB2 LEU A 45 -5.814 2.331 -2.893 1.00 1.23 H new ATOM 0 HB3 LEU A 45 -6.579 3.852 -2.481 1.00 1.23 H new ATOM 0 HG LEU A 45 -4.219 4.632 -1.797 1.00 1.64 H new ATOM 0 HD11 LEU A 45 -2.363 3.662 -3.075 1.00 0.83 H new ATOM 0 HD12 LEU A 45 -3.035 2.520 -1.888 1.00 0.83 H new ATOM 0 HD13 LEU A 45 -3.431 2.346 -3.614 1.00 0.83 H new ATOM 0 HD21 LEU A 45 -3.761 5.234 -4.222 1.00 2.94 H new ATOM 0 HD22 LEU A 45 -4.917 3.977 -4.723 1.00 2.94 H new ATOM 0 HD23 LEU A 45 -5.488 5.404 -3.826 1.00 2.94 H new ATOM 681 N HIS A 46 -5.125 3.978 1.255 1.00 0.75 N ATOM 682 CA HIS A 46 -5.091 5.052 2.259 1.00 0.74 C ATOM 683 C HIS A 46 -3.753 5.838 2.286 1.00 0.69 C ATOM 684 O HIS A 46 -2.682 5.339 1.926 1.00 0.67 O ATOM 685 CB HIS A 46 -5.395 4.492 3.667 1.00 0.91 C ATOM 686 CG HIS A 46 -6.832 4.166 4.039 1.00 0.96 C ATOM 687 ND1 HIS A 46 -7.309 4.143 5.352 1.00 1.07 N ATOM 688 CD2 HIS A 46 -7.873 3.861 3.210 1.00 0.96 C ATOM 689 CE1 HIS A 46 -8.599 3.778 5.276 1.00 1.11 C ATOM 690 NE2 HIS A 46 -8.969 3.587 4.002 1.00 1.07 N ATOM 0 H HIS A 46 -4.470 3.224 1.461 1.00 0.75 H new ATOM 0 HA HIS A 46 -5.866 5.759 1.963 1.00 0.74 H new ATOM 0 HB2 HIS A 46 -4.809 3.582 3.792 1.00 0.91 H new ATOM 0 HB3 HIS A 46 -5.023 5.213 4.395 1.00 0.91 H new ATOM 0 HD2 HIS A 46 -7.844 3.838 2.131 1.00 0.96 H new ATOM 0 HE1 HIS A 46 -9.251 3.655 6.128 1.00 1.11 H new ATOM 0 HE2 HIS A 46 -9.890 3.293 3.678 1.00 1.07 H new ATOM 698 N GLU A 47 -3.836 7.087 2.746 1.00 0.72 N ATOM 699 CA GLU A 47 -2.716 7.994 3.050 1.00 0.75 C ATOM 700 C GLU A 47 -2.518 8.154 4.568 1.00 0.82 C ATOM 701 O GLU A 47 -3.435 7.851 5.337 1.00 0.91 O ATOM 702 CB GLU A 47 -2.957 9.377 2.413 1.00 0.79 C ATOM 703 CG GLU A 47 -4.231 10.066 2.924 1.00 0.86 C ATOM 704 CD GLU A 47 -4.267 11.542 2.562 1.00 1.02 C ATOM 705 OE1 GLU A 47 -3.457 12.304 3.127 1.00 1.79 O ATOM 706 OE2 GLU A 47 -5.214 11.973 1.869 1.00 1.82 O ATOM 0 H GLU A 47 -4.739 7.524 2.929 1.00 0.72 H new ATOM 0 HA GLU A 47 -1.812 7.552 2.630 1.00 0.75 H new ATOM 0 HB2 GLU A 47 -2.099 10.018 2.616 1.00 0.79 H new ATOM 0 HB3 GLU A 47 -3.022 9.265 1.331 1.00 0.79 H new ATOM 0 HG2 GLU A 47 -5.105 9.569 2.504 1.00 0.86 H new ATOM 0 HG3 GLU A 47 -4.292 9.957 4.007 1.00 0.86 H new ATOM 713 N THR A 48 -1.363 8.691 4.988 1.00 0.97 N ATOM 714 CA THR A 48 -1.079 9.104 6.372 1.00 1.09 C ATOM 715 C THR A 48 -0.520 10.525 6.350 1.00 1.18 C ATOM 716 O THR A 48 0.600 10.738 5.886 1.00 1.29 O ATOM 717 CB THR A 48 -0.065 8.165 7.031 1.00 1.26 C ATOM 718 OG1 THR A 48 -0.443 6.811 6.921 1.00 1.30 O ATOM 719 CG2 THR A 48 0.104 8.493 8.516 1.00 1.44 C ATOM 0 H THR A 48 -0.578 8.855 4.357 1.00 0.97 H new ATOM 0 HA THR A 48 -2.002 9.064 6.951 1.00 1.09 H new ATOM 0 HB THR A 48 0.875 8.317 6.501 1.00 1.26 H new ATOM 0 HG1 THR A 48 0.317 6.239 7.156 1.00 1.30 H new ATOM 0 HG21 THR A 48 0.830 7.811 8.959 1.00 1.44 H new ATOM 0 HG22 THR A 48 0.457 9.519 8.624 1.00 1.44 H new ATOM 0 HG23 THR A 48 -0.854 8.383 9.024 1.00 1.44 H new ATOM 727 N PHE A 49 -1.286 11.487 6.868 1.00 1.30 N ATOM 728 CA PHE A 49 -0.972 12.917 6.830 1.00 1.41 C ATOM 729 C PHE A 49 -0.672 13.511 8.216 1.00 1.52 C ATOM 730 O PHE A 49 -1.172 13.055 9.246 1.00 1.57 O ATOM 731 CB PHE A 49 -2.125 13.676 6.146 1.00 1.31 C ATOM 732 CG PHE A 49 -3.450 13.661 6.893 1.00 1.17 C ATOM 733 CD1 PHE A 49 -3.723 14.633 7.876 1.00 1.96 C ATOM 734 CD2 PHE A 49 -4.413 12.671 6.621 1.00 2.05 C ATOM 735 CE1 PHE A 49 -4.929 14.609 8.594 1.00 1.95 C ATOM 736 CE2 PHE A 49 -5.616 12.642 7.342 1.00 2.02 C ATOM 737 CZ PHE A 49 -5.875 13.607 8.327 1.00 1.10 C ATOM 0 H PHE A 49 -2.168 11.287 7.339 1.00 1.30 H new ATOM 0 HA PHE A 49 -0.055 13.033 6.252 1.00 1.41 H new ATOM 0 HB2 PHE A 49 -1.820 14.713 6.002 1.00 1.31 H new ATOM 0 HB3 PHE A 49 -2.281 13.249 5.155 1.00 1.31 H new ATOM 0 HD1 PHE A 49 -2.996 15.405 8.079 1.00 1.96 H new ATOM 0 HD2 PHE A 49 -4.225 11.932 5.856 1.00 2.05 H new ATOM 0 HE1 PHE A 49 -5.128 15.357 9.347 1.00 1.95 H new ATOM 0 HE2 PHE A 49 -6.346 11.873 7.138 1.00 2.02 H new ATOM 0 HZ PHE A 49 -6.802 13.579 8.880 1.00 1.10 H new ATOM 747 N MET A 50 0.102 14.603 8.228 1.00 1.65 N ATOM 748 CA MET A 50 0.253 15.512 9.379 1.00 1.72 C ATOM 749 C MET A 50 -0.639 16.758 9.216 1.00 1.65 C ATOM 750 O MET A 50 -1.088 17.059 8.110 1.00 1.94 O ATOM 751 CB MET A 50 1.743 15.837 9.606 1.00 2.02 C ATOM 752 CG MET A 50 2.363 16.754 8.543 1.00 2.16 C ATOM 753 SD MET A 50 2.134 18.526 8.843 1.00 3.35 S ATOM 754 CE MET A 50 2.605 19.140 7.208 1.00 3.64 C ATOM 0 H MET A 50 0.655 14.889 7.420 1.00 1.65 H new ATOM 0 HA MET A 50 -0.097 15.018 10.286 1.00 1.72 H new ATOM 0 HB2 MET A 50 1.855 16.307 10.583 1.00 2.02 H new ATOM 0 HB3 MET A 50 2.305 14.904 9.635 1.00 2.02 H new ATOM 0 HG2 MET A 50 3.431 16.545 8.481 1.00 2.16 H new ATOM 0 HG3 MET A 50 1.933 16.505 7.573 1.00 2.16 H new ATOM 0 HE1 MET A 50 2.528 20.227 7.192 1.00 3.64 H new ATOM 0 HE2 MET A 50 3.632 18.846 6.991 1.00 3.64 H new ATOM 0 HE3 MET A 50 1.939 18.718 6.455 1.00 3.64 H new ATOM 764 N ARG A 51 -0.942 17.444 10.327 1.00 1.64 N ATOM 765 CA ARG A 51 -1.966 18.497 10.426 1.00 1.73 C ATOM 766 C ARG A 51 -1.837 19.284 11.743 1.00 1.71 C ATOM 767 O ARG A 51 -1.522 18.693 12.778 1.00 1.77 O ATOM 768 CB ARG A 51 -3.348 17.821 10.255 1.00 1.99 C ATOM 769 CG ARG A 51 -4.579 18.731 10.391 1.00 3.08 C ATOM 770 CD ARG A 51 -5.212 18.649 11.786 1.00 4.73 C ATOM 771 NE ARG A 51 -6.152 19.756 11.988 1.00 6.01 N ATOM 772 CZ ARG A 51 -7.477 19.761 12.029 1.00 7.10 C ATOM 773 NH1 ARG A 51 -8.203 18.675 11.851 1.00 7.23 N ATOM 774 NH2 ARG A 51 -8.089 20.905 12.258 1.00 8.40 N ATOM 0 H ARG A 51 -0.465 17.276 11.213 1.00 1.64 H new ATOM 0 HA ARG A 51 -1.834 19.240 9.640 1.00 1.73 H new ATOM 0 HB2 ARG A 51 -3.378 17.351 9.272 1.00 1.99 H new ATOM 0 HB3 ARG A 51 -3.431 17.023 10.993 1.00 1.99 H new ATOM 0 HG2 ARG A 51 -4.291 19.762 10.185 1.00 3.08 H new ATOM 0 HG3 ARG A 51 -5.319 18.451 9.641 1.00 3.08 H new ATOM 0 HD2 ARG A 51 -5.731 17.697 11.901 1.00 4.73 H new ATOM 0 HD3 ARG A 51 -4.433 18.681 12.548 1.00 4.73 H new ATOM 0 HE ARG A 51 -5.716 20.669 12.118 1.00 6.01 H new ATOM 0 HH11 ARG A 51 -7.747 17.780 11.672 1.00 7.23 H new ATOM 0 HH12 ARG A 51 -9.221 18.730 11.892 1.00 7.23 H new ATOM 0 HH21 ARG A 51 -7.544 21.756 12.398 1.00 8.40 H new ATOM 0 HH22 ARG A 51 -9.108 20.940 12.295 1.00 8.40 H new ATOM 788 N GLU A 52 -2.159 20.581 11.724 1.00 1.72 N ATOM 789 CA GLU A 52 -2.184 21.449 12.908 1.00 1.77 C ATOM 790 C GLU A 52 -3.614 21.727 13.399 1.00 1.76 C ATOM 791 O GLU A 52 -4.533 21.906 12.600 1.00 1.86 O ATOM 792 CB GLU A 52 -1.461 22.784 12.622 1.00 2.01 C ATOM 793 CG GLU A 52 -0.418 23.108 13.692 1.00 2.77 C ATOM 794 CD GLU A 52 0.737 22.110 13.754 1.00 3.76 C ATOM 795 OE1 GLU A 52 0.938 21.285 12.835 1.00 3.74 O ATOM 796 OE2 GLU A 52 1.501 22.152 14.736 1.00 5.05 O ATOM 0 H GLU A 52 -2.416 21.069 10.866 1.00 1.72 H new ATOM 0 HA GLU A 52 -1.659 20.914 13.700 1.00 1.77 H new ATOM 0 HB2 GLU A 52 -0.977 22.733 11.647 1.00 2.01 H new ATOM 0 HB3 GLU A 52 -2.193 23.590 12.573 1.00 2.01 H new ATOM 0 HG2 GLU A 52 -0.015 24.103 13.503 1.00 2.77 H new ATOM 0 HG3 GLU A 52 -0.908 23.142 14.665 1.00 2.77 H new ATOM 803 N VAL A 53 -3.800 21.812 14.717 1.00 1.81 N ATOM 804 CA VAL A 53 -5.038 22.236 15.389 1.00 1.99 C ATOM 805 C VAL A 53 -4.691 22.837 16.754 1.00 2.45 C ATOM 806 O VAL A 53 -3.838 22.291 17.441 1.00 3.92 O ATOM 807 CB VAL A 53 -6.061 21.092 15.472 1.00 1.80 C ATOM 808 CG1 VAL A 53 -5.609 19.974 16.403 1.00 2.32 C ATOM 809 CG2 VAL A 53 -7.457 21.604 15.862 1.00 3.50 C ATOM 0 H VAL A 53 -3.060 21.577 15.379 1.00 1.81 H new ATOM 0 HA VAL A 53 -5.525 23.011 14.797 1.00 1.99 H new ATOM 0 HB VAL A 53 -6.128 20.668 14.470 1.00 1.80 H new ATOM 0 HG11 VAL A 53 -6.367 19.191 16.426 1.00 2.32 H new ATOM 0 HG12 VAL A 53 -4.668 19.558 16.042 1.00 2.32 H new ATOM 0 HG13 VAL A 53 -5.468 20.372 17.408 1.00 2.32 H new ATOM 0 HG21 VAL A 53 -8.152 20.765 15.910 1.00 3.50 H new ATOM 0 HG22 VAL A 53 -7.407 22.090 16.836 1.00 3.50 H new ATOM 0 HG23 VAL A 53 -7.803 22.320 15.117 1.00 3.50 H new ATOM 819 N GLU A 54 -5.262 24.003 17.094 1.00 1.99 N ATOM 820 CA GLU A 54 -4.903 24.798 18.293 1.00 2.15 C ATOM 821 C GLU A 54 -3.472 25.397 18.207 1.00 2.12 C ATOM 822 O GLU A 54 -2.956 25.947 19.178 1.00 2.27 O ATOM 823 CB GLU A 54 -5.074 23.937 19.564 1.00 2.19 C ATOM 824 CG GLU A 54 -5.491 24.723 20.815 1.00 2.87 C ATOM 825 CD GLU A 54 -5.293 23.881 22.075 1.00 3.03 C ATOM 826 OE1 GLU A 54 -5.371 22.632 22.002 1.00 3.06 O ATOM 827 OE2 GLU A 54 -4.904 24.438 23.126 1.00 3.84 O ATOM 0 H GLU A 54 -6.000 24.433 16.537 1.00 1.99 H new ATOM 0 HA GLU A 54 -5.585 25.647 18.342 1.00 2.15 H new ATOM 0 HB2 GLU A 54 -5.821 23.168 19.368 1.00 2.19 H new ATOM 0 HB3 GLU A 54 -4.134 23.424 19.769 1.00 2.19 H new ATOM 0 HG2 GLU A 54 -4.904 25.638 20.888 1.00 2.87 H new ATOM 0 HG3 GLU A 54 -6.536 25.021 20.731 1.00 2.87 H new ATOM 834 N GLY A 55 -2.807 25.239 17.050 1.00 2.11 N ATOM 835 CA GLY A 55 -1.370 25.477 16.846 1.00 2.28 C ATOM 836 C GLY A 55 -0.481 24.300 17.271 1.00 2.36 C ATOM 837 O GLY A 55 0.738 24.406 17.214 1.00 2.83 O ATOM 0 H GLY A 55 -3.275 24.930 16.198 1.00 2.11 H new ATOM 0 HA2 GLY A 55 -1.193 25.692 15.792 1.00 2.28 H new ATOM 0 HA3 GLY A 55 -1.075 26.364 17.406 1.00 2.28 H new ATOM 841 N LYS A 56 -1.081 23.174 17.673 1.00 2.04 N ATOM 842 CA LYS A 56 -0.431 21.910 18.007 1.00 2.18 C ATOM 843 C LYS A 56 -0.544 20.906 16.842 1.00 2.09 C ATOM 844 O LYS A 56 -1.551 20.883 16.124 1.00 1.79 O ATOM 845 CB LYS A 56 -1.134 21.345 19.254 1.00 2.20 C ATOM 846 CG LYS A 56 -1.113 22.274 20.482 1.00 2.61 C ATOM 847 CD LYS A 56 -2.013 21.721 21.594 1.00 3.00 C ATOM 848 CE LYS A 56 -2.139 22.752 22.721 1.00 3.27 C ATOM 849 NZ LYS A 56 -3.240 22.413 23.651 1.00 3.54 N ATOM 0 H LYS A 56 -2.094 23.122 17.779 1.00 2.04 H new ATOM 0 HA LYS A 56 0.630 22.076 18.196 1.00 2.18 H new ATOM 0 HB2 LYS A 56 -2.171 21.124 19.001 1.00 2.20 H new ATOM 0 HB3 LYS A 56 -0.663 20.400 19.523 1.00 2.20 H new ATOM 0 HG2 LYS A 56 -0.092 22.376 20.850 1.00 2.61 H new ATOM 0 HG3 LYS A 56 -1.450 23.271 20.196 1.00 2.61 H new ATOM 0 HD2 LYS A 56 -2.999 21.485 21.193 1.00 3.00 H new ATOM 0 HD3 LYS A 56 -1.596 20.792 21.983 1.00 3.00 H new ATOM 0 HE2 LYS A 56 -1.200 22.805 23.272 1.00 3.27 H new ATOM 0 HE3 LYS A 56 -2.314 23.739 22.294 1.00 3.27 H new ATOM 0 HZ1 LYS A 56 -3.765 23.277 23.897 1.00 3.54 H new ATOM 0 HZ2 LYS A 56 -3.883 21.735 23.195 1.00 3.54 H new ATOM 0 HZ3 LYS A 56 -2.846 21.989 24.515 1.00 3.54 H new ATOM 863 N LYS A 57 0.448 20.025 16.678 1.00 2.44 N ATOM 864 CA LYS A 57 0.460 19.029 15.595 1.00 2.42 C ATOM 865 C LYS A 57 -0.310 17.749 15.966 1.00 2.36 C ATOM 866 O LYS A 57 -0.311 17.336 17.124 1.00 2.76 O ATOM 867 CB LYS A 57 1.886 18.708 15.082 1.00 2.83 C ATOM 868 CG LYS A 57 3.073 19.422 15.763 1.00 3.55 C ATOM 869 CD LYS A 57 4.382 19.347 14.956 1.00 4.05 C ATOM 870 CE LYS A 57 4.284 19.869 13.510 1.00 3.78 C ATOM 871 NZ LYS A 57 3.651 21.208 13.417 1.00 4.30 N ATOM 0 H LYS A 57 1.264 19.980 17.288 1.00 2.44 H new ATOM 0 HA LYS A 57 -0.070 19.495 14.764 1.00 2.42 H new ATOM 0 HB2 LYS A 57 2.042 17.633 15.177 1.00 2.83 H new ATOM 0 HB3 LYS A 57 1.920 18.942 14.018 1.00 2.83 H new ATOM 0 HG2 LYS A 57 2.814 20.469 15.922 1.00 3.55 H new ATOM 0 HG3 LYS A 57 3.236 18.981 16.746 1.00 3.55 H new ATOM 0 HD2 LYS A 57 5.149 19.917 15.481 1.00 4.05 H new ATOM 0 HD3 LYS A 57 4.717 18.310 14.930 1.00 4.05 H new ATOM 0 HE2 LYS A 57 5.284 19.915 13.078 1.00 3.78 H new ATOM 0 HE3 LYS A 57 3.711 19.160 12.912 1.00 3.78 H new ATOM 0 HZ1 LYS A 57 2.889 21.183 12.710 1.00 4.30 H new ATOM 0 HZ2 LYS A 57 3.257 21.471 14.343 1.00 4.30 H new ATOM 0 HZ3 LYS A 57 4.364 21.910 13.133 1.00 4.30 H new ATOM 885 N VAL A 58 -0.899 17.095 14.965 1.00 2.01 N ATOM 886 CA VAL A 58 -1.605 15.806 15.057 1.00 1.92 C ATOM 887 C VAL A 58 -1.539 15.090 13.697 1.00 1.77 C ATOM 888 O VAL A 58 -1.396 15.745 12.664 1.00 1.67 O ATOM 889 CB VAL A 58 -3.057 16.009 15.566 1.00 1.86 C ATOM 890 CG1 VAL A 58 -3.924 16.844 14.605 1.00 2.09 C ATOM 891 CG2 VAL A 58 -3.761 14.680 15.876 1.00 3.33 C ATOM 0 H VAL A 58 -0.899 17.466 14.015 1.00 2.01 H new ATOM 0 HA VAL A 58 -1.115 15.165 15.790 1.00 1.92 H new ATOM 0 HB VAL A 58 -2.951 16.571 16.494 1.00 1.86 H new ATOM 0 HG11 VAL A 58 -4.927 16.949 15.018 1.00 2.09 H new ATOM 0 HG12 VAL A 58 -3.479 17.831 14.477 1.00 2.09 H new ATOM 0 HG13 VAL A 58 -3.981 16.344 13.638 1.00 2.09 H new ATOM 0 HG21 VAL A 58 -4.773 14.878 16.228 1.00 3.33 H new ATOM 0 HG22 VAL A 58 -3.804 14.072 14.973 1.00 3.33 H new ATOM 0 HG23 VAL A 58 -3.206 14.146 16.647 1.00 3.33 H new ATOM 901 N MET A 59 -1.605 13.755 13.690 1.00 1.88 N ATOM 902 CA MET A 59 -1.620 12.934 12.468 1.00 1.74 C ATOM 903 C MET A 59 -2.965 12.226 12.266 1.00 1.65 C ATOM 904 O MET A 59 -3.686 11.975 13.229 1.00 1.91 O ATOM 905 CB MET A 59 -0.473 11.918 12.494 1.00 1.89 C ATOM 906 CG MET A 59 0.851 12.623 12.172 1.00 1.97 C ATOM 907 SD MET A 59 2.340 11.723 12.662 1.00 2.93 S ATOM 908 CE MET A 59 2.145 11.900 14.451 1.00 3.82 C ATOM 0 H MET A 59 -1.650 13.202 14.546 1.00 1.88 H new ATOM 0 HA MET A 59 -1.480 13.606 11.621 1.00 1.74 H new ATOM 0 HB2 MET A 59 -0.415 11.446 13.475 1.00 1.89 H new ATOM 0 HB3 MET A 59 -0.660 11.126 11.769 1.00 1.89 H new ATOM 0 HG2 MET A 59 0.894 12.808 11.099 1.00 1.97 H new ATOM 0 HG3 MET A 59 0.855 13.596 12.664 1.00 1.97 H new ATOM 0 HE1 MET A 59 3.115 11.790 14.935 1.00 3.82 H new ATOM 0 HE2 MET A 59 1.736 12.885 14.677 1.00 3.82 H new ATOM 0 HE3 MET A 59 1.466 11.132 14.821 1.00 3.82 H new ATOM 918 N GLY A 60 -3.292 11.884 11.019 1.00 1.44 N ATOM 919 CA GLY A 60 -4.474 11.091 10.664 1.00 1.42 C ATOM 920 C GLY A 60 -4.316 10.360 9.333 1.00 1.20 C ATOM 921 O GLY A 60 -3.311 10.521 8.645 1.00 1.27 O ATOM 0 H GLY A 60 -2.733 12.155 10.210 1.00 1.44 H new ATOM 0 HA2 GLY A 60 -4.668 10.364 11.452 1.00 1.42 H new ATOM 0 HA3 GLY A 60 -5.344 11.746 10.613 1.00 1.42 H new ATOM 925 N MET A 61 -5.325 9.572 8.962 1.00 1.25 N ATOM 926 CA MET A 61 -5.398 8.830 7.696 1.00 1.14 C ATOM 927 C MET A 61 -6.693 9.172 6.946 1.00 1.11 C ATOM 928 O MET A 61 -7.672 9.585 7.568 1.00 1.25 O ATOM 929 CB MET A 61 -5.344 7.310 7.957 1.00 1.42 C ATOM 930 CG MET A 61 -4.016 6.793 8.528 1.00 1.53 C ATOM 931 SD MET A 61 -3.692 7.125 10.281 1.00 1.87 S ATOM 932 CE MET A 61 -2.186 6.139 10.454 1.00 2.11 C ATOM 0 H MET A 61 -6.144 9.425 9.552 1.00 1.25 H new ATOM 0 HA MET A 61 -4.543 9.120 7.085 1.00 1.14 H new ATOM 0 HB2 MET A 61 -6.145 7.047 8.648 1.00 1.42 H new ATOM 0 HB3 MET A 61 -5.546 6.789 7.021 1.00 1.42 H new ATOM 0 HG2 MET A 61 -3.978 5.715 8.374 1.00 1.53 H new ATOM 0 HG3 MET A 61 -3.204 7.227 7.945 1.00 1.53 H new ATOM 0 HE1 MET A 61 -1.613 6.497 11.309 1.00 2.11 H new ATOM 0 HE2 MET A 61 -2.452 5.093 10.608 1.00 2.11 H new ATOM 0 HE3 MET A 61 -1.585 6.231 9.550 1.00 2.11 H new ATOM 942 N ARG A 62 -6.719 8.963 5.623 1.00 1.04 N ATOM 943 CA ARG A 62 -7.947 8.852 4.808 1.00 1.01 C ATOM 944 C ARG A 62 -7.725 7.772 3.735 1.00 0.78 C ATOM 945 O ARG A 62 -6.571 7.600 3.336 1.00 0.72 O ATOM 946 CB ARG A 62 -8.302 10.142 4.027 1.00 1.36 C ATOM 947 CG ARG A 62 -8.251 11.510 4.735 1.00 1.51 C ATOM 948 CD ARG A 62 -7.124 12.344 4.114 1.00 2.11 C ATOM 949 NE ARG A 62 -6.997 13.697 4.680 1.00 3.27 N ATOM 950 CZ ARG A 62 -6.133 14.607 4.229 1.00 4.76 C ATOM 951 NH1 ARG A 62 -5.436 14.437 3.130 1.00 5.37 N ATOM 952 NH2 ARG A 62 -5.939 15.721 4.901 1.00 6.36 N ATOM 0 H ARG A 62 -5.867 8.863 5.071 1.00 1.04 H new ATOM 0 HA ARG A 62 -8.752 8.630 5.509 1.00 1.01 H new ATOM 0 HB2 ARG A 62 -7.632 10.196 3.169 1.00 1.36 H new ATOM 0 HB3 ARG A 62 -9.312 10.017 3.636 1.00 1.36 H new ATOM 0 HG2 ARG A 62 -9.205 12.026 4.629 1.00 1.51 H new ATOM 0 HG3 ARG A 62 -8.078 11.376 5.803 1.00 1.51 H new ATOM 0 HD2 ARG A 62 -6.180 11.816 4.247 1.00 2.11 H new ATOM 0 HD3 ARG A 62 -7.295 12.425 3.041 1.00 2.11 H new ATOM 0 HE ARG A 62 -7.603 13.952 5.460 1.00 3.27 H new ATOM 0 HH11 ARG A 62 -5.545 13.582 2.584 1.00 5.37 H new ATOM 0 HH12 ARG A 62 -4.786 15.160 2.821 1.00 5.37 H new ATOM 0 HH21 ARG A 62 -6.450 15.889 5.768 1.00 6.36 H new ATOM 0 HH22 ARG A 62 -5.278 16.417 4.555 1.00 6.36 H new ATOM 966 N PRO A 63 -8.766 7.145 3.161 1.00 0.80 N ATOM 967 CA PRO A 63 -8.667 6.635 1.804 1.00 0.72 C ATOM 968 C PRO A 63 -8.451 7.787 0.819 1.00 0.59 C ATOM 969 O PRO A 63 -9.015 8.867 0.980 1.00 0.65 O ATOM 970 CB PRO A 63 -9.939 5.838 1.520 1.00 0.86 C ATOM 971 CG PRO A 63 -10.931 6.384 2.536 1.00 1.07 C ATOM 972 CD PRO A 63 -10.107 6.970 3.687 1.00 0.94 C ATOM 0 HA PRO A 63 -7.807 5.976 1.686 1.00 0.72 H new ATOM 0 HB2 PRO A 63 -10.287 5.988 0.498 1.00 0.86 H new ATOM 0 HB3 PRO A 63 -9.780 4.767 1.649 1.00 0.86 H new ATOM 0 HG2 PRO A 63 -11.565 7.148 2.086 1.00 1.07 H new ATOM 0 HG3 PRO A 63 -11.591 5.594 2.896 1.00 1.07 H new ATOM 0 HD2 PRO A 63 -10.523 7.920 4.022 1.00 0.94 H new ATOM 0 HD3 PRO A 63 -10.106 6.301 4.548 1.00 0.94 H new ATOM 980 N VAL A 64 -7.612 7.534 -0.185 1.00 0.47 N ATOM 981 CA VAL A 64 -7.248 8.455 -1.278 1.00 0.52 C ATOM 982 C VAL A 64 -7.883 7.993 -2.596 1.00 0.60 C ATOM 983 O VAL A 64 -8.118 6.792 -2.756 1.00 0.63 O ATOM 984 CB VAL A 64 -5.715 8.581 -1.484 1.00 0.64 C ATOM 985 CG1 VAL A 64 -5.182 9.851 -0.817 1.00 0.78 C ATOM 986 CG2 VAL A 64 -4.909 7.366 -1.004 1.00 0.69 C ATOM 0 H VAL A 64 -7.139 6.634 -0.268 1.00 0.47 H new ATOM 0 HA VAL A 64 -7.627 9.435 -0.987 1.00 0.52 H new ATOM 0 HB VAL A 64 -5.575 8.633 -2.564 1.00 0.64 H new ATOM 0 HG11 VAL A 64 -4.105 9.920 -0.973 1.00 0.78 H new ATOM 0 HG12 VAL A 64 -5.669 10.723 -1.254 1.00 0.78 H new ATOM 0 HG13 VAL A 64 -5.392 9.816 0.252 1.00 0.78 H new ATOM 0 HG21 VAL A 64 -3.848 7.538 -1.186 1.00 0.69 H new ATOM 0 HG22 VAL A 64 -5.075 7.218 0.063 1.00 0.69 H new ATOM 0 HG23 VAL A 64 -5.231 6.478 -1.548 1.00 0.69 H new ATOM 996 N PRO A 65 -8.142 8.906 -3.554 1.00 0.80 N ATOM 997 CA PRO A 65 -8.839 8.570 -4.789 1.00 0.91 C ATOM 998 C PRO A 65 -7.992 7.715 -5.740 1.00 0.70 C ATOM 999 O PRO A 65 -8.577 6.901 -6.447 1.00 0.70 O ATOM 1000 CB PRO A 65 -9.216 9.914 -5.422 1.00 1.22 C ATOM 1001 CG PRO A 65 -8.138 10.865 -4.910 1.00 1.23 C ATOM 1002 CD PRO A 65 -7.865 10.335 -3.503 1.00 1.07 C ATOM 0 HA PRO A 65 -9.715 7.956 -4.582 1.00 0.91 H new ATOM 0 HB2 PRO A 65 -9.218 9.858 -6.511 1.00 1.22 H new ATOM 0 HB3 PRO A 65 -10.212 10.235 -5.118 1.00 1.22 H new ATOM 0 HG2 PRO A 65 -7.244 10.838 -5.534 1.00 1.23 H new ATOM 0 HG3 PRO A 65 -8.484 11.898 -4.894 1.00 1.23 H new ATOM 0 HD2 PRO A 65 -6.832 10.522 -3.209 1.00 1.07 H new ATOM 0 HD3 PRO A 65 -8.501 10.830 -2.769 1.00 1.07 H new ATOM 1010 N PHE A 66 -6.656 7.875 -5.747 1.00 0.70 N ATOM 1011 CA PHE A 66 -5.702 7.234 -6.650 1.00 0.78 C ATOM 1012 C PHE A 66 -4.390 7.986 -6.552 1.00 1.24 C ATOM 1013 O PHE A 66 -4.357 9.200 -6.345 1.00 1.78 O ATOM 1014 CB PHE A 66 -6.121 7.148 -8.128 1.00 0.86 C ATOM 1015 CG PHE A 66 -6.307 8.454 -8.875 1.00 1.21 C ATOM 1016 CD1 PHE A 66 -5.189 9.111 -9.426 1.00 2.13 C ATOM 1017 CD2 PHE A 66 -7.594 8.987 -9.071 1.00 2.60 C ATOM 1018 CE1 PHE A 66 -5.353 10.299 -10.156 1.00 2.37 C ATOM 1019 CE2 PHE A 66 -7.760 10.174 -9.806 1.00 2.84 C ATOM 1020 CZ PHE A 66 -6.641 10.831 -10.349 1.00 1.95 C ATOM 0 H PHE A 66 -6.193 8.493 -5.080 1.00 0.70 H new ATOM 0 HA PHE A 66 -5.632 6.197 -6.322 1.00 0.78 H new ATOM 0 HB2 PHE A 66 -5.371 6.560 -8.658 1.00 0.86 H new ATOM 0 HB3 PHE A 66 -7.057 6.593 -8.181 1.00 0.86 H new ATOM 0 HD1 PHE A 66 -4.201 8.699 -9.286 1.00 2.13 H new ATOM 0 HD2 PHE A 66 -8.455 8.484 -8.657 1.00 2.60 H new ATOM 0 HE1 PHE A 66 -4.492 10.804 -10.569 1.00 2.37 H new ATOM 0 HE2 PHE A 66 -8.749 10.582 -9.954 1.00 2.84 H new ATOM 0 HZ PHE A 66 -6.770 11.743 -10.913 1.00 1.95 H new ATOM 1030 N LEU A 67 -3.310 7.241 -6.732 1.00 1.01 N ATOM 1031 CA LEU A 67 -1.948 7.748 -6.672 1.00 0.90 C ATOM 1032 C LEU A 67 -1.293 7.506 -8.013 1.00 0.75 C ATOM 1033 O LEU A 67 -1.549 6.505 -8.677 1.00 0.90 O ATOM 1034 CB LEU A 67 -1.192 7.035 -5.543 1.00 0.82 C ATOM 1035 CG LEU A 67 -1.362 7.658 -4.142 1.00 1.24 C ATOM 1036 CD1 LEU A 67 -2.691 8.327 -3.832 1.00 4.04 C ATOM 1037 CD2 LEU A 67 -1.000 6.611 -3.086 1.00 2.43 C ATOM 0 H LEU A 67 -3.358 6.241 -6.929 1.00 1.01 H new ATOM 0 HA LEU A 67 -1.937 8.817 -6.461 1.00 0.90 H new ATOM 0 HB2 LEU A 67 -1.524 5.997 -5.504 1.00 0.82 H new ATOM 0 HB3 LEU A 67 -0.131 7.021 -5.790 1.00 0.82 H new ATOM 0 HG LEU A 67 -0.674 8.503 -4.123 1.00 1.24 H new ATOM 0 HD11 LEU A 67 -2.672 8.720 -2.816 1.00 4.04 H new ATOM 0 HD12 LEU A 67 -2.860 9.144 -4.534 1.00 4.04 H new ATOM 0 HD13 LEU A 67 -3.496 7.598 -3.924 1.00 4.04 H new ATOM 0 HD21 LEU A 67 -1.117 7.042 -2.092 1.00 2.43 H new ATOM 0 HD22 LEU A 67 -1.659 5.749 -3.188 1.00 2.43 H new ATOM 0 HD23 LEU A 67 0.034 6.296 -3.226 1.00 2.43 H new ATOM 1049 N GLU A 68 -0.434 8.432 -8.403 1.00 0.93 N ATOM 1050 CA GLU A 68 0.202 8.365 -9.715 1.00 0.92 C ATOM 1051 C GLU A 68 1.663 8.792 -9.712 1.00 1.09 C ATOM 1052 O GLU A 68 2.127 9.491 -8.814 1.00 1.39 O ATOM 1053 CB GLU A 68 -0.695 8.989 -10.795 1.00 1.08 C ATOM 1054 CG GLU A 68 -0.182 10.233 -11.512 1.00 1.84 C ATOM 1055 CD GLU A 68 -1.002 10.392 -12.796 1.00 2.37 C ATOM 1056 OE1 GLU A 68 -2.249 10.450 -12.686 1.00 2.52 O ATOM 1057 OE2 GLU A 68 -0.425 10.318 -13.902 1.00 3.36 O ATOM 0 H GLU A 68 -0.160 9.235 -7.837 1.00 0.93 H new ATOM 0 HA GLU A 68 0.288 7.316 -9.998 1.00 0.92 H new ATOM 0 HB2 GLU A 68 -0.893 8.226 -11.548 1.00 1.08 H new ATOM 0 HB3 GLU A 68 -1.651 9.238 -10.334 1.00 1.08 H new ATOM 0 HG2 GLU A 68 -0.288 11.113 -10.877 1.00 1.84 H new ATOM 0 HG3 GLU A 68 0.878 10.133 -11.744 1.00 1.84 H new ATOM 1064 N VAL A 69 2.380 8.270 -10.705 1.00 0.93 N ATOM 1065 CA VAL A 69 3.829 8.098 -10.681 1.00 0.84 C ATOM 1066 C VAL A 69 4.408 8.464 -12.049 1.00 0.79 C ATOM 1067 O VAL A 69 3.903 7.972 -13.059 1.00 0.82 O ATOM 1068 CB VAL A 69 4.197 6.624 -10.364 1.00 0.85 C ATOM 1069 CG1 VAL A 69 5.708 6.436 -10.169 1.00 0.84 C ATOM 1070 CG2 VAL A 69 3.471 6.059 -9.131 1.00 0.95 C ATOM 0 H VAL A 69 1.955 7.946 -11.574 1.00 0.93 H new ATOM 0 HA VAL A 69 4.242 8.746 -9.908 1.00 0.84 H new ATOM 0 HB VAL A 69 3.864 6.068 -11.240 1.00 0.85 H new ATOM 0 HG11 VAL A 69 5.919 5.389 -9.949 1.00 0.84 H new ATOM 0 HG12 VAL A 69 6.231 6.728 -11.079 1.00 0.84 H new ATOM 0 HG13 VAL A 69 6.048 7.057 -9.340 1.00 0.84 H new ATOM 0 HG21 VAL A 69 3.777 5.025 -8.970 1.00 0.95 H new ATOM 0 HG22 VAL A 69 3.727 6.654 -8.254 1.00 0.95 H new ATOM 0 HG23 VAL A 69 2.394 6.097 -9.294 1.00 0.95 H new ATOM 1080 N PRO A 70 5.474 9.280 -12.118 1.00 0.77 N ATOM 1081 CA PRO A 70 6.080 9.652 -13.385 1.00 0.77 C ATOM 1082 C PRO A 70 6.835 8.476 -14.033 1.00 0.75 C ATOM 1083 O PRO A 70 7.113 7.469 -13.373 1.00 0.75 O ATOM 1084 CB PRO A 70 7.016 10.817 -13.059 1.00 0.80 C ATOM 1085 CG PRO A 70 7.432 10.540 -11.616 1.00 0.78 C ATOM 1086 CD PRO A 70 6.165 9.934 -11.014 1.00 0.78 C ATOM 0 HA PRO A 70 5.325 9.936 -14.118 1.00 0.77 H new ATOM 0 HB2 PRO A 70 7.876 10.841 -13.728 1.00 0.80 H new ATOM 0 HB3 PRO A 70 6.511 11.778 -13.155 1.00 0.80 H new ATOM 0 HG2 PRO A 70 8.275 9.852 -11.562 1.00 0.78 H new ATOM 0 HG3 PRO A 70 7.731 11.451 -11.098 1.00 0.78 H new ATOM 0 HD2 PRO A 70 6.409 9.220 -10.227 1.00 0.78 H new ATOM 0 HD3 PRO A 70 5.540 10.704 -10.563 1.00 0.78 H new ATOM 1094 N PRO A 71 7.206 8.610 -15.317 1.00 0.78 N ATOM 1095 CA PRO A 71 8.152 7.723 -15.978 1.00 0.79 C ATOM 1096 C PRO A 71 9.486 7.662 -15.233 1.00 0.71 C ATOM 1097 O PRO A 71 9.934 8.667 -14.686 1.00 0.72 O ATOM 1098 CB PRO A 71 8.276 8.223 -17.412 1.00 0.95 C ATOM 1099 CG PRO A 71 7.563 9.570 -17.481 1.00 0.88 C ATOM 1100 CD PRO A 71 6.737 9.656 -16.207 1.00 0.83 C ATOM 0 HA PRO A 71 7.803 6.691 -15.978 1.00 0.79 H new ATOM 0 HB2 PRO A 71 9.324 8.327 -17.694 1.00 0.95 H new ATOM 0 HB3 PRO A 71 7.827 7.514 -18.107 1.00 0.95 H new ATOM 0 HG2 PRO A 71 8.278 10.390 -17.542 1.00 0.88 H new ATOM 0 HG3 PRO A 71 6.929 9.634 -18.365 1.00 0.88 H new ATOM 0 HD2 PRO A 71 6.849 10.635 -15.742 1.00 0.83 H new ATOM 0 HD3 PRO A 71 5.677 9.527 -16.427 1.00 0.83 H new ATOM 1108 N LYS A 72 10.081 6.462 -15.158 1.00 0.71 N ATOM 1109 CA LYS A 72 11.307 6.145 -14.392 1.00 0.72 C ATOM 1110 C LYS A 72 11.116 6.228 -12.857 1.00 0.74 C ATOM 1111 O LYS A 72 12.041 5.966 -12.087 1.00 0.89 O ATOM 1112 CB LYS A 72 12.498 6.986 -14.896 1.00 0.90 C ATOM 1113 CG LYS A 72 12.697 6.911 -16.419 1.00 1.11 C ATOM 1114 CD LYS A 72 13.257 5.559 -16.896 1.00 1.52 C ATOM 1115 CE LYS A 72 13.295 5.483 -18.429 1.00 1.73 C ATOM 1116 NZ LYS A 72 11.991 5.070 -18.990 1.00 1.48 N ATOM 0 H LYS A 72 9.709 5.648 -15.648 1.00 0.71 H new ATOM 0 HA LYS A 72 11.539 5.097 -14.581 1.00 0.72 H new ATOM 0 HB2 LYS A 72 12.347 8.026 -14.608 1.00 0.90 H new ATOM 0 HB3 LYS A 72 13.408 6.647 -14.401 1.00 0.90 H new ATOM 0 HG2 LYS A 72 11.743 7.095 -16.912 1.00 1.11 H new ATOM 0 HG3 LYS A 72 13.375 7.706 -16.729 1.00 1.11 H new ATOM 0 HD2 LYS A 72 14.262 5.418 -16.497 1.00 1.52 H new ATOM 0 HD3 LYS A 72 12.642 4.749 -16.504 1.00 1.52 H new ATOM 0 HE2 LYS A 72 13.574 6.456 -18.834 1.00 1.73 H new ATOM 0 HE3 LYS A 72 14.065 4.776 -18.739 1.00 1.73 H new ATOM 0 HZ1 LYS A 72 12.087 4.915 -20.014 1.00 1.48 H new ATOM 0 HZ2 LYS A 72 11.680 4.188 -18.534 1.00 1.48 H new ATOM 0 HZ3 LYS A 72 11.287 5.816 -18.817 1.00 1.48 H new ATOM 1130 N GLY A 73 9.909 6.579 -12.402 1.00 0.75 N ATOM 1131 CA GLY A 73 9.559 6.922 -11.026 1.00 0.91 C ATOM 1132 C GLY A 73 9.504 5.723 -10.104 1.00 0.72 C ATOM 1133 O GLY A 73 8.624 4.872 -10.187 1.00 0.85 O ATOM 0 H GLY A 73 9.103 6.634 -13.025 1.00 0.75 H new ATOM 0 HA2 GLY A 73 10.288 7.635 -10.640 1.00 0.91 H new ATOM 0 HA3 GLY A 73 8.590 7.421 -11.019 1.00 0.91 H new ATOM 1137 N ARG A 74 10.440 5.733 -9.165 1.00 0.92 N ATOM 1138 CA ARG A 74 10.424 4.925 -7.948 1.00 0.98 C ATOM 1139 C ARG A 74 9.528 5.584 -6.897 1.00 0.95 C ATOM 1140 O ARG A 74 9.655 6.779 -6.641 1.00 1.19 O ATOM 1141 CB ARG A 74 11.867 4.787 -7.438 1.00 1.51 C ATOM 1142 CG ARG A 74 12.108 4.053 -6.103 1.00 1.58 C ATOM 1143 CD ARG A 74 12.186 2.527 -6.224 1.00 1.37 C ATOM 1144 NE ARG A 74 12.807 1.945 -5.018 1.00 2.30 N ATOM 1145 CZ ARG A 74 13.240 0.697 -4.872 1.00 2.82 C ATOM 1146 NH1 ARG A 74 13.121 -0.216 -5.803 1.00 2.88 N ATOM 1147 NH2 ARG A 74 13.800 0.317 -3.749 1.00 4.16 N ATOM 0 H ARG A 74 11.266 6.328 -9.231 1.00 0.92 H new ATOM 0 HA ARG A 74 10.020 3.934 -8.154 1.00 0.98 H new ATOM 0 HB2 ARG A 74 12.443 4.273 -8.208 1.00 1.51 H new ATOM 0 HB3 ARG A 74 12.283 5.790 -7.345 1.00 1.51 H new ATOM 0 HG2 ARG A 74 13.036 4.418 -5.664 1.00 1.58 H new ATOM 0 HG3 ARG A 74 11.306 4.310 -5.411 1.00 1.58 H new ATOM 0 HD2 ARG A 74 11.186 2.115 -6.360 1.00 1.37 H new ATOM 0 HD3 ARG A 74 12.766 2.255 -7.106 1.00 1.37 H new ATOM 0 HE ARG A 74 12.915 2.564 -4.214 1.00 2.30 H new ATOM 0 HH11 ARG A 74 12.678 0.017 -6.692 1.00 2.88 H new ATOM 0 HH12 ARG A 74 13.471 -1.160 -5.639 1.00 2.88 H new ATOM 0 HH21 ARG A 74 13.905 0.981 -2.982 1.00 4.16 H new ATOM 0 HH22 ARG A 74 14.130 -0.642 -3.643 1.00 4.16 H new ATOM 1161 N VAL A 75 8.665 4.794 -6.267 1.00 0.89 N ATOM 1162 CA VAL A 75 7.758 5.204 -5.175 1.00 1.03 C ATOM 1163 C VAL A 75 7.589 4.065 -4.163 1.00 0.93 C ATOM 1164 O VAL A 75 8.035 2.943 -4.397 1.00 1.10 O ATOM 1165 CB VAL A 75 6.373 5.679 -5.682 1.00 1.41 C ATOM 1166 CG1 VAL A 75 6.460 7.014 -6.433 1.00 1.58 C ATOM 1167 CG2 VAL A 75 5.689 4.617 -6.554 1.00 1.57 C ATOM 0 H VAL A 75 8.566 3.807 -6.506 1.00 0.89 H new ATOM 0 HA VAL A 75 8.226 6.060 -4.688 1.00 1.03 H new ATOM 0 HB VAL A 75 5.760 5.835 -4.795 1.00 1.41 H new ATOM 0 HG11 VAL A 75 5.466 7.307 -6.770 1.00 1.58 H new ATOM 0 HG12 VAL A 75 6.859 7.780 -5.768 1.00 1.58 H new ATOM 0 HG13 VAL A 75 7.117 6.904 -7.295 1.00 1.58 H new ATOM 0 HG21 VAL A 75 4.721 4.990 -6.889 1.00 1.57 H new ATOM 0 HG22 VAL A 75 6.314 4.400 -7.420 1.00 1.57 H new ATOM 0 HG23 VAL A 75 5.546 3.706 -5.973 1.00 1.57 H new ATOM 1177 N GLU A 76 6.984 4.362 -3.008 1.00 1.28 N ATOM 1178 CA GLU A 76 6.994 3.468 -1.865 1.00 1.10 C ATOM 1179 C GLU A 76 5.925 3.861 -0.839 1.00 0.95 C ATOM 1180 O GLU A 76 5.987 4.947 -0.260 1.00 0.96 O ATOM 1181 CB GLU A 76 8.413 3.522 -1.295 1.00 1.28 C ATOM 1182 CG GLU A 76 8.677 2.502 -0.206 1.00 2.07 C ATOM 1183 CD GLU A 76 10.193 2.434 -0.044 1.00 2.53 C ATOM 1184 OE1 GLU A 76 10.704 3.235 0.771 1.00 3.02 O ATOM 1185 OE2 GLU A 76 10.825 1.718 -0.848 1.00 3.68 O ATOM 0 H GLU A 76 6.476 5.232 -2.848 1.00 1.28 H new ATOM 0 HA GLU A 76 6.743 2.447 -2.151 1.00 1.10 H new ATOM 0 HB2 GLU A 76 9.125 3.367 -2.105 1.00 1.28 H new ATOM 0 HB3 GLU A 76 8.596 4.520 -0.897 1.00 1.28 H new ATOM 0 HG2 GLU A 76 8.199 2.797 0.728 1.00 2.07 H new ATOM 0 HG3 GLU A 76 8.271 1.528 -0.478 1.00 2.07 H new ATOM 1192 N LEU A 77 4.961 2.963 -0.610 1.00 0.92 N ATOM 1193 CA LEU A 77 3.856 3.077 0.341 1.00 0.88 C ATOM 1194 C LEU A 77 4.356 2.821 1.771 1.00 0.93 C ATOM 1195 O LEU A 77 4.129 1.775 2.374 1.00 1.35 O ATOM 1196 CB LEU A 77 2.706 2.133 -0.073 1.00 0.86 C ATOM 1197 CG LEU A 77 1.837 2.630 -1.248 1.00 0.81 C ATOM 1198 CD1 LEU A 77 2.525 2.520 -2.617 1.00 0.80 C ATOM 1199 CD2 LEU A 77 0.519 1.845 -1.264 1.00 0.83 C ATOM 0 H LEU A 77 4.932 2.080 -1.119 1.00 0.92 H new ATOM 0 HA LEU A 77 3.457 4.091 0.326 1.00 0.88 H new ATOM 0 HB2 LEU A 77 3.130 1.165 -0.340 1.00 0.86 H new ATOM 0 HB3 LEU A 77 2.062 1.971 0.791 1.00 0.86 H new ATOM 0 HG LEU A 77 1.659 3.693 -1.083 1.00 0.81 H new ATOM 0 HD11 LEU A 77 1.853 2.888 -3.392 1.00 0.80 H new ATOM 0 HD12 LEU A 77 3.437 3.116 -2.615 1.00 0.80 H new ATOM 0 HD13 LEU A 77 2.773 1.478 -2.817 1.00 0.80 H new ATOM 0 HD21 LEU A 77 -0.100 2.191 -2.092 1.00 0.83 H new ATOM 0 HD22 LEU A 77 0.730 0.783 -1.387 1.00 0.83 H new ATOM 0 HD23 LEU A 77 -0.010 2.003 -0.324 1.00 0.83 H new ATOM 1211 N LYS A 78 5.091 3.795 2.296 1.00 0.85 N ATOM 1212 CA LYS A 78 5.627 3.831 3.657 1.00 0.87 C ATOM 1213 C LYS A 78 4.587 4.285 4.714 1.00 0.77 C ATOM 1214 O LYS A 78 3.739 5.110 4.386 1.00 0.77 O ATOM 1215 CB LYS A 78 6.903 4.691 3.639 1.00 0.98 C ATOM 1216 CG LYS A 78 6.790 6.073 2.941 1.00 1.01 C ATOM 1217 CD LYS A 78 8.194 6.640 2.667 1.00 1.40 C ATOM 1218 CE LYS A 78 8.878 5.834 1.546 1.00 2.39 C ATOM 1219 NZ LYS A 78 10.349 5.736 1.700 1.00 3.31 N ATOM 0 H LYS A 78 5.343 4.624 1.759 1.00 0.85 H new ATOM 0 HA LYS A 78 5.881 2.820 3.975 1.00 0.87 H new ATOM 0 HB2 LYS A 78 7.221 4.853 4.669 1.00 0.98 H new ATOM 0 HB3 LYS A 78 7.692 4.122 3.147 1.00 0.98 H new ATOM 0 HG2 LYS A 78 6.240 5.973 2.005 1.00 1.01 H new ATOM 0 HG3 LYS A 78 6.227 6.762 3.570 1.00 1.01 H new ATOM 0 HD2 LYS A 78 8.122 7.689 2.380 1.00 1.40 H new ATOM 0 HD3 LYS A 78 8.796 6.599 3.575 1.00 1.40 H new ATOM 0 HE2 LYS A 78 8.456 4.829 1.522 1.00 2.39 H new ATOM 0 HE3 LYS A 78 8.651 6.298 0.586 1.00 2.39 H new ATOM 0 HZ1 LYS A 78 10.699 4.913 1.170 1.00 3.31 H new ATOM 0 HZ2 LYS A 78 10.795 6.600 1.332 1.00 3.31 H new ATOM 0 HZ3 LYS A 78 10.586 5.626 2.707 1.00 3.31 H new ATOM 1233 N PRO A 79 4.654 3.786 5.973 1.00 0.75 N ATOM 1234 CA PRO A 79 3.597 3.938 6.986 1.00 0.73 C ATOM 1235 C PRO A 79 3.216 5.391 7.286 1.00 0.76 C ATOM 1236 O PRO A 79 2.029 5.712 7.246 1.00 0.85 O ATOM 1237 CB PRO A 79 4.092 3.205 8.242 1.00 0.78 C ATOM 1238 CG PRO A 79 5.589 3.014 8.014 1.00 0.85 C ATOM 1239 CD PRO A 79 5.695 2.912 6.496 1.00 0.82 C ATOM 0 HA PRO A 79 2.671 3.507 6.605 1.00 0.73 H new ATOM 0 HB2 PRO A 79 3.900 3.788 9.143 1.00 0.78 H new ATOM 0 HB3 PRO A 79 3.585 2.248 8.368 1.00 0.78 H new ATOM 0 HG2 PRO A 79 6.167 3.852 8.403 1.00 0.85 H new ATOM 0 HG3 PRO A 79 5.961 2.115 8.506 1.00 0.85 H new ATOM 0 HD2 PRO A 79 6.680 3.224 6.150 1.00 0.82 H new ATOM 0 HD3 PRO A 79 5.550 1.885 6.161 1.00 0.82 H new ATOM 1247 N GLY A 80 4.199 6.272 7.512 1.00 0.86 N ATOM 1248 CA GLY A 80 4.042 7.716 7.334 1.00 0.93 C ATOM 1249 C GLY A 80 4.316 8.030 5.869 1.00 0.84 C ATOM 1250 O GLY A 80 5.470 7.982 5.447 1.00 1.24 O ATOM 0 H GLY A 80 5.130 5.998 7.825 1.00 0.86 H new ATOM 0 HA2 GLY A 80 3.035 8.029 7.611 1.00 0.93 H new ATOM 0 HA3 GLY A 80 4.734 8.259 7.978 1.00 0.93 H new ATOM 1254 N GLY A 81 3.251 8.269 5.101 1.00 0.79 N ATOM 1255 CA GLY A 81 3.208 8.238 3.639 1.00 0.73 C ATOM 1256 C GLY A 81 1.860 7.699 3.156 1.00 0.65 C ATOM 1257 O GLY A 81 0.864 8.414 3.177 1.00 0.77 O ATOM 0 H GLY A 81 2.345 8.502 5.506 1.00 0.79 H new ATOM 0 HA2 GLY A 81 3.369 9.241 3.243 1.00 0.73 H new ATOM 0 HA3 GLY A 81 4.015 7.612 3.258 1.00 0.73 H new ATOM 1261 N TYR A 82 1.823 6.436 2.725 1.00 0.60 N ATOM 1262 CA TYR A 82 0.653 5.771 2.130 1.00 0.64 C ATOM 1263 C TYR A 82 0.665 4.269 2.448 1.00 0.67 C ATOM 1264 O TYR A 82 1.719 3.714 2.738 1.00 0.75 O ATOM 1265 CB TYR A 82 0.635 5.999 0.610 1.00 0.78 C ATOM 1266 CG TYR A 82 0.752 7.446 0.182 1.00 0.76 C ATOM 1267 CD1 TYR A 82 2.027 8.007 -0.028 1.00 1.64 C ATOM 1268 CD2 TYR A 82 -0.399 8.239 0.022 1.00 2.36 C ATOM 1269 CE1 TYR A 82 2.161 9.366 -0.358 1.00 1.71 C ATOM 1270 CE2 TYR A 82 -0.281 9.583 -0.374 1.00 2.33 C ATOM 1271 CZ TYR A 82 1.000 10.158 -0.546 1.00 0.79 C ATOM 1272 OH TYR A 82 1.107 11.471 -0.896 1.00 0.86 O ATOM 0 H TYR A 82 2.636 5.822 2.781 1.00 0.60 H new ATOM 0 HA TYR A 82 -0.250 6.203 2.561 1.00 0.64 H new ATOM 0 HB2 TYR A 82 1.454 5.436 0.163 1.00 0.78 H new ATOM 0 HB3 TYR A 82 -0.291 5.590 0.207 1.00 0.78 H new ATOM 0 HD1 TYR A 82 2.907 7.388 0.065 1.00 1.64 H new ATOM 0 HD2 TYR A 82 -1.375 7.815 0.204 1.00 2.36 H new ATOM 0 HE1 TYR A 82 3.142 9.805 -0.468 1.00 1.71 H new ATOM 0 HE2 TYR A 82 -1.167 10.176 -0.547 1.00 2.33 H new ATOM 0 HH TYR A 82 0.212 11.860 -0.984 1.00 0.86 H new ATOM 1282 N HIS A 83 -0.470 3.583 2.382 1.00 0.63 N ATOM 1283 CA HIS A 83 -0.585 2.152 2.673 1.00 0.67 C ATOM 1284 C HIS A 83 -1.926 1.609 2.157 1.00 0.64 C ATOM 1285 O HIS A 83 -2.872 2.377 1.984 1.00 0.66 O ATOM 1286 CB HIS A 83 -0.404 1.904 4.181 1.00 0.77 C ATOM 1287 CG HIS A 83 -1.409 2.610 5.057 1.00 0.84 C ATOM 1288 ND1 HIS A 83 -1.395 3.936 5.440 1.00 0.99 N ATOM 1289 CD2 HIS A 83 -2.514 2.045 5.627 1.00 0.87 C ATOM 1290 CE1 HIS A 83 -2.467 4.156 6.216 1.00 1.08 C ATOM 1291 NE2 HIS A 83 -3.168 3.024 6.378 1.00 1.01 N ATOM 0 H HIS A 83 -1.357 4.012 2.119 1.00 0.63 H new ATOM 0 HA HIS A 83 0.206 1.612 2.153 1.00 0.67 H new ATOM 0 HB2 HIS A 83 -0.466 0.832 4.370 1.00 0.77 H new ATOM 0 HB3 HIS A 83 0.598 2.221 4.471 1.00 0.77 H new ATOM 0 HD1 HIS A 83 -0.692 4.628 5.179 1.00 0.99 H new ATOM 0 HD2 HIS A 83 -2.828 1.018 5.516 1.00 0.87 H new ATOM 0 HE1 HIS A 83 -2.729 5.110 6.649 1.00 1.08 H new ATOM 1299 N PHE A 84 -2.039 0.300 1.932 1.00 0.70 N ATOM 1300 CA PHE A 84 -3.326 -0.315 1.612 1.00 0.76 C ATOM 1301 C PHE A 84 -3.938 -0.893 2.883 1.00 0.88 C ATOM 1302 O PHE A 84 -3.382 -1.826 3.464 1.00 1.14 O ATOM 1303 CB PHE A 84 -3.182 -1.401 0.547 1.00 0.89 C ATOM 1304 CG PHE A 84 -3.030 -0.884 -0.875 1.00 0.90 C ATOM 1305 CD1 PHE A 84 -4.145 -0.385 -1.585 1.00 2.36 C ATOM 1306 CD2 PHE A 84 -1.768 -0.902 -1.500 1.00 1.68 C ATOM 1307 CE1 PHE A 84 -4.006 0.034 -2.913 1.00 2.45 C ATOM 1308 CE2 PHE A 84 -1.621 -0.424 -2.815 1.00 1.65 C ATOM 1309 CZ PHE A 84 -2.742 0.045 -3.516 1.00 1.07 C ATOM 0 H PHE A 84 -1.256 -0.353 1.965 1.00 0.70 H new ATOM 0 HA PHE A 84 -3.984 0.453 1.204 1.00 0.76 H new ATOM 0 HB2 PHE A 84 -2.315 -2.015 0.790 1.00 0.89 H new ATOM 0 HB3 PHE A 84 -4.056 -2.051 0.591 1.00 0.89 H new ATOM 0 HD1 PHE A 84 -5.109 -0.327 -1.101 1.00 2.36 H new ATOM 0 HD2 PHE A 84 -0.910 -1.284 -0.968 1.00 1.68 H new ATOM 0 HE1 PHE A 84 -4.874 0.349 -3.473 1.00 2.45 H new ATOM 0 HE2 PHE A 84 -0.648 -0.418 -3.283 1.00 1.65 H new ATOM 0 HZ PHE A 84 -2.630 0.416 -4.524 1.00 1.07 H new ATOM 1319 N MET A 85 -5.097 -0.366 3.277 1.00 0.73 N ATOM 1320 CA MET A 85 -5.916 -0.866 4.385 1.00 0.73 C ATOM 1321 C MET A 85 -6.644 -2.143 3.970 1.00 0.70 C ATOM 1322 O MET A 85 -7.399 -2.152 2.996 1.00 0.79 O ATOM 1323 CB MET A 85 -6.915 0.213 4.847 1.00 0.79 C ATOM 1324 CG MET A 85 -6.474 0.941 6.119 1.00 0.80 C ATOM 1325 SD MET A 85 -6.283 -0.117 7.581 1.00 1.24 S ATOM 1326 CE MET A 85 -4.482 -0.078 7.685 1.00 0.82 C ATOM 0 H MET A 85 -5.507 0.448 2.819 1.00 0.73 H new ATOM 0 HA MET A 85 -5.263 -1.103 5.225 1.00 0.73 H new ATOM 0 HB2 MET A 85 -7.048 0.942 4.047 1.00 0.79 H new ATOM 0 HB3 MET A 85 -7.886 -0.251 5.020 1.00 0.79 H new ATOM 0 HG2 MET A 85 -5.525 1.440 5.924 1.00 0.80 H new ATOM 0 HG3 MET A 85 -7.203 1.720 6.345 1.00 0.80 H new ATOM 0 HE1 MET A 85 -4.141 -0.849 8.376 1.00 0.82 H new ATOM 0 HE2 MET A 85 -4.057 -0.261 6.698 1.00 0.82 H new ATOM 0 HE3 MET A 85 -4.159 0.899 8.044 1.00 0.82 H new ATOM 1336 N LEU A 86 -6.389 -3.217 4.718 1.00 0.63 N ATOM 1337 CA LEU A 86 -6.928 -4.560 4.528 1.00 0.57 C ATOM 1338 C LEU A 86 -7.948 -4.840 5.638 1.00 0.53 C ATOM 1339 O LEU A 86 -7.561 -5.048 6.787 1.00 0.69 O ATOM 1340 CB LEU A 86 -5.763 -5.574 4.582 1.00 0.58 C ATOM 1341 CG LEU A 86 -4.619 -5.363 3.569 1.00 0.71 C ATOM 1342 CD1 LEU A 86 -3.619 -6.522 3.687 1.00 1.51 C ATOM 1343 CD2 LEU A 86 -5.120 -5.258 2.120 1.00 1.36 C ATOM 0 H LEU A 86 -5.762 -3.167 5.521 1.00 0.63 H new ATOM 0 HA LEU A 86 -7.425 -4.648 3.562 1.00 0.57 H new ATOM 0 HB2 LEU A 86 -5.338 -5.552 5.586 1.00 0.58 H new ATOM 0 HB3 LEU A 86 -6.173 -6.573 4.431 1.00 0.58 H new ATOM 0 HG LEU A 86 -4.139 -4.414 3.810 1.00 0.71 H new ATOM 0 HD11 LEU A 86 -2.808 -6.377 2.973 1.00 1.51 H new ATOM 0 HD12 LEU A 86 -3.212 -6.550 4.698 1.00 1.51 H new ATOM 0 HD13 LEU A 86 -4.126 -7.463 3.474 1.00 1.51 H new ATOM 0 HD21 LEU A 86 -4.272 -5.110 1.452 1.00 1.36 H new ATOM 0 HD22 LEU A 86 -5.641 -6.176 1.848 1.00 1.36 H new ATOM 0 HD23 LEU A 86 -5.803 -4.413 2.032 1.00 1.36 H new ATOM 1355 N LEU A 87 -9.241 -4.831 5.308 1.00 0.60 N ATOM 1356 CA LEU A 87 -10.354 -5.017 6.244 1.00 0.64 C ATOM 1357 C LEU A 87 -10.984 -6.401 6.019 1.00 0.67 C ATOM 1358 O LEU A 87 -11.434 -6.711 4.912 1.00 0.94 O ATOM 1359 CB LEU A 87 -11.404 -3.903 6.022 1.00 0.72 C ATOM 1360 CG LEU A 87 -11.091 -2.477 6.529 1.00 1.02 C ATOM 1361 CD1 LEU A 87 -11.000 -2.413 8.057 1.00 1.29 C ATOM 1362 CD2 LEU A 87 -9.818 -1.868 5.937 1.00 2.78 C ATOM 0 H LEU A 87 -9.554 -4.689 4.348 1.00 0.60 H new ATOM 0 HA LEU A 87 -9.990 -4.958 7.270 1.00 0.64 H new ATOM 0 HB2 LEU A 87 -11.596 -3.838 4.951 1.00 0.72 H new ATOM 0 HB3 LEU A 87 -12.332 -4.225 6.493 1.00 0.72 H new ATOM 0 HG LEU A 87 -11.937 -1.884 6.182 1.00 1.02 H new ATOM 0 HD11 LEU A 87 -10.779 -1.391 8.366 1.00 1.29 H new ATOM 0 HD12 LEU A 87 -11.950 -2.726 8.491 1.00 1.29 H new ATOM 0 HD13 LEU A 87 -10.207 -3.076 8.402 1.00 1.29 H new ATOM 0 HD21 LEU A 87 -9.670 -0.868 6.344 1.00 2.78 H new ATOM 0 HD22 LEU A 87 -8.963 -2.494 6.192 1.00 2.78 H new ATOM 0 HD23 LEU A 87 -9.913 -1.809 4.853 1.00 2.78 H new ATOM 1374 N GLY A 88 -11.030 -7.224 7.076 1.00 0.60 N ATOM 1375 CA GLY A 88 -11.499 -8.613 7.015 1.00 0.72 C ATOM 1376 C GLY A 88 -10.415 -9.516 6.435 1.00 0.75 C ATOM 1377 O GLY A 88 -10.350 -9.696 5.218 1.00 1.27 O ATOM 0 H GLY A 88 -10.738 -6.938 8.010 1.00 0.60 H new ATOM 0 HA2 GLY A 88 -11.771 -8.956 8.013 1.00 0.72 H new ATOM 0 HA3 GLY A 88 -12.398 -8.673 6.402 1.00 0.72 H new ATOM 1381 N LEU A 89 -9.544 -10.065 7.287 1.00 0.66 N ATOM 1382 CA LEU A 89 -8.418 -10.889 6.834 1.00 0.62 C ATOM 1383 C LEU A 89 -8.855 -12.333 6.534 1.00 0.65 C ATOM 1384 O LEU A 89 -9.332 -13.050 7.408 1.00 0.81 O ATOM 1385 CB LEU A 89 -7.261 -10.841 7.855 1.00 0.71 C ATOM 1386 CG LEU A 89 -6.705 -9.441 8.198 1.00 0.61 C ATOM 1387 CD1 LEU A 89 -5.429 -9.600 9.038 1.00 0.81 C ATOM 1388 CD2 LEU A 89 -6.388 -8.589 6.956 1.00 0.73 C ATOM 0 H LEU A 89 -9.597 -9.953 8.299 1.00 0.66 H new ATOM 0 HA LEU A 89 -8.052 -10.470 5.896 1.00 0.62 H new ATOM 0 HB2 LEU A 89 -7.601 -11.309 8.779 1.00 0.71 H new ATOM 0 HB3 LEU A 89 -6.442 -11.449 7.472 1.00 0.71 H new ATOM 0 HG LEU A 89 -7.483 -8.916 8.752 1.00 0.61 H new ATOM 0 HD11 LEU A 89 -5.030 -8.616 9.284 1.00 0.81 H new ATOM 0 HD12 LEU A 89 -5.663 -10.137 9.957 1.00 0.81 H new ATOM 0 HD13 LEU A 89 -4.687 -10.160 8.470 1.00 0.81 H new ATOM 0 HD21 LEU A 89 -6.002 -7.619 7.269 1.00 0.73 H new ATOM 0 HD22 LEU A 89 -5.641 -9.098 6.347 1.00 0.73 H new ATOM 0 HD23 LEU A 89 -7.297 -8.446 6.371 1.00 0.73 H new ATOM 1400 N LYS A 90 -8.628 -12.796 5.301 1.00 0.74 N ATOM 1401 CA LYS A 90 -8.842 -14.196 4.898 1.00 0.82 C ATOM 1402 C LYS A 90 -7.755 -15.150 5.436 1.00 0.94 C ATOM 1403 O LYS A 90 -7.948 -16.365 5.419 1.00 1.03 O ATOM 1404 CB LYS A 90 -8.937 -14.307 3.365 1.00 0.99 C ATOM 1405 CG LYS A 90 -10.002 -13.388 2.742 1.00 0.75 C ATOM 1406 CD LYS A 90 -10.272 -13.762 1.276 1.00 1.23 C ATOM 1407 CE LYS A 90 -11.354 -12.896 0.614 1.00 1.37 C ATOM 1408 NZ LYS A 90 -12.737 -13.294 0.972 1.00 1.69 N ATOM 0 H LYS A 90 -8.286 -12.205 4.543 1.00 0.74 H new ATOM 0 HA LYS A 90 -9.786 -14.508 5.345 1.00 0.82 H new ATOM 0 HB2 LYS A 90 -7.966 -14.068 2.932 1.00 0.99 H new ATOM 0 HB3 LYS A 90 -9.160 -15.340 3.098 1.00 0.99 H new ATOM 0 HG2 LYS A 90 -10.927 -13.459 3.314 1.00 0.75 H new ATOM 0 HG3 LYS A 90 -9.670 -12.351 2.800 1.00 0.75 H new ATOM 0 HD2 LYS A 90 -9.346 -13.669 0.709 1.00 1.23 H new ATOM 0 HD3 LYS A 90 -10.573 -14.808 1.225 1.00 1.23 H new ATOM 0 HE2 LYS A 90 -11.199 -11.856 0.900 1.00 1.37 H new ATOM 0 HE3 LYS A 90 -11.238 -12.950 -0.469 1.00 1.37 H new ATOM 0 HZ1 LYS A 90 -13.410 -12.824 0.333 1.00 1.69 H new ATOM 0 HZ2 LYS A 90 -12.836 -14.325 0.882 1.00 1.69 H new ATOM 0 HZ3 LYS A 90 -12.937 -13.012 1.953 1.00 1.69 H new ATOM 1422 N ARG A 91 -6.635 -14.606 5.931 1.00 1.08 N ATOM 1423 CA ARG A 91 -5.639 -15.312 6.748 1.00 1.22 C ATOM 1424 C ARG A 91 -4.820 -14.307 7.586 1.00 1.29 C ATOM 1425 O ARG A 91 -4.532 -13.224 7.078 1.00 1.33 O ATOM 1426 CB ARG A 91 -4.761 -16.246 5.888 1.00 1.34 C ATOM 1427 CG ARG A 91 -3.829 -15.540 4.888 1.00 2.10 C ATOM 1428 CD ARG A 91 -3.252 -16.539 3.869 1.00 2.16 C ATOM 1429 NE ARG A 91 -1.822 -16.309 3.587 1.00 3.48 N ATOM 1430 CZ ARG A 91 -0.807 -16.877 4.229 1.00 4.31 C ATOM 1431 NH1 ARG A 91 -0.962 -17.691 5.249 1.00 4.44 N ATOM 1432 NH2 ARG A 91 0.426 -16.629 3.867 1.00 5.77 N ATOM 0 H ARG A 91 -6.389 -13.630 5.768 1.00 1.08 H new ATOM 0 HA ARG A 91 -6.159 -15.962 7.452 1.00 1.22 H new ATOM 0 HB2 ARG A 91 -4.154 -16.860 6.553 1.00 1.34 H new ATOM 0 HB3 ARG A 91 -5.413 -16.923 5.336 1.00 1.34 H new ATOM 0 HG2 ARG A 91 -4.378 -14.758 4.364 1.00 2.10 H new ATOM 0 HG3 ARG A 91 -3.015 -15.053 5.426 1.00 2.10 H new ATOM 0 HD2 ARG A 91 -3.384 -17.553 4.247 1.00 2.16 H new ATOM 0 HD3 ARG A 91 -3.817 -16.469 2.939 1.00 2.16 H new ATOM 0 HE ARG A 91 -1.593 -15.659 2.835 1.00 3.48 H new ATOM 0 HH11 ARG A 91 -1.899 -17.915 5.585 1.00 4.44 H new ATOM 0 HH12 ARG A 91 -0.146 -18.099 5.705 1.00 4.44 H new ATOM 0 HH21 ARG A 91 0.612 -15.997 3.088 1.00 5.77 H new ATOM 0 HH22 ARG A 91 1.201 -17.068 4.364 1.00 5.77 H new ATOM 1446 N PRO A 92 -4.465 -14.641 8.844 1.00 1.40 N ATOM 1447 CA PRO A 92 -3.760 -13.744 9.755 1.00 1.44 C ATOM 1448 C PRO A 92 -2.304 -13.554 9.327 1.00 1.65 C ATOM 1449 O PRO A 92 -1.648 -14.513 8.913 1.00 1.91 O ATOM 1450 CB PRO A 92 -3.851 -14.410 11.132 1.00 1.59 C ATOM 1451 CG PRO A 92 -3.964 -15.897 10.811 1.00 1.68 C ATOM 1452 CD PRO A 92 -4.768 -15.900 9.514 1.00 1.56 C ATOM 0 HA PRO A 92 -4.202 -12.747 9.761 1.00 1.44 H new ATOM 0 HB2 PRO A 92 -2.970 -14.197 11.738 1.00 1.59 H new ATOM 0 HB3 PRO A 92 -4.716 -14.055 11.692 1.00 1.59 H new ATOM 0 HG2 PRO A 92 -2.985 -16.359 10.682 1.00 1.68 H new ATOM 0 HG3 PRO A 92 -4.473 -16.445 11.604 1.00 1.68 H new ATOM 0 HD2 PRO A 92 -4.494 -16.750 8.888 1.00 1.56 H new ATOM 0 HD3 PRO A 92 -5.835 -15.985 9.718 1.00 1.56 H new ATOM 1460 N LEU A 93 -1.784 -12.329 9.471 1.00 1.77 N ATOM 1461 CA LEU A 93 -0.392 -12.012 9.147 1.00 2.06 C ATOM 1462 C LEU A 93 0.460 -12.336 10.371 1.00 2.42 C ATOM 1463 O LEU A 93 0.811 -11.465 11.167 1.00 2.92 O ATOM 1464 CB LEU A 93 -0.244 -10.553 8.653 1.00 2.02 C ATOM 1465 CG LEU A 93 -0.863 -10.202 7.275 1.00 1.86 C ATOM 1466 CD1 LEU A 93 -1.768 -11.246 6.605 1.00 1.48 C ATOM 1467 CD2 LEU A 93 -1.646 -8.890 7.382 1.00 2.79 C ATOM 0 H LEU A 93 -2.318 -11.531 9.816 1.00 1.77 H new ATOM 0 HA LEU A 93 -0.041 -12.620 8.314 1.00 2.06 H new ATOM 0 HB2 LEU A 93 -0.691 -9.897 9.400 1.00 2.02 H new ATOM 0 HB3 LEU A 93 0.819 -10.316 8.615 1.00 2.02 H new ATOM 0 HG LEU A 93 0.010 -10.140 6.625 1.00 1.86 H new ATOM 0 HD11 LEU A 93 -2.125 -10.859 5.651 1.00 1.48 H new ATOM 0 HD12 LEU A 93 -1.203 -12.163 6.436 1.00 1.48 H new ATOM 0 HD13 LEU A 93 -2.619 -11.458 7.252 1.00 1.48 H new ATOM 0 HD21 LEU A 93 -2.080 -8.645 6.413 1.00 2.79 H new ATOM 0 HD22 LEU A 93 -2.442 -9.000 8.119 1.00 2.79 H new ATOM 0 HD23 LEU A 93 -0.974 -8.089 7.691 1.00 2.79 H new ATOM 1479 N LYS A 94 0.754 -13.624 10.551 1.00 2.46 N ATOM 1480 CA LYS A 94 1.718 -14.102 11.539 1.00 2.81 C ATOM 1481 C LYS A 94 3.151 -13.719 11.158 1.00 2.69 C ATOM 1482 O LYS A 94 3.472 -13.495 9.994 1.00 2.89 O ATOM 1483 CB LYS A 94 1.674 -15.627 11.647 1.00 3.11 C ATOM 1484 CG LYS A 94 0.384 -16.214 12.212 1.00 3.96 C ATOM 1485 CD LYS A 94 0.555 -17.734 12.376 1.00 3.87 C ATOM 1486 CE LYS A 94 0.457 -18.500 11.041 1.00 3.82 C ATOM 1487 NZ LYS A 94 1.737 -18.606 10.293 1.00 3.75 N ATOM 0 H LYS A 94 0.324 -14.372 10.008 1.00 2.46 H new ATOM 0 HA LYS A 94 1.444 -13.637 12.486 1.00 2.81 H new ATOM 0 HB2 LYS A 94 1.839 -16.048 10.655 1.00 3.11 H new ATOM 0 HB3 LYS A 94 2.504 -15.952 12.274 1.00 3.11 H new ATOM 0 HG2 LYS A 94 0.151 -15.756 13.173 1.00 3.96 H new ATOM 0 HG3 LYS A 94 -0.451 -15.999 11.545 1.00 3.96 H new ATOM 0 HD2 LYS A 94 1.522 -17.938 12.835 1.00 3.87 H new ATOM 0 HD3 LYS A 94 -0.207 -18.108 13.060 1.00 3.87 H new ATOM 0 HE2 LYS A 94 0.084 -19.504 11.240 1.00 3.82 H new ATOM 0 HE3 LYS A 94 -0.279 -18.006 10.407 1.00 3.82 H new ATOM 0 HZ1 LYS A 94 1.565 -18.427 9.283 1.00 3.75 H new ATOM 0 HZ2 LYS A 94 2.412 -17.904 10.659 1.00 3.75 H new ATOM 0 HZ3 LYS A 94 2.131 -19.561 10.413 1.00 3.75 H new ATOM 1501 N ALA A 95 4.050 -13.787 12.139 1.00 2.59 N ATOM 1502 CA ALA A 95 5.478 -13.809 11.839 1.00 2.47 C ATOM 1503 C ALA A 95 5.780 -15.083 11.035 1.00 2.44 C ATOM 1504 O ALA A 95 5.270 -16.156 11.369 1.00 2.60 O ATOM 1505 CB ALA A 95 6.279 -13.724 13.143 1.00 2.53 C ATOM 0 H ALA A 95 3.819 -13.827 13.132 1.00 2.59 H new ATOM 0 HA ALA A 95 5.772 -12.950 11.236 1.00 2.47 H new ATOM 0 HB1 ALA A 95 7.345 -13.741 12.917 1.00 2.53 H new ATOM 0 HB2 ALA A 95 6.032 -12.798 13.662 1.00 2.53 H new ATOM 0 HB3 ALA A 95 6.030 -14.573 13.779 1.00 2.53 H new ATOM 1511 N GLY A 96 6.534 -14.934 9.942 1.00 2.44 N ATOM 1512 CA GLY A 96 6.756 -16.018 8.984 1.00 2.51 C ATOM 1513 C GLY A 96 5.513 -16.320 8.146 1.00 2.76 C ATOM 1514 O GLY A 96 5.102 -17.475 8.071 1.00 3.54 O ATOM 0 H GLY A 96 7.005 -14.063 9.698 1.00 2.44 H new ATOM 0 HA2 GLY A 96 7.581 -15.751 8.323 1.00 2.51 H new ATOM 0 HA3 GLY A 96 7.056 -16.918 9.521 1.00 2.51 H new ATOM 1518 N GLU A 97 4.893 -15.294 7.552 1.00 2.41 N ATOM 1519 CA GLU A 97 3.931 -15.427 6.466 1.00 2.60 C ATOM 1520 C GLU A 97 4.356 -14.560 5.288 1.00 2.32 C ATOM 1521 O GLU A 97 5.194 -13.663 5.426 1.00 2.10 O ATOM 1522 CB GLU A 97 2.546 -14.966 6.936 1.00 3.05 C ATOM 1523 CG GLU A 97 1.935 -15.957 7.916 1.00 3.02 C ATOM 1524 CD GLU A 97 1.400 -17.226 7.263 1.00 2.14 C ATOM 1525 OE1 GLU A 97 1.683 -17.507 6.082 1.00 2.09 O ATOM 1526 OE2 GLU A 97 0.641 -17.943 7.946 1.00 2.95 O ATOM 0 H GLU A 97 5.055 -14.325 7.825 1.00 2.41 H new ATOM 0 HA GLU A 97 3.892 -16.473 6.163 1.00 2.60 H new ATOM 0 HB2 GLU A 97 2.628 -13.987 7.409 1.00 3.05 H new ATOM 0 HB3 GLU A 97 1.888 -14.850 6.075 1.00 3.05 H new ATOM 0 HG2 GLU A 97 2.687 -16.231 8.656 1.00 3.02 H new ATOM 0 HG3 GLU A 97 1.123 -15.467 8.453 1.00 3.02 H new ATOM 1533 N GLU A 98 3.702 -14.798 4.154 1.00 2.43 N ATOM 1534 CA GLU A 98 3.826 -14.000 2.938 1.00 2.21 C ATOM 1535 C GLU A 98 2.453 -13.698 2.326 1.00 1.88 C ATOM 1536 O GLU A 98 1.484 -14.447 2.493 1.00 2.10 O ATOM 1537 CB GLU A 98 4.731 -14.685 1.906 1.00 2.41 C ATOM 1538 CG GLU A 98 6.153 -14.916 2.431 1.00 3.27 C ATOM 1539 CD GLU A 98 7.150 -14.870 1.284 1.00 3.47 C ATOM 1540 OE1 GLU A 98 7.420 -13.733 0.833 1.00 4.35 O ATOM 1541 OE2 GLU A 98 7.596 -15.958 0.862 1.00 3.61 O ATOM 0 H GLU A 98 3.051 -15.576 4.053 1.00 2.43 H new ATOM 0 HA GLU A 98 4.289 -13.055 3.221 1.00 2.21 H new ATOM 0 HB2 GLU A 98 4.293 -15.642 1.622 1.00 2.41 H new ATOM 0 HB3 GLU A 98 4.775 -14.074 1.004 1.00 2.41 H new ATOM 0 HG2 GLU A 98 6.403 -14.156 3.171 1.00 3.27 H new ATOM 0 HG3 GLU A 98 6.210 -15.881 2.934 1.00 3.27 H new ATOM 1548 N VAL A 99 2.388 -12.569 1.625 1.00 1.49 N ATOM 1549 CA VAL A 99 1.182 -11.948 1.077 1.00 1.37 C ATOM 1550 C VAL A 99 1.456 -11.544 -0.372 1.00 1.38 C ATOM 1551 O VAL A 99 2.345 -10.737 -0.637 1.00 1.48 O ATOM 1552 CB VAL A 99 0.817 -10.698 1.920 1.00 1.40 C ATOM 1553 CG1 VAL A 99 -0.403 -9.951 1.332 1.00 1.39 C ATOM 1554 CG2 VAL A 99 0.598 -11.083 3.404 1.00 1.49 C ATOM 0 H VAL A 99 3.226 -12.029 1.411 1.00 1.49 H new ATOM 0 HA VAL A 99 0.348 -12.649 1.109 1.00 1.37 H new ATOM 0 HB VAL A 99 1.658 -10.006 1.878 1.00 1.40 H new ATOM 0 HG11 VAL A 99 -0.629 -9.081 1.949 1.00 1.39 H new ATOM 0 HG12 VAL A 99 -0.176 -9.626 0.316 1.00 1.39 H new ATOM 0 HG13 VAL A 99 -1.265 -10.618 1.316 1.00 1.39 H new ATOM 0 HG21 VAL A 99 0.343 -10.192 3.977 1.00 1.49 H new ATOM 0 HG22 VAL A 99 -0.215 -11.806 3.476 1.00 1.49 H new ATOM 0 HG23 VAL A 99 1.511 -11.523 3.804 1.00 1.49 H new ATOM 1564 N GLU A 100 0.673 -12.067 -1.320 1.00 1.31 N ATOM 1565 CA GLU A 100 0.605 -11.477 -2.660 1.00 1.43 C ATOM 1566 C GLU A 100 -0.291 -10.238 -2.642 1.00 1.41 C ATOM 1567 O GLU A 100 -1.296 -10.206 -1.919 1.00 1.42 O ATOM 1568 CB GLU A 100 -0.017 -12.431 -3.680 1.00 1.47 C ATOM 1569 CG GLU A 100 0.797 -13.673 -4.041 1.00 1.62 C ATOM 1570 CD GLU A 100 0.219 -14.209 -5.346 1.00 1.86 C ATOM 1571 OE1 GLU A 100 -1.011 -14.420 -5.427 1.00 2.51 O ATOM 1572 OE2 GLU A 100 0.944 -14.210 -6.362 1.00 2.61 O ATOM 0 H GLU A 100 0.083 -12.889 -1.187 1.00 1.31 H new ATOM 0 HA GLU A 100 1.632 -11.242 -2.941 1.00 1.43 H new ATOM 0 HB2 GLU A 100 -0.984 -12.757 -3.296 1.00 1.47 H new ATOM 0 HB3 GLU A 100 -0.210 -11.872 -4.596 1.00 1.47 H new ATOM 0 HG2 GLU A 100 1.852 -13.424 -4.158 1.00 1.62 H new ATOM 0 HG3 GLU A 100 0.732 -14.422 -3.252 1.00 1.62 H new ATOM 1579 N LEU A 101 0.000 -9.267 -3.513 1.00 1.41 N ATOM 1580 CA LEU A 101 -0.919 -8.174 -3.808 1.00 1.12 C ATOM 1581 C LEU A 101 -0.757 -7.671 -5.251 1.00 1.12 C ATOM 1582 O LEU A 101 0.343 -7.315 -5.675 1.00 1.38 O ATOM 1583 CB LEU A 101 -0.770 -7.103 -2.716 1.00 1.28 C ATOM 1584 CG LEU A 101 -1.832 -6.013 -2.600 1.00 1.49 C ATOM 1585 CD1 LEU A 101 -1.640 -5.247 -1.285 1.00 2.05 C ATOM 1586 CD2 LEU A 101 -1.750 -5.046 -3.789 1.00 1.77 C ATOM 0 H LEU A 101 0.878 -9.220 -4.030 1.00 1.41 H new ATOM 0 HA LEU A 101 -1.954 -8.515 -3.776 1.00 1.12 H new ATOM 0 HB2 LEU A 101 -0.719 -7.617 -1.756 1.00 1.28 H new ATOM 0 HB3 LEU A 101 0.191 -6.611 -2.866 1.00 1.28 H new ATOM 0 HG LEU A 101 -2.817 -6.481 -2.607 1.00 1.49 H new ATOM 0 HD11 LEU A 101 -2.399 -4.469 -1.203 1.00 2.05 H new ATOM 0 HD12 LEU A 101 -1.735 -5.936 -0.446 1.00 2.05 H new ATOM 0 HD13 LEU A 101 -0.650 -4.791 -1.271 1.00 2.05 H new ATOM 0 HD21 LEU A 101 -2.516 -4.277 -3.686 1.00 1.77 H new ATOM 0 HD22 LEU A 101 -0.766 -4.578 -3.810 1.00 1.77 H new ATOM 0 HD23 LEU A 101 -1.910 -5.596 -4.717 1.00 1.77 H new ATOM 1598 N ASP A 102 -1.877 -7.658 -5.978 1.00 0.90 N ATOM 1599 CA ASP A 102 -2.105 -7.217 -7.352 1.00 0.88 C ATOM 1600 C ASP A 102 -2.505 -5.736 -7.370 1.00 0.67 C ATOM 1601 O ASP A 102 -3.614 -5.384 -6.967 1.00 0.67 O ATOM 1602 CB ASP A 102 -3.260 -8.072 -7.901 1.00 1.01 C ATOM 1603 CG ASP A 102 -2.809 -9.423 -8.454 1.00 1.43 C ATOM 1604 OD1 ASP A 102 -2.318 -9.452 -9.602 1.00 2.09 O ATOM 1605 OD2 ASP A 102 -2.934 -10.425 -7.712 1.00 2.44 O ATOM 0 H ASP A 102 -2.747 -7.997 -5.566 1.00 0.90 H new ATOM 0 HA ASP A 102 -1.204 -7.330 -7.954 1.00 0.88 H new ATOM 0 HB2 ASP A 102 -3.988 -8.238 -7.107 1.00 1.01 H new ATOM 0 HB3 ASP A 102 -3.769 -7.517 -8.689 1.00 1.01 H new ATOM 1610 N LEU A 103 -1.620 -4.853 -7.836 1.00 0.64 N ATOM 1611 CA LEU A 103 -1.873 -3.419 -7.957 1.00 0.55 C ATOM 1612 C LEU A 103 -2.722 -3.133 -9.196 1.00 0.49 C ATOM 1613 O LEU A 103 -2.394 -3.583 -10.294 1.00 0.57 O ATOM 1614 CB LEU A 103 -0.545 -2.656 -8.076 1.00 0.73 C ATOM 1615 CG LEU A 103 0.211 -2.431 -6.761 1.00 1.41 C ATOM 1616 CD1 LEU A 103 0.981 -3.675 -6.308 1.00 1.80 C ATOM 1617 CD2 LEU A 103 1.200 -1.280 -6.975 1.00 2.59 C ATOM 0 H LEU A 103 -0.687 -5.123 -8.146 1.00 0.64 H new ATOM 0 HA LEU A 103 -2.407 -3.089 -7.066 1.00 0.55 H new ATOM 0 HB2 LEU A 103 0.106 -3.201 -8.760 1.00 0.73 H new ATOM 0 HB3 LEU A 103 -0.744 -1.685 -8.530 1.00 0.73 H new ATOM 0 HG LEU A 103 -0.516 -2.200 -5.982 1.00 1.41 H new ATOM 0 HD11 LEU A 103 1.498 -3.462 -5.373 1.00 1.80 H new ATOM 0 HD12 LEU A 103 0.284 -4.500 -6.158 1.00 1.80 H new ATOM 0 HD13 LEU A 103 1.709 -3.950 -7.071 1.00 1.80 H new ATOM 0 HD21 LEU A 103 1.752 -1.099 -6.053 1.00 2.59 H new ATOM 0 HD22 LEU A 103 1.898 -1.543 -7.770 1.00 2.59 H new ATOM 0 HD23 LEU A 103 0.654 -0.379 -7.254 1.00 2.59 H new ATOM 1629 N LEU A 104 -3.783 -2.341 -9.028 1.00 0.50 N ATOM 1630 CA LEU A 104 -4.764 -2.057 -10.080 1.00 0.59 C ATOM 1631 C LEU A 104 -4.509 -0.676 -10.703 1.00 0.66 C ATOM 1632 O LEU A 104 -4.530 0.338 -9.992 1.00 0.73 O ATOM 1633 CB LEU A 104 -6.185 -2.154 -9.491 1.00 0.70 C ATOM 1634 CG LEU A 104 -6.540 -3.443 -8.729 1.00 0.74 C ATOM 1635 CD1 LEU A 104 -8.015 -3.396 -8.304 1.00 0.91 C ATOM 1636 CD2 LEU A 104 -6.275 -4.721 -9.536 1.00 0.79 C ATOM 0 H LEU A 104 -3.989 -1.872 -8.146 1.00 0.50 H new ATOM 0 HA LEU A 104 -4.664 -2.794 -10.877 1.00 0.59 H new ATOM 0 HB2 LEU A 104 -6.330 -1.311 -8.816 1.00 0.70 H new ATOM 0 HB3 LEU A 104 -6.898 -2.035 -10.307 1.00 0.70 H new ATOM 0 HG LEU A 104 -5.887 -3.484 -7.857 1.00 0.74 H new ATOM 0 HD11 LEU A 104 -8.267 -4.309 -7.764 1.00 0.91 H new ATOM 0 HD12 LEU A 104 -8.180 -2.534 -7.657 1.00 0.91 H new ATOM 0 HD13 LEU A 104 -8.646 -3.312 -9.189 1.00 0.91 H new ATOM 0 HD21 LEU A 104 -6.547 -5.591 -8.939 1.00 0.79 H new ATOM 0 HD22 LEU A 104 -6.872 -4.706 -10.448 1.00 0.79 H new ATOM 0 HD23 LEU A 104 -5.218 -4.775 -9.795 1.00 0.79 H new ATOM 1648 N PHE A 105 -4.295 -0.616 -12.024 1.00 0.71 N ATOM 1649 CA PHE A 105 -3.894 0.612 -12.717 1.00 0.77 C ATOM 1650 C PHE A 105 -4.938 1.117 -13.729 1.00 0.84 C ATOM 1651 O PHE A 105 -5.468 0.364 -14.550 1.00 1.05 O ATOM 1652 CB PHE A 105 -2.534 0.409 -13.406 1.00 0.78 C ATOM 1653 CG PHE A 105 -1.377 0.126 -12.467 1.00 0.70 C ATOM 1654 CD1 PHE A 105 -1.079 -1.195 -12.090 1.00 2.21 C ATOM 1655 CD2 PHE A 105 -0.590 1.184 -11.970 1.00 1.76 C ATOM 1656 CE1 PHE A 105 -0.005 -1.454 -11.224 1.00 2.19 C ATOM 1657 CE2 PHE A 105 0.467 0.927 -11.079 1.00 1.77 C ATOM 1658 CZ PHE A 105 0.764 -0.395 -10.711 1.00 0.66 C ATOM 0 H PHE A 105 -4.396 -1.421 -12.642 1.00 0.71 H new ATOM 0 HA PHE A 105 -3.812 1.386 -11.954 1.00 0.77 H new ATOM 0 HB2 PHE A 105 -2.621 -0.417 -14.111 1.00 0.78 H new ATOM 0 HB3 PHE A 105 -2.301 1.301 -13.987 1.00 0.78 H new ATOM 0 HD1 PHE A 105 -1.677 -2.012 -12.467 1.00 2.21 H new ATOM 0 HD2 PHE A 105 -0.800 2.198 -12.275 1.00 1.76 H new ATOM 0 HE1 PHE A 105 0.232 -2.472 -10.951 1.00 2.19 H new ATOM 0 HE2 PHE A 105 1.049 1.744 -10.679 1.00 1.77 H new ATOM 0 HZ PHE A 105 1.582 -0.598 -10.035 1.00 0.66 H new ATOM 1668 N ALA A 106 -5.163 2.436 -13.733 1.00 0.81 N ATOM 1669 CA ALA A 106 -6.061 3.127 -14.666 1.00 0.96 C ATOM 1670 C ALA A 106 -5.432 3.287 -16.062 1.00 1.98 C ATOM 1671 O ALA A 106 -5.016 4.381 -16.451 1.00 2.52 O ATOM 1672 CB ALA A 106 -6.486 4.466 -14.054 1.00 1.33 C ATOM 0 H ALA A 106 -4.714 3.069 -13.071 1.00 0.81 H new ATOM 0 HA ALA A 106 -6.952 2.519 -14.820 1.00 0.96 H new ATOM 0 HB1 ALA A 106 -7.153 4.985 -14.742 1.00 1.33 H new ATOM 0 HB2 ALA A 106 -7.004 4.287 -13.112 1.00 1.33 H new ATOM 0 HB3 ALA A 106 -5.604 5.080 -13.873 1.00 1.33 H new ATOM 1678 N GLY A 107 -5.356 2.172 -16.797 1.00 3.17 N ATOM 1679 CA GLY A 107 -4.799 2.106 -18.153 1.00 4.49 C ATOM 1680 C GLY A 107 -4.683 0.693 -18.725 1.00 4.11 C ATOM 1681 O GLY A 107 -3.732 0.422 -19.457 1.00 5.39 O ATOM 0 H GLY A 107 -5.688 1.269 -16.458 1.00 3.17 H new ATOM 0 HA2 GLY A 107 -5.424 2.703 -18.818 1.00 4.49 H new ATOM 0 HA3 GLY A 107 -3.810 2.564 -18.148 1.00 4.49 H new ATOM 1685 N GLY A 108 -5.597 -0.218 -18.363 1.00 2.63 N ATOM 1686 CA GLY A 108 -5.597 -1.611 -18.842 1.00 2.40 C ATOM 1687 C GLY A 108 -4.461 -2.464 -18.268 1.00 2.09 C ATOM 1688 O GLY A 108 -3.981 -3.370 -18.941 1.00 2.36 O ATOM 0 H GLY A 108 -6.364 -0.009 -17.724 1.00 2.63 H new ATOM 0 HA2 GLY A 108 -6.550 -2.073 -18.586 1.00 2.40 H new ATOM 0 HA3 GLY A 108 -5.525 -1.611 -19.930 1.00 2.40 H new ATOM 1692 N LYS A 109 -3.982 -2.142 -17.060 1.00 1.66 N ATOM 1693 CA LYS A 109 -2.886 -2.841 -16.380 1.00 1.47 C ATOM 1694 C LYS A 109 -3.299 -3.321 -14.975 1.00 1.19 C ATOM 1695 O LYS A 109 -3.928 -2.585 -14.221 1.00 1.12 O ATOM 1696 CB LYS A 109 -1.668 -1.895 -16.258 1.00 1.52 C ATOM 1697 CG LYS A 109 -0.510 -2.194 -17.225 1.00 2.03 C ATOM 1698 CD LYS A 109 -0.760 -1.775 -18.680 1.00 2.53 C ATOM 1699 CE LYS A 109 -0.710 -0.250 -18.840 1.00 3.01 C ATOM 1700 NZ LYS A 109 -1.073 0.164 -20.217 1.00 4.11 N ATOM 0 H LYS A 109 -4.357 -1.366 -16.514 1.00 1.66 H new ATOM 0 HA LYS A 109 -2.629 -3.717 -16.975 1.00 1.47 H new ATOM 0 HB2 LYS A 109 -2.004 -0.872 -16.424 1.00 1.52 H new ATOM 0 HB3 LYS A 109 -1.290 -1.944 -15.237 1.00 1.52 H new ATOM 0 HG2 LYS A 109 0.385 -1.687 -16.865 1.00 2.03 H new ATOM 0 HG3 LYS A 109 -0.302 -3.264 -17.201 1.00 2.03 H new ATOM 0 HD2 LYS A 109 -0.012 -2.235 -19.326 1.00 2.53 H new ATOM 0 HD3 LYS A 109 -1.733 -2.145 -19.005 1.00 2.53 H new ATOM 0 HE2 LYS A 109 -1.392 0.214 -18.128 1.00 3.01 H new ATOM 0 HE3 LYS A 109 0.291 0.109 -18.603 1.00 3.01 H new ATOM 0 HZ1 LYS A 109 -0.550 1.026 -20.470 1.00 4.11 H new ATOM 0 HZ2 LYS A 109 -0.830 -0.596 -20.884 1.00 4.11 H new ATOM 0 HZ3 LYS A 109 -2.095 0.353 -20.265 1.00 4.11 H new ATOM 1714 N VAL A 110 -2.839 -4.512 -14.604 1.00 1.15 N ATOM 1715 CA VAL A 110 -2.725 -5.003 -13.231 1.00 0.98 C ATOM 1716 C VAL A 110 -1.382 -5.724 -13.107 1.00 1.05 C ATOM 1717 O VAL A 110 -0.987 -6.417 -14.046 1.00 1.28 O ATOM 1718 CB VAL A 110 -3.924 -5.901 -12.850 1.00 1.01 C ATOM 1719 CG1 VAL A 110 -4.258 -6.965 -13.910 1.00 1.22 C ATOM 1720 CG2 VAL A 110 -3.747 -6.591 -11.488 1.00 0.95 C ATOM 0 H VAL A 110 -2.518 -5.198 -15.287 1.00 1.15 H new ATOM 0 HA VAL A 110 -2.753 -4.174 -12.524 1.00 0.98 H new ATOM 0 HB VAL A 110 -4.761 -5.206 -12.789 1.00 1.01 H new ATOM 0 HG11 VAL A 110 -5.109 -7.558 -13.575 1.00 1.22 H new ATOM 0 HG12 VAL A 110 -4.505 -6.475 -14.852 1.00 1.22 H new ATOM 0 HG13 VAL A 110 -3.397 -7.617 -14.055 1.00 1.22 H new ATOM 0 HG21 VAL A 110 -4.621 -7.207 -11.276 1.00 0.95 H new ATOM 0 HG22 VAL A 110 -2.857 -7.219 -11.511 1.00 0.95 H new ATOM 0 HG23 VAL A 110 -3.638 -5.836 -10.709 1.00 0.95 H new ATOM 1730 N LEU A 111 -0.659 -5.493 -12.007 1.00 0.92 N ATOM 1731 CA LEU A 111 0.699 -6.011 -11.779 1.00 1.04 C ATOM 1732 C LEU A 111 0.890 -6.348 -10.296 1.00 1.23 C ATOM 1733 O LEU A 111 0.707 -5.481 -9.444 1.00 1.29 O ATOM 1734 CB LEU A 111 1.752 -4.955 -12.190 1.00 1.01 C ATOM 1735 CG LEU A 111 1.777 -4.524 -13.670 1.00 1.12 C ATOM 1736 CD1 LEU A 111 2.686 -3.297 -13.835 1.00 1.53 C ATOM 1737 CD2 LEU A 111 2.275 -5.652 -14.586 1.00 1.75 C ATOM 0 H LEU A 111 -1.007 -4.929 -11.232 1.00 0.92 H new ATOM 0 HA LEU A 111 0.829 -6.910 -12.382 1.00 1.04 H new ATOM 0 HB2 LEU A 111 1.593 -4.065 -11.582 1.00 1.01 H new ATOM 0 HB3 LEU A 111 2.738 -5.344 -11.935 1.00 1.01 H new ATOM 0 HG LEU A 111 0.755 -4.280 -13.961 1.00 1.12 H new ATOM 0 HD11 LEU A 111 2.702 -2.994 -14.882 1.00 1.53 H new ATOM 0 HD12 LEU A 111 2.305 -2.477 -13.226 1.00 1.53 H new ATOM 0 HD13 LEU A 111 3.697 -3.548 -13.514 1.00 1.53 H new ATOM 0 HD21 LEU A 111 2.277 -5.307 -15.620 1.00 1.75 H new ATOM 0 HD22 LEU A 111 3.287 -5.936 -14.296 1.00 1.75 H new ATOM 0 HD23 LEU A 111 1.615 -6.514 -14.493 1.00 1.75 H new ATOM 1749 N LYS A 112 1.283 -7.581 -9.965 1.00 1.58 N ATOM 1750 CA LYS A 112 1.476 -7.975 -8.566 1.00 1.90 C ATOM 1751 C LYS A 112 2.894 -7.784 -8.015 1.00 2.02 C ATOM 1752 O LYS A 112 3.888 -7.953 -8.718 1.00 2.27 O ATOM 1753 CB LYS A 112 0.940 -9.386 -8.290 1.00 2.30 C ATOM 1754 CG LYS A 112 1.418 -10.508 -9.230 1.00 2.06 C ATOM 1755 CD LYS A 112 0.961 -11.892 -8.738 1.00 2.16 C ATOM 1756 CE LYS A 112 -0.548 -11.934 -8.461 1.00 2.14 C ATOM 1757 NZ LYS A 112 -1.028 -13.258 -8.012 1.00 2.27 N ATOM 0 H LYS A 112 1.473 -8.320 -10.642 1.00 1.58 H new ATOM 0 HA LYS A 112 0.874 -7.261 -8.003 1.00 1.90 H new ATOM 0 HB2 LYS A 112 1.212 -9.659 -7.270 1.00 2.30 H new ATOM 0 HB3 LYS A 112 -0.149 -9.350 -8.331 1.00 2.30 H new ATOM 0 HG2 LYS A 112 1.031 -10.332 -10.234 1.00 2.06 H new ATOM 0 HG3 LYS A 112 2.506 -10.487 -9.299 1.00 2.06 H new ATOM 0 HD2 LYS A 112 1.213 -12.644 -9.485 1.00 2.16 H new ATOM 0 HD3 LYS A 112 1.504 -12.151 -7.829 1.00 2.16 H new ATOM 0 HE2 LYS A 112 -0.791 -11.191 -7.701 1.00 2.14 H new ATOM 0 HE3 LYS A 112 -1.084 -11.650 -9.367 1.00 2.14 H new ATOM 0 HZ1 LYS A 112 -1.535 -13.726 -8.790 1.00 2.27 H new ATOM 0 HZ2 LYS A 112 -0.217 -13.843 -7.727 1.00 2.27 H new ATOM 0 HZ3 LYS A 112 -1.670 -13.138 -7.203 1.00 2.27 H new ATOM 1771 N VAL A 113 2.945 -7.513 -6.712 1.00 1.92 N ATOM 1772 CA VAL A 113 4.146 -7.535 -5.867 1.00 2.03 C ATOM 1773 C VAL A 113 4.010 -8.635 -4.808 1.00 1.88 C ATOM 1774 O VAL A 113 2.899 -8.931 -4.365 1.00 1.92 O ATOM 1775 CB VAL A 113 4.396 -6.165 -5.195 1.00 2.12 C ATOM 1776 CG1 VAL A 113 4.676 -5.082 -6.251 1.00 2.30 C ATOM 1777 CG2 VAL A 113 3.227 -5.710 -4.304 1.00 2.11 C ATOM 0 H VAL A 113 2.109 -7.259 -6.187 1.00 1.92 H new ATOM 0 HA VAL A 113 5.006 -7.747 -6.502 1.00 2.03 H new ATOM 0 HB VAL A 113 5.268 -6.299 -4.556 1.00 2.12 H new ATOM 0 HG11 VAL A 113 4.849 -4.127 -5.755 1.00 2.30 H new ATOM 0 HG12 VAL A 113 5.559 -5.356 -6.828 1.00 2.30 H new ATOM 0 HG13 VAL A 113 3.819 -4.995 -6.919 1.00 2.30 H new ATOM 0 HG21 VAL A 113 3.463 -4.742 -3.861 1.00 2.11 H new ATOM 0 HG22 VAL A 113 2.323 -5.623 -4.906 1.00 2.11 H new ATOM 0 HG23 VAL A 113 3.066 -6.442 -3.513 1.00 2.11 H new ATOM 1787 N VAL A 114 5.133 -9.235 -4.405 1.00 1.74 N ATOM 1788 CA VAL A 114 5.218 -10.244 -3.345 1.00 1.54 C ATOM 1789 C VAL A 114 5.813 -9.623 -2.081 1.00 1.60 C ATOM 1790 O VAL A 114 6.791 -8.880 -2.155 1.00 1.93 O ATOM 1791 CB VAL A 114 5.989 -11.502 -3.765 1.00 1.71 C ATOM 1792 CG1 VAL A 114 5.105 -12.434 -4.611 1.00 1.72 C ATOM 1793 CG2 VAL A 114 7.249 -11.137 -4.533 1.00 2.96 C ATOM 0 H VAL A 114 6.040 -9.025 -4.822 1.00 1.74 H new ATOM 0 HA VAL A 114 4.202 -10.579 -3.138 1.00 1.54 H new ATOM 0 HB VAL A 114 6.278 -12.030 -2.856 1.00 1.71 H new ATOM 0 HG11 VAL A 114 5.676 -13.318 -4.895 1.00 1.72 H new ATOM 0 HG12 VAL A 114 4.234 -12.736 -4.029 1.00 1.72 H new ATOM 0 HG13 VAL A 114 4.778 -11.909 -5.509 1.00 1.72 H new ATOM 0 HG21 VAL A 114 7.777 -12.047 -4.819 1.00 2.96 H new ATOM 0 HG22 VAL A 114 6.980 -10.577 -5.428 1.00 2.96 H new ATOM 0 HG23 VAL A 114 7.895 -10.525 -3.903 1.00 2.96 H new ATOM 1803 N LEU A 115 5.172 -9.891 -0.941 1.00 1.38 N ATOM 1804 CA LEU A 115 5.383 -9.167 0.315 1.00 1.53 C ATOM 1805 C LEU A 115 5.474 -10.147 1.514 1.00 1.50 C ATOM 1806 O LEU A 115 4.458 -10.757 1.864 1.00 1.67 O ATOM 1807 CB LEU A 115 4.213 -8.174 0.523 1.00 1.55 C ATOM 1808 CG LEU A 115 3.804 -7.261 -0.659 1.00 1.58 C ATOM 1809 CD1 LEU A 115 2.490 -6.536 -0.324 1.00 2.07 C ATOM 1810 CD2 LEU A 115 4.877 -6.215 -0.971 1.00 1.80 C ATOM 0 H LEU A 115 4.477 -10.633 -0.864 1.00 1.38 H new ATOM 0 HA LEU A 115 6.326 -8.623 0.259 1.00 1.53 H new ATOM 0 HB2 LEU A 115 3.336 -8.751 0.816 1.00 1.55 H new ATOM 0 HB3 LEU A 115 4.468 -7.532 1.366 1.00 1.55 H new ATOM 0 HG LEU A 115 3.679 -7.898 -1.535 1.00 1.58 H new ATOM 0 HD11 LEU A 115 2.206 -5.895 -1.158 1.00 2.07 H new ATOM 0 HD12 LEU A 115 1.704 -7.270 -0.147 1.00 2.07 H new ATOM 0 HD13 LEU A 115 2.627 -5.928 0.570 1.00 2.07 H new ATOM 0 HD21 LEU A 115 4.550 -5.596 -1.806 1.00 1.80 H new ATOM 0 HD22 LEU A 115 5.038 -5.587 -0.095 1.00 1.80 H new ATOM 0 HD23 LEU A 115 5.808 -6.716 -1.234 1.00 1.80 H new ATOM 1822 N PRO A 116 6.632 -10.276 2.190 1.00 1.34 N ATOM 1823 CA PRO A 116 6.750 -11.028 3.435 1.00 1.36 C ATOM 1824 C PRO A 116 6.174 -10.247 4.623 1.00 1.49 C ATOM 1825 O PRO A 116 6.075 -9.015 4.591 1.00 1.50 O ATOM 1826 CB PRO A 116 8.248 -11.294 3.605 1.00 1.20 C ATOM 1827 CG PRO A 116 8.876 -10.061 2.959 1.00 1.14 C ATOM 1828 CD PRO A 116 7.942 -9.792 1.782 1.00 1.18 C ATOM 0 HA PRO A 116 6.180 -11.956 3.400 1.00 1.36 H new ATOM 0 HB2 PRO A 116 8.527 -11.389 4.654 1.00 1.20 H new ATOM 0 HB3 PRO A 116 8.556 -12.214 3.108 1.00 1.20 H new ATOM 0 HG2 PRO A 116 8.914 -9.217 3.648 1.00 1.14 H new ATOM 0 HG3 PRO A 116 9.898 -10.251 2.631 1.00 1.14 H new ATOM 0 HD2 PRO A 116 7.909 -8.728 1.546 1.00 1.18 H new ATOM 0 HD3 PRO A 116 8.286 -10.307 0.885 1.00 1.18 H new ATOM 1836 N VAL A 117 5.817 -10.979 5.682 1.00 1.64 N ATOM 1837 CA VAL A 117 5.308 -10.449 6.943 1.00 1.73 C ATOM 1838 C VAL A 117 6.405 -10.414 8.012 1.00 1.70 C ATOM 1839 O VAL A 117 7.047 -11.422 8.310 1.00 1.77 O ATOM 1840 CB VAL A 117 4.112 -11.284 7.443 1.00 1.86 C ATOM 1841 CG1 VAL A 117 3.612 -10.704 8.764 1.00 2.01 C ATOM 1842 CG2 VAL A 117 2.942 -11.267 6.442 1.00 1.95 C ATOM 0 H VAL A 117 5.878 -11.997 5.681 1.00 1.64 H new ATOM 0 HA VAL A 117 4.973 -9.428 6.760 1.00 1.73 H new ATOM 0 HB VAL A 117 4.455 -12.311 7.563 1.00 1.86 H new ATOM 0 HG11 VAL A 117 2.766 -11.291 9.122 1.00 2.01 H new ATOM 0 HG12 VAL A 117 4.414 -10.735 9.502 1.00 2.01 H new ATOM 0 HG13 VAL A 117 3.299 -9.671 8.612 1.00 2.01 H new ATOM 0 HG21 VAL A 117 2.120 -11.867 6.833 1.00 1.95 H new ATOM 0 HG22 VAL A 117 2.604 -10.241 6.295 1.00 1.95 H new ATOM 0 HG23 VAL A 117 3.272 -11.681 5.489 1.00 1.95 H new ATOM 1852 N GLU A 118 6.543 -9.251 8.653 1.00 1.72 N ATOM 1853 CA GLU A 118 7.443 -8.981 9.779 1.00 1.77 C ATOM 1854 C GLU A 118 6.735 -8.032 10.769 1.00 1.87 C ATOM 1855 O GLU A 118 5.749 -7.383 10.418 1.00 2.02 O ATOM 1856 CB GLU A 118 8.766 -8.416 9.213 1.00 1.90 C ATOM 1857 CG GLU A 118 9.830 -8.051 10.262 1.00 2.79 C ATOM 1858 CD GLU A 118 11.107 -7.504 9.620 1.00 2.76 C ATOM 1859 OE1 GLU A 118 11.917 -8.322 9.145 1.00 3.36 O ATOM 1860 OE2 GLU A 118 11.284 -6.263 9.643 1.00 3.49 O ATOM 0 H GLU A 118 6.002 -8.428 8.387 1.00 1.72 H new ATOM 0 HA GLU A 118 7.689 -9.884 10.338 1.00 1.77 H new ATOM 0 HB2 GLU A 118 9.192 -9.150 8.529 1.00 1.90 H new ATOM 0 HB3 GLU A 118 8.539 -7.526 8.625 1.00 1.90 H new ATOM 0 HG2 GLU A 118 9.423 -7.308 10.948 1.00 2.79 H new ATOM 0 HG3 GLU A 118 10.072 -8.933 10.855 1.00 2.79 H new ATOM 1867 N ALA A 119 7.210 -7.923 12.015 1.00 1.98 N ATOM 1868 CA ALA A 119 6.707 -6.986 13.033 1.00 2.22 C ATOM 1869 C ALA A 119 7.131 -5.523 12.759 1.00 2.14 C ATOM 1870 O ALA A 119 7.694 -4.849 13.624 1.00 2.77 O ATOM 1871 CB ALA A 119 7.140 -7.509 14.412 1.00 2.74 C ATOM 0 H ALA A 119 7.978 -8.501 12.356 1.00 1.98 H new ATOM 0 HA ALA A 119 5.618 -6.948 12.998 1.00 2.22 H new ATOM 0 HB1 ALA A 119 6.780 -6.833 15.187 1.00 2.74 H new ATOM 0 HB2 ALA A 119 6.720 -8.502 14.573 1.00 2.74 H new ATOM 0 HB3 ALA A 119 8.228 -7.564 14.455 1.00 2.74 H new ATOM 1877 N ARG A 120 6.862 -5.072 11.532 1.00 1.82 N ATOM 1878 CA ARG A 120 7.527 -3.950 10.866 1.00 2.20 C ATOM 1879 C ARG A 120 7.175 -2.551 11.345 1.00 2.75 C ATOM 1880 O ARG A 120 8.090 -1.708 11.177 1.00 4.06 O ATOM 1881 CB ARG A 120 7.357 -4.086 9.335 1.00 2.34 C ATOM 1882 CG ARG A 120 8.603 -4.732 8.700 1.00 3.02 C ATOM 1883 CD ARG A 120 9.729 -3.741 8.359 1.00 3.25 C ATOM 1884 NE ARG A 120 10.010 -2.835 9.481 1.00 3.10 N ATOM 1885 CZ ARG A 120 10.990 -2.901 10.351 1.00 3.68 C ATOM 1886 NH1 ARG A 120 11.986 -3.733 10.266 1.00 4.27 N ATOM 1887 NH2 ARG A 120 10.905 -2.113 11.381 1.00 4.54 N ATOM 1888 OXT ARG A 120 6.026 -2.328 11.785 1.00 2.77 O ATOM 0 H ARG A 120 6.142 -5.498 10.949 1.00 1.82 H new ATOM 0 HA ARG A 120 8.574 -4.037 11.156 1.00 2.20 H new ATOM 0 HB2 ARG A 120 6.477 -4.690 9.115 1.00 2.34 H new ATOM 0 HB3 ARG A 120 7.187 -3.103 8.895 1.00 2.34 H new ATOM 0 HG2 ARG A 120 8.994 -5.486 9.383 1.00 3.02 H new ATOM 0 HG3 ARG A 120 8.304 -5.251 7.789 1.00 3.02 H new ATOM 0 HD2 ARG A 120 10.633 -4.292 8.100 1.00 3.25 H new ATOM 0 HD3 ARG A 120 9.448 -3.158 7.482 1.00 3.25 H new ATOM 0 HE ARG A 120 9.361 -2.057 9.598 1.00 3.10 H new ATOM 0 HH11 ARG A 120 12.038 -4.388 9.486 1.00 4.27 H new ATOM 0 HH12 ARG A 120 12.715 -3.730 10.979 1.00 4.27 H new ATOM 0 HH21 ARG A 120 10.106 -1.487 11.480 1.00 4.54 H new ATOM 0 HH22 ARG A 120 11.638 -2.120 12.091 1.00 4.54 H new