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 46 HIS : +bothHN:sc= -0.85 K(o=1.2,f=-0.12) USER MOD Set 1.2: A 48 THR OG1 : rot 97:sc= 1.21 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.884 K(o=1.2,f=-2.7!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.263 USER MOD Single : A 15 ASN : amide:sc= -0.0177 K(o=-0.018,f=-3.2!) USER MOD Single : A 19 TYR OH : rot 151:sc= 0 USER MOD Single : A 21 THR OG1 : rot -65:sc= 1.25 USER MOD Single : A 24 ASN : amide:sc= -0.0787 K(o=-0.079,f=-5.6!) USER MOD Single : A 37 THR OG1 : rot 78:sc= 0.192 USER MOD Single : A 50 MET CE :methyl 173:sc=-0.00584 (180deg=-0.11) USER MOD Single : A 56 LYS NZ :NH3+ -152:sc= 1.09 (180deg=-1.54!) USER MOD Single : A 57 LYS NZ :NH3+ 156:sc= -0.12 (180deg=-1.59!) USER MOD Single : A 59 MET CE :methyl -175:sc= 0 (180deg=-0.0314) USER MOD Single : A 61 MET CE :methyl -166:sc= -0.0605 (180deg=-0.325) USER MOD Single : A 72 LYS NZ :NH3+ -115:sc= 0.354 (180deg=-0.365!) USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.14) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc=-0.00566 (180deg=-0.00566) USER MOD Single : A 90 LYS NZ :NH3+ -118:sc= -0.824 (180deg=-1.46!) USER MOD Single : A 94 LYS NZ :NH3+ 154:sc= -0.309 (180deg=-1.97!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 155:sc= -0.424 (180deg=-2.86!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 4.652 -2.535 11.115 1.00 1.42 N ATOM 56 CA GLU A 5 4.057 -3.272 10.016 1.00 1.63 C ATOM 57 C GLU A 5 2.679 -2.606 9.829 1.00 1.18 C ATOM 58 O GLU A 5 2.215 -1.873 10.714 1.00 1.90 O ATOM 59 CB GLU A 5 3.993 -4.771 10.367 1.00 3.06 C ATOM 60 CG GLU A 5 3.403 -5.652 9.257 1.00 4.53 C ATOM 61 CD GLU A 5 3.536 -7.148 9.562 1.00 6.00 C ATOM 62 OE1 GLU A 5 3.369 -7.537 10.740 1.00 6.25 O ATOM 63 OE2 GLU A 5 3.767 -7.903 8.587 1.00 7.36 O ATOM 0 HA GLU A 5 4.623 -3.237 9.085 1.00 1.63 H new ATOM 0 HB2 GLU A 5 4.999 -5.122 10.598 1.00 3.06 H new ATOM 0 HB3 GLU A 5 3.396 -4.896 11.271 1.00 3.06 H new ATOM 0 HG2 GLU A 5 2.350 -5.404 9.122 1.00 4.53 H new ATOM 0 HG3 GLU A 5 3.906 -5.430 8.316 1.00 4.53 H new ATOM 70 N GLY A 6 2.048 -2.809 8.673 1.00 1.15 N ATOM 71 CA GLY A 6 0.865 -2.065 8.239 1.00 0.79 C ATOM 72 C GLY A 6 -0.470 -2.699 8.593 1.00 0.73 C ATOM 73 O GLY A 6 -0.541 -3.751 9.219 1.00 0.98 O ATOM 0 H GLY A 6 2.351 -3.510 7.997 1.00 1.15 H new ATOM 0 HA2 GLY A 6 0.902 -1.068 8.678 1.00 0.79 H new ATOM 0 HA3 GLY A 6 0.913 -1.939 7.157 1.00 0.79 H new ATOM 77 N TRP A 7 -1.538 -2.060 8.110 1.00 0.61 N ATOM 78 CA TRP A 7 -2.928 -2.502 8.227 1.00 0.60 C ATOM 79 C TRP A 7 -3.732 -2.197 6.941 1.00 0.55 C ATOM 80 O TRP A 7 -3.193 -1.663 5.966 1.00 0.59 O ATOM 81 CB TRP A 7 -3.539 -1.860 9.481 1.00 0.83 C ATOM 82 CG TRP A 7 -3.841 -0.399 9.387 1.00 0.83 C ATOM 83 CD1 TRP A 7 -5.051 0.118 9.088 1.00 0.93 C ATOM 84 CD2 TRP A 7 -2.972 0.746 9.659 1.00 1.05 C ATOM 85 NE1 TRP A 7 -5.010 1.491 9.201 1.00 1.21 N ATOM 86 CE2 TRP A 7 -3.753 1.936 9.549 1.00 1.33 C ATOM 87 CE3 TRP A 7 -1.618 0.899 10.026 1.00 1.19 C ATOM 88 CZ2 TRP A 7 -3.221 3.210 9.803 1.00 1.73 C ATOM 89 CZ3 TRP A 7 -1.071 2.174 10.275 1.00 1.56 C ATOM 90 CH2 TRP A 7 -1.869 3.326 10.166 1.00 1.83 C ATOM 0 H TRP A 7 -1.452 -1.179 7.603 1.00 0.61 H new ATOM 0 HA TRP A 7 -2.966 -3.586 8.339 1.00 0.60 H new ATOM 0 HB2 TRP A 7 -4.462 -2.387 9.722 1.00 0.83 H new ATOM 0 HB3 TRP A 7 -2.855 -2.017 10.315 1.00 0.83 H new ATOM 0 HD1 TRP A 7 -5.920 -0.457 8.803 1.00 0.93 H new ATOM 0 HE1 TRP A 7 -5.811 2.103 9.046 1.00 1.21 H new ATOM 0 HE3 TRP A 7 -0.991 0.025 10.118 1.00 1.19 H new ATOM 0 HZ2 TRP A 7 -3.843 4.089 9.720 1.00 1.73 H new ATOM 0 HZ3 TRP A 7 -0.031 2.266 10.552 1.00 1.56 H new ATOM 0 HH2 TRP A 7 -1.443 4.299 10.361 1.00 1.83 H new ATOM 101 N VAL A 8 -5.026 -2.536 6.916 1.00 0.86 N ATOM 102 CA VAL A 8 -5.937 -2.204 5.802 1.00 1.04 C ATOM 103 C VAL A 8 -7.249 -1.641 6.355 1.00 1.06 C ATOM 104 O VAL A 8 -7.708 -2.076 7.410 1.00 0.99 O ATOM 105 CB VAL A 8 -6.200 -3.419 4.876 1.00 1.06 C ATOM 106 CG1 VAL A 8 -6.751 -2.941 3.524 1.00 1.49 C ATOM 107 CG2 VAL A 8 -4.930 -4.239 4.586 1.00 1.10 C ATOM 0 H VAL A 8 -5.479 -3.052 7.671 1.00 0.86 H new ATOM 0 HA VAL A 8 -5.452 -1.445 5.188 1.00 1.04 H new ATOM 0 HB VAL A 8 -6.914 -4.050 5.405 1.00 1.06 H new ATOM 0 HG11 VAL A 8 -6.933 -3.802 2.880 1.00 1.49 H new ATOM 0 HG12 VAL A 8 -7.685 -2.402 3.682 1.00 1.49 H new ATOM 0 HG13 VAL A 8 -6.026 -2.279 3.049 1.00 1.49 H new ATOM 0 HG21 VAL A 8 -5.178 -5.076 3.933 1.00 1.10 H new ATOM 0 HG22 VAL A 8 -4.191 -3.604 4.097 1.00 1.10 H new ATOM 0 HG23 VAL A 8 -4.520 -4.619 5.522 1.00 1.10 H new ATOM 117 N ARG A 9 -7.838 -0.650 5.673 1.00 1.28 N ATOM 118 CA ARG A 9 -9.055 0.030 6.147 1.00 1.46 C ATOM 119 C ARG A 9 -10.337 -0.704 5.708 1.00 1.23 C ATOM 120 O ARG A 9 -10.552 -0.917 4.515 1.00 1.67 O ATOM 121 CB ARG A 9 -9.054 1.514 5.736 1.00 2.02 C ATOM 122 CG ARG A 9 -8.934 1.793 4.220 1.00 1.29 C ATOM 123 CD ARG A 9 -9.365 3.213 3.802 1.00 1.73 C ATOM 124 NE ARG A 9 -10.694 3.638 4.309 1.00 1.93 N ATOM 125 CZ ARG A 9 -11.853 2.979 4.270 1.00 3.00 C ATOM 126 NH1 ARG A 9 -11.988 1.805 3.695 1.00 3.93 N ATOM 127 NH2 ARG A 9 -12.923 3.482 4.849 1.00 3.96 N ATOM 0 H ARG A 9 -7.488 -0.297 4.782 1.00 1.28 H new ATOM 0 HA ARG A 9 -9.049 -0.002 7.237 1.00 1.46 H new ATOM 0 HB2 ARG A 9 -9.974 1.972 6.099 1.00 2.02 H new ATOM 0 HB3 ARG A 9 -8.228 2.012 6.244 1.00 2.02 H new ATOM 0 HG2 ARG A 9 -7.900 1.634 3.914 1.00 1.29 H new ATOM 0 HG3 ARG A 9 -9.541 1.067 3.679 1.00 1.29 H new ATOM 0 HD2 ARG A 9 -8.615 3.922 4.152 1.00 1.73 H new ATOM 0 HD3 ARG A 9 -9.373 3.269 2.713 1.00 1.73 H new ATOM 0 HE ARG A 9 -10.725 4.559 4.747 1.00 1.93 H new ATOM 0 HH11 ARG A 9 -11.185 1.358 3.252 1.00 3.93 H new ATOM 0 HH12 ARG A 9 -12.896 1.340 3.691 1.00 3.93 H new ATOM 0 HH21 ARG A 9 -12.868 4.380 5.330 1.00 3.96 H new ATOM 0 HH22 ARG A 9 -13.807 2.974 4.816 1.00 3.96 H new ATOM 141 N PHE A 10 -11.219 -1.024 6.662 1.00 1.47 N ATOM 142 CA PHE A 10 -12.511 -1.704 6.466 1.00 1.30 C ATOM 143 C PHE A 10 -13.384 -1.059 5.372 1.00 1.36 C ATOM 144 O PHE A 10 -13.554 0.163 5.344 1.00 1.80 O ATOM 145 CB PHE A 10 -13.273 -1.701 7.810 1.00 1.43 C ATOM 146 CG PHE A 10 -14.764 -1.978 7.699 1.00 1.42 C ATOM 147 CD1 PHE A 10 -15.249 -3.294 7.764 1.00 1.92 C ATOM 148 CD2 PHE A 10 -15.659 -0.922 7.444 1.00 1.95 C ATOM 149 CE1 PHE A 10 -16.611 -3.562 7.538 1.00 2.12 C ATOM 150 CE2 PHE A 10 -17.015 -1.187 7.187 1.00 1.97 C ATOM 151 CZ PHE A 10 -17.495 -2.507 7.240 1.00 1.71 C ATOM 0 H PHE A 10 -11.045 -0.806 7.643 1.00 1.47 H new ATOM 0 HA PHE A 10 -12.301 -2.719 6.129 1.00 1.30 H new ATOM 0 HB2 PHE A 10 -12.827 -2.448 8.466 1.00 1.43 H new ATOM 0 HB3 PHE A 10 -13.133 -0.732 8.289 1.00 1.43 H new ATOM 0 HD1 PHE A 10 -14.572 -4.105 7.989 1.00 1.92 H new ATOM 0 HD2 PHE A 10 -15.302 0.097 7.446 1.00 1.95 H new ATOM 0 HE1 PHE A 10 -16.979 -4.576 7.593 1.00 2.12 H new ATOM 0 HE2 PHE A 10 -17.688 -0.377 6.949 1.00 1.97 H new ATOM 0 HZ PHE A 10 -18.539 -2.712 7.053 1.00 1.71 H new ATOM 161 N SER A 11 -14.043 -1.881 4.552 1.00 1.12 N ATOM 162 CA SER A 11 -15.155 -1.479 3.693 1.00 1.27 C ATOM 163 C SER A 11 -16.025 -2.701 3.323 1.00 1.28 C ATOM 164 O SER A 11 -15.479 -3.794 3.149 1.00 1.37 O ATOM 165 CB SER A 11 -14.608 -0.874 2.393 1.00 1.50 C ATOM 166 OG SER A 11 -14.422 0.531 2.475 1.00 2.32 O ATOM 0 H SER A 11 -13.810 -2.870 4.466 1.00 1.12 H new ATOM 0 HA SER A 11 -15.757 -0.749 4.235 1.00 1.27 H new ATOM 0 HB2 SER A 11 -13.657 -1.348 2.149 1.00 1.50 H new ATOM 0 HB3 SER A 11 -15.295 -1.098 1.577 1.00 1.50 H new ATOM 0 HG SER A 11 -14.071 0.865 1.623 1.00 2.32 H new ATOM 172 N PRO A 12 -17.344 -2.528 3.111 1.00 1.40 N ATOM 173 CA PRO A 12 -18.224 -3.531 2.506 1.00 1.54 C ATOM 174 C PRO A 12 -18.166 -3.452 0.966 1.00 1.41 C ATOM 175 O PRO A 12 -19.187 -3.439 0.281 1.00 1.89 O ATOM 176 CB PRO A 12 -19.600 -3.180 3.066 1.00 1.86 C ATOM 177 CG PRO A 12 -19.564 -1.651 3.059 1.00 1.84 C ATOM 178 CD PRO A 12 -18.122 -1.344 3.461 1.00 1.62 C ATOM 0 HA PRO A 12 -17.944 -4.559 2.738 1.00 1.54 H new ATOM 0 HB2 PRO A 12 -20.406 -3.572 2.445 1.00 1.86 H new ATOM 0 HB3 PRO A 12 -19.747 -3.580 4.069 1.00 1.86 H new ATOM 0 HG2 PRO A 12 -19.805 -1.245 2.076 1.00 1.84 H new ATOM 0 HG3 PRO A 12 -20.279 -1.226 3.763 1.00 1.84 H new ATOM 0 HD2 PRO A 12 -17.750 -0.464 2.936 1.00 1.62 H new ATOM 0 HD3 PRO A 12 -18.051 -1.133 4.528 1.00 1.62 H new ATOM 186 N GLY A 13 -16.955 -3.295 0.430 1.00 1.26 N ATOM 187 CA GLY A 13 -16.704 -2.885 -0.957 1.00 1.30 C ATOM 188 C GLY A 13 -16.195 -4.010 -1.872 1.00 1.06 C ATOM 189 O GLY A 13 -15.602 -4.968 -1.381 1.00 1.32 O ATOM 0 H GLY A 13 -16.098 -3.453 0.960 1.00 1.26 H new ATOM 0 HA2 GLY A 13 -17.626 -2.482 -1.376 1.00 1.30 H new ATOM 0 HA3 GLY A 13 -15.974 -2.076 -0.957 1.00 1.30 H new ATOM 193 N PRO A 14 -16.349 -3.876 -3.206 1.00 0.97 N ATOM 194 CA PRO A 14 -15.659 -4.713 -4.198 1.00 1.03 C ATOM 195 C PRO A 14 -14.164 -4.366 -4.327 1.00 0.93 C ATOM 196 O PRO A 14 -13.395 -5.105 -4.941 1.00 1.09 O ATOM 197 CB PRO A 14 -16.376 -4.417 -5.515 1.00 1.19 C ATOM 198 CG PRO A 14 -16.847 -2.971 -5.363 1.00 1.16 C ATOM 199 CD PRO A 14 -17.161 -2.863 -3.872 1.00 1.09 C ATOM 0 HA PRO A 14 -15.693 -5.764 -3.910 1.00 1.03 H new ATOM 0 HB2 PRO A 14 -15.707 -4.531 -6.368 1.00 1.19 H new ATOM 0 HB3 PRO A 14 -17.214 -5.095 -5.674 1.00 1.19 H new ATOM 0 HG2 PRO A 14 -16.076 -2.262 -5.665 1.00 1.16 H new ATOM 0 HG3 PRO A 14 -17.725 -2.767 -5.976 1.00 1.16 H new ATOM 0 HD2 PRO A 14 -16.925 -1.867 -3.496 1.00 1.09 H new ATOM 0 HD3 PRO A 14 -18.222 -3.031 -3.685 1.00 1.09 H new ATOM 207 N ASN A 15 -13.771 -3.218 -3.777 1.00 0.88 N ATOM 208 CA ASN A 15 -12.472 -2.578 -3.814 1.00 0.76 C ATOM 209 C ASN A 15 -12.031 -2.043 -2.427 1.00 0.69 C ATOM 210 O ASN A 15 -12.848 -1.735 -1.556 1.00 0.90 O ATOM 211 CB ASN A 15 -12.554 -1.449 -4.852 1.00 0.92 C ATOM 212 CG ASN A 15 -13.737 -0.480 -4.741 1.00 1.29 C ATOM 213 OD1 ASN A 15 -14.613 -0.575 -3.894 1.00 2.21 O ATOM 214 ND2 ASN A 15 -13.807 0.491 -5.633 1.00 1.46 N ATOM 0 H ASN A 15 -14.433 -2.659 -3.238 1.00 0.88 H new ATOM 0 HA ASN A 15 -11.711 -3.307 -4.093 1.00 0.76 H new ATOM 0 HB2 ASN A 15 -11.634 -0.867 -4.792 1.00 0.92 H new ATOM 0 HB3 ASN A 15 -12.580 -1.902 -5.843 1.00 0.92 H new ATOM 0 HD21 ASN A 15 -14.585 1.150 -5.610 1.00 1.46 H new ATOM 0 HD22 ASN A 15 -13.083 0.582 -6.346 1.00 1.46 H new ATOM 221 N ALA A 16 -10.714 -1.910 -2.227 1.00 0.55 N ATOM 222 CA ALA A 16 -10.064 -1.515 -0.966 1.00 0.52 C ATOM 223 C ALA A 16 -8.724 -0.781 -1.206 1.00 0.45 C ATOM 224 O ALA A 16 -8.372 -0.492 -2.348 1.00 0.42 O ATOM 225 CB ALA A 16 -9.932 -2.757 -0.066 1.00 0.57 C ATOM 0 H ALA A 16 -10.039 -2.082 -2.972 1.00 0.55 H new ATOM 0 HA ALA A 16 -10.685 -0.785 -0.447 1.00 0.52 H new ATOM 0 HB1 ALA A 16 -9.452 -2.477 0.872 1.00 0.57 H new ATOM 0 HB2 ALA A 16 -10.922 -3.164 0.140 1.00 0.57 H new ATOM 0 HB3 ALA A 16 -9.329 -3.511 -0.572 1.00 0.57 H new ATOM 231 N ALA A 17 -7.991 -0.433 -0.137 1.00 0.47 N ATOM 232 CA ALA A 17 -6.722 0.314 -0.171 1.00 0.41 C ATOM 233 C ALA A 17 -5.876 -0.007 1.078 1.00 0.55 C ATOM 234 O ALA A 17 -6.412 0.067 2.184 1.00 0.95 O ATOM 235 CB ALA A 17 -7.044 1.815 -0.219 1.00 0.54 C ATOM 0 H ALA A 17 -8.276 -0.673 0.812 1.00 0.47 H new ATOM 0 HA ALA A 17 -6.148 0.026 -1.052 1.00 0.41 H new ATOM 0 HB1 ALA A 17 -6.116 2.386 -0.245 1.00 0.54 H new ATOM 0 HB2 ALA A 17 -7.629 2.033 -1.112 1.00 0.54 H new ATOM 0 HB3 ALA A 17 -7.616 2.093 0.666 1.00 0.54 H new ATOM 241 N ALA A 18 -4.591 -0.354 0.919 1.00 0.44 N ATOM 242 CA ALA A 18 -3.734 -0.898 1.984 1.00 0.48 C ATOM 243 C ALA A 18 -2.494 -0.034 2.267 1.00 0.44 C ATOM 244 O ALA A 18 -1.868 0.487 1.341 1.00 0.43 O ATOM 245 CB ALA A 18 -3.327 -2.329 1.598 1.00 0.54 C ATOM 0 H ALA A 18 -4.107 -0.262 0.026 1.00 0.44 H new ATOM 0 HA ALA A 18 -4.307 -0.899 2.911 1.00 0.48 H new ATOM 0 HB1 ALA A 18 -2.690 -2.749 2.377 1.00 0.54 H new ATOM 0 HB2 ALA A 18 -4.220 -2.944 1.488 1.00 0.54 H new ATOM 0 HB3 ALA A 18 -2.781 -2.310 0.655 1.00 0.54 H new ATOM 251 N TYR A 19 -2.135 0.080 3.549 1.00 0.52 N ATOM 252 CA TYR A 19 -1.114 0.989 4.078 1.00 0.58 C ATOM 253 C TYR A 19 -0.085 0.201 4.899 1.00 0.71 C ATOM 254 O TYR A 19 -0.451 -0.382 5.918 1.00 1.10 O ATOM 255 CB TYR A 19 -1.830 2.018 4.973 1.00 0.69 C ATOM 256 CG TYR A 19 -3.008 2.713 4.314 1.00 0.84 C ATOM 257 CD1 TYR A 19 -2.790 3.512 3.182 1.00 2.15 C ATOM 258 CD2 TYR A 19 -4.315 2.554 4.809 1.00 1.81 C ATOM 259 CE1 TYR A 19 -3.868 4.147 2.532 1.00 2.43 C ATOM 260 CE2 TYR A 19 -5.396 3.204 4.180 1.00 2.01 C ATOM 261 CZ TYR A 19 -5.178 3.997 3.031 1.00 1.67 C ATOM 262 OH TYR A 19 -6.214 4.633 2.416 1.00 2.15 O ATOM 0 H TYR A 19 -2.568 -0.485 4.280 1.00 0.52 H new ATOM 0 HA TYR A 19 -0.587 1.490 3.266 1.00 0.58 H new ATOM 0 HB2 TYR A 19 -2.179 1.516 5.875 1.00 0.69 H new ATOM 0 HB3 TYR A 19 -1.108 2.772 5.287 1.00 0.69 H new ATOM 0 HD1 TYR A 19 -1.786 3.642 2.805 1.00 2.15 H new ATOM 0 HD2 TYR A 19 -4.491 1.932 5.674 1.00 1.81 H new ATOM 0 HE1 TYR A 19 -3.690 4.748 1.652 1.00 2.43 H new ATOM 0 HE2 TYR A 19 -6.394 3.096 4.578 1.00 2.01 H new ATOM 0 HH TYR A 19 -7.037 4.115 2.541 1.00 2.15 H new ATOM 272 N LEU A 20 1.190 0.136 4.486 1.00 1.08 N ATOM 273 CA LEU A 20 2.168 -0.818 5.039 1.00 1.08 C ATOM 274 C LEU A 20 3.639 -0.454 4.827 1.00 0.99 C ATOM 275 O LEU A 20 3.967 0.643 4.381 1.00 0.93 O ATOM 276 CB LEU A 20 1.800 -2.285 4.668 1.00 1.21 C ATOM 277 CG LEU A 20 1.953 -2.816 3.228 1.00 1.28 C ATOM 278 CD1 LEU A 20 1.179 -1.988 2.203 1.00 2.92 C ATOM 279 CD2 LEU A 20 3.399 -3.007 2.754 1.00 1.91 C ATOM 0 H LEU A 20 1.573 0.742 3.760 1.00 1.08 H new ATOM 0 HA LEU A 20 2.079 -0.736 6.122 1.00 1.08 H new ATOM 0 HB2 LEU A 20 2.397 -2.933 5.309 1.00 1.21 H new ATOM 0 HB3 LEU A 20 0.757 -2.431 4.950 1.00 1.21 H new ATOM 0 HG LEU A 20 1.512 -3.811 3.288 1.00 1.28 H new ATOM 0 HD11 LEU A 20 1.325 -2.410 1.209 1.00 2.92 H new ATOM 0 HD12 LEU A 20 0.118 -2.002 2.451 1.00 2.92 H new ATOM 0 HD13 LEU A 20 1.541 -0.960 2.217 1.00 2.92 H new ATOM 0 HD21 LEU A 20 3.400 -3.383 1.731 1.00 1.91 H new ATOM 0 HD22 LEU A 20 3.923 -2.052 2.790 1.00 1.91 H new ATOM 0 HD23 LEU A 20 3.903 -3.722 3.404 1.00 1.91 H new ATOM 291 N THR A 21 4.534 -1.357 5.227 1.00 1.33 N ATOM 292 CA THR A 21 5.932 -1.057 5.532 1.00 1.35 C ATOM 293 C THR A 21 6.864 -1.615 4.465 1.00 1.69 C ATOM 294 O THR A 21 6.723 -2.763 4.055 1.00 2.09 O ATOM 295 CB THR A 21 6.232 -1.642 6.915 1.00 1.63 C ATOM 296 OG1 THR A 21 5.330 -1.041 7.818 1.00 1.80 O ATOM 297 CG2 THR A 21 7.671 -1.415 7.359 1.00 2.06 C ATOM 0 H THR A 21 4.301 -2.342 5.351 1.00 1.33 H new ATOM 0 HA THR A 21 6.099 0.020 5.539 1.00 1.35 H new ATOM 0 HB THR A 21 6.108 -2.724 6.883 1.00 1.63 H new ATOM 0 HG1 THR A 21 5.513 -0.080 7.872 1.00 1.80 H new ATOM 0 HG21 THR A 21 7.821 -1.852 8.346 1.00 2.06 H new ATOM 0 HG22 THR A 21 8.350 -1.885 6.647 1.00 2.06 H new ATOM 0 HG23 THR A 21 7.874 -0.345 7.402 1.00 2.06 H new ATOM 305 N LEU A 22 7.840 -0.811 4.033 1.00 1.72 N ATOM 306 CA LEU A 22 8.935 -1.224 3.150 1.00 2.14 C ATOM 307 C LEU A 22 10.251 -1.115 3.928 1.00 1.78 C ATOM 308 O LEU A 22 10.736 -0.014 4.205 1.00 1.82 O ATOM 309 CB LEU A 22 8.934 -0.352 1.877 1.00 2.63 C ATOM 310 CG LEU A 22 9.624 -0.914 0.618 1.00 3.25 C ATOM 311 CD1 LEU A 22 11.064 -1.397 0.835 1.00 3.69 C ATOM 312 CD2 LEU A 22 8.780 -2.038 0.010 1.00 3.35 C ATOM 0 H LEU A 22 7.892 0.173 4.295 1.00 1.72 H new ATOM 0 HA LEU A 22 8.810 -2.258 2.829 1.00 2.14 H new ATOM 0 HB2 LEU A 22 7.897 -0.135 1.621 1.00 2.63 H new ATOM 0 HB3 LEU A 22 9.408 0.598 2.122 1.00 2.63 H new ATOM 0 HG LEU A 22 9.698 -0.073 -0.072 1.00 3.25 H new ATOM 0 HD11 LEU A 22 11.467 -1.775 -0.105 1.00 3.69 H new ATOM 0 HD12 LEU A 22 11.677 -0.567 1.185 1.00 3.69 H new ATOM 0 HD13 LEU A 22 11.072 -2.193 1.579 1.00 3.69 H new ATOM 0 HD21 LEU A 22 9.278 -2.427 -0.878 1.00 3.35 H new ATOM 0 HD22 LEU A 22 8.661 -2.839 0.739 1.00 3.35 H new ATOM 0 HD23 LEU A 22 7.799 -1.649 -0.264 1.00 3.35 H new ATOM 324 N GLU A 23 10.819 -2.266 4.261 1.00 1.54 N ATOM 325 CA GLU A 23 12.163 -2.382 4.822 1.00 1.30 C ATOM 326 C GLU A 23 13.140 -2.769 3.710 1.00 1.37 C ATOM 327 O GLU A 23 12.854 -3.674 2.924 1.00 1.68 O ATOM 328 CB GLU A 23 12.251 -3.479 5.896 1.00 1.67 C ATOM 329 CG GLU A 23 11.280 -3.386 7.079 1.00 2.04 C ATOM 330 CD GLU A 23 11.543 -2.174 7.964 1.00 2.85 C ATOM 331 OE1 GLU A 23 12.691 -1.992 8.412 1.00 3.46 O ATOM 332 OE2 GLU A 23 10.598 -1.388 8.186 1.00 3.95 O ATOM 0 H GLU A 23 10.351 -3.165 4.147 1.00 1.54 H new ATOM 0 HA GLU A 23 12.406 -1.419 5.270 1.00 1.30 H new ATOM 0 HB2 GLU A 23 12.097 -4.441 5.408 1.00 1.67 H new ATOM 0 HB3 GLU A 23 13.266 -3.482 6.293 1.00 1.67 H new ATOM 0 HG2 GLU A 23 10.258 -3.340 6.702 1.00 2.04 H new ATOM 0 HG3 GLU A 23 11.358 -4.292 7.679 1.00 2.04 H new ATOM 339 N ASN A 24 14.330 -2.166 3.694 1.00 1.16 N ATOM 340 CA ASN A 24 15.477 -2.697 2.968 1.00 1.09 C ATOM 341 C ASN A 24 16.531 -3.226 3.964 1.00 1.00 C ATOM 342 O ASN A 24 17.427 -2.487 4.369 1.00 1.08 O ATOM 343 CB ASN A 24 16.057 -1.628 2.030 1.00 1.14 C ATOM 344 CG ASN A 24 17.040 -2.259 1.052 1.00 1.11 C ATOM 345 OD1 ASN A 24 17.469 -3.397 1.204 1.00 1.51 O ATOM 346 ND2 ASN A 24 17.396 -1.555 -0.002 1.00 1.20 N ATOM 0 H ASN A 24 14.522 -1.294 4.186 1.00 1.16 H new ATOM 0 HA ASN A 24 15.158 -3.534 2.347 1.00 1.09 H new ATOM 0 HB2 ASN A 24 15.251 -1.140 1.482 1.00 1.14 H new ATOM 0 HB3 ASN A 24 16.559 -0.856 2.614 1.00 1.14 H new ATOM 0 HD21 ASN A 24 18.030 -1.957 -0.693 1.00 1.20 H new ATOM 0 HD22 ASN A 24 17.038 -0.608 -0.127 1.00 1.20 H new ATOM 353 N PRO A 25 16.452 -4.507 4.367 1.00 0.94 N ATOM 354 CA PRO A 25 17.461 -5.125 5.226 1.00 0.96 C ATOM 355 C PRO A 25 18.762 -5.465 4.479 1.00 0.96 C ATOM 356 O PRO A 25 19.744 -5.832 5.123 1.00 1.06 O ATOM 357 CB PRO A 25 16.779 -6.386 5.766 1.00 1.05 C ATOM 358 CG PRO A 25 15.844 -6.789 4.625 1.00 1.07 C ATOM 359 CD PRO A 25 15.372 -5.443 4.086 1.00 1.02 C ATOM 0 HA PRO A 25 17.778 -4.444 6.016 1.00 0.96 H new ATOM 0 HB2 PRO A 25 17.502 -7.170 5.991 1.00 1.05 H new ATOM 0 HB3 PRO A 25 16.230 -6.185 6.686 1.00 1.05 H new ATOM 0 HG2 PRO A 25 16.363 -7.371 3.863 1.00 1.07 H new ATOM 0 HG3 PRO A 25 15.012 -7.397 4.979 1.00 1.07 H new ATOM 0 HD2 PRO A 25 15.170 -5.498 3.016 1.00 1.02 H new ATOM 0 HD3 PRO A 25 14.447 -5.130 4.569 1.00 1.02 H new ATOM 367 N GLY A 26 18.785 -5.354 3.143 1.00 0.93 N ATOM 368 CA GLY A 26 19.924 -5.699 2.299 1.00 1.06 C ATOM 369 C GLY A 26 20.915 -4.552 2.129 1.00 1.03 C ATOM 370 O GLY A 26 20.817 -3.501 2.757 1.00 1.20 O ATOM 0 H GLY A 26 17.986 -5.011 2.610 1.00 0.93 H new ATOM 0 HA2 GLY A 26 20.441 -6.556 2.730 1.00 1.06 H new ATOM 0 HA3 GLY A 26 19.561 -6.006 1.318 1.00 1.06 H new ATOM 374 N ASP A 27 21.908 -4.815 1.291 1.00 1.18 N ATOM 375 CA ASP A 27 23.145 -4.053 1.127 1.00 1.40 C ATOM 376 C ASP A 27 23.219 -3.340 -0.236 1.00 1.37 C ATOM 377 O ASP A 27 24.131 -2.566 -0.512 1.00 1.54 O ATOM 378 CB ASP A 27 24.260 -5.088 1.288 1.00 1.82 C ATOM 379 CG ASP A 27 24.276 -5.636 2.717 1.00 2.23 C ATOM 380 OD1 ASP A 27 23.484 -6.561 3.008 1.00 3.27 O ATOM 381 OD2 ASP A 27 24.924 -5.028 3.593 1.00 2.52 O ATOM 0 H ASP A 27 21.871 -5.619 0.665 1.00 1.18 H new ATOM 0 HA ASP A 27 23.221 -3.248 1.858 1.00 1.40 H new ATOM 0 HB2 ASP A 27 24.113 -5.904 0.580 1.00 1.82 H new ATOM 0 HB3 ASP A 27 25.223 -4.634 1.055 1.00 1.82 H new ATOM 386 N LEU A 28 22.212 -3.590 -1.076 1.00 1.23 N ATOM 387 CA LEU A 28 21.959 -2.974 -2.376 1.00 1.20 C ATOM 388 C LEU A 28 20.518 -2.405 -2.383 1.00 1.18 C ATOM 389 O LEU A 28 19.719 -2.776 -1.518 1.00 1.16 O ATOM 390 CB LEU A 28 22.169 -4.030 -3.480 1.00 1.31 C ATOM 391 CG LEU A 28 23.542 -4.747 -3.468 1.00 2.87 C ATOM 392 CD1 LEU A 28 23.485 -6.092 -2.723 1.00 3.99 C ATOM 393 CD2 LEU A 28 24.007 -5.020 -4.907 1.00 3.40 C ATOM 0 H LEU A 28 21.499 -4.282 -0.845 1.00 1.23 H new ATOM 0 HA LEU A 28 22.649 -2.152 -2.565 1.00 1.20 H new ATOM 0 HB2 LEU A 28 21.385 -4.783 -3.392 1.00 1.31 H new ATOM 0 HB3 LEU A 28 22.040 -3.547 -4.449 1.00 1.31 H new ATOM 0 HG LEU A 28 24.239 -4.086 -2.952 1.00 2.87 H new ATOM 0 HD11 LEU A 28 24.470 -6.559 -2.740 1.00 3.99 H new ATOM 0 HD12 LEU A 28 23.181 -5.923 -1.690 1.00 3.99 H new ATOM 0 HD13 LEU A 28 22.764 -6.748 -3.211 1.00 3.99 H new ATOM 0 HD21 LEU A 28 24.973 -5.524 -4.888 1.00 3.40 H new ATOM 0 HD22 LEU A 28 23.277 -5.653 -5.411 1.00 3.40 H new ATOM 0 HD23 LEU A 28 24.101 -4.076 -5.444 1.00 3.40 H new ATOM 405 N PRO A 29 20.144 -1.505 -3.316 1.00 1.21 N ATOM 406 CA PRO A 29 18.868 -0.801 -3.255 1.00 1.17 C ATOM 407 C PRO A 29 17.720 -1.684 -3.763 1.00 1.12 C ATOM 408 O PRO A 29 17.890 -2.487 -4.684 1.00 1.15 O ATOM 409 CB PRO A 29 19.060 0.467 -4.090 1.00 1.21 C ATOM 410 CG PRO A 29 20.100 0.058 -5.132 1.00 1.25 C ATOM 411 CD PRO A 29 20.921 -1.045 -4.456 1.00 1.28 C ATOM 0 HA PRO A 29 18.587 -0.546 -2.233 1.00 1.17 H new ATOM 0 HB2 PRO A 29 18.128 0.784 -4.557 1.00 1.21 H new ATOM 0 HB3 PRO A 29 19.410 1.300 -3.480 1.00 1.21 H new ATOM 0 HG2 PRO A 29 19.625 -0.305 -6.043 1.00 1.25 H new ATOM 0 HG3 PRO A 29 20.729 0.902 -5.415 1.00 1.25 H new ATOM 0 HD2 PRO A 29 21.114 -1.864 -5.149 1.00 1.28 H new ATOM 0 HD3 PRO A 29 21.891 -0.664 -4.135 1.00 1.28 H new ATOM 419 N LEU A 30 16.542 -1.516 -3.158 1.00 1.05 N ATOM 420 CA LEU A 30 15.304 -2.190 -3.548 1.00 0.97 C ATOM 421 C LEU A 30 14.385 -1.216 -4.272 1.00 0.93 C ATOM 422 O LEU A 30 14.289 -0.036 -3.946 1.00 0.91 O ATOM 423 CB LEU A 30 14.567 -2.741 -2.316 1.00 0.94 C ATOM 424 CG LEU A 30 14.913 -4.179 -1.871 1.00 0.94 C ATOM 425 CD1 LEU A 30 16.407 -4.534 -1.921 1.00 2.89 C ATOM 426 CD2 LEU A 30 14.338 -4.428 -0.472 1.00 1.76 C ATOM 0 H LEU A 30 16.421 -0.890 -2.362 1.00 1.05 H new ATOM 0 HA LEU A 30 15.567 -3.017 -4.208 1.00 0.97 H new ATOM 0 HB2 LEU A 30 14.763 -2.072 -1.478 1.00 0.94 H new ATOM 0 HB3 LEU A 30 13.496 -2.698 -2.515 1.00 0.94 H new ATOM 0 HG LEU A 30 14.452 -4.843 -2.602 1.00 0.94 H new ATOM 0 HD11 LEU A 30 16.548 -5.563 -1.590 1.00 2.89 H new ATOM 0 HD12 LEU A 30 16.772 -4.428 -2.943 1.00 2.89 H new ATOM 0 HD13 LEU A 30 16.962 -3.863 -1.266 1.00 2.89 H new ATOM 0 HD21 LEU A 30 14.580 -5.442 -0.154 1.00 1.76 H new ATOM 0 HD22 LEU A 30 14.769 -3.715 0.231 1.00 1.76 H new ATOM 0 HD23 LEU A 30 13.255 -4.304 -0.496 1.00 1.76 H new ATOM 438 N ARG A 31 13.626 -1.784 -5.196 1.00 0.91 N ATOM 439 CA ARG A 31 12.665 -1.089 -6.051 1.00 0.86 C ATOM 440 C ARG A 31 11.408 -1.926 -6.193 1.00 0.87 C ATOM 441 O ARG A 31 11.410 -2.929 -6.910 1.00 0.93 O ATOM 442 CB ARG A 31 13.297 -0.798 -7.416 1.00 0.84 C ATOM 443 CG ARG A 31 12.382 0.044 -8.330 1.00 0.87 C ATOM 444 CD ARG A 31 13.143 1.058 -9.196 1.00 0.77 C ATOM 445 NE ARG A 31 14.212 0.421 -9.993 1.00 1.87 N ATOM 446 CZ ARG A 31 15.515 0.701 -9.942 1.00 1.80 C ATOM 447 NH1 ARG A 31 16.014 1.701 -9.255 1.00 1.66 N ATOM 448 NH2 ARG A 31 16.368 -0.056 -10.600 1.00 3.20 N ATOM 0 H ARG A 31 13.662 -2.786 -5.382 1.00 0.91 H new ATOM 0 HA ARG A 31 12.391 -0.137 -5.596 1.00 0.86 H new ATOM 0 HB2 ARG A 31 14.241 -0.272 -7.270 1.00 0.84 H new ATOM 0 HB3 ARG A 31 13.531 -1.740 -7.912 1.00 0.84 H new ATOM 0 HG2 ARG A 31 11.817 -0.625 -8.980 1.00 0.87 H new ATOM 0 HG3 ARG A 31 11.658 0.577 -7.714 1.00 0.87 H new ATOM 0 HD2 ARG A 31 12.443 1.559 -9.865 1.00 0.77 H new ATOM 0 HD3 ARG A 31 13.578 1.826 -8.556 1.00 0.77 H new ATOM 0 HE ARG A 31 13.924 -0.306 -10.648 1.00 1.87 H new ATOM 0 HH11 ARG A 31 15.396 2.313 -8.722 1.00 1.66 H new ATOM 0 HH12 ARG A 31 17.020 1.867 -9.253 1.00 1.66 H new ATOM 0 HH21 ARG A 31 16.031 -0.850 -11.144 1.00 3.20 H new ATOM 0 HH22 ARG A 31 17.366 0.152 -10.566 1.00 3.20 H new ATOM 462 N LEU A 32 10.359 -1.538 -5.476 1.00 0.83 N ATOM 463 CA LEU A 32 9.056 -2.180 -5.509 1.00 0.88 C ATOM 464 C LEU A 32 8.307 -1.671 -6.728 1.00 0.89 C ATOM 465 O LEU A 32 8.038 -0.484 -6.803 1.00 0.95 O ATOM 466 CB LEU A 32 8.322 -1.856 -4.200 1.00 0.92 C ATOM 467 CG LEU A 32 6.931 -2.525 -4.128 1.00 1.14 C ATOM 468 CD1 LEU A 32 6.613 -2.926 -2.685 1.00 1.36 C ATOM 469 CD2 LEU A 32 5.802 -1.620 -4.654 1.00 2.36 C ATOM 0 H LEU A 32 10.396 -0.744 -4.837 1.00 0.83 H new ATOM 0 HA LEU A 32 9.138 -3.264 -5.589 1.00 0.88 H new ATOM 0 HB2 LEU A 32 8.926 -2.187 -3.355 1.00 0.92 H new ATOM 0 HB3 LEU A 32 8.209 -0.776 -4.107 1.00 0.92 H new ATOM 0 HG LEU A 32 6.978 -3.404 -4.770 1.00 1.14 H new ATOM 0 HD11 LEU A 32 5.630 -3.396 -2.646 1.00 1.36 H new ATOM 0 HD12 LEU A 32 7.366 -3.629 -2.328 1.00 1.36 H new ATOM 0 HD13 LEU A 32 6.616 -2.039 -2.052 1.00 1.36 H new ATOM 0 HD21 LEU A 32 4.850 -2.145 -4.578 1.00 2.36 H new ATOM 0 HD22 LEU A 32 5.762 -0.707 -4.061 1.00 2.36 H new ATOM 0 HD23 LEU A 32 5.994 -1.367 -5.697 1.00 2.36 H new ATOM 481 N VAL A 33 7.936 -2.552 -7.647 1.00 0.82 N ATOM 482 CA VAL A 33 7.202 -2.208 -8.880 1.00 0.74 C ATOM 483 C VAL A 33 5.760 -2.756 -8.844 1.00 0.69 C ATOM 484 O VAL A 33 4.940 -2.416 -9.691 1.00 0.73 O ATOM 485 CB VAL A 33 7.945 -2.754 -10.126 1.00 0.78 C ATOM 486 CG1 VAL A 33 9.372 -2.186 -10.238 1.00 0.81 C ATOM 487 CG2 VAL A 33 8.054 -4.294 -10.127 1.00 0.83 C ATOM 0 H VAL A 33 8.136 -3.549 -7.564 1.00 0.82 H new ATOM 0 HA VAL A 33 7.153 -1.121 -8.944 1.00 0.74 H new ATOM 0 HB VAL A 33 7.343 -2.432 -10.976 1.00 0.78 H new ATOM 0 HG11 VAL A 33 9.857 -2.594 -11.124 1.00 0.81 H new ATOM 0 HG12 VAL A 33 9.326 -1.100 -10.317 1.00 0.81 H new ATOM 0 HG13 VAL A 33 9.944 -2.462 -9.352 1.00 0.81 H new ATOM 0 HG21 VAL A 33 8.583 -4.621 -11.022 1.00 0.83 H new ATOM 0 HG22 VAL A 33 8.601 -4.621 -9.243 1.00 0.83 H new ATOM 0 HG23 VAL A 33 7.055 -4.729 -10.117 1.00 0.83 H new ATOM 497 N GLY A 34 5.467 -3.647 -7.883 1.00 0.64 N ATOM 498 CA GLY A 34 4.200 -4.365 -7.754 1.00 0.66 C ATOM 499 C GLY A 34 3.926 -4.896 -6.352 1.00 0.62 C ATOM 500 O GLY A 34 4.715 -4.719 -5.425 1.00 0.59 O ATOM 0 H GLY A 34 6.134 -3.892 -7.151 1.00 0.64 H new ATOM 0 HA2 GLY A 34 3.387 -3.700 -8.044 1.00 0.66 H new ATOM 0 HA3 GLY A 34 4.195 -5.200 -8.455 1.00 0.66 H new ATOM 504 N ALA A 35 2.818 -5.619 -6.231 1.00 0.66 N ATOM 505 CA ALA A 35 2.400 -6.351 -5.042 1.00 0.59 C ATOM 506 C ALA A 35 1.478 -7.517 -5.437 1.00 0.53 C ATOM 507 O ALA A 35 1.165 -7.707 -6.614 1.00 0.53 O ATOM 508 CB ALA A 35 1.738 -5.361 -4.071 1.00 0.64 C ATOM 0 H ALA A 35 2.154 -5.715 -6.999 1.00 0.66 H new ATOM 0 HA ALA A 35 3.255 -6.798 -4.535 1.00 0.59 H new ATOM 0 HB1 ALA A 35 1.418 -5.890 -3.174 1.00 0.64 H new ATOM 0 HB2 ALA A 35 2.453 -4.585 -3.799 1.00 0.64 H new ATOM 0 HB3 ALA A 35 0.872 -4.904 -4.551 1.00 0.64 H new ATOM 514 N ARG A 36 1.013 -8.265 -4.443 1.00 0.51 N ATOM 515 CA ARG A 36 -0.092 -9.222 -4.534 1.00 0.47 C ATOM 516 C ARG A 36 -0.701 -9.419 -3.144 1.00 0.52 C ATOM 517 O ARG A 36 -0.287 -8.754 -2.206 1.00 0.66 O ATOM 518 CB ARG A 36 0.370 -10.540 -5.192 1.00 0.55 C ATOM 519 CG ARG A 36 -0.457 -10.854 -6.436 1.00 1.28 C ATOM 520 CD ARG A 36 -1.927 -11.175 -6.096 1.00 2.78 C ATOM 521 NE ARG A 36 -2.777 -11.388 -7.274 1.00 3.61 N ATOM 522 CZ ARG A 36 -2.926 -12.509 -7.963 1.00 4.13 C ATOM 523 NH1 ARG A 36 -2.157 -13.566 -7.773 1.00 4.00 N ATOM 524 NH2 ARG A 36 -3.886 -12.558 -8.859 1.00 5.31 N ATOM 0 H ARG A 36 1.413 -8.221 -3.506 1.00 0.51 H new ATOM 0 HA ARG A 36 -0.874 -8.829 -5.183 1.00 0.47 H new ATOM 0 HB2 ARG A 36 1.424 -10.465 -5.461 1.00 0.55 H new ATOM 0 HB3 ARG A 36 0.281 -11.358 -4.477 1.00 0.55 H new ATOM 0 HG2 ARG A 36 -0.421 -10.004 -7.117 1.00 1.28 H new ATOM 0 HG3 ARG A 36 -0.014 -11.701 -6.960 1.00 1.28 H new ATOM 0 HD2 ARG A 36 -1.959 -12.068 -5.471 1.00 2.78 H new ATOM 0 HD3 ARG A 36 -2.340 -10.357 -5.505 1.00 2.78 H new ATOM 0 HE ARG A 36 -3.313 -10.583 -7.598 1.00 3.61 H new ATOM 0 HH11 ARG A 36 -1.415 -13.538 -7.074 1.00 4.00 H new ATOM 0 HH12 ARG A 36 -2.305 -14.411 -8.325 1.00 4.00 H new ATOM 0 HH21 ARG A 36 -4.488 -11.748 -9.006 1.00 5.31 H new ATOM 0 HH22 ARG A 36 -4.029 -13.406 -9.408 1.00 5.31 H new ATOM 538 N THR A 37 -1.699 -10.288 -3.009 1.00 0.55 N ATOM 539 CA THR A 37 -2.566 -10.493 -1.847 1.00 0.54 C ATOM 540 C THR A 37 -3.533 -11.615 -2.221 1.00 0.57 C ATOM 541 O THR A 37 -3.805 -11.758 -3.418 1.00 0.66 O ATOM 542 CB THR A 37 -3.302 -9.192 -1.486 1.00 0.56 C ATOM 543 OG1 THR A 37 -4.249 -9.451 -0.491 1.00 0.66 O ATOM 544 CG2 THR A 37 -4.036 -8.504 -2.640 1.00 0.63 C ATOM 0 H THR A 37 -1.944 -10.920 -3.771 1.00 0.55 H new ATOM 0 HA THR A 37 -1.994 -10.770 -0.962 1.00 0.54 H new ATOM 0 HB THR A 37 -2.512 -8.514 -1.164 1.00 0.56 H new ATOM 0 HG1 THR A 37 -3.800 -9.520 0.378 1.00 0.66 H new ATOM 0 HG21 THR A 37 -4.520 -7.598 -2.275 1.00 0.63 H new ATOM 0 HG22 THR A 37 -3.322 -8.245 -3.422 1.00 0.63 H new ATOM 0 HG23 THR A 37 -4.790 -9.179 -3.046 1.00 0.63 H new ATOM 552 N PRO A 38 -4.084 -12.391 -1.274 1.00 0.60 N ATOM 553 CA PRO A 38 -5.120 -13.358 -1.604 1.00 0.62 C ATOM 554 C PRO A 38 -6.472 -12.696 -1.899 1.00 0.63 C ATOM 555 O PRO A 38 -7.332 -13.338 -2.488 1.00 0.80 O ATOM 556 CB PRO A 38 -5.166 -14.303 -0.404 1.00 0.69 C ATOM 557 CG PRO A 38 -4.637 -13.493 0.779 1.00 0.74 C ATOM 558 CD PRO A 38 -3.742 -12.435 0.141 1.00 0.74 C ATOM 0 HA PRO A 38 -4.896 -13.895 -2.526 1.00 0.62 H new ATOM 0 HB2 PRO A 38 -6.182 -14.650 -0.218 1.00 0.69 H new ATOM 0 HB3 PRO A 38 -4.554 -15.188 -0.578 1.00 0.69 H new ATOM 0 HG2 PRO A 38 -5.450 -13.038 1.345 1.00 0.74 H new ATOM 0 HG3 PRO A 38 -4.078 -14.121 1.473 1.00 0.74 H new ATOM 0 HD2 PRO A 38 -3.900 -11.463 0.607 1.00 0.74 H new ATOM 0 HD3 PRO A 38 -2.690 -12.686 0.277 1.00 0.74 H new ATOM 566 N VAL A 39 -6.657 -11.427 -1.508 1.00 0.57 N ATOM 567 CA VAL A 39 -7.968 -10.748 -1.510 1.00 0.56 C ATOM 568 C VAL A 39 -8.091 -9.593 -2.521 1.00 0.53 C ATOM 569 O VAL A 39 -8.699 -8.574 -2.204 1.00 0.61 O ATOM 570 CB VAL A 39 -8.388 -10.300 -0.090 1.00 0.65 C ATOM 571 CG1 VAL A 39 -8.519 -11.511 0.843 1.00 0.78 C ATOM 572 CG2 VAL A 39 -7.399 -9.313 0.541 1.00 0.73 C ATOM 0 H VAL A 39 -5.895 -10.834 -1.178 1.00 0.57 H new ATOM 0 HA VAL A 39 -8.671 -11.507 -1.854 1.00 0.56 H new ATOM 0 HB VAL A 39 -9.348 -9.797 -0.208 1.00 0.65 H new ATOM 0 HG11 VAL A 39 -8.815 -11.174 1.837 1.00 0.78 H new ATOM 0 HG12 VAL A 39 -9.274 -12.193 0.451 1.00 0.78 H new ATOM 0 HG13 VAL A 39 -7.561 -12.028 0.905 1.00 0.78 H new ATOM 0 HG21 VAL A 39 -7.747 -9.035 1.536 1.00 0.73 H new ATOM 0 HG22 VAL A 39 -6.417 -9.780 0.617 1.00 0.73 H new ATOM 0 HG23 VAL A 39 -7.329 -8.421 -0.081 1.00 0.73 H new ATOM 582 N ALA A 40 -7.576 -9.741 -3.750 1.00 0.52 N ATOM 583 CA ALA A 40 -7.841 -8.809 -4.863 1.00 0.52 C ATOM 584 C ALA A 40 -7.387 -9.391 -6.220 1.00 0.66 C ATOM 585 O ALA A 40 -6.336 -10.028 -6.293 1.00 1.12 O ATOM 586 CB ALA A 40 -7.120 -7.479 -4.600 1.00 0.64 C ATOM 0 H ALA A 40 -6.960 -10.514 -4.004 1.00 0.52 H new ATOM 0 HA ALA A 40 -8.918 -8.647 -4.917 1.00 0.52 H new ATOM 0 HB1 ALA A 40 -7.316 -6.790 -5.422 1.00 0.64 H new ATOM 0 HB2 ALA A 40 -7.485 -7.045 -3.669 1.00 0.64 H new ATOM 0 HB3 ALA A 40 -6.047 -7.656 -4.522 1.00 0.64 H new ATOM 592 N GLU A 41 -8.138 -9.147 -7.296 1.00 0.58 N ATOM 593 CA GLU A 41 -7.759 -9.527 -8.663 1.00 0.68 C ATOM 594 C GLU A 41 -6.661 -8.586 -9.188 1.00 0.61 C ATOM 595 O GLU A 41 -5.549 -9.018 -9.507 1.00 0.90 O ATOM 596 CB GLU A 41 -9.004 -9.495 -9.577 1.00 0.88 C ATOM 597 CG GLU A 41 -8.939 -10.530 -10.709 1.00 1.03 C ATOM 598 CD GLU A 41 -9.425 -11.879 -10.191 1.00 1.74 C ATOM 599 OE1 GLU A 41 -8.682 -12.538 -9.432 1.00 2.67 O ATOM 600 OE2 GLU A 41 -10.621 -12.197 -10.356 1.00 2.71 O ATOM 0 H GLU A 41 -9.040 -8.673 -7.244 1.00 0.58 H new ATOM 0 HA GLU A 41 -7.360 -10.541 -8.661 1.00 0.68 H new ATOM 0 HB2 GLU A 41 -9.895 -9.677 -8.976 1.00 0.88 H new ATOM 0 HB3 GLU A 41 -9.107 -8.499 -10.007 1.00 0.88 H new ATOM 0 HG2 GLU A 41 -9.555 -10.207 -11.548 1.00 1.03 H new ATOM 0 HG3 GLU A 41 -7.917 -10.617 -11.079 1.00 1.03 H new ATOM 607 N ARG A 42 -6.954 -7.276 -9.191 1.00 0.60 N ATOM 608 CA ARG A 42 -5.979 -6.206 -9.319 1.00 0.57 C ATOM 609 C ARG A 42 -5.417 -5.901 -7.938 1.00 0.63 C ATOM 610 O ARG A 42 -6.156 -5.722 -6.971 1.00 0.81 O ATOM 611 CB ARG A 42 -6.603 -4.882 -9.793 1.00 1.03 C ATOM 612 CG ARG A 42 -7.227 -4.822 -11.190 1.00 1.47 C ATOM 613 CD ARG A 42 -7.547 -3.340 -11.447 1.00 2.40 C ATOM 614 NE ARG A 42 -8.270 -3.101 -12.708 1.00 3.15 N ATOM 615 CZ ARG A 42 -8.618 -1.889 -13.140 1.00 4.36 C ATOM 616 NH1 ARG A 42 -8.362 -0.801 -12.440 1.00 5.01 N ATOM 617 NH2 ARG A 42 -9.227 -1.753 -14.299 1.00 5.37 N ATOM 0 H ARG A 42 -7.910 -6.932 -9.101 1.00 0.60 H new ATOM 0 HA ARG A 42 -5.237 -6.547 -10.041 1.00 0.57 H new ATOM 0 HB2 ARG A 42 -7.374 -4.604 -9.074 1.00 1.03 H new ATOM 0 HB3 ARG A 42 -5.830 -4.116 -9.743 1.00 1.03 H new ATOM 0 HG2 ARG A 42 -6.539 -5.209 -11.942 1.00 1.47 H new ATOM 0 HG3 ARG A 42 -8.130 -5.431 -11.241 1.00 1.47 H new ATOM 0 HD2 ARG A 42 -8.143 -2.957 -10.619 1.00 2.40 H new ATOM 0 HD3 ARG A 42 -6.616 -2.773 -11.459 1.00 2.40 H new ATOM 0 HE ARG A 42 -8.518 -3.907 -13.282 1.00 3.15 H new ATOM 0 HH11 ARG A 42 -7.885 -0.873 -11.541 1.00 5.01 H new ATOM 0 HH12 ARG A 42 -8.641 0.113 -12.797 1.00 5.01 H new ATOM 0 HH21 ARG A 42 -9.433 -2.575 -14.867 1.00 5.37 H new ATOM 0 HH22 ARG A 42 -9.493 -0.825 -14.629 1.00 5.37 H new ATOM 631 N VAL A 43 -4.119 -5.661 -7.919 1.00 0.73 N ATOM 632 CA VAL A 43 -3.537 -4.611 -7.076 1.00 0.59 C ATOM 633 C VAL A 43 -3.069 -3.468 -7.988 1.00 0.70 C ATOM 634 O VAL A 43 -2.763 -3.703 -9.158 1.00 1.16 O ATOM 635 CB VAL A 43 -2.401 -5.148 -6.180 1.00 0.64 C ATOM 636 CG1 VAL A 43 -1.073 -5.333 -6.929 1.00 0.91 C ATOM 637 CG2 VAL A 43 -2.181 -4.268 -4.940 1.00 0.62 C ATOM 0 H VAL A 43 -3.438 -6.176 -8.477 1.00 0.73 H new ATOM 0 HA VAL A 43 -4.293 -4.236 -6.386 1.00 0.59 H new ATOM 0 HB VAL A 43 -2.736 -6.134 -5.858 1.00 0.64 H new ATOM 0 HG11 VAL A 43 -0.317 -5.713 -6.241 1.00 0.91 H new ATOM 0 HG12 VAL A 43 -1.211 -6.043 -7.745 1.00 0.91 H new ATOM 0 HG13 VAL A 43 -0.747 -4.375 -7.333 1.00 0.91 H new ATOM 0 HG21 VAL A 43 -1.373 -4.683 -4.338 1.00 0.62 H new ATOM 0 HG22 VAL A 43 -1.918 -3.257 -5.253 1.00 0.62 H new ATOM 0 HG23 VAL A 43 -3.096 -4.238 -4.348 1.00 0.62 H new ATOM 647 N GLU A 44 -3.017 -2.256 -7.450 1.00 0.50 N ATOM 648 CA GLU A 44 -2.478 -1.043 -8.073 1.00 0.49 C ATOM 649 C GLU A 44 -1.605 -0.320 -7.042 1.00 0.52 C ATOM 650 O GLU A 44 -1.870 -0.406 -5.843 1.00 0.80 O ATOM 651 CB GLU A 44 -3.625 -0.106 -8.491 1.00 0.65 C ATOM 652 CG GLU A 44 -4.513 -0.671 -9.612 1.00 1.29 C ATOM 653 CD GLU A 44 -5.876 0.023 -9.702 1.00 2.13 C ATOM 654 OE1 GLU A 44 -5.976 1.208 -9.310 1.00 2.97 O ATOM 655 OE2 GLU A 44 -6.826 -0.645 -10.177 1.00 3.00 O ATOM 0 H GLU A 44 -3.370 -2.078 -6.510 1.00 0.50 H new ATOM 0 HA GLU A 44 -1.898 -1.314 -8.955 1.00 0.49 H new ATOM 0 HB2 GLU A 44 -4.246 0.104 -7.620 1.00 0.65 H new ATOM 0 HB3 GLU A 44 -3.204 0.844 -8.819 1.00 0.65 H new ATOM 0 HG2 GLU A 44 -3.995 -0.568 -10.565 1.00 1.29 H new ATOM 0 HG3 GLU A 44 -4.665 -1.737 -9.446 1.00 1.29 H new ATOM 662 N LEU A 45 -0.599 0.432 -7.487 1.00 0.51 N ATOM 663 CA LEU A 45 0.219 1.281 -6.614 1.00 0.56 C ATOM 664 C LEU A 45 -0.145 2.756 -6.830 1.00 0.47 C ATOM 665 O LEU A 45 -0.084 3.251 -7.959 1.00 0.51 O ATOM 666 CB LEU A 45 1.699 0.999 -6.917 1.00 0.88 C ATOM 667 CG LEU A 45 2.661 1.732 -5.962 1.00 0.48 C ATOM 668 CD1 LEU A 45 2.812 1.029 -4.609 1.00 0.94 C ATOM 669 CD2 LEU A 45 4.036 1.804 -6.617 1.00 1.10 C ATOM 0 H LEU A 45 -0.325 0.471 -8.469 1.00 0.51 H new ATOM 0 HA LEU A 45 0.030 1.057 -5.564 1.00 0.56 H new ATOM 0 HB2 LEU A 45 1.879 -0.074 -6.852 1.00 0.88 H new ATOM 0 HB3 LEU A 45 1.917 1.297 -7.943 1.00 0.88 H new ATOM 0 HG LEU A 45 2.242 2.721 -5.777 1.00 0.48 H new ATOM 0 HD11 LEU A 45 3.502 1.593 -3.981 1.00 0.94 H new ATOM 0 HD12 LEU A 45 1.840 0.970 -4.119 1.00 0.94 H new ATOM 0 HD13 LEU A 45 3.202 0.023 -4.763 1.00 0.94 H new ATOM 0 HD21 LEU A 45 4.729 2.321 -5.953 1.00 1.10 H new ATOM 0 HD22 LEU A 45 4.401 0.795 -6.809 1.00 1.10 H new ATOM 0 HD23 LEU A 45 3.962 2.348 -7.559 1.00 1.10 H new ATOM 681 N HIS A 46 -0.514 3.458 -5.757 1.00 0.45 N ATOM 682 CA HIS A 46 -0.959 4.856 -5.771 1.00 0.43 C ATOM 683 C HIS A 46 -0.144 5.787 -4.848 1.00 0.43 C ATOM 684 O HIS A 46 0.461 5.372 -3.855 1.00 0.52 O ATOM 685 CB HIS A 46 -2.434 4.927 -5.324 1.00 0.44 C ATOM 686 CG HIS A 46 -3.512 4.344 -6.202 1.00 0.45 C ATOM 687 ND1 HIS A 46 -4.849 4.314 -5.848 1.00 0.45 N ATOM 688 CD2 HIS A 46 -3.402 3.761 -7.434 1.00 0.50 C ATOM 689 CE1 HIS A 46 -5.519 3.742 -6.850 1.00 0.49 C ATOM 690 NE2 HIS A 46 -4.673 3.367 -7.821 1.00 0.54 N ATOM 0 H HIS A 46 -0.512 3.056 -4.820 1.00 0.45 H new ATOM 0 HA HIS A 46 -0.817 5.203 -6.795 1.00 0.43 H new ATOM 0 HB2 HIS A 46 -2.504 4.435 -4.354 1.00 0.44 H new ATOM 0 HB3 HIS A 46 -2.676 5.978 -5.167 1.00 0.44 H new ATOM 0 HD1 HIS A 46 -5.250 4.666 -4.978 1.00 0.45 H new ATOM 0 HD2 HIS A 46 -2.492 3.631 -8.001 1.00 0.50 H new ATOM 0 HE1 HIS A 46 -6.589 3.601 -6.876 1.00 0.49 H new ATOM 0 HE2 HIS A 46 -4.919 2.882 -8.684 1.00 0.54 H new ATOM 698 N GLU A 47 -0.235 7.079 -5.149 1.00 0.42 N ATOM 699 CA GLU A 47 0.137 8.200 -4.285 1.00 0.45 C ATOM 700 C GLU A 47 -1.090 9.073 -3.966 1.00 0.59 C ATOM 701 O GLU A 47 -2.115 8.976 -4.647 1.00 0.85 O ATOM 702 CB GLU A 47 1.345 8.935 -4.885 1.00 0.61 C ATOM 703 CG GLU A 47 1.197 9.634 -6.242 1.00 1.05 C ATOM 704 CD GLU A 47 0.676 11.064 -6.175 1.00 1.08 C ATOM 705 OE1 GLU A 47 1.411 11.993 -5.783 1.00 1.96 O ATOM 706 OE2 GLU A 47 -0.438 11.301 -6.675 1.00 2.31 O ATOM 0 H GLU A 47 -0.590 7.392 -6.053 1.00 0.42 H new ATOM 0 HA GLU A 47 0.471 7.847 -3.309 1.00 0.45 H new ATOM 0 HB2 GLU A 47 1.664 9.686 -4.162 1.00 0.61 H new ATOM 0 HB3 GLU A 47 2.157 8.213 -4.975 1.00 0.61 H new ATOM 0 HG2 GLU A 47 2.167 9.639 -6.739 1.00 1.05 H new ATOM 0 HG3 GLU A 47 0.523 9.046 -6.865 1.00 1.05 H new ATOM 713 N THR A 48 -0.999 9.854 -2.879 1.00 0.55 N ATOM 714 CA THR A 48 -2.055 10.744 -2.357 1.00 0.48 C ATOM 715 C THR A 48 -1.384 12.066 -2.009 1.00 0.45 C ATOM 716 O THR A 48 -0.241 12.048 -1.550 1.00 0.50 O ATOM 717 CB THR A 48 -2.721 10.198 -1.084 1.00 0.53 C ATOM 718 OG1 THR A 48 -3.024 8.841 -1.244 1.00 0.75 O ATOM 719 CG2 THR A 48 -4.027 10.901 -0.718 1.00 0.83 C ATOM 0 H THR A 48 -0.151 9.886 -2.313 1.00 0.55 H new ATOM 0 HA THR A 48 -2.833 10.841 -3.114 1.00 0.48 H new ATOM 0 HB THR A 48 -1.998 10.373 -0.287 1.00 0.53 H new ATOM 0 HG1 THR A 48 -2.314 8.298 -0.843 1.00 0.75 H new ATOM 0 HG21 THR A 48 -4.436 10.459 0.191 1.00 0.83 H new ATOM 0 HG22 THR A 48 -3.835 11.961 -0.552 1.00 0.83 H new ATOM 0 HG23 THR A 48 -4.743 10.785 -1.531 1.00 0.83 H new ATOM 727 N PHE A 49 -2.078 13.188 -2.195 1.00 0.49 N ATOM 728 CA PHE A 49 -1.475 14.524 -2.149 1.00 0.56 C ATOM 729 C PHE A 49 -2.485 15.643 -1.856 1.00 0.56 C ATOM 730 O PHE A 49 -3.699 15.462 -1.919 1.00 0.55 O ATOM 731 CB PHE A 49 -0.774 14.794 -3.492 1.00 0.61 C ATOM 732 CG PHE A 49 -1.711 14.705 -4.684 1.00 0.59 C ATOM 733 CD1 PHE A 49 -2.448 15.825 -5.110 1.00 1.68 C ATOM 734 CD2 PHE A 49 -1.908 13.472 -5.323 1.00 1.86 C ATOM 735 CE1 PHE A 49 -3.361 15.714 -6.175 1.00 1.63 C ATOM 736 CE2 PHE A 49 -2.791 13.366 -6.399 1.00 1.99 C ATOM 737 CZ PHE A 49 -3.505 14.483 -6.850 1.00 0.81 C ATOM 0 H PHE A 49 -3.080 13.198 -2.383 1.00 0.49 H new ATOM 0 HA PHE A 49 -0.764 14.532 -1.323 1.00 0.56 H new ATOM 0 HB2 PHE A 49 -0.323 15.786 -3.466 1.00 0.61 H new ATOM 0 HB3 PHE A 49 0.037 14.078 -3.621 1.00 0.61 H new ATOM 0 HD1 PHE A 49 -2.312 16.776 -4.617 1.00 1.68 H new ATOM 0 HD2 PHE A 49 -1.373 12.599 -4.980 1.00 1.86 H new ATOM 0 HE1 PHE A 49 -3.950 16.568 -6.475 1.00 1.63 H new ATOM 0 HE2 PHE A 49 -2.925 12.413 -6.889 1.00 1.99 H new ATOM 0 HZ PHE A 49 -4.159 14.403 -7.706 1.00 0.81 H new ATOM 747 N MET A 50 -1.948 16.843 -1.621 1.00 0.66 N ATOM 748 CA MET A 50 -2.667 18.112 -1.549 1.00 0.70 C ATOM 749 C MET A 50 -2.506 18.887 -2.867 1.00 0.66 C ATOM 750 O MET A 50 -1.399 18.987 -3.391 1.00 0.66 O ATOM 751 CB MET A 50 -2.091 18.901 -0.362 1.00 0.84 C ATOM 752 CG MET A 50 -2.700 20.299 -0.245 1.00 2.12 C ATOM 753 SD MET A 50 -2.293 21.199 1.276 1.00 2.43 S ATOM 754 CE MET A 50 -0.488 21.271 1.137 1.00 3.17 C ATOM 0 H MET A 50 -0.946 16.959 -1.468 1.00 0.66 H new ATOM 0 HA MET A 50 -3.735 17.949 -1.401 1.00 0.70 H new ATOM 0 HB2 MET A 50 -2.273 18.350 0.561 1.00 0.84 H new ATOM 0 HB3 MET A 50 -1.010 18.986 -0.475 1.00 0.84 H new ATOM 0 HG2 MET A 50 -2.371 20.893 -1.098 1.00 2.12 H new ATOM 0 HG3 MET A 50 -3.784 20.212 -0.317 1.00 2.12 H new ATOM 0 HE1 MET A 50 -0.087 21.901 1.931 1.00 3.17 H new ATOM 0 HE2 MET A 50 -0.076 20.266 1.228 1.00 3.17 H new ATOM 0 HE3 MET A 50 -0.214 21.689 0.168 1.00 3.17 H new ATOM 764 N ARG A 51 -3.594 19.467 -3.387 1.00 0.77 N ATOM 765 CA ARG A 51 -3.583 20.390 -4.535 1.00 0.75 C ATOM 766 C ARG A 51 -4.514 21.587 -4.280 1.00 0.82 C ATOM 767 O ARG A 51 -5.616 21.432 -3.756 1.00 1.09 O ATOM 768 CB ARG A 51 -3.929 19.652 -5.847 1.00 0.92 C ATOM 769 CG ARG A 51 -2.670 19.253 -6.660 1.00 1.45 C ATOM 770 CD ARG A 51 -2.415 20.038 -7.955 1.00 2.35 C ATOM 771 NE ARG A 51 -2.064 21.451 -7.723 1.00 3.35 N ATOM 772 CZ ARG A 51 -2.894 22.487 -7.773 1.00 4.06 C ATOM 773 NH1 ARG A 51 -4.162 22.365 -8.100 1.00 3.88 N ATOM 774 NH2 ARG A 51 -2.483 23.698 -7.466 1.00 5.65 N ATOM 0 H ARG A 51 -4.530 19.306 -3.015 1.00 0.77 H new ATOM 0 HA ARG A 51 -2.573 20.783 -4.651 1.00 0.75 H new ATOM 0 HB2 ARG A 51 -4.505 18.756 -5.614 1.00 0.92 H new ATOM 0 HB3 ARG A 51 -4.566 20.290 -6.461 1.00 0.92 H new ATOM 0 HG2 ARG A 51 -1.798 19.365 -6.016 1.00 1.45 H new ATOM 0 HG3 ARG A 51 -2.747 18.195 -6.911 1.00 1.45 H new ATOM 0 HD2 ARG A 51 -1.609 19.557 -8.510 1.00 2.35 H new ATOM 0 HD3 ARG A 51 -3.306 19.991 -8.581 1.00 2.35 H new ATOM 0 HE ARG A 51 -1.089 21.653 -7.503 1.00 3.35 H new ATOM 0 HH11 ARG A 51 -4.544 21.447 -8.328 1.00 3.88 H new ATOM 0 HH12 ARG A 51 -4.764 23.188 -8.126 1.00 3.88 H new ATOM 0 HH21 ARG A 51 -1.515 23.852 -7.185 1.00 5.65 H new ATOM 0 HH22 ARG A 51 -3.133 24.483 -7.509 1.00 5.65 H new ATOM 788 N GLU A 52 -4.077 22.789 -4.649 1.00 0.82 N ATOM 789 CA GLU A 52 -4.790 24.042 -4.453 1.00 0.95 C ATOM 790 C GLU A 52 -5.664 24.428 -5.658 1.00 1.10 C ATOM 791 O GLU A 52 -5.154 24.541 -6.775 1.00 1.42 O ATOM 792 CB GLU A 52 -3.732 25.130 -4.203 1.00 1.22 C ATOM 793 CG GLU A 52 -4.126 26.028 -3.043 1.00 1.88 C ATOM 794 CD GLU A 52 -4.022 25.356 -1.673 1.00 2.32 C ATOM 795 OE1 GLU A 52 -3.425 24.263 -1.545 1.00 3.43 O ATOM 796 OE2 GLU A 52 -4.544 25.933 -0.698 1.00 2.58 O ATOM 0 H GLU A 52 -3.178 22.918 -5.112 1.00 0.82 H new ATOM 0 HA GLU A 52 -5.471 23.933 -3.609 1.00 0.95 H new ATOM 0 HB2 GLU A 52 -2.770 24.663 -3.993 1.00 1.22 H new ATOM 0 HB3 GLU A 52 -3.605 25.731 -5.104 1.00 1.22 H new ATOM 0 HG2 GLU A 52 -3.491 26.914 -3.051 1.00 1.88 H new ATOM 0 HG3 GLU A 52 -5.151 26.369 -3.192 1.00 1.88 H new ATOM 803 N VAL A 53 -6.952 24.688 -5.434 1.00 1.11 N ATOM 804 CA VAL A 53 -7.891 25.286 -6.402 1.00 1.39 C ATOM 805 C VAL A 53 -8.718 26.348 -5.674 1.00 1.61 C ATOM 806 O VAL A 53 -8.986 26.179 -4.494 1.00 1.92 O ATOM 807 CB VAL A 53 -8.819 24.234 -7.056 1.00 1.44 C ATOM 808 CG1 VAL A 53 -8.010 23.283 -7.957 1.00 2.08 C ATOM 809 CG2 VAL A 53 -9.636 23.408 -6.044 1.00 2.49 C ATOM 0 H VAL A 53 -7.395 24.482 -4.538 1.00 1.11 H new ATOM 0 HA VAL A 53 -7.316 25.733 -7.213 1.00 1.39 H new ATOM 0 HB VAL A 53 -9.534 24.804 -7.650 1.00 1.44 H new ATOM 0 HG11 VAL A 53 -8.680 22.551 -8.408 1.00 2.08 H new ATOM 0 HG12 VAL A 53 -7.518 23.857 -8.743 1.00 2.08 H new ATOM 0 HG13 VAL A 53 -7.258 22.767 -7.359 1.00 2.08 H new ATOM 0 HG21 VAL A 53 -10.261 22.693 -6.579 1.00 2.49 H new ATOM 0 HG22 VAL A 53 -8.958 22.872 -5.380 1.00 2.49 H new ATOM 0 HG23 VAL A 53 -10.268 24.074 -5.456 1.00 2.49 H new ATOM 819 N GLU A 54 -9.036 27.472 -6.328 1.00 1.81 N ATOM 820 CA GLU A 54 -9.746 28.643 -5.756 1.00 2.11 C ATOM 821 C GLU A 54 -8.931 29.468 -4.735 1.00 2.03 C ATOM 822 O GLU A 54 -9.410 30.470 -4.213 1.00 2.31 O ATOM 823 CB GLU A 54 -11.076 28.263 -5.065 1.00 2.56 C ATOM 824 CG GLU A 54 -12.062 27.331 -5.783 1.00 2.85 C ATOM 825 CD GLU A 54 -13.066 26.782 -4.763 1.00 3.45 C ATOM 826 OE1 GLU A 54 -13.863 27.563 -4.194 1.00 3.99 O ATOM 827 OE2 GLU A 54 -12.966 25.593 -4.388 1.00 4.13 O ATOM 0 H GLU A 54 -8.800 27.605 -7.311 1.00 1.81 H new ATOM 0 HA GLU A 54 -9.924 29.256 -6.640 1.00 2.11 H new ATOM 0 HB2 GLU A 54 -10.827 27.801 -4.109 1.00 2.56 H new ATOM 0 HB3 GLU A 54 -11.605 29.190 -4.843 1.00 2.56 H new ATOM 0 HG2 GLU A 54 -12.585 27.872 -6.572 1.00 2.85 H new ATOM 0 HG3 GLU A 54 -11.525 26.512 -6.261 1.00 2.85 H new ATOM 834 N GLY A 55 -7.718 29.017 -4.425 1.00 1.78 N ATOM 835 CA GLY A 55 -6.953 29.414 -3.226 1.00 1.86 C ATOM 836 C GLY A 55 -7.239 28.543 -1.991 1.00 1.89 C ATOM 837 O GLY A 55 -7.030 28.981 -0.863 1.00 2.09 O ATOM 0 H GLY A 55 -7.219 28.347 -5.011 1.00 1.78 H new ATOM 0 HA2 GLY A 55 -5.888 29.367 -3.454 1.00 1.86 H new ATOM 0 HA3 GLY A 55 -7.182 30.453 -2.988 1.00 1.86 H new ATOM 841 N LYS A 56 -7.723 27.313 -2.198 1.00 1.77 N ATOM 842 CA LYS A 56 -8.124 26.330 -1.195 1.00 1.83 C ATOM 843 C LYS A 56 -7.542 24.954 -1.561 1.00 1.42 C ATOM 844 O LYS A 56 -7.652 24.469 -2.693 1.00 1.15 O ATOM 845 CB LYS A 56 -9.668 26.227 -1.155 1.00 2.03 C ATOM 846 CG LYS A 56 -10.401 27.477 -0.630 1.00 2.71 C ATOM 847 CD LYS A 56 -11.843 27.573 -1.158 1.00 2.72 C ATOM 848 CE LYS A 56 -12.734 26.363 -0.830 1.00 3.72 C ATOM 849 NZ LYS A 56 -13.768 26.164 -1.876 1.00 3.73 N ATOM 0 H LYS A 56 -7.853 26.956 -3.144 1.00 1.77 H new ATOM 0 HA LYS A 56 -7.750 26.642 -0.220 1.00 1.83 H new ATOM 0 HB2 LYS A 56 -10.027 26.012 -2.162 1.00 2.03 H new ATOM 0 HB3 LYS A 56 -9.942 25.377 -0.531 1.00 2.03 H new ATOM 0 HG2 LYS A 56 -10.416 27.456 0.460 1.00 2.71 H new ATOM 0 HG3 LYS A 56 -9.849 28.370 -0.924 1.00 2.71 H new ATOM 0 HD2 LYS A 56 -12.306 28.469 -0.746 1.00 2.72 H new ATOM 0 HD3 LYS A 56 -11.811 27.699 -2.240 1.00 2.72 H new ATOM 0 HE2 LYS A 56 -12.119 25.467 -0.746 1.00 3.72 H new ATOM 0 HE3 LYS A 56 -13.214 26.512 0.137 1.00 3.72 H new ATOM 0 HZ1 LYS A 56 -14.603 25.707 -1.456 1.00 3.73 H new ATOM 0 HZ2 LYS A 56 -14.041 27.085 -2.274 1.00 3.73 H new ATOM 0 HZ3 LYS A 56 -13.386 25.560 -2.631 1.00 3.73 H new ATOM 863 N LYS A 57 -6.935 24.280 -0.595 1.00 1.50 N ATOM 864 CA LYS A 57 -6.508 22.891 -0.698 1.00 1.26 C ATOM 865 C LYS A 57 -7.696 21.922 -0.792 1.00 0.96 C ATOM 866 O LYS A 57 -8.500 21.822 0.129 1.00 1.09 O ATOM 867 CB LYS A 57 -5.560 22.500 0.451 1.00 1.79 C ATOM 868 CG LYS A 57 -5.910 22.960 1.879 1.00 2.27 C ATOM 869 CD LYS A 57 -5.313 24.310 2.323 1.00 2.39 C ATOM 870 CE LYS A 57 -3.776 24.325 2.442 1.00 3.94 C ATOM 871 NZ LYS A 57 -3.105 24.708 1.176 1.00 4.75 N ATOM 0 H LYS A 57 -6.719 24.697 0.310 1.00 1.50 H new ATOM 0 HA LYS A 57 -5.951 22.806 -1.631 1.00 1.26 H new ATOM 0 HB2 LYS A 57 -5.483 21.413 0.462 1.00 1.79 H new ATOM 0 HB3 LYS A 57 -4.570 22.887 0.211 1.00 1.79 H new ATOM 0 HG2 LYS A 57 -6.995 23.021 1.963 1.00 2.27 H new ATOM 0 HG3 LYS A 57 -5.578 22.192 2.578 1.00 2.27 H new ATOM 0 HD2 LYS A 57 -5.617 25.078 1.611 1.00 2.39 H new ATOM 0 HD3 LYS A 57 -5.741 24.582 3.288 1.00 2.39 H new ATOM 0 HE2 LYS A 57 -3.484 25.022 3.228 1.00 3.94 H new ATOM 0 HE3 LYS A 57 -3.430 23.337 2.747 1.00 3.94 H new ATOM 0 HZ1 LYS A 57 -2.162 25.093 1.386 1.00 4.75 H new ATOM 0 HZ2 LYS A 57 -3.009 23.871 0.567 1.00 4.75 H new ATOM 0 HZ3 LYS A 57 -3.672 25.429 0.687 1.00 4.75 H new ATOM 885 N VAL A 58 -7.733 21.157 -1.878 1.00 0.95 N ATOM 886 CA VAL A 58 -8.343 19.832 -1.941 1.00 0.88 C ATOM 887 C VAL A 58 -7.243 18.774 -1.779 1.00 0.73 C ATOM 888 O VAL A 58 -6.048 19.094 -1.815 1.00 0.81 O ATOM 889 CB VAL A 58 -9.112 19.630 -3.268 1.00 1.00 C ATOM 890 CG1 VAL A 58 -10.345 20.545 -3.331 1.00 1.95 C ATOM 891 CG2 VAL A 58 -8.256 19.820 -4.531 1.00 2.25 C ATOM 0 H VAL A 58 -7.327 21.450 -2.766 1.00 0.95 H new ATOM 0 HA VAL A 58 -9.069 19.732 -1.134 1.00 0.88 H new ATOM 0 HB VAL A 58 -9.421 18.585 -3.262 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -10.869 20.385 -4.273 1.00 1.95 H new ATOM 0 HG12 VAL A 58 -11.012 20.314 -2.501 1.00 1.95 H new ATOM 0 HG13 VAL A 58 -10.029 21.586 -3.264 1.00 1.95 H new ATOM 0 HG21 VAL A 58 -8.872 19.660 -5.416 1.00 2.25 H new ATOM 0 HG22 VAL A 58 -7.852 20.832 -4.548 1.00 2.25 H new ATOM 0 HG23 VAL A 58 -7.436 19.102 -4.526 1.00 2.25 H new ATOM 901 N MET A 59 -7.634 17.511 -1.634 1.00 0.68 N ATOM 902 CA MET A 59 -6.734 16.362 -1.789 1.00 0.65 C ATOM 903 C MET A 59 -7.084 15.553 -3.039 1.00 0.66 C ATOM 904 O MET A 59 -8.214 15.602 -3.522 1.00 0.87 O ATOM 905 CB MET A 59 -6.740 15.468 -0.541 1.00 0.74 C ATOM 906 CG MET A 59 -6.048 16.164 0.635 1.00 0.80 C ATOM 907 SD MET A 59 -5.666 15.076 2.035 1.00 2.07 S ATOM 908 CE MET A 59 -7.333 14.559 2.519 1.00 3.46 C ATOM 0 H MET A 59 -8.593 17.249 -1.403 1.00 0.68 H new ATOM 0 HA MET A 59 -5.724 16.754 -1.910 1.00 0.65 H new ATOM 0 HB2 MET A 59 -7.767 15.222 -0.270 1.00 0.74 H new ATOM 0 HB3 MET A 59 -6.235 14.528 -0.760 1.00 0.74 H new ATOM 0 HG2 MET A 59 -5.122 16.616 0.279 1.00 0.80 H new ATOM 0 HG3 MET A 59 -6.685 16.976 0.986 1.00 0.80 H new ATOM 0 HE1 MET A 59 -7.278 13.955 3.425 1.00 3.46 H new ATOM 0 HE2 MET A 59 -7.947 15.440 2.707 1.00 3.46 H new ATOM 0 HE3 MET A 59 -7.779 13.971 1.717 1.00 3.46 H new ATOM 918 N GLY A 60 -6.100 14.815 -3.548 1.00 0.56 N ATOM 919 CA GLY A 60 -6.237 13.910 -4.687 1.00 0.58 C ATOM 920 C GLY A 60 -5.397 12.648 -4.527 1.00 0.49 C ATOM 921 O GLY A 60 -4.651 12.494 -3.564 1.00 0.49 O ATOM 0 H GLY A 60 -5.154 14.831 -3.166 1.00 0.56 H new ATOM 0 HA2 GLY A 60 -7.285 13.634 -4.805 1.00 0.58 H new ATOM 0 HA3 GLY A 60 -5.940 14.429 -5.598 1.00 0.58 H new ATOM 925 N MET A 61 -5.539 11.741 -5.493 1.00 0.51 N ATOM 926 CA MET A 61 -4.874 10.439 -5.550 1.00 0.47 C ATOM 927 C MET A 61 -4.695 10.015 -7.004 1.00 0.53 C ATOM 928 O MET A 61 -5.552 10.291 -7.845 1.00 0.63 O ATOM 929 CB MET A 61 -5.722 9.445 -4.740 1.00 0.51 C ATOM 930 CG MET A 61 -5.412 7.955 -4.946 1.00 0.50 C ATOM 931 SD MET A 61 -6.682 6.796 -4.330 1.00 0.52 S ATOM 932 CE MET A 61 -7.233 7.649 -2.833 1.00 0.64 C ATOM 0 H MET A 61 -6.149 11.901 -6.295 1.00 0.51 H new ATOM 0 HA MET A 61 -3.875 10.478 -5.115 1.00 0.47 H new ATOM 0 HB2 MET A 61 -5.601 9.676 -3.682 1.00 0.51 H new ATOM 0 HB3 MET A 61 -6.771 9.613 -4.985 1.00 0.51 H new ATOM 0 HG2 MET A 61 -5.267 7.776 -6.011 1.00 0.50 H new ATOM 0 HG3 MET A 61 -4.467 7.727 -4.453 1.00 0.50 H new ATOM 0 HE1 MET A 61 -7.817 6.964 -2.218 1.00 0.64 H new ATOM 0 HE2 MET A 61 -6.365 7.992 -2.269 1.00 0.64 H new ATOM 0 HE3 MET A 61 -7.849 8.505 -3.108 1.00 0.64 H new ATOM 942 N ARG A 62 -3.571 9.363 -7.297 1.00 0.52 N ATOM 943 CA ARG A 62 -3.128 8.987 -8.643 1.00 0.56 C ATOM 944 C ARG A 62 -2.313 7.684 -8.573 1.00 0.54 C ATOM 945 O ARG A 62 -1.722 7.407 -7.526 1.00 0.53 O ATOM 946 CB ARG A 62 -2.224 10.103 -9.185 1.00 0.63 C ATOM 947 CG ARG A 62 -2.915 11.408 -9.595 1.00 1.36 C ATOM 948 CD ARG A 62 -1.879 12.454 -10.046 1.00 1.71 C ATOM 949 NE ARG A 62 -0.874 12.755 -9.006 1.00 3.00 N ATOM 950 CZ ARG A 62 0.317 13.318 -9.151 1.00 4.25 C ATOM 951 NH1 ARG A 62 0.758 13.727 -10.322 1.00 4.39 N ATOM 952 NH2 ARG A 62 1.094 13.462 -8.104 1.00 5.59 N ATOM 0 H ARG A 62 -2.915 9.069 -6.574 1.00 0.52 H new ATOM 0 HA ARG A 62 -3.993 8.842 -9.290 1.00 0.56 H new ATOM 0 HB2 ARG A 62 -1.478 10.337 -8.425 1.00 0.63 H new ATOM 0 HB3 ARG A 62 -1.686 9.716 -10.051 1.00 0.63 H new ATOM 0 HG2 ARG A 62 -3.619 11.214 -10.404 1.00 1.36 H new ATOM 0 HG3 ARG A 62 -3.492 11.798 -8.757 1.00 1.36 H new ATOM 0 HD2 ARG A 62 -1.371 12.093 -10.940 1.00 1.71 H new ATOM 0 HD3 ARG A 62 -2.395 13.373 -10.322 1.00 1.71 H new ATOM 0 HE ARG A 62 -1.130 12.496 -8.053 1.00 3.00 H new ATOM 0 HH11 ARG A 62 0.178 13.615 -11.153 1.00 4.39 H new ATOM 0 HH12 ARG A 62 1.680 14.156 -10.398 1.00 4.39 H new ATOM 0 HH21 ARG A 62 0.780 13.142 -7.188 1.00 5.59 H new ATOM 0 HH22 ARG A 62 2.012 13.894 -8.206 1.00 5.59 H new ATOM 966 N PRO A 63 -2.249 6.878 -9.648 1.00 0.55 N ATOM 967 CA PRO A 63 -1.371 5.719 -9.703 1.00 0.54 C ATOM 968 C PRO A 63 0.084 6.132 -9.953 1.00 0.55 C ATOM 969 O PRO A 63 0.342 7.232 -10.436 1.00 0.53 O ATOM 970 CB PRO A 63 -1.931 4.847 -10.819 1.00 0.58 C ATOM 971 CG PRO A 63 -2.474 5.884 -11.805 1.00 0.60 C ATOM 972 CD PRO A 63 -3.005 6.991 -10.888 1.00 0.59 C ATOM 0 HA PRO A 63 -1.347 5.176 -8.758 1.00 0.54 H new ATOM 0 HB2 PRO A 63 -1.161 4.221 -11.271 1.00 0.58 H new ATOM 0 HB3 PRO A 63 -2.714 4.180 -10.459 1.00 0.58 H new ATOM 0 HG2 PRO A 63 -1.695 6.252 -12.472 1.00 0.60 H new ATOM 0 HG3 PRO A 63 -3.262 5.469 -12.434 1.00 0.60 H new ATOM 0 HD2 PRO A 63 -2.868 7.973 -11.341 1.00 0.59 H new ATOM 0 HD3 PRO A 63 -4.073 6.870 -10.707 1.00 0.59 H new ATOM 980 N VAL A 64 1.022 5.233 -9.641 1.00 0.63 N ATOM 981 CA VAL A 64 2.480 5.422 -9.788 1.00 0.66 C ATOM 982 C VAL A 64 3.161 4.120 -10.252 1.00 0.67 C ATOM 983 O VAL A 64 2.599 3.042 -10.043 1.00 0.68 O ATOM 984 CB VAL A 64 3.141 5.930 -8.480 1.00 0.67 C ATOM 985 CG1 VAL A 64 3.075 7.460 -8.386 1.00 0.78 C ATOM 986 CG2 VAL A 64 2.541 5.296 -7.220 1.00 0.79 C ATOM 0 H VAL A 64 0.784 4.316 -9.264 1.00 0.63 H new ATOM 0 HA VAL A 64 2.621 6.188 -10.550 1.00 0.66 H new ATOM 0 HB VAL A 64 4.185 5.619 -8.529 1.00 0.67 H new ATOM 0 HG11 VAL A 64 3.546 7.788 -7.459 1.00 0.78 H new ATOM 0 HG12 VAL A 64 3.599 7.900 -9.235 1.00 0.78 H new ATOM 0 HG13 VAL A 64 2.033 7.781 -8.397 1.00 0.78 H new ATOM 0 HG21 VAL A 64 3.045 5.692 -6.338 1.00 0.79 H new ATOM 0 HG22 VAL A 64 1.478 5.530 -7.166 1.00 0.79 H new ATOM 0 HG23 VAL A 64 2.673 4.215 -7.259 1.00 0.79 H new ATOM 996 N PRO A 65 4.345 4.192 -10.902 1.00 0.67 N ATOM 997 CA PRO A 65 4.972 3.052 -11.570 1.00 0.67 C ATOM 998 C PRO A 65 5.761 2.150 -10.619 1.00 0.64 C ATOM 999 O PRO A 65 5.889 0.961 -10.903 1.00 0.64 O ATOM 1000 CB PRO A 65 5.871 3.676 -12.641 1.00 0.72 C ATOM 1001 CG PRO A 65 6.329 4.982 -11.995 1.00 0.72 C ATOM 1002 CD PRO A 65 5.110 5.406 -11.180 1.00 0.69 C ATOM 0 HA PRO A 65 4.220 2.386 -11.993 1.00 0.67 H new ATOM 0 HB2 PRO A 65 6.714 3.030 -12.885 1.00 0.72 H new ATOM 0 HB3 PRO A 65 5.327 3.855 -13.569 1.00 0.72 H new ATOM 0 HG2 PRO A 65 7.205 4.835 -11.364 1.00 0.72 H new ATOM 0 HG3 PRO A 65 6.596 5.730 -12.742 1.00 0.72 H new ATOM 0 HD2 PRO A 65 5.415 5.892 -10.253 1.00 0.69 H new ATOM 0 HD3 PRO A 65 4.506 6.125 -11.733 1.00 0.69 H new ATOM 1010 N PHE A 66 6.286 2.695 -9.515 1.00 0.62 N ATOM 1011 CA PHE A 66 7.125 1.987 -8.538 1.00 0.66 C ATOM 1012 C PHE A 66 7.450 2.865 -7.317 1.00 0.66 C ATOM 1013 O PHE A 66 7.304 4.087 -7.364 1.00 0.63 O ATOM 1014 CB PHE A 66 8.421 1.469 -9.194 1.00 0.72 C ATOM 1015 CG PHE A 66 9.367 2.545 -9.651 1.00 0.69 C ATOM 1016 CD1 PHE A 66 10.312 3.058 -8.750 1.00 1.47 C ATOM 1017 CD2 PHE A 66 9.285 3.042 -10.959 1.00 2.17 C ATOM 1018 CE1 PHE A 66 11.165 4.099 -9.135 1.00 1.49 C ATOM 1019 CE2 PHE A 66 10.156 4.073 -11.361 1.00 2.16 C ATOM 1020 CZ PHE A 66 11.092 4.604 -10.447 1.00 0.68 C ATOM 0 H PHE A 66 6.134 3.673 -9.268 1.00 0.62 H new ATOM 0 HA PHE A 66 6.551 1.131 -8.184 1.00 0.66 H new ATOM 0 HB2 PHE A 66 8.940 0.826 -8.483 1.00 0.72 H new ATOM 0 HB3 PHE A 66 8.156 0.849 -10.051 1.00 0.72 H new ATOM 0 HD1 PHE A 66 10.382 2.647 -7.754 1.00 1.47 H new ATOM 0 HD2 PHE A 66 8.561 2.638 -11.652 1.00 2.17 H new ATOM 0 HE1 PHE A 66 11.873 4.511 -8.431 1.00 1.49 H new ATOM 0 HE2 PHE A 66 10.108 4.458 -12.369 1.00 2.16 H new ATOM 0 HZ PHE A 66 11.754 5.400 -10.755 1.00 0.68 H new ATOM 1030 N LEU A 67 7.942 2.232 -6.248 1.00 0.71 N ATOM 1031 CA LEU A 67 8.664 2.845 -5.126 1.00 0.77 C ATOM 1032 C LEU A 67 10.108 2.335 -5.100 1.00 0.85 C ATOM 1033 O LEU A 67 10.389 1.241 -5.585 1.00 0.89 O ATOM 1034 CB LEU A 67 8.022 2.470 -3.775 1.00 0.81 C ATOM 1035 CG LEU A 67 6.514 2.716 -3.608 1.00 0.74 C ATOM 1036 CD1 LEU A 67 6.136 2.525 -2.136 1.00 0.79 C ATOM 1037 CD2 LEU A 67 6.075 4.118 -4.026 1.00 0.72 C ATOM 0 H LEU A 67 7.843 1.223 -6.135 1.00 0.71 H new ATOM 0 HA LEU A 67 8.626 3.925 -5.266 1.00 0.77 H new ATOM 0 HB2 LEU A 67 8.211 1.412 -3.596 1.00 0.81 H new ATOM 0 HB3 LEU A 67 8.541 3.023 -2.992 1.00 0.81 H new ATOM 0 HG LEU A 67 6.010 2.002 -4.260 1.00 0.74 H new ATOM 0 HD11 LEU A 67 5.067 2.698 -2.009 1.00 0.79 H new ATOM 0 HD12 LEU A 67 6.378 1.508 -1.827 1.00 0.79 H new ATOM 0 HD13 LEU A 67 6.693 3.233 -1.522 1.00 0.79 H new ATOM 0 HD21 LEU A 67 5.000 4.221 -3.881 1.00 0.72 H new ATOM 0 HD22 LEU A 67 6.595 4.858 -3.418 1.00 0.72 H new ATOM 0 HD23 LEU A 67 6.317 4.277 -5.077 1.00 0.72 H new ATOM 1049 N GLU A 68 11.016 3.071 -4.463 1.00 0.89 N ATOM 1050 CA GLU A 68 12.408 2.670 -4.282 1.00 1.00 C ATOM 1051 C GLU A 68 12.925 3.064 -2.900 1.00 1.01 C ATOM 1052 O GLU A 68 12.489 4.070 -2.339 1.00 1.15 O ATOM 1053 CB GLU A 68 13.251 3.263 -5.417 1.00 1.57 C ATOM 1054 CG GLU A 68 14.769 3.116 -5.215 1.00 1.50 C ATOM 1055 CD GLU A 68 15.530 3.161 -6.547 1.00 1.41 C ATOM 1056 OE1 GLU A 68 14.943 3.579 -7.571 1.00 2.26 O ATOM 1057 OE2 GLU A 68 16.666 2.648 -6.597 1.00 2.09 O ATOM 0 H GLU A 68 10.800 3.979 -4.051 1.00 0.89 H new ATOM 0 HA GLU A 68 12.485 1.584 -4.330 1.00 1.00 H new ATOM 0 HB2 GLU A 68 12.971 2.780 -6.353 1.00 1.57 H new ATOM 0 HB3 GLU A 68 13.010 4.321 -5.520 1.00 1.57 H new ATOM 0 HG2 GLU A 68 15.128 3.914 -4.565 1.00 1.50 H new ATOM 0 HG3 GLU A 68 14.978 2.174 -4.709 1.00 1.50 H new ATOM 1064 N VAL A 69 13.845 2.245 -2.368 1.00 0.99 N ATOM 1065 CA VAL A 69 14.464 2.447 -1.055 1.00 1.09 C ATOM 1066 C VAL A 69 15.938 1.983 -1.020 1.00 1.12 C ATOM 1067 O VAL A 69 16.225 0.857 -1.438 1.00 1.01 O ATOM 1068 CB VAL A 69 13.654 1.714 0.062 1.00 1.00 C ATOM 1069 CG1 VAL A 69 14.220 1.940 1.475 1.00 1.17 C ATOM 1070 CG2 VAL A 69 12.168 2.116 0.100 1.00 1.06 C ATOM 0 H VAL A 69 14.183 1.411 -2.848 1.00 0.99 H new ATOM 0 HA VAL A 69 14.449 3.521 -0.868 1.00 1.09 H new ATOM 0 HB VAL A 69 13.748 0.663 -0.211 1.00 1.00 H new ATOM 0 HG11 VAL A 69 13.610 1.403 2.201 1.00 1.17 H new ATOM 0 HG12 VAL A 69 15.245 1.572 1.519 1.00 1.17 H new ATOM 0 HG13 VAL A 69 14.206 3.005 1.706 1.00 1.17 H new ATOM 0 HG21 VAL A 69 11.664 1.571 0.898 1.00 1.06 H new ATOM 0 HG22 VAL A 69 12.085 3.187 0.284 1.00 1.06 H new ATOM 0 HG23 VAL A 69 11.701 1.875 -0.855 1.00 1.06 H new ATOM 1080 N PRO A 70 16.876 2.804 -0.493 1.00 1.30 N ATOM 1081 CA PRO A 70 18.299 2.475 -0.378 1.00 1.36 C ATOM 1082 C PRO A 70 18.587 1.442 0.732 1.00 1.24 C ATOM 1083 O PRO A 70 17.749 1.251 1.616 1.00 1.21 O ATOM 1084 CB PRO A 70 18.995 3.813 -0.090 1.00 1.62 C ATOM 1085 CG PRO A 70 17.938 4.594 0.681 1.00 1.67 C ATOM 1086 CD PRO A 70 16.647 4.162 -0.007 1.00 1.51 C ATOM 0 HA PRO A 70 18.664 2.005 -1.291 1.00 1.36 H new ATOM 0 HB2 PRO A 70 19.903 3.677 0.497 1.00 1.62 H new ATOM 0 HB3 PRO A 70 19.283 4.324 -1.009 1.00 1.62 H new ATOM 0 HG2 PRO A 70 17.938 4.341 1.741 1.00 1.67 H new ATOM 0 HG3 PRO A 70 18.096 5.670 0.610 1.00 1.67 H new ATOM 0 HD2 PRO A 70 15.808 4.190 0.688 1.00 1.51 H new ATOM 0 HD3 PRO A 70 16.402 4.833 -0.830 1.00 1.51 H new ATOM 1094 N PRO A 71 19.759 0.775 0.710 1.00 1.24 N ATOM 1095 CA PRO A 71 20.107 -0.301 1.638 1.00 1.19 C ATOM 1096 C PRO A 71 20.186 0.154 3.093 1.00 1.29 C ATOM 1097 O PRO A 71 20.658 1.249 3.389 1.00 1.47 O ATOM 1098 CB PRO A 71 21.431 -0.872 1.146 1.00 1.28 C ATOM 1099 CG PRO A 71 22.045 0.245 0.309 1.00 1.42 C ATOM 1100 CD PRO A 71 20.822 0.944 -0.273 1.00 1.36 C ATOM 0 HA PRO A 71 19.323 -1.058 1.643 1.00 1.19 H new ATOM 0 HB2 PRO A 71 22.079 -1.145 1.979 1.00 1.28 H new ATOM 0 HB3 PRO A 71 21.278 -1.773 0.553 1.00 1.28 H new ATOM 0 HG2 PRO A 71 22.646 0.921 0.916 1.00 1.42 H new ATOM 0 HG3 PRO A 71 22.697 -0.147 -0.472 1.00 1.42 H new ATOM 0 HD2 PRO A 71 21.024 2.000 -0.452 1.00 1.36 H new ATOM 0 HD3 PRO A 71 20.541 0.506 -1.231 1.00 1.36 H new ATOM 1108 N LYS A 72 19.698 -0.713 3.991 1.00 1.22 N ATOM 1109 CA LYS A 72 19.610 -0.527 5.453 1.00 1.33 C ATOM 1110 C LYS A 72 18.608 0.559 5.882 1.00 1.43 C ATOM 1111 O LYS A 72 18.408 0.783 7.074 1.00 1.57 O ATOM 1112 CB LYS A 72 21.004 -0.302 6.069 1.00 1.49 C ATOM 1113 CG LYS A 72 22.078 -1.276 5.568 1.00 1.64 C ATOM 1114 CD LYS A 72 21.762 -2.758 5.829 1.00 1.37 C ATOM 1115 CE LYS A 72 22.816 -3.616 5.125 1.00 1.71 C ATOM 1116 NZ LYS A 72 22.498 -5.063 5.172 1.00 2.03 N ATOM 0 H LYS A 72 19.331 -1.620 3.702 1.00 1.22 H new ATOM 0 HA LYS A 72 19.208 -1.458 5.853 1.00 1.33 H new ATOM 0 HB2 LYS A 72 21.324 0.717 5.852 1.00 1.49 H new ATOM 0 HB3 LYS A 72 20.928 -0.389 7.153 1.00 1.49 H new ATOM 0 HG2 LYS A 72 22.213 -1.129 4.496 1.00 1.64 H new ATOM 0 HG3 LYS A 72 23.026 -1.030 6.046 1.00 1.64 H new ATOM 0 HD2 LYS A 72 21.763 -2.962 6.900 1.00 1.37 H new ATOM 0 HD3 LYS A 72 20.767 -3.003 5.459 1.00 1.37 H new ATOM 0 HE2 LYS A 72 22.901 -3.300 4.085 1.00 1.71 H new ATOM 0 HE3 LYS A 72 23.787 -3.446 5.590 1.00 1.71 H new ATOM 0 HZ1 LYS A 72 23.219 -5.559 5.734 1.00 2.03 H new ATOM 0 HZ2 LYS A 72 21.564 -5.199 5.609 1.00 2.03 H new ATOM 0 HZ3 LYS A 72 22.487 -5.448 4.206 1.00 2.03 H new ATOM 1130 N GLY A 73 17.974 1.217 4.910 1.00 1.43 N ATOM 1131 CA GLY A 73 16.866 2.155 5.095 1.00 1.49 C ATOM 1132 C GLY A 73 15.516 1.438 5.171 1.00 1.44 C ATOM 1133 O GLY A 73 15.385 0.285 4.764 1.00 1.42 O ATOM 0 H GLY A 73 18.230 1.106 3.929 1.00 1.43 H new ATOM 0 HA2 GLY A 73 17.024 2.728 6.009 1.00 1.49 H new ATOM 0 HA3 GLY A 73 16.852 2.868 4.270 1.00 1.49 H new ATOM 1137 N ARG A 74 14.498 2.151 5.658 1.00 1.54 N ATOM 1138 CA ARG A 74 13.111 1.673 5.752 1.00 1.48 C ATOM 1139 C ARG A 74 12.132 2.848 5.652 1.00 1.54 C ATOM 1140 O ARG A 74 12.409 3.925 6.179 1.00 1.96 O ATOM 1141 CB ARG A 74 12.914 0.827 7.018 1.00 1.95 C ATOM 1142 CG ARG A 74 13.079 1.535 8.379 1.00 2.05 C ATOM 1143 CD ARG A 74 11.801 2.137 8.954 1.00 2.08 C ATOM 1144 NE ARG A 74 10.785 1.125 9.235 1.00 2.49 N ATOM 1145 CZ ARG A 74 9.547 1.328 9.648 1.00 3.15 C ATOM 1146 NH1 ARG A 74 9.089 2.517 9.981 1.00 3.59 N ATOM 1147 NH2 ARG A 74 8.744 0.301 9.683 1.00 4.25 N ATOM 0 H ARG A 74 14.615 3.102 6.008 1.00 1.54 H new ATOM 0 HA ARG A 74 12.897 1.017 4.908 1.00 1.48 H new ATOM 0 HB2 ARG A 74 11.914 0.395 6.982 1.00 1.95 H new ATOM 0 HB3 ARG A 74 13.620 -0.002 6.982 1.00 1.95 H new ATOM 0 HG2 ARG A 74 13.480 0.820 9.097 1.00 2.05 H new ATOM 0 HG3 ARG A 74 13.819 2.328 8.271 1.00 2.05 H new ATOM 0 HD2 ARG A 74 12.037 2.675 9.872 1.00 2.08 H new ATOM 0 HD3 ARG A 74 11.398 2.867 8.251 1.00 2.08 H new ATOM 0 HE ARG A 74 11.063 0.153 9.097 1.00 2.49 H new ATOM 0 HH11 ARG A 74 9.699 3.332 9.926 1.00 3.59 H new ATOM 0 HH12 ARG A 74 8.124 2.622 10.294 1.00 3.59 H new ATOM 0 HH21 ARG A 74 9.080 -0.619 9.397 1.00 4.25 H new ATOM 0 HH22 ARG A 74 7.780 0.418 9.996 1.00 4.25 H new ATOM 1161 N VAL A 75 11.020 2.674 4.939 1.00 1.61 N ATOM 1162 CA VAL A 75 10.104 3.739 4.474 1.00 2.17 C ATOM 1163 C VAL A 75 8.706 3.139 4.323 1.00 1.76 C ATOM 1164 O VAL A 75 8.586 1.974 3.969 1.00 1.79 O ATOM 1165 CB VAL A 75 10.540 4.351 3.112 1.00 3.06 C ATOM 1166 CG1 VAL A 75 9.621 5.519 2.696 1.00 3.75 C ATOM 1167 CG2 VAL A 75 11.988 4.875 3.111 1.00 3.54 C ATOM 0 H VAL A 75 10.710 1.746 4.651 1.00 1.61 H new ATOM 0 HA VAL A 75 10.121 4.542 5.211 1.00 2.17 H new ATOM 0 HB VAL A 75 10.464 3.527 2.403 1.00 3.06 H new ATOM 0 HG11 VAL A 75 9.955 5.922 1.740 1.00 3.75 H new ATOM 0 HG12 VAL A 75 8.597 5.159 2.600 1.00 3.75 H new ATOM 0 HG13 VAL A 75 9.661 6.301 3.454 1.00 3.75 H new ATOM 0 HG21 VAL A 75 12.225 5.288 2.130 1.00 3.54 H new ATOM 0 HG22 VAL A 75 12.094 5.653 3.867 1.00 3.54 H new ATOM 0 HG23 VAL A 75 12.672 4.056 3.335 1.00 3.54 H new ATOM 1177 N GLU A 76 7.640 3.892 4.610 1.00 1.61 N ATOM 1178 CA GLU A 76 6.299 3.312 4.720 1.00 1.20 C ATOM 1179 C GLU A 76 5.261 4.004 3.833 1.00 1.02 C ATOM 1180 O GLU A 76 5.277 5.228 3.634 1.00 1.15 O ATOM 1181 CB GLU A 76 5.856 3.283 6.188 1.00 1.26 C ATOM 1182 CG GLU A 76 6.945 2.649 7.059 1.00 1.92 C ATOM 1183 CD GLU A 76 6.466 2.385 8.471 1.00 2.80 C ATOM 1184 OE1 GLU A 76 6.518 3.333 9.281 1.00 3.04 O ATOM 1185 OE2 GLU A 76 6.239 1.199 8.781 1.00 4.33 O ATOM 0 H GLU A 76 7.679 4.899 4.769 1.00 1.61 H new ATOM 0 HA GLU A 76 6.363 2.290 4.347 1.00 1.20 H new ATOM 0 HB2 GLU A 76 5.649 4.296 6.533 1.00 1.26 H new ATOM 0 HB3 GLU A 76 4.929 2.718 6.284 1.00 1.26 H new ATOM 0 HG2 GLU A 76 7.270 1.712 6.606 1.00 1.92 H new ATOM 0 HG3 GLU A 76 7.813 3.307 7.089 1.00 1.92 H new ATOM 1192 N LEU A 77 4.338 3.187 3.330 1.00 0.83 N ATOM 1193 CA LEU A 77 3.131 3.538 2.605 1.00 0.68 C ATOM 1194 C LEU A 77 2.074 4.066 3.592 1.00 0.94 C ATOM 1195 O LEU A 77 1.115 3.387 3.959 1.00 1.98 O ATOM 1196 CB LEU A 77 2.661 2.311 1.790 1.00 0.65 C ATOM 1197 CG LEU A 77 3.600 1.895 0.633 1.00 0.76 C ATOM 1198 CD1 LEU A 77 4.610 0.817 1.058 1.00 0.74 C ATOM 1199 CD2 LEU A 77 2.770 1.354 -0.540 1.00 1.11 C ATOM 0 H LEU A 77 4.429 2.176 3.431 1.00 0.83 H new ATOM 0 HA LEU A 77 3.315 4.342 1.893 1.00 0.68 H new ATOM 0 HB2 LEU A 77 2.548 1.465 2.468 1.00 0.65 H new ATOM 0 HB3 LEU A 77 1.674 2.524 1.378 1.00 0.65 H new ATOM 0 HG LEU A 77 4.156 2.785 0.338 1.00 0.76 H new ATOM 0 HD11 LEU A 77 5.246 0.560 0.211 1.00 0.74 H new ATOM 0 HD12 LEU A 77 5.227 1.197 1.872 1.00 0.74 H new ATOM 0 HD13 LEU A 77 4.075 -0.071 1.393 1.00 0.74 H new ATOM 0 HD21 LEU A 77 3.435 1.062 -1.353 1.00 1.11 H new ATOM 0 HD22 LEU A 77 2.197 0.487 -0.211 1.00 1.11 H new ATOM 0 HD23 LEU A 77 2.087 2.128 -0.890 1.00 1.11 H new ATOM 1211 N LYS A 78 2.298 5.296 4.060 1.00 0.84 N ATOM 1212 CA LYS A 78 1.388 6.014 4.956 1.00 0.97 C ATOM 1213 C LYS A 78 0.018 6.316 4.303 1.00 0.87 C ATOM 1214 O LYS A 78 -0.020 6.631 3.111 1.00 0.82 O ATOM 1215 CB LYS A 78 2.064 7.294 5.500 1.00 1.35 C ATOM 1216 CG LYS A 78 2.382 8.415 4.478 1.00 1.24 C ATOM 1217 CD LYS A 78 3.673 8.249 3.654 1.00 2.00 C ATOM 1218 CE LYS A 78 4.938 8.244 4.531 1.00 2.12 C ATOM 1219 NZ LYS A 78 6.141 7.830 3.766 1.00 3.23 N ATOM 0 H LYS A 78 3.133 5.831 3.822 1.00 0.84 H new ATOM 0 HA LYS A 78 1.174 5.356 5.798 1.00 0.97 H new ATOM 0 HB2 LYS A 78 1.420 7.714 6.273 1.00 1.35 H new ATOM 0 HB3 LYS A 78 2.996 7.004 5.985 1.00 1.35 H new ATOM 0 HG2 LYS A 78 1.544 8.493 3.786 1.00 1.24 H new ATOM 0 HG3 LYS A 78 2.440 9.361 5.017 1.00 1.24 H new ATOM 0 HD2 LYS A 78 3.623 7.318 3.090 1.00 2.00 H new ATOM 0 HD3 LYS A 78 3.742 9.058 2.927 1.00 2.00 H new ATOM 0 HE2 LYS A 78 5.096 9.240 4.945 1.00 2.12 H new ATOM 0 HE3 LYS A 78 4.793 7.568 5.373 1.00 2.12 H new ATOM 0 HZ1 LYS A 78 6.988 7.953 4.357 1.00 3.23 H new ATOM 0 HZ2 LYS A 78 6.052 6.831 3.493 1.00 3.23 H new ATOM 0 HZ3 LYS A 78 6.228 8.416 2.911 1.00 3.23 H new ATOM 1233 N PRO A 79 -1.091 6.319 5.074 1.00 1.12 N ATOM 1234 CA PRO A 79 -2.417 6.630 4.547 1.00 1.34 C ATOM 1235 C PRO A 79 -2.518 8.033 3.949 1.00 1.35 C ATOM 1236 O PRO A 79 -3.134 8.188 2.898 1.00 2.33 O ATOM 1237 CB PRO A 79 -3.402 6.394 5.697 1.00 1.73 C ATOM 1238 CG PRO A 79 -2.538 6.512 6.952 1.00 1.69 C ATOM 1239 CD PRO A 79 -1.183 5.981 6.489 1.00 1.43 C ATOM 0 HA PRO A 79 -2.651 5.983 3.701 1.00 1.34 H new ATOM 0 HB2 PRO A 79 -4.204 7.132 5.694 1.00 1.73 H new ATOM 0 HB3 PRO A 79 -3.871 5.413 5.626 1.00 1.73 H new ATOM 0 HG2 PRO A 79 -2.470 7.543 7.299 1.00 1.69 H new ATOM 0 HG3 PRO A 79 -2.941 5.924 7.776 1.00 1.69 H new ATOM 0 HD2 PRO A 79 -0.370 6.436 7.054 1.00 1.43 H new ATOM 0 HD3 PRO A 79 -1.112 4.904 6.640 1.00 1.43 H new ATOM 1247 N GLY A 80 -1.846 9.027 4.544 1.00 0.96 N ATOM 1248 CA GLY A 80 -1.713 10.381 3.989 1.00 1.06 C ATOM 1249 C GLY A 80 -0.638 10.493 2.901 1.00 1.00 C ATOM 1250 O GLY A 80 0.177 11.411 2.947 1.00 1.68 O ATOM 0 H GLY A 80 -1.371 8.911 5.439 1.00 0.96 H new ATOM 0 HA2 GLY A 80 -2.672 10.691 3.574 1.00 1.06 H new ATOM 0 HA3 GLY A 80 -1.476 11.074 4.796 1.00 1.06 H new ATOM 1254 N GLY A 81 -0.594 9.532 1.971 1.00 0.75 N ATOM 1255 CA GLY A 81 0.316 9.502 0.822 1.00 0.67 C ATOM 1256 C GLY A 81 0.302 8.169 0.086 1.00 0.74 C ATOM 1257 O GLY A 81 -0.746 7.720 -0.376 1.00 1.59 O ATOM 0 H GLY A 81 -1.215 8.724 2.000 1.00 0.75 H new ATOM 0 HA2 GLY A 81 0.042 10.297 0.128 1.00 0.67 H new ATOM 0 HA3 GLY A 81 1.330 9.712 1.163 1.00 0.67 H new ATOM 1261 N TYR A 82 1.465 7.536 -0.066 1.00 0.71 N ATOM 1262 CA TYR A 82 1.597 6.345 -0.914 1.00 0.67 C ATOM 1263 C TYR A 82 0.965 5.111 -0.281 1.00 0.69 C ATOM 1264 O TYR A 82 1.074 4.892 0.920 1.00 0.84 O ATOM 1265 CB TYR A 82 3.062 6.031 -1.194 1.00 0.75 C ATOM 1266 CG TYR A 82 3.735 6.958 -2.176 1.00 0.84 C ATOM 1267 CD1 TYR A 82 4.300 8.180 -1.764 1.00 1.59 C ATOM 1268 CD2 TYR A 82 3.812 6.571 -3.523 1.00 2.15 C ATOM 1269 CE1 TYR A 82 4.971 8.993 -2.698 1.00 1.55 C ATOM 1270 CE2 TYR A 82 4.531 7.348 -4.444 1.00 2.38 C ATOM 1271 CZ TYR A 82 5.109 8.571 -4.039 1.00 1.26 C ATOM 1272 OH TYR A 82 5.794 9.331 -4.936 1.00 1.54 O ATOM 0 H TYR A 82 2.332 7.826 0.386 1.00 0.71 H new ATOM 0 HA TYR A 82 1.074 6.579 -1.841 1.00 0.67 H new ATOM 0 HB2 TYR A 82 3.611 6.062 -0.253 1.00 0.75 H new ATOM 0 HB3 TYR A 82 3.134 5.011 -1.572 1.00 0.75 H new ATOM 0 HD1 TYR A 82 4.219 8.493 -0.734 1.00 1.59 H new ATOM 0 HD2 TYR A 82 3.315 5.670 -3.852 1.00 2.15 H new ATOM 0 HE1 TYR A 82 5.382 9.943 -2.388 1.00 1.55 H new ATOM 0 HE2 TYR A 82 4.642 7.010 -5.464 1.00 2.38 H new ATOM 0 HH TYR A 82 5.790 8.888 -5.810 1.00 1.54 H new ATOM 1282 N HIS A 83 0.298 4.316 -1.107 1.00 0.60 N ATOM 1283 CA HIS A 83 -0.490 3.145 -0.706 1.00 0.59 C ATOM 1284 C HIS A 83 -0.762 2.209 -1.894 1.00 0.53 C ATOM 1285 O HIS A 83 -0.612 2.619 -3.045 1.00 0.69 O ATOM 1286 CB HIS A 83 -1.777 3.615 -0.026 1.00 0.64 C ATOM 1287 CG HIS A 83 -2.711 4.374 -0.917 1.00 0.57 C ATOM 1288 ND1 HIS A 83 -2.603 5.701 -1.251 1.00 0.55 N ATOM 1289 CD2 HIS A 83 -3.787 3.864 -1.590 1.00 0.53 C ATOM 1290 CE1 HIS A 83 -3.568 5.985 -2.139 1.00 0.47 C ATOM 1291 NE2 HIS A 83 -4.320 4.898 -2.354 1.00 0.49 N ATOM 0 H HIS A 83 0.287 4.470 -2.115 1.00 0.60 H new ATOM 0 HA HIS A 83 0.082 2.555 0.010 1.00 0.59 H new ATOM 0 HB2 HIS A 83 -2.301 2.746 0.371 1.00 0.64 H new ATOM 0 HB3 HIS A 83 -1.514 4.245 0.824 1.00 0.64 H new ATOM 0 HD1 HIS A 83 -1.911 6.356 -0.888 1.00 0.55 H new ATOM 0 HD2 HIS A 83 -4.154 2.850 -1.538 1.00 0.53 H new ATOM 0 HE1 HIS A 83 -3.716 6.946 -2.610 1.00 0.47 H new ATOM 1299 N PHE A 84 -1.231 0.988 -1.637 1.00 0.41 N ATOM 1300 CA PHE A 84 -1.778 0.131 -2.694 1.00 0.42 C ATOM 1301 C PHE A 84 -3.304 0.282 -2.759 1.00 0.42 C ATOM 1302 O PHE A 84 -3.949 0.450 -1.726 1.00 0.46 O ATOM 1303 CB PHE A 84 -1.443 -1.334 -2.418 1.00 0.47 C ATOM 1304 CG PHE A 84 0.031 -1.634 -2.516 1.00 0.50 C ATOM 1305 CD1 PHE A 84 0.626 -1.848 -3.770 1.00 1.39 C ATOM 1306 CD2 PHE A 84 0.808 -1.671 -1.347 1.00 1.62 C ATOM 1307 CE1 PHE A 84 2.001 -2.119 -3.848 1.00 1.38 C ATOM 1308 CE2 PHE A 84 2.182 -1.956 -1.421 1.00 1.72 C ATOM 1309 CZ PHE A 84 2.773 -2.176 -2.673 1.00 0.72 C ATOM 0 H PHE A 84 -1.244 0.568 -0.707 1.00 0.41 H new ATOM 0 HA PHE A 84 -1.334 0.436 -3.642 1.00 0.42 H new ATOM 0 HB2 PHE A 84 -1.796 -1.599 -1.421 1.00 0.47 H new ATOM 0 HB3 PHE A 84 -1.983 -1.963 -3.125 1.00 0.47 H new ATOM 0 HD1 PHE A 84 0.029 -1.804 -4.669 1.00 1.39 H new ATOM 0 HD2 PHE A 84 0.348 -1.480 -0.389 1.00 1.62 H new ATOM 0 HE1 PHE A 84 2.466 -2.284 -4.809 1.00 1.38 H new ATOM 0 HE2 PHE A 84 2.777 -2.005 -0.521 1.00 1.72 H new ATOM 0 HZ PHE A 84 3.829 -2.391 -2.736 1.00 0.72 H new ATOM 1319 N MET A 85 -3.896 0.144 -3.944 1.00 0.45 N ATOM 1320 CA MET A 85 -5.339 -0.039 -4.164 1.00 0.44 C ATOM 1321 C MET A 85 -5.614 -1.497 -4.536 1.00 0.41 C ATOM 1322 O MET A 85 -4.855 -2.080 -5.308 1.00 0.48 O ATOM 1323 CB MET A 85 -5.838 0.879 -5.282 1.00 0.51 C ATOM 1324 CG MET A 85 -7.225 1.450 -4.968 1.00 0.61 C ATOM 1325 SD MET A 85 -7.243 2.772 -3.714 1.00 0.53 S ATOM 1326 CE MET A 85 -9.035 2.888 -3.440 1.00 0.47 C ATOM 0 H MET A 85 -3.366 0.156 -4.816 1.00 0.45 H new ATOM 0 HA MET A 85 -5.868 0.216 -3.246 1.00 0.44 H new ATOM 0 HB2 MET A 85 -5.131 1.697 -5.425 1.00 0.51 H new ATOM 0 HB3 MET A 85 -5.876 0.324 -6.219 1.00 0.51 H new ATOM 0 HG2 MET A 85 -7.660 1.837 -5.889 1.00 0.61 H new ATOM 0 HG3 MET A 85 -7.868 0.638 -4.628 1.00 0.61 H new ATOM 0 HE1 MET A 85 -9.240 3.656 -2.694 1.00 0.47 H new ATOM 0 HE2 MET A 85 -9.530 3.150 -4.375 1.00 0.47 H new ATOM 0 HE3 MET A 85 -9.412 1.928 -3.086 1.00 0.47 H new ATOM 1336 N LEU A 86 -6.693 -2.075 -4.018 1.00 0.41 N ATOM 1337 CA LEU A 86 -7.126 -3.448 -4.275 1.00 0.43 C ATOM 1338 C LEU A 86 -8.449 -3.400 -5.047 1.00 0.47 C ATOM 1339 O LEU A 86 -9.355 -2.663 -4.652 1.00 0.57 O ATOM 1340 CB LEU A 86 -7.339 -4.157 -2.922 1.00 0.51 C ATOM 1341 CG LEU A 86 -6.075 -4.641 -2.177 1.00 0.56 C ATOM 1342 CD1 LEU A 86 -5.129 -3.517 -1.721 1.00 0.59 C ATOM 1343 CD2 LEU A 86 -6.529 -5.417 -0.933 1.00 0.72 C ATOM 0 H LEU A 86 -7.317 -1.580 -3.381 1.00 0.41 H new ATOM 0 HA LEU A 86 -6.379 -3.989 -4.857 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -7.880 -3.477 -2.264 1.00 0.51 H new ATOM 0 HB3 LEU A 86 -7.985 -5.019 -3.089 1.00 0.51 H new ATOM 0 HG LEU A 86 -5.511 -5.250 -2.883 1.00 0.56 H new ATOM 0 HD11 LEU A 86 -4.270 -3.950 -1.208 1.00 0.59 H new ATOM 0 HD12 LEU A 86 -4.787 -2.955 -2.590 1.00 0.59 H new ATOM 0 HD13 LEU A 86 -5.659 -2.849 -1.042 1.00 0.59 H new ATOM 0 HD21 LEU A 86 -5.655 -5.772 -0.386 1.00 0.72 H new ATOM 0 HD22 LEU A 86 -7.118 -4.762 -0.291 1.00 0.72 H new ATOM 0 HD23 LEU A 86 -7.137 -6.269 -1.237 1.00 0.72 H new ATOM 1355 N LEU A 87 -8.601 -4.213 -6.097 1.00 0.47 N ATOM 1356 CA LEU A 87 -9.861 -4.355 -6.842 1.00 0.51 C ATOM 1357 C LEU A 87 -10.182 -5.836 -7.086 1.00 0.52 C ATOM 1358 O LEU A 87 -9.330 -6.593 -7.546 1.00 0.67 O ATOM 1359 CB LEU A 87 -9.784 -3.584 -8.182 1.00 0.67 C ATOM 1360 CG LEU A 87 -10.902 -2.539 -8.372 1.00 1.46 C ATOM 1361 CD1 LEU A 87 -10.524 -1.200 -7.720 1.00 2.00 C ATOM 1362 CD2 LEU A 87 -11.173 -2.302 -9.863 1.00 2.11 C ATOM 0 H LEU A 87 -7.847 -4.797 -6.459 1.00 0.47 H new ATOM 0 HA LEU A 87 -10.666 -3.928 -6.244 1.00 0.51 H new ATOM 0 HB2 LEU A 87 -8.818 -3.083 -8.245 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -9.826 -4.299 -9.003 1.00 0.67 H new ATOM 0 HG LEU A 87 -11.799 -2.932 -7.893 1.00 1.46 H new ATOM 0 HD11 LEU A 87 -11.330 -0.482 -7.870 1.00 2.00 H new ATOM 0 HD12 LEU A 87 -10.363 -1.348 -6.652 1.00 2.00 H new ATOM 0 HD13 LEU A 87 -9.610 -0.819 -8.175 1.00 2.00 H new ATOM 0 HD21 LEU A 87 -11.965 -1.562 -9.976 1.00 2.11 H new ATOM 0 HD22 LEU A 87 -10.265 -1.939 -10.345 1.00 2.11 H new ATOM 0 HD23 LEU A 87 -11.482 -3.237 -10.330 1.00 2.11 H new ATOM 1374 N GLY A 88 -11.428 -6.241 -6.828 1.00 0.51 N ATOM 1375 CA GLY A 88 -11.921 -7.603 -7.077 1.00 0.57 C ATOM 1376 C GLY A 88 -11.602 -8.571 -5.939 1.00 0.59 C ATOM 1377 O GLY A 88 -11.004 -9.619 -6.176 1.00 0.79 O ATOM 0 H GLY A 88 -12.137 -5.623 -6.433 1.00 0.51 H new ATOM 0 HA2 GLY A 88 -13.000 -7.571 -7.228 1.00 0.57 H new ATOM 0 HA3 GLY A 88 -11.481 -7.979 -8.001 1.00 0.57 H new ATOM 1381 N LEU A 89 -11.937 -8.182 -4.706 1.00 0.59 N ATOM 1382 CA LEU A 89 -11.694 -8.936 -3.471 1.00 0.58 C ATOM 1383 C LEU A 89 -12.192 -10.385 -3.469 1.00 0.68 C ATOM 1384 O LEU A 89 -13.135 -10.749 -4.164 1.00 1.01 O ATOM 1385 CB LEU A 89 -12.301 -8.254 -2.234 1.00 0.81 C ATOM 1386 CG LEU A 89 -12.236 -6.729 -2.071 1.00 1.01 C ATOM 1387 CD1 LEU A 89 -12.858 -6.425 -0.707 1.00 2.48 C ATOM 1388 CD2 LEU A 89 -10.823 -6.140 -2.168 1.00 2.53 C ATOM 0 H LEU A 89 -12.406 -7.293 -4.532 1.00 0.59 H new ATOM 0 HA LEU A 89 -10.605 -8.950 -3.427 1.00 0.58 H new ATOM 0 HB2 LEU A 89 -13.353 -8.536 -2.195 1.00 0.81 H new ATOM 0 HB3 LEU A 89 -11.821 -8.691 -1.358 1.00 0.81 H new ATOM 0 HG LEU A 89 -12.775 -6.261 -2.895 1.00 1.01 H new ATOM 0 HD11 LEU A 89 -12.841 -5.349 -0.531 1.00 2.48 H new ATOM 0 HD12 LEU A 89 -13.889 -6.779 -0.690 1.00 2.48 H new ATOM 0 HD13 LEU A 89 -12.288 -6.929 0.073 1.00 2.48 H new ATOM 0 HD21 LEU A 89 -10.870 -5.058 -2.042 1.00 2.53 H new ATOM 0 HD22 LEU A 89 -10.195 -6.570 -1.387 1.00 2.53 H new ATOM 0 HD23 LEU A 89 -10.398 -6.373 -3.144 1.00 2.53 H new ATOM 1400 N LYS A 90 -11.574 -11.191 -2.598 1.00 0.66 N ATOM 1401 CA LYS A 90 -11.893 -12.624 -2.418 1.00 0.77 C ATOM 1402 C LYS A 90 -12.425 -12.968 -1.013 1.00 0.90 C ATOM 1403 O LYS A 90 -13.190 -13.913 -0.837 1.00 0.94 O ATOM 1404 CB LYS A 90 -10.664 -13.477 -2.771 1.00 0.77 C ATOM 1405 CG LYS A 90 -10.008 -13.142 -4.124 1.00 0.81 C ATOM 1406 CD LYS A 90 -10.926 -13.259 -5.347 1.00 1.15 C ATOM 1407 CE LYS A 90 -10.132 -12.895 -6.606 1.00 1.06 C ATOM 1408 NZ LYS A 90 -10.926 -13.094 -7.836 1.00 1.82 N ATOM 0 H LYS A 90 -10.825 -10.867 -1.986 1.00 0.66 H new ATOM 0 HA LYS A 90 -12.710 -12.857 -3.101 1.00 0.77 H new ATOM 0 HB2 LYS A 90 -9.920 -13.358 -1.984 1.00 0.77 H new ATOM 0 HB3 LYS A 90 -10.958 -14.527 -2.776 1.00 0.77 H new ATOM 0 HG2 LYS A 90 -9.620 -12.124 -4.078 1.00 0.81 H new ATOM 0 HG3 LYS A 90 -9.153 -13.803 -4.268 1.00 0.81 H new ATOM 0 HD2 LYS A 90 -11.316 -14.273 -5.429 1.00 1.15 H new ATOM 0 HD3 LYS A 90 -11.784 -12.595 -5.238 1.00 1.15 H new ATOM 0 HE2 LYS A 90 -9.812 -11.855 -6.545 1.00 1.06 H new ATOM 0 HE3 LYS A 90 -9.229 -13.504 -6.654 1.00 1.06 H new ATOM 0 HZ1 LYS A 90 -10.468 -13.813 -8.432 1.00 1.82 H new ATOM 0 HZ2 LYS A 90 -11.883 -13.412 -7.584 1.00 1.82 H new ATOM 0 HZ3 LYS A 90 -10.986 -12.197 -8.359 1.00 1.82 H new ATOM 1422 N ARG A 91 -12.059 -12.139 -0.028 1.00 1.10 N ATOM 1423 CA ARG A 91 -12.736 -11.960 1.267 1.00 1.21 C ATOM 1424 C ARG A 91 -13.286 -10.526 1.294 1.00 1.13 C ATOM 1425 O ARG A 91 -12.548 -9.631 0.873 1.00 1.18 O ATOM 1426 CB ARG A 91 -11.755 -12.089 2.455 1.00 1.43 C ATOM 1427 CG ARG A 91 -11.165 -13.493 2.661 1.00 1.83 C ATOM 1428 CD ARG A 91 -9.896 -13.499 3.535 1.00 2.83 C ATOM 1429 NE ARG A 91 -10.108 -13.117 4.941 1.00 3.62 N ATOM 1430 CZ ARG A 91 -9.172 -13.225 5.884 1.00 4.82 C ATOM 1431 NH1 ARG A 91 -7.900 -13.427 5.607 1.00 5.59 N ATOM 1432 NH2 ARG A 91 -9.480 -13.156 7.156 1.00 5.74 N ATOM 0 H ARG A 91 -11.237 -11.541 -0.116 1.00 1.10 H new ATOM 0 HA ARG A 91 -13.508 -12.724 1.365 1.00 1.21 H new ATOM 0 HB2 ARG A 91 -10.936 -11.385 2.308 1.00 1.43 H new ATOM 0 HB3 ARG A 91 -12.272 -11.791 3.367 1.00 1.43 H new ATOM 0 HG2 ARG A 91 -11.918 -14.132 3.122 1.00 1.83 H new ATOM 0 HG3 ARG A 91 -10.930 -13.927 1.689 1.00 1.83 H new ATOM 0 HD2 ARG A 91 -9.458 -14.497 3.507 1.00 2.83 H new ATOM 0 HD3 ARG A 91 -9.167 -12.819 3.095 1.00 2.83 H new ATOM 0 HE ARG A 91 -11.021 -12.750 5.208 1.00 3.62 H new ATOM 0 HH11 ARG A 91 -7.596 -13.507 4.637 1.00 5.59 H new ATOM 0 HH12 ARG A 91 -7.219 -13.503 6.363 1.00 5.59 H new ATOM 0 HH21 ARG A 91 -10.450 -13.017 7.439 1.00 5.74 H new ATOM 0 HH22 ARG A 91 -8.750 -13.241 7.863 1.00 5.74 H new ATOM 1446 N PRO A 92 -14.509 -10.270 1.793 1.00 1.20 N ATOM 1447 CA PRO A 92 -14.894 -8.922 2.182 1.00 1.33 C ATOM 1448 C PRO A 92 -14.036 -8.540 3.389 1.00 1.42 C ATOM 1449 O PRO A 92 -13.884 -9.345 4.307 1.00 1.66 O ATOM 1450 CB PRO A 92 -16.385 -9.003 2.516 1.00 1.57 C ATOM 1451 CG PRO A 92 -16.565 -10.446 2.998 1.00 1.60 C ATOM 1452 CD PRO A 92 -15.520 -11.234 2.205 1.00 1.36 C ATOM 0 HA PRO A 92 -14.740 -8.164 1.414 1.00 1.33 H new ATOM 0 HB2 PRO A 92 -16.663 -8.285 3.287 1.00 1.57 H new ATOM 0 HB3 PRO A 92 -17.004 -8.791 1.644 1.00 1.57 H new ATOM 0 HG2 PRO A 92 -16.399 -10.532 4.072 1.00 1.60 H new ATOM 0 HG3 PRO A 92 -17.573 -10.810 2.801 1.00 1.60 H new ATOM 0 HD2 PRO A 92 -15.080 -12.022 2.817 1.00 1.36 H new ATOM 0 HD3 PRO A 92 -15.972 -11.718 1.339 1.00 1.36 H new ATOM 1460 N LEU A 93 -13.457 -7.336 3.383 1.00 1.57 N ATOM 1461 CA LEU A 93 -12.603 -6.849 4.469 1.00 1.59 C ATOM 1462 C LEU A 93 -13.451 -6.493 5.700 1.00 1.34 C ATOM 1463 O LEU A 93 -13.751 -5.327 5.952 1.00 1.80 O ATOM 1464 CB LEU A 93 -11.734 -5.676 3.966 1.00 1.85 C ATOM 1465 CG LEU A 93 -10.372 -6.115 3.392 1.00 1.81 C ATOM 1466 CD1 LEU A 93 -10.458 -6.749 2.003 1.00 2.28 C ATOM 1467 CD2 LEU A 93 -9.464 -4.887 3.302 1.00 2.83 C ATOM 0 H LEU A 93 -13.568 -6.668 2.620 1.00 1.57 H new ATOM 0 HA LEU A 93 -11.919 -7.636 4.787 1.00 1.59 H new ATOM 0 HB2 LEU A 93 -12.283 -5.132 3.198 1.00 1.85 H new ATOM 0 HB3 LEU A 93 -11.565 -4.982 4.789 1.00 1.85 H new ATOM 0 HG LEU A 93 -9.980 -6.877 4.066 1.00 1.81 H new ATOM 0 HD11 LEU A 93 -9.459 -7.030 1.669 1.00 2.28 H new ATOM 0 HD12 LEU A 93 -11.090 -7.636 2.047 1.00 2.28 H new ATOM 0 HD13 LEU A 93 -10.886 -6.033 1.302 1.00 2.28 H new ATOM 0 HD21 LEU A 93 -8.495 -5.180 2.897 1.00 2.83 H new ATOM 0 HD22 LEU A 93 -9.921 -4.144 2.648 1.00 2.83 H new ATOM 0 HD23 LEU A 93 -9.328 -4.461 4.296 1.00 2.83 H new ATOM 1479 N LYS A 94 -13.860 -7.502 6.474 1.00 1.26 N ATOM 1480 CA LYS A 94 -14.597 -7.312 7.723 1.00 1.45 C ATOM 1481 C LYS A 94 -13.735 -6.677 8.823 1.00 1.32 C ATOM 1482 O LYS A 94 -12.508 -6.756 8.815 1.00 1.50 O ATOM 1483 CB LYS A 94 -15.163 -8.633 8.263 1.00 1.90 C ATOM 1484 CG LYS A 94 -15.714 -9.614 7.219 1.00 2.57 C ATOM 1485 CD LYS A 94 -16.326 -10.814 7.950 1.00 3.25 C ATOM 1486 CE LYS A 94 -15.281 -11.766 8.562 1.00 3.89 C ATOM 1487 NZ LYS A 94 -14.597 -12.615 7.555 1.00 4.56 N ATOM 0 H LYS A 94 -13.687 -8.481 6.248 1.00 1.26 H new ATOM 0 HA LYS A 94 -15.414 -6.636 7.472 1.00 1.45 H new ATOM 0 HB2 LYS A 94 -14.377 -9.137 8.825 1.00 1.90 H new ATOM 0 HB3 LYS A 94 -15.961 -8.400 8.969 1.00 1.90 H new ATOM 0 HG2 LYS A 94 -16.466 -9.125 6.600 1.00 2.57 H new ATOM 0 HG3 LYS A 94 -14.917 -9.944 6.552 1.00 2.57 H new ATOM 0 HD2 LYS A 94 -16.981 -10.450 8.742 1.00 3.25 H new ATOM 0 HD3 LYS A 94 -16.950 -11.373 7.253 1.00 3.25 H new ATOM 0 HE2 LYS A 94 -14.535 -11.179 9.098 1.00 3.89 H new ATOM 0 HE3 LYS A 94 -15.770 -12.407 9.295 1.00 3.89 H new ATOM 0 HZ1 LYS A 94 -13.659 -12.888 7.911 1.00 4.56 H new ATOM 0 HZ2 LYS A 94 -15.163 -13.470 7.380 1.00 4.56 H new ATOM 0 HZ3 LYS A 94 -14.490 -12.083 6.668 1.00 4.56 H new ATOM 1501 N ALA A 95 -14.400 -6.170 9.859 1.00 1.59 N ATOM 1502 CA ALA A 95 -13.721 -5.755 11.078 1.00 1.72 C ATOM 1503 C ALA A 95 -13.201 -7.020 11.767 1.00 1.67 C ATOM 1504 O ALA A 95 -13.989 -7.905 12.105 1.00 1.84 O ATOM 1505 CB ALA A 95 -14.695 -4.956 11.952 1.00 2.25 C ATOM 0 H ALA A 95 -15.411 -6.038 9.875 1.00 1.59 H new ATOM 0 HA ALA A 95 -12.874 -5.099 10.875 1.00 1.72 H new ATOM 0 HB1 ALA A 95 -14.191 -4.643 12.866 1.00 2.25 H new ATOM 0 HB2 ALA A 95 -15.036 -4.076 11.406 1.00 2.25 H new ATOM 0 HB3 ALA A 95 -15.552 -5.580 12.206 1.00 2.25 H new ATOM 1511 N GLY A 96 -11.878 -7.117 11.902 1.00 1.56 N ATOM 1512 CA GLY A 96 -11.199 -8.275 12.486 1.00 1.65 C ATOM 1513 C GLY A 96 -10.814 -9.375 11.493 1.00 1.62 C ATOM 1514 O GLY A 96 -10.460 -10.457 11.945 1.00 1.86 O ATOM 0 H GLY A 96 -11.237 -6.381 11.604 1.00 1.56 H new ATOM 0 HA2 GLY A 96 -10.296 -7.930 12.990 1.00 1.65 H new ATOM 0 HA3 GLY A 96 -11.845 -8.707 13.250 1.00 1.65 H new ATOM 1518 N GLU A 97 -10.831 -9.124 10.176 1.00 1.55 N ATOM 1519 CA GLU A 97 -9.985 -9.910 9.263 1.00 1.41 C ATOM 1520 C GLU A 97 -8.512 -9.513 9.463 1.00 1.08 C ATOM 1521 O GLU A 97 -8.181 -8.505 10.102 1.00 1.09 O ATOM 1522 CB GLU A 97 -10.314 -9.674 7.774 1.00 1.39 C ATOM 1523 CG GLU A 97 -11.736 -9.909 7.283 1.00 1.98 C ATOM 1524 CD GLU A 97 -12.042 -11.379 7.043 1.00 1.71 C ATOM 1525 OE1 GLU A 97 -11.964 -12.187 7.989 1.00 2.14 O ATOM 1526 OE2 GLU A 97 -12.507 -11.759 5.948 1.00 2.70 O ATOM 0 H GLU A 97 -11.402 -8.407 9.728 1.00 1.55 H new ATOM 0 HA GLU A 97 -10.173 -10.957 9.501 1.00 1.41 H new ATOM 0 HB2 GLU A 97 -10.052 -8.642 7.539 1.00 1.39 H new ATOM 0 HB3 GLU A 97 -9.654 -10.312 7.187 1.00 1.39 H new ATOM 0 HG2 GLU A 97 -12.439 -9.511 8.015 1.00 1.98 H new ATOM 0 HG3 GLU A 97 -11.892 -9.354 6.358 1.00 1.98 H new ATOM 1533 N GLU A 98 -7.641 -10.226 8.765 1.00 0.99 N ATOM 1534 CA GLU A 98 -6.371 -9.751 8.287 1.00 1.21 C ATOM 1535 C GLU A 98 -6.402 -9.890 6.759 1.00 1.50 C ATOM 1536 O GLU A 98 -7.334 -10.423 6.155 1.00 1.97 O ATOM 1537 CB GLU A 98 -5.182 -10.484 8.953 1.00 1.55 C ATOM 1538 CG GLU A 98 -5.330 -11.988 9.241 1.00 2.14 C ATOM 1539 CD GLU A 98 -5.867 -12.796 8.061 1.00 3.98 C ATOM 1540 OE1 GLU A 98 -5.229 -12.810 6.988 1.00 5.51 O ATOM 1541 OE2 GLU A 98 -6.978 -13.355 8.204 1.00 4.62 O ATOM 0 H GLU A 98 -7.818 -11.197 8.509 1.00 0.99 H new ATOM 0 HA GLU A 98 -6.213 -8.707 8.559 1.00 1.21 H new ATOM 0 HB2 GLU A 98 -4.308 -10.351 8.315 1.00 1.55 H new ATOM 0 HB3 GLU A 98 -4.967 -9.983 9.897 1.00 1.55 H new ATOM 0 HG2 GLU A 98 -4.359 -12.389 9.531 1.00 2.14 H new ATOM 0 HG3 GLU A 98 -5.997 -12.121 10.093 1.00 2.14 H new ATOM 1548 N VAL A 99 -5.372 -9.330 6.167 1.00 1.29 N ATOM 1549 CA VAL A 99 -5.022 -9.329 4.753 1.00 1.35 C ATOM 1550 C VAL A 99 -3.516 -9.549 4.653 1.00 1.02 C ATOM 1551 O VAL A 99 -2.722 -8.753 5.150 1.00 0.98 O ATOM 1552 CB VAL A 99 -5.417 -7.989 4.094 1.00 1.56 C ATOM 1553 CG1 VAL A 99 -4.844 -7.843 2.673 1.00 1.77 C ATOM 1554 CG2 VAL A 99 -6.946 -7.843 4.055 1.00 1.92 C ATOM 0 H VAL A 99 -4.686 -8.810 6.714 1.00 1.29 H new ATOM 0 HA VAL A 99 -5.560 -10.120 4.229 1.00 1.35 H new ATOM 0 HB VAL A 99 -4.987 -7.196 4.705 1.00 1.56 H new ATOM 0 HG11 VAL A 99 -5.150 -6.885 2.254 1.00 1.77 H new ATOM 0 HG12 VAL A 99 -3.756 -7.890 2.713 1.00 1.77 H new ATOM 0 HG13 VAL A 99 -5.220 -8.651 2.045 1.00 1.77 H new ATOM 0 HG21 VAL A 99 -7.209 -6.894 3.588 1.00 1.92 H new ATOM 0 HG22 VAL A 99 -7.375 -8.662 3.478 1.00 1.92 H new ATOM 0 HG23 VAL A 99 -7.340 -7.869 5.071 1.00 1.92 H new ATOM 1564 N GLU A 100 -3.131 -10.629 3.983 1.00 0.88 N ATOM 1565 CA GLU A 100 -1.757 -10.865 3.565 1.00 0.73 C ATOM 1566 C GLU A 100 -1.452 -10.057 2.291 1.00 0.65 C ATOM 1567 O GLU A 100 -2.311 -9.917 1.408 1.00 0.71 O ATOM 1568 CB GLU A 100 -1.554 -12.377 3.386 1.00 0.96 C ATOM 1569 CG GLU A 100 -0.089 -12.777 3.179 1.00 1.86 C ATOM 1570 CD GLU A 100 0.127 -13.456 1.832 1.00 2.31 C ATOM 1571 OE1 GLU A 100 -0.092 -12.823 0.778 1.00 3.53 O ATOM 1572 OE2 GLU A 100 0.607 -14.609 1.820 1.00 2.37 O ATOM 0 H GLU A 100 -3.773 -11.374 3.712 1.00 0.88 H new ATOM 0 HA GLU A 100 -1.051 -10.523 4.321 1.00 0.73 H new ATOM 0 HB2 GLU A 100 -1.943 -12.894 4.263 1.00 0.96 H new ATOM 0 HB3 GLU A 100 -2.139 -12.715 2.531 1.00 0.96 H new ATOM 0 HG2 GLU A 100 0.543 -11.891 3.245 1.00 1.86 H new ATOM 0 HG3 GLU A 100 0.221 -13.449 3.979 1.00 1.86 H new ATOM 1579 N LEU A 101 -0.230 -9.513 2.212 1.00 0.65 N ATOM 1580 CA LEU A 101 0.325 -8.870 1.018 1.00 0.62 C ATOM 1581 C LEU A 101 1.686 -9.486 0.643 1.00 0.55 C ATOM 1582 O LEU A 101 2.539 -9.706 1.508 1.00 0.61 O ATOM 1583 CB LEU A 101 0.464 -7.338 1.211 1.00 0.71 C ATOM 1584 CG LEU A 101 -0.426 -6.480 0.284 1.00 1.01 C ATOM 1585 CD1 LEU A 101 -1.903 -6.463 0.696 1.00 1.53 C ATOM 1586 CD2 LEU A 101 0.080 -5.037 0.241 1.00 1.71 C ATOM 0 H LEU A 101 0.417 -9.509 3.001 1.00 0.65 H new ATOM 0 HA LEU A 101 -0.374 -9.046 0.200 1.00 0.62 H new ATOM 0 HB2 LEU A 101 0.226 -7.094 2.246 1.00 0.71 H new ATOM 0 HB3 LEU A 101 1.505 -7.060 1.050 1.00 0.71 H new ATOM 0 HG LEU A 101 -0.360 -6.947 -0.699 1.00 1.01 H new ATOM 0 HD11 LEU A 101 -2.467 -5.841 0.001 1.00 1.53 H new ATOM 0 HD12 LEU A 101 -2.298 -7.479 0.677 1.00 1.53 H new ATOM 0 HD13 LEU A 101 -1.995 -6.057 1.703 1.00 1.53 H new ATOM 0 HD21 LEU A 101 -0.558 -4.447 -0.417 1.00 1.71 H new ATOM 0 HD22 LEU A 101 0.057 -4.613 1.245 1.00 1.71 H new ATOM 0 HD23 LEU A 101 1.103 -5.021 -0.136 1.00 1.71 H new ATOM 1598 N ASP A 102 1.866 -9.666 -0.666 1.00 0.54 N ATOM 1599 CA ASP A 102 3.115 -9.807 -1.433 1.00 0.61 C ATOM 1600 C ASP A 102 3.638 -8.426 -1.859 1.00 0.60 C ATOM 1601 O ASP A 102 2.855 -7.518 -2.139 1.00 0.86 O ATOM 1602 CB ASP A 102 2.818 -10.598 -2.726 1.00 0.84 C ATOM 1603 CG ASP A 102 2.976 -12.106 -2.610 1.00 1.21 C ATOM 1604 OD1 ASP A 102 4.048 -12.574 -2.178 1.00 2.04 O ATOM 1605 OD2 ASP A 102 1.986 -12.808 -2.916 1.00 1.81 O ATOM 0 H ASP A 102 1.057 -9.723 -1.285 1.00 0.54 H new ATOM 0 HA ASP A 102 3.851 -10.314 -0.809 1.00 0.61 H new ATOM 0 HB2 ASP A 102 1.798 -10.378 -3.042 1.00 0.84 H new ATOM 0 HB3 ASP A 102 3.480 -10.238 -3.514 1.00 0.84 H new ATOM 1610 N LEU A 103 4.958 -8.283 -1.982 1.00 0.60 N ATOM 1611 CA LEU A 103 5.666 -7.091 -2.446 1.00 0.56 C ATOM 1612 C LEU A 103 6.626 -7.501 -3.574 1.00 0.57 C ATOM 1613 O LEU A 103 7.507 -8.335 -3.367 1.00 0.66 O ATOM 1614 CB LEU A 103 6.448 -6.457 -1.278 1.00 0.55 C ATOM 1615 CG LEU A 103 5.600 -5.858 -0.133 1.00 0.58 C ATOM 1616 CD1 LEU A 103 5.200 -6.893 0.928 1.00 0.72 C ATOM 1617 CD2 LEU A 103 6.411 -4.766 0.578 1.00 0.80 C ATOM 0 H LEU A 103 5.599 -9.041 -1.746 1.00 0.60 H new ATOM 0 HA LEU A 103 4.955 -6.354 -2.820 1.00 0.56 H new ATOM 0 HB2 LEU A 103 7.107 -7.216 -0.855 1.00 0.55 H new ATOM 0 HB3 LEU A 103 7.085 -5.669 -1.680 1.00 0.55 H new ATOM 0 HG LEU A 103 4.692 -5.468 -0.593 1.00 0.58 H new ATOM 0 HD11 LEU A 103 4.607 -6.408 1.703 1.00 0.72 H new ATOM 0 HD12 LEU A 103 4.612 -7.683 0.462 1.00 0.72 H new ATOM 0 HD13 LEU A 103 6.097 -7.323 1.373 1.00 0.72 H new ATOM 0 HD21 LEU A 103 5.817 -4.340 1.387 1.00 0.80 H new ATOM 0 HD22 LEU A 103 7.324 -5.199 0.987 1.00 0.80 H new ATOM 0 HD23 LEU A 103 6.669 -3.982 -0.134 1.00 0.80 H new ATOM 1629 N LEU A 104 6.443 -6.932 -4.770 1.00 0.55 N ATOM 1630 CA LEU A 104 7.148 -7.334 -5.995 1.00 0.56 C ATOM 1631 C LEU A 104 8.256 -6.336 -6.348 1.00 0.66 C ATOM 1632 O LEU A 104 7.999 -5.149 -6.585 1.00 0.67 O ATOM 1633 CB LEU A 104 6.141 -7.458 -7.155 1.00 0.60 C ATOM 1634 CG LEU A 104 5.001 -8.480 -6.968 1.00 0.60 C ATOM 1635 CD1 LEU A 104 4.118 -8.510 -8.223 1.00 0.65 C ATOM 1636 CD2 LEU A 104 5.519 -9.897 -6.680 1.00 0.65 C ATOM 0 H LEU A 104 5.788 -6.164 -4.918 1.00 0.55 H new ATOM 0 HA LEU A 104 7.618 -8.302 -5.824 1.00 0.56 H new ATOM 0 HB2 LEU A 104 5.696 -6.478 -7.327 1.00 0.60 H new ATOM 0 HB3 LEU A 104 6.691 -7.722 -8.058 1.00 0.60 H new ATOM 0 HG LEU A 104 4.423 -8.158 -6.102 1.00 0.60 H new ATOM 0 HD11 LEU A 104 3.315 -9.234 -8.085 1.00 0.65 H new ATOM 0 HD12 LEU A 104 3.691 -7.521 -8.391 1.00 0.65 H new ATOM 0 HD13 LEU A 104 4.720 -8.797 -9.085 1.00 0.65 H new ATOM 0 HD21 LEU A 104 4.675 -10.575 -6.557 1.00 0.65 H new ATOM 0 HD22 LEU A 104 6.137 -10.234 -7.512 1.00 0.65 H new ATOM 0 HD23 LEU A 104 6.113 -9.888 -5.766 1.00 0.65 H new ATOM 1648 N PHE A 105 9.492 -6.832 -6.421 1.00 0.80 N ATOM 1649 CA PHE A 105 10.704 -6.040 -6.636 1.00 0.91 C ATOM 1650 C PHE A 105 11.379 -6.358 -7.977 1.00 0.98 C ATOM 1651 O PHE A 105 11.455 -7.508 -8.419 1.00 1.12 O ATOM 1652 CB PHE A 105 11.671 -6.298 -5.473 1.00 0.95 C ATOM 1653 CG PHE A 105 11.157 -5.853 -4.119 1.00 0.94 C ATOM 1654 CD1 PHE A 105 11.370 -4.534 -3.679 1.00 2.03 C ATOM 1655 CD2 PHE A 105 10.458 -6.754 -3.293 1.00 1.94 C ATOM 1656 CE1 PHE A 105 10.907 -4.123 -2.419 1.00 2.08 C ATOM 1657 CE2 PHE A 105 9.980 -6.334 -2.045 1.00 1.90 C ATOM 1658 CZ PHE A 105 10.213 -5.024 -1.598 1.00 0.98 C ATOM 0 H PHE A 105 9.683 -7.830 -6.329 1.00 0.80 H new ATOM 0 HA PHE A 105 10.426 -4.987 -6.672 1.00 0.91 H new ATOM 0 HB2 PHE A 105 11.893 -7.364 -5.431 1.00 0.95 H new ATOM 0 HB3 PHE A 105 12.611 -5.785 -5.678 1.00 0.95 H new ATOM 0 HD1 PHE A 105 11.893 -3.834 -4.314 1.00 2.03 H new ATOM 0 HD2 PHE A 105 10.290 -7.769 -3.622 1.00 1.94 H new ATOM 0 HE1 PHE A 105 11.085 -3.113 -2.082 1.00 2.08 H new ATOM 0 HE2 PHE A 105 9.428 -7.023 -1.422 1.00 1.90 H new ATOM 0 HZ PHE A 105 9.860 -4.711 -0.627 1.00 0.98 H new ATOM 1668 N ALA A 106 11.952 -5.319 -8.591 1.00 0.99 N ATOM 1669 CA ALA A 106 12.832 -5.456 -9.750 1.00 1.07 C ATOM 1670 C ALA A 106 14.063 -6.320 -9.409 1.00 1.43 C ATOM 1671 O ALA A 106 14.574 -6.285 -8.287 1.00 1.84 O ATOM 1672 CB ALA A 106 13.223 -4.057 -10.246 1.00 1.34 C ATOM 0 H ALA A 106 11.816 -4.353 -8.294 1.00 0.99 H new ATOM 0 HA ALA A 106 12.308 -5.973 -10.553 1.00 1.07 H new ATOM 0 HB1 ALA A 106 13.880 -4.148 -11.111 1.00 1.34 H new ATOM 0 HB2 ALA A 106 12.325 -3.507 -10.528 1.00 1.34 H new ATOM 0 HB3 ALA A 106 13.742 -3.521 -9.451 1.00 1.34 H new ATOM 1678 N GLY A 107 14.537 -7.117 -10.374 1.00 2.33 N ATOM 1679 CA GLY A 107 15.629 -8.076 -10.148 1.00 3.12 C ATOM 1680 C GLY A 107 15.171 -9.416 -9.558 1.00 2.65 C ATOM 1681 O GLY A 107 15.962 -10.065 -8.877 1.00 3.48 O ATOM 0 H GLY A 107 14.178 -7.117 -11.329 1.00 2.33 H new ATOM 0 HA2 GLY A 107 16.137 -8.262 -11.094 1.00 3.12 H new ATOM 0 HA3 GLY A 107 16.361 -7.626 -9.477 1.00 3.12 H new ATOM 1685 N GLY A 108 13.917 -9.816 -9.819 1.00 1.65 N ATOM 1686 CA GLY A 108 13.422 -11.193 -9.644 1.00 1.58 C ATOM 1687 C GLY A 108 13.106 -11.594 -8.203 1.00 1.45 C ATOM 1688 O GLY A 108 13.388 -12.721 -7.813 1.00 1.88 O ATOM 0 H GLY A 108 13.201 -9.177 -10.166 1.00 1.65 H new ATOM 0 HA2 GLY A 108 12.521 -11.317 -10.244 1.00 1.58 H new ATOM 0 HA3 GLY A 108 14.167 -11.883 -10.041 1.00 1.58 H new ATOM 1692 N LYS A 109 12.581 -10.673 -7.387 1.00 1.03 N ATOM 1693 CA LYS A 109 12.466 -10.842 -5.928 1.00 0.94 C ATOM 1694 C LYS A 109 11.053 -10.540 -5.400 1.00 0.81 C ATOM 1695 O LYS A 109 10.417 -9.593 -5.856 1.00 0.88 O ATOM 1696 CB LYS A 109 13.506 -9.921 -5.264 1.00 0.98 C ATOM 1697 CG LYS A 109 14.935 -10.458 -5.451 1.00 1.42 C ATOM 1698 CD LYS A 109 15.976 -9.334 -5.480 1.00 1.74 C ATOM 1699 CE LYS A 109 17.320 -9.937 -5.907 1.00 2.72 C ATOM 1700 NZ LYS A 109 18.352 -8.894 -6.121 1.00 3.38 N ATOM 0 H LYS A 109 12.220 -9.780 -7.721 1.00 1.03 H new ATOM 0 HA LYS A 109 12.656 -11.886 -5.680 1.00 0.94 H new ATOM 0 HB2 LYS A 109 13.433 -8.921 -5.691 1.00 0.98 H new ATOM 0 HB3 LYS A 109 13.287 -9.830 -4.200 1.00 0.98 H new ATOM 0 HG2 LYS A 109 15.171 -11.149 -4.641 1.00 1.42 H new ATOM 0 HG3 LYS A 109 14.989 -11.026 -6.380 1.00 1.42 H new ATOM 0 HD2 LYS A 109 15.672 -8.552 -6.176 1.00 1.74 H new ATOM 0 HD3 LYS A 109 16.062 -8.870 -4.497 1.00 1.74 H new ATOM 0 HE2 LYS A 109 17.663 -10.636 -5.144 1.00 2.72 H new ATOM 0 HE3 LYS A 109 17.186 -10.509 -6.825 1.00 2.72 H new ATOM 0 HZ1 LYS A 109 19.245 -9.343 -6.408 1.00 3.38 H new ATOM 0 HZ2 LYS A 109 18.037 -8.242 -6.867 1.00 3.38 H new ATOM 0 HZ3 LYS A 109 18.499 -8.365 -5.238 1.00 3.38 H new ATOM 1714 N VAL A 110 10.622 -11.305 -4.394 1.00 0.81 N ATOM 1715 CA VAL A 110 9.346 -11.154 -3.686 1.00 0.78 C ATOM 1716 C VAL A 110 9.549 -11.215 -2.165 1.00 0.85 C ATOM 1717 O VAL A 110 10.475 -11.874 -1.689 1.00 1.00 O ATOM 1718 CB VAL A 110 8.319 -12.206 -4.176 1.00 0.86 C ATOM 1719 CG1 VAL A 110 8.743 -13.653 -3.861 1.00 1.95 C ATOM 1720 CG2 VAL A 110 6.902 -11.952 -3.639 1.00 2.01 C ATOM 0 H VAL A 110 11.177 -12.081 -4.034 1.00 0.81 H new ATOM 0 HA VAL A 110 8.939 -10.169 -3.916 1.00 0.78 H new ATOM 0 HB VAL A 110 8.299 -12.087 -5.259 1.00 0.86 H new ATOM 0 HG11 VAL A 110 7.983 -14.343 -4.229 1.00 1.95 H new ATOM 0 HG12 VAL A 110 9.694 -13.868 -4.348 1.00 1.95 H new ATOM 0 HG13 VAL A 110 8.852 -13.774 -2.783 1.00 1.95 H new ATOM 0 HG21 VAL A 110 6.227 -12.720 -4.016 1.00 2.01 H new ATOM 0 HG22 VAL A 110 6.915 -11.983 -2.550 1.00 2.01 H new ATOM 0 HG23 VAL A 110 6.558 -10.972 -3.970 1.00 2.01 H new ATOM 1730 N LEU A 111 8.675 -10.530 -1.425 1.00 0.79 N ATOM 1731 CA LEU A 111 8.624 -10.443 0.038 1.00 0.92 C ATOM 1732 C LEU A 111 7.151 -10.378 0.479 1.00 0.84 C ATOM 1733 O LEU A 111 6.305 -10.012 -0.328 1.00 0.90 O ATOM 1734 CB LEU A 111 9.392 -9.170 0.440 1.00 1.09 C ATOM 1735 CG LEU A 111 9.692 -8.941 1.931 1.00 1.40 C ATOM 1736 CD1 LEU A 111 10.587 -10.045 2.510 1.00 1.73 C ATOM 1737 CD2 LEU A 111 10.385 -7.576 2.066 1.00 2.29 C ATOM 0 H LEU A 111 7.932 -9.983 -1.861 1.00 0.79 H new ATOM 0 HA LEU A 111 9.077 -11.309 0.520 1.00 0.92 H new ATOM 0 HB2 LEU A 111 10.342 -9.172 -0.094 1.00 1.09 H new ATOM 0 HB3 LEU A 111 8.825 -8.312 0.079 1.00 1.09 H new ATOM 0 HG LEU A 111 8.758 -8.963 2.492 1.00 1.40 H new ATOM 0 HD11 LEU A 111 10.775 -9.845 3.565 1.00 1.73 H new ATOM 0 HD12 LEU A 111 10.089 -11.009 2.406 1.00 1.73 H new ATOM 0 HD13 LEU A 111 11.534 -10.066 1.971 1.00 1.73 H new ATOM 0 HD21 LEU A 111 10.611 -7.385 3.115 1.00 2.29 H new ATOM 0 HD22 LEU A 111 11.311 -7.579 1.490 1.00 2.29 H new ATOM 0 HD23 LEU A 111 9.726 -6.794 1.689 1.00 2.29 H new ATOM 1749 N LYS A 112 6.829 -10.702 1.733 1.00 1.26 N ATOM 1750 CA LYS A 112 5.456 -10.629 2.261 1.00 1.29 C ATOM 1751 C LYS A 112 5.341 -9.805 3.555 1.00 1.51 C ATOM 1752 O LYS A 112 6.351 -9.505 4.190 1.00 2.15 O ATOM 1753 CB LYS A 112 4.903 -12.058 2.448 1.00 1.51 C ATOM 1754 CG LYS A 112 4.481 -12.673 1.107 1.00 1.88 C ATOM 1755 CD LYS A 112 3.938 -14.097 1.290 1.00 1.74 C ATOM 1756 CE LYS A 112 3.402 -14.640 -0.041 1.00 2.32 C ATOM 1757 NZ LYS A 112 2.123 -13.996 -0.418 1.00 3.08 N ATOM 0 H LYS A 112 7.513 -11.024 2.418 1.00 1.26 H new ATOM 0 HA LYS A 112 4.850 -10.096 1.528 1.00 1.29 H new ATOM 0 HB2 LYS A 112 5.662 -12.686 2.915 1.00 1.51 H new ATOM 0 HB3 LYS A 112 4.049 -12.034 3.124 1.00 1.51 H new ATOM 0 HG2 LYS A 112 3.718 -12.048 0.642 1.00 1.88 H new ATOM 0 HG3 LYS A 112 5.334 -12.692 0.429 1.00 1.88 H new ATOM 0 HD2 LYS A 112 4.727 -14.749 1.664 1.00 1.74 H new ATOM 0 HD3 LYS A 112 3.144 -14.097 2.036 1.00 1.74 H new ATOM 0 HE2 LYS A 112 4.139 -14.473 -0.826 1.00 2.32 H new ATOM 0 HE3 LYS A 112 3.258 -15.718 0.037 1.00 2.32 H new ATOM 0 HZ1 LYS A 112 2.002 -14.042 -1.450 1.00 3.08 H new ATOM 0 HZ2 LYS A 112 1.335 -14.492 0.046 1.00 3.08 H new ATOM 0 HZ3 LYS A 112 2.133 -13.001 -0.115 1.00 3.08 H new ATOM 1771 N VAL A 113 4.098 -9.495 3.942 1.00 1.10 N ATOM 1772 CA VAL A 113 3.695 -8.818 5.197 1.00 1.24 C ATOM 1773 C VAL A 113 2.305 -9.294 5.650 1.00 1.03 C ATOM 1774 O VAL A 113 1.535 -9.781 4.816 1.00 0.89 O ATOM 1775 CB VAL A 113 3.655 -7.276 5.061 1.00 1.45 C ATOM 1776 CG1 VAL A 113 5.050 -6.658 4.878 1.00 2.16 C ATOM 1777 CG2 VAL A 113 2.727 -6.815 3.921 1.00 2.64 C ATOM 0 H VAL A 113 3.293 -9.720 3.358 1.00 1.10 H new ATOM 0 HA VAL A 113 4.453 -9.082 5.934 1.00 1.24 H new ATOM 0 HB VAL A 113 3.249 -6.915 6.006 1.00 1.45 H new ATOM 0 HG11 VAL A 113 4.959 -5.575 4.788 1.00 2.16 H new ATOM 0 HG12 VAL A 113 5.671 -6.900 5.740 1.00 2.16 H new ATOM 0 HG13 VAL A 113 5.510 -7.060 3.975 1.00 2.16 H new ATOM 0 HG21 VAL A 113 2.732 -5.726 3.865 1.00 2.64 H new ATOM 0 HG22 VAL A 113 3.079 -7.228 2.976 1.00 2.64 H new ATOM 0 HG23 VAL A 113 1.712 -7.163 4.114 1.00 2.64 H new ATOM 1787 N VAL A 114 1.974 -9.123 6.936 1.00 1.15 N ATOM 1788 CA VAL A 114 0.653 -9.457 7.512 1.00 1.02 C ATOM 1789 C VAL A 114 -0.009 -8.196 8.082 1.00 1.03 C ATOM 1790 O VAL A 114 0.554 -7.514 8.932 1.00 1.36 O ATOM 1791 CB VAL A 114 0.766 -10.549 8.604 1.00 1.31 C ATOM 1792 CG1 VAL A 114 -0.620 -10.902 9.181 1.00 1.62 C ATOM 1793 CG2 VAL A 114 1.394 -11.836 8.035 1.00 1.64 C ATOM 0 H VAL A 114 2.625 -8.742 7.623 1.00 1.15 H new ATOM 0 HA VAL A 114 0.030 -9.856 6.711 1.00 1.02 H new ATOM 0 HB VAL A 114 1.401 -10.145 9.392 1.00 1.31 H new ATOM 0 HG11 VAL A 114 -0.511 -11.671 9.945 1.00 1.62 H new ATOM 0 HG12 VAL A 114 -1.067 -10.012 9.623 1.00 1.62 H new ATOM 0 HG13 VAL A 114 -1.263 -11.273 8.383 1.00 1.62 H new ATOM 0 HG21 VAL A 114 1.462 -12.587 8.822 1.00 1.64 H new ATOM 0 HG22 VAL A 114 0.773 -12.216 7.224 1.00 1.64 H new ATOM 0 HG23 VAL A 114 2.392 -11.617 7.656 1.00 1.64 H new ATOM 1803 N LEU A 115 -1.221 -7.881 7.610 1.00 0.85 N ATOM 1804 CA LEU A 115 -1.919 -6.617 7.876 1.00 1.00 C ATOM 1805 C LEU A 115 -3.315 -6.898 8.479 1.00 0.86 C ATOM 1806 O LEU A 115 -4.094 -7.598 7.829 1.00 0.89 O ATOM 1807 CB LEU A 115 -2.077 -5.858 6.535 1.00 1.25 C ATOM 1808 CG LEU A 115 -0.851 -5.799 5.597 1.00 1.06 C ATOM 1809 CD1 LEU A 115 -1.256 -5.055 4.317 1.00 2.09 C ATOM 1810 CD2 LEU A 115 0.346 -5.085 6.231 1.00 1.68 C ATOM 0 H LEU A 115 -1.758 -8.514 7.017 1.00 0.85 H new ATOM 0 HA LEU A 115 -1.347 -6.020 8.586 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -2.899 -6.316 5.985 1.00 1.25 H new ATOM 0 HB3 LEU A 115 -2.376 -4.835 6.762 1.00 1.25 H new ATOM 0 HG LEU A 115 -0.542 -6.823 5.387 1.00 1.06 H new ATOM 0 HD11 LEU A 115 -0.403 -5.003 3.641 1.00 2.09 H new ATOM 0 HD12 LEU A 115 -2.073 -5.587 3.830 1.00 2.09 H new ATOM 0 HD13 LEU A 115 -1.581 -4.046 4.570 1.00 2.09 H new ATOM 0 HD21 LEU A 115 1.178 -5.074 5.527 1.00 1.68 H new ATOM 0 HD22 LEU A 115 0.068 -4.061 6.481 1.00 1.68 H new ATOM 0 HD23 LEU A 115 0.645 -5.611 7.137 1.00 1.68 H new ATOM 1822 N PRO A 116 -3.698 -6.379 9.661 1.00 0.75 N ATOM 1823 CA PRO A 116 -5.057 -6.525 10.193 1.00 0.69 C ATOM 1824 C PRO A 116 -6.043 -5.582 9.486 1.00 0.80 C ATOM 1825 O PRO A 116 -5.641 -4.533 8.975 1.00 1.01 O ATOM 1826 CB PRO A 116 -4.938 -6.212 11.685 1.00 0.73 C ATOM 1827 CG PRO A 116 -3.779 -5.219 11.742 1.00 0.70 C ATOM 1828 CD PRO A 116 -2.855 -5.682 10.618 1.00 0.75 C ATOM 0 HA PRO A 116 -5.453 -7.527 10.026 1.00 0.69 H new ATOM 0 HB2 PRO A 116 -5.858 -5.781 12.081 1.00 0.73 H new ATOM 0 HB3 PRO A 116 -4.729 -7.108 12.269 1.00 0.73 H new ATOM 0 HG2 PRO A 116 -4.120 -4.196 11.585 1.00 0.70 H new ATOM 0 HG3 PRO A 116 -3.277 -5.243 12.709 1.00 0.70 H new ATOM 0 HD2 PRO A 116 -2.355 -4.834 10.151 1.00 0.75 H new ATOM 0 HD3 PRO A 116 -2.075 -6.340 11.001 1.00 0.75 H new ATOM 1836 N VAL A 117 -7.340 -5.923 9.477 1.00 0.78 N ATOM 1837 CA VAL A 117 -8.384 -5.017 8.964 1.00 0.86 C ATOM 1838 C VAL A 117 -9.015 -4.206 10.099 1.00 0.91 C ATOM 1839 O VAL A 117 -9.697 -4.745 10.971 1.00 1.01 O ATOM 1840 CB VAL A 117 -9.460 -5.738 8.133 1.00 0.86 C ATOM 1841 CG1 VAL A 117 -10.507 -4.733 7.614 1.00 1.06 C ATOM 1842 CG2 VAL A 117 -8.811 -6.416 6.917 1.00 0.94 C ATOM 0 H VAL A 117 -7.693 -6.817 9.818 1.00 0.78 H new ATOM 0 HA VAL A 117 -7.883 -4.330 8.282 1.00 0.86 H new ATOM 0 HB VAL A 117 -9.941 -6.477 8.773 1.00 0.86 H new ATOM 0 HG11 VAL A 117 -11.260 -5.261 7.029 1.00 1.06 H new ATOM 0 HG12 VAL A 117 -10.986 -4.238 8.459 1.00 1.06 H new ATOM 0 HG13 VAL A 117 -10.017 -3.988 6.987 1.00 1.06 H new ATOM 0 HG21 VAL A 117 -9.577 -6.925 6.332 1.00 0.94 H new ATOM 0 HG22 VAL A 117 -8.323 -5.663 6.298 1.00 0.94 H new ATOM 0 HG23 VAL A 117 -8.072 -7.142 7.256 1.00 0.94 H new ATOM 1852 N GLU A 118 -8.806 -2.888 10.039 1.00 0.97 N ATOM 1853 CA GLU A 118 -9.320 -1.924 11.008 1.00 1.02 C ATOM 1854 C GLU A 118 -10.654 -1.333 10.548 1.00 1.54 C ATOM 1855 O GLU A 118 -10.755 -0.791 9.447 1.00 1.75 O ATOM 1856 CB GLU A 118 -8.343 -0.756 11.204 1.00 1.12 C ATOM 1857 CG GLU A 118 -7.002 -1.133 11.850 1.00 1.88 C ATOM 1858 CD GLU A 118 -6.277 0.116 12.360 1.00 3.18 C ATOM 1859 OE1 GLU A 118 -6.540 1.230 11.858 1.00 3.91 O ATOM 1860 OE2 GLU A 118 -5.533 0.026 13.360 1.00 4.05 O ATOM 0 H GLU A 118 -8.260 -2.454 9.295 1.00 0.97 H new ATOM 0 HA GLU A 118 -9.450 -2.468 11.943 1.00 1.02 H new ATOM 0 HB2 GLU A 118 -8.146 -0.300 10.234 1.00 1.12 H new ATOM 0 HB3 GLU A 118 -8.826 0.002 11.821 1.00 1.12 H new ATOM 0 HG2 GLU A 118 -7.172 -1.824 12.676 1.00 1.88 H new ATOM 0 HG3 GLU A 118 -6.376 -1.652 11.124 1.00 1.88 H new ATOM 1867 N ALA A 119 -11.639 -1.350 11.448 1.00 2.13 N ATOM 1868 CA ALA A 119 -12.731 -0.378 11.492 1.00 2.58 C ATOM 1869 C ALA A 119 -12.467 0.604 12.653 1.00 3.82 C ATOM 1870 O ALA A 119 -11.798 0.234 13.622 1.00 4.54 O ATOM 1871 CB ALA A 119 -14.058 -1.129 11.660 1.00 2.82 C ATOM 0 H ALA A 119 -11.700 -2.056 12.182 1.00 2.13 H new ATOM 0 HA ALA A 119 -12.789 0.197 10.568 1.00 2.58 H new ATOM 0 HB1 ALA A 119 -14.879 -0.413 11.694 1.00 2.82 H new ATOM 0 HB2 ALA A 119 -14.202 -1.807 10.818 1.00 2.82 H new ATOM 0 HB3 ALA A 119 -14.037 -1.702 12.587 1.00 2.82 H new ATOM 1877 N ARG A 120 -12.966 1.839 12.536 1.00 4.51 N ATOM 1878 CA ARG A 120 -12.768 2.974 13.456 1.00 5.68 C ATOM 1879 C ARG A 120 -13.968 3.914 13.376 1.00 6.82 C ATOM 1880 O ARG A 120 -14.254 4.543 14.412 1.00 8.32 O ATOM 1881 CB ARG A 120 -11.497 3.757 13.086 1.00 5.27 C ATOM 1882 CG ARG A 120 -10.198 2.970 13.290 1.00 5.88 C ATOM 1883 CD ARG A 120 -8.985 3.858 12.995 1.00 6.03 C ATOM 1884 NE ARG A 120 -7.729 3.173 13.328 1.00 6.94 N ATOM 1885 CZ ARG A 120 -7.138 3.091 14.499 1.00 8.15 C ATOM 1886 NH1 ARG A 120 -7.591 3.723 15.544 1.00 8.67 N ATOM 1887 NH2 ARG A 120 -6.079 2.363 14.668 1.00 9.30 N ATOM 1888 OXT ARG A 120 -14.532 3.984 12.261 1.00 6.65 O ATOM 0 H ARG A 120 -13.558 2.093 11.746 1.00 4.51 H new ATOM 0 HA ARG A 120 -12.664 2.582 14.468 1.00 5.68 H new ATOM 0 HB2 ARG A 120 -11.563 4.065 12.042 1.00 5.27 H new ATOM 0 HB3 ARG A 120 -11.456 4.667 13.685 1.00 5.27 H new ATOM 0 HG2 ARG A 120 -10.146 2.600 14.314 1.00 5.88 H new ATOM 0 HG3 ARG A 120 -10.187 2.098 12.636 1.00 5.88 H new ATOM 0 HD2 ARG A 120 -8.982 4.135 11.941 1.00 6.03 H new ATOM 0 HD3 ARG A 120 -9.060 4.782 13.567 1.00 6.03 H new ATOM 0 HE ARG A 120 -7.257 2.703 12.555 1.00 6.94 H new ATOM 0 HH11 ARG A 120 -8.427 4.302 15.467 1.00 8.67 H new ATOM 0 HH12 ARG A 120 -7.109 3.639 16.439 1.00 8.67 H new ATOM 0 HH21 ARG A 120 -5.689 1.840 13.884 1.00 9.30 H new ATOM 0 HH22 ARG A 120 -5.635 2.313 15.585 1.00 9.30 H new