USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 SER OG : rot 41:sc= 1.24 USER MOD Single : A 15 ASN : amide:sc= 0.00952 X(o=0.0095,f=0) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.234 USER MOD Single : A 21 THR OG1 : rot 73:sc= 0.244 USER MOD Single : A 24 ASN : amide:sc= 0.072 K(o=0.072,f=-5.5!) USER MOD Single : A 37 THR OG1 : rot 148:sc= -1.22 USER MOD Single : A 46 HIS : no HD1:sc= -0.244 K(o=-0.24,f=-3.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -159:sc= 0.676 (180deg=-1.16!) USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= -0.379 (180deg=-0.541) USER MOD Single : A 59 MET CE :methyl -156:sc= 0 (180deg=-0.128) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -167:sc= 0.345! (180deg=-0.268!) USER MOD Single : A 78 LYS NZ :NH3+ 165:sc= 0.0444 (180deg=-0.81) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.00039 X(o=0.00039,f=-0.079) USER MOD Single : A 85 MET CE :methyl 168:sc= -1.13 (180deg=-1.3) USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= 1.01 (180deg=0.851) USER MOD Single : A 94 LYS NZ :NH3+ -161:sc= 0.84 (180deg=-0.704!) USER MOD Single : A 109 LYS NZ :NH3+ -156:sc= -0.425! (180deg=-0.82) USER MOD Single : A 112 LYS NZ :NH3+ 177:sc= 2.15 (180deg=2.05) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 11.522 -3.296 -2.205 1.00 1.53 N ATOM 56 CA GLU A 5 11.479 -3.456 -0.758 1.00 1.27 C ATOM 57 C GLU A 5 10.196 -2.858 -0.155 1.00 1.26 C ATOM 58 O GLU A 5 9.831 -1.705 -0.399 1.00 1.54 O ATOM 59 CB GLU A 5 12.771 -2.889 -0.122 1.00 2.57 C ATOM 60 CG GLU A 5 13.125 -1.406 -0.362 1.00 4.36 C ATOM 61 CD GLU A 5 13.595 -1.095 -1.788 1.00 5.27 C ATOM 62 OE1 GLU A 5 12.739 -0.930 -2.685 1.00 5.85 O ATOM 63 OE2 GLU A 5 14.815 -1.022 -2.052 1.00 6.09 O ATOM 0 HA GLU A 5 11.442 -4.520 -0.523 1.00 1.27 H new ATOM 0 HB2 GLU A 5 12.705 -3.043 0.955 1.00 2.57 H new ATOM 0 HB3 GLU A 5 13.607 -3.491 -0.479 1.00 2.57 H new ATOM 0 HG2 GLU A 5 12.251 -0.795 -0.138 1.00 4.36 H new ATOM 0 HG3 GLU A 5 13.907 -1.113 0.338 1.00 4.36 H new ATOM 70 N GLY A 6 9.499 -3.696 0.620 1.00 1.58 N ATOM 71 CA GLY A 6 8.225 -3.426 1.283 1.00 1.59 C ATOM 72 C GLY A 6 7.781 -4.637 2.102 1.00 1.41 C ATOM 73 O GLY A 6 8.350 -5.716 1.946 1.00 1.40 O ATOM 0 H GLY A 6 9.834 -4.640 0.811 1.00 1.58 H new ATOM 0 HA2 GLY A 6 8.324 -2.556 1.933 1.00 1.59 H new ATOM 0 HA3 GLY A 6 7.465 -3.184 0.540 1.00 1.59 H new ATOM 77 N TRP A 7 6.749 -4.484 2.933 1.00 1.33 N ATOM 78 CA TRP A 7 6.195 -5.562 3.749 1.00 1.17 C ATOM 79 C TRP A 7 4.669 -5.515 3.865 1.00 0.90 C ATOM 80 O TRP A 7 4.047 -4.453 3.775 1.00 0.89 O ATOM 81 CB TRP A 7 6.818 -5.560 5.152 1.00 1.37 C ATOM 82 CG TRP A 7 6.485 -4.425 6.073 1.00 1.50 C ATOM 83 CD1 TRP A 7 5.668 -4.529 7.146 1.00 1.51 C ATOM 84 CD2 TRP A 7 6.980 -3.048 6.081 1.00 1.73 C ATOM 85 NE1 TRP A 7 5.635 -3.331 7.826 1.00 1.74 N ATOM 86 CE2 TRP A 7 6.432 -2.383 7.220 1.00 1.86 C ATOM 87 CE3 TRP A 7 7.842 -2.289 5.258 1.00 1.91 C ATOM 88 CZ2 TRP A 7 6.719 -1.046 7.526 1.00 2.13 C ATOM 89 CZ3 TRP A 7 8.123 -0.938 5.541 1.00 2.17 C ATOM 90 CH2 TRP A 7 7.564 -0.315 6.673 1.00 2.27 C ATOM 0 H TRP A 7 6.268 -3.593 3.059 1.00 1.33 H new ATOM 0 HA TRP A 7 6.449 -6.487 3.231 1.00 1.17 H new ATOM 0 HB2 TRP A 7 6.527 -6.487 5.647 1.00 1.37 H new ATOM 0 HB3 TRP A 7 7.901 -5.587 5.035 1.00 1.37 H new ATOM 0 HD1 TRP A 7 5.123 -5.418 7.428 1.00 1.51 H new ATOM 0 HE1 TRP A 7 5.089 -3.166 8.672 1.00 1.74 H new ATOM 0 HE3 TRP A 7 8.295 -2.754 4.395 1.00 1.91 H new ATOM 0 HZ2 TRP A 7 6.297 -0.583 8.406 1.00 2.13 H new ATOM 0 HZ3 TRP A 7 8.772 -0.376 4.885 1.00 2.17 H new ATOM 0 HH2 TRP A 7 7.784 0.721 6.885 1.00 2.27 H new ATOM 101 N VAL A 8 4.078 -6.686 4.109 1.00 0.81 N ATOM 102 CA VAL A 8 2.671 -6.819 4.507 1.00 0.72 C ATOM 103 C VAL A 8 2.602 -7.194 5.987 1.00 0.76 C ATOM 104 O VAL A 8 3.259 -8.131 6.439 1.00 0.85 O ATOM 105 CB VAL A 8 1.899 -7.807 3.613 1.00 0.81 C ATOM 106 CG1 VAL A 8 0.420 -7.839 4.029 1.00 0.96 C ATOM 107 CG2 VAL A 8 2.020 -7.346 2.149 1.00 0.96 C ATOM 0 H VAL A 8 4.566 -7.579 4.036 1.00 0.81 H new ATOM 0 HA VAL A 8 2.175 -5.859 4.366 1.00 0.72 H new ATOM 0 HB VAL A 8 2.315 -8.809 3.721 1.00 0.81 H new ATOM 0 HG11 VAL A 8 -0.122 -8.539 3.393 1.00 0.96 H new ATOM 0 HG12 VAL A 8 0.341 -8.157 5.069 1.00 0.96 H new ATOM 0 HG13 VAL A 8 -0.010 -6.843 3.920 1.00 0.96 H new ATOM 0 HG21 VAL A 8 1.478 -8.037 1.504 1.00 0.96 H new ATOM 0 HG22 VAL A 8 1.598 -6.346 2.046 1.00 0.96 H new ATOM 0 HG23 VAL A 8 3.071 -7.328 1.859 1.00 0.96 H new ATOM 117 N ARG A 9 1.840 -6.394 6.734 1.00 0.79 N ATOM 118 CA ARG A 9 1.894 -6.298 8.187 1.00 0.88 C ATOM 119 C ARG A 9 1.159 -7.444 8.873 1.00 1.01 C ATOM 120 O ARG A 9 -0.071 -7.471 8.926 1.00 1.64 O ATOM 121 CB ARG A 9 1.323 -4.944 8.620 1.00 0.99 C ATOM 122 CG ARG A 9 1.498 -4.740 10.127 1.00 1.24 C ATOM 123 CD ARG A 9 1.120 -3.322 10.559 1.00 1.92 C ATOM 124 NE ARG A 9 1.551 -3.096 11.938 1.00 2.33 N ATOM 125 CZ ARG A 9 1.142 -3.771 12.995 1.00 2.78 C ATOM 126 NH1 ARG A 9 -0.103 -4.177 13.122 1.00 3.27 N ATOM 127 NH2 ARG A 9 2.037 -4.056 13.911 1.00 3.72 N ATOM 0 H ARG A 9 1.143 -5.773 6.324 1.00 0.79 H new ATOM 0 HA ARG A 9 2.936 -6.375 8.496 1.00 0.88 H new ATOM 0 HB2 ARG A 9 1.825 -4.142 8.079 1.00 0.99 H new ATOM 0 HB3 ARG A 9 0.266 -4.890 8.361 1.00 0.99 H new ATOM 0 HG2 ARG A 9 0.881 -5.460 10.665 1.00 1.24 H new ATOM 0 HG3 ARG A 9 2.534 -4.939 10.402 1.00 1.24 H new ATOM 0 HD2 ARG A 9 1.588 -2.593 9.897 1.00 1.92 H new ATOM 0 HD3 ARG A 9 0.042 -3.181 10.477 1.00 1.92 H new ATOM 0 HE ARG A 9 2.228 -2.350 12.097 1.00 2.33 H new ATOM 0 HH11 ARG A 9 -0.784 -3.972 12.390 1.00 3.27 H new ATOM 0 HH12 ARG A 9 -0.388 -4.697 13.952 1.00 3.27 H new ATOM 0 HH21 ARG A 9 3.005 -3.757 13.789 1.00 3.72 H new ATOM 0 HH22 ARG A 9 1.765 -4.576 14.745 1.00 3.72 H new ATOM 141 N PHE A 10 1.916 -8.348 9.483 1.00 0.90 N ATOM 142 CA PHE A 10 1.421 -9.423 10.327 1.00 0.98 C ATOM 143 C PHE A 10 0.777 -8.875 11.609 1.00 1.01 C ATOM 144 O PHE A 10 1.420 -8.219 12.428 1.00 1.42 O ATOM 145 CB PHE A 10 2.583 -10.382 10.651 1.00 1.27 C ATOM 146 CG PHE A 10 2.336 -11.318 11.822 1.00 1.46 C ATOM 147 CD1 PHE A 10 1.145 -12.066 11.908 1.00 2.67 C ATOM 148 CD2 PHE A 10 3.288 -11.414 12.855 1.00 2.21 C ATOM 149 CE1 PHE A 10 0.900 -12.886 13.021 1.00 2.85 C ATOM 150 CE2 PHE A 10 3.044 -12.238 13.967 1.00 2.38 C ATOM 151 CZ PHE A 10 1.844 -12.964 14.056 1.00 1.98 C ATOM 0 H PHE A 10 2.932 -8.350 9.398 1.00 0.90 H new ATOM 0 HA PHE A 10 0.644 -9.969 9.792 1.00 0.98 H new ATOM 0 HB2 PHE A 10 2.798 -10.981 9.766 1.00 1.27 H new ATOM 0 HB3 PHE A 10 3.475 -9.791 10.860 1.00 1.27 H new ATOM 0 HD1 PHE A 10 0.416 -12.008 11.113 1.00 2.67 H new ATOM 0 HD2 PHE A 10 4.209 -10.853 12.793 1.00 2.21 H new ATOM 0 HE1 PHE A 10 -0.015 -13.457 13.080 1.00 2.85 H new ATOM 0 HE2 PHE A 10 3.780 -12.313 14.754 1.00 2.38 H new ATOM 0 HZ PHE A 10 1.649 -13.581 14.920 1.00 1.98 H new ATOM 161 N SER A 11 -0.490 -9.217 11.833 1.00 0.90 N ATOM 162 CA SER A 11 -1.188 -9.029 13.096 1.00 1.06 C ATOM 163 C SER A 11 -2.483 -9.855 13.113 1.00 1.10 C ATOM 164 O SER A 11 -3.156 -9.919 12.083 1.00 1.28 O ATOM 165 CB SER A 11 -1.497 -7.542 13.286 1.00 1.45 C ATOM 166 OG SER A 11 -0.400 -6.912 13.926 1.00 2.31 O ATOM 0 H SER A 11 -1.075 -9.646 11.116 1.00 0.90 H new ATOM 0 HA SER A 11 -0.556 -9.370 13.916 1.00 1.06 H new ATOM 0 HB2 SER A 11 -1.688 -7.073 12.321 1.00 1.45 H new ATOM 0 HB3 SER A 11 -2.400 -7.420 13.884 1.00 1.45 H new ATOM 0 HG SER A 11 0.438 -7.251 13.548 1.00 2.31 H new ATOM 172 N PRO A 12 -2.835 -10.490 14.253 1.00 1.24 N ATOM 173 CA PRO A 12 -4.074 -11.244 14.426 1.00 1.46 C ATOM 174 C PRO A 12 -5.217 -10.279 14.777 1.00 1.45 C ATOM 175 O PRO A 12 -5.670 -10.210 15.918 1.00 2.13 O ATOM 176 CB PRO A 12 -3.760 -12.256 15.534 1.00 1.80 C ATOM 177 CG PRO A 12 -2.813 -11.471 16.441 1.00 1.79 C ATOM 178 CD PRO A 12 -2.010 -10.626 15.450 1.00 1.48 C ATOM 0 HA PRO A 12 -4.407 -11.766 13.529 1.00 1.46 H new ATOM 0 HB2 PRO A 12 -4.660 -12.571 16.063 1.00 1.80 H new ATOM 0 HB3 PRO A 12 -3.290 -13.157 15.139 1.00 1.80 H new ATOM 0 HG2 PRO A 12 -3.358 -10.850 17.152 1.00 1.79 H new ATOM 0 HG3 PRO A 12 -2.170 -12.132 17.022 1.00 1.79 H new ATOM 0 HD2 PRO A 12 -1.778 -9.649 15.873 1.00 1.48 H new ATOM 0 HD3 PRO A 12 -1.060 -11.105 15.213 1.00 1.48 H new ATOM 186 N GLY A 13 -5.642 -9.487 13.789 1.00 1.19 N ATOM 187 CA GLY A 13 -6.665 -8.449 13.944 1.00 1.20 C ATOM 188 C GLY A 13 -7.809 -8.527 12.923 1.00 1.08 C ATOM 189 O GLY A 13 -7.731 -9.287 11.956 1.00 1.32 O ATOM 0 H GLY A 13 -5.277 -9.551 12.839 1.00 1.19 H new ATOM 0 HA2 GLY A 13 -7.085 -8.517 14.948 1.00 1.20 H new ATOM 0 HA3 GLY A 13 -6.189 -7.472 13.863 1.00 1.20 H new ATOM 193 N PRO A 14 -8.855 -7.695 13.099 1.00 1.12 N ATOM 194 CA PRO A 14 -9.869 -7.454 12.073 1.00 1.33 C ATOM 195 C PRO A 14 -9.303 -6.649 10.894 1.00 1.05 C ATOM 196 O PRO A 14 -9.918 -6.622 9.824 1.00 1.26 O ATOM 197 CB PRO A 14 -10.978 -6.683 12.796 1.00 1.71 C ATOM 198 CG PRO A 14 -10.212 -5.874 13.843 1.00 1.63 C ATOM 199 CD PRO A 14 -9.082 -6.822 14.248 1.00 1.34 C ATOM 0 HA PRO A 14 -10.233 -8.384 11.636 1.00 1.33 H new ATOM 0 HB2 PRO A 14 -11.531 -6.038 12.114 1.00 1.71 H new ATOM 0 HB3 PRO A 14 -11.702 -7.355 13.256 1.00 1.71 H new ATOM 0 HG2 PRO A 14 -9.828 -4.941 13.431 1.00 1.63 H new ATOM 0 HG3 PRO A 14 -10.843 -5.612 14.692 1.00 1.63 H new ATOM 0 HD2 PRO A 14 -8.179 -6.267 14.500 1.00 1.34 H new ATOM 0 HD3 PRO A 14 -9.356 -7.401 15.130 1.00 1.34 H new ATOM 207 N ASN A 15 -8.141 -6.005 11.074 1.00 0.71 N ATOM 208 CA ASN A 15 -7.448 -5.253 10.044 1.00 0.53 C ATOM 209 C ASN A 15 -5.912 -5.345 10.146 1.00 0.54 C ATOM 210 O ASN A 15 -5.341 -5.734 11.169 1.00 0.69 O ATOM 211 CB ASN A 15 -7.963 -3.802 10.041 1.00 0.77 C ATOM 212 CG ASN A 15 -7.231 -2.866 10.993 1.00 1.54 C ATOM 213 OD1 ASN A 15 -7.134 -3.104 12.188 1.00 2.13 O ATOM 214 ND2 ASN A 15 -6.696 -1.774 10.474 1.00 2.47 N ATOM 0 H ASN A 15 -7.652 -5.999 11.969 1.00 0.71 H new ATOM 0 HA ASN A 15 -7.677 -5.707 9.080 1.00 0.53 H new ATOM 0 HB2 ASN A 15 -7.883 -3.404 9.029 1.00 0.77 H new ATOM 0 HB3 ASN A 15 -9.022 -3.806 10.299 1.00 0.77 H new ATOM 0 HD21 ASN A 15 -6.195 -1.118 11.073 1.00 2.47 H new ATOM 0 HD22 ASN A 15 -6.785 -1.588 9.475 1.00 2.47 H new ATOM 221 N ALA A 16 -5.250 -4.945 9.059 1.00 0.55 N ATOM 222 CA ALA A 16 -3.809 -4.985 8.835 1.00 0.77 C ATOM 223 C ALA A 16 -3.436 -4.007 7.702 1.00 0.64 C ATOM 224 O ALA A 16 -4.250 -3.166 7.317 1.00 0.52 O ATOM 225 CB ALA A 16 -3.383 -6.442 8.576 1.00 1.15 C ATOM 0 H ALA A 16 -5.745 -4.557 8.256 1.00 0.55 H new ATOM 0 HA ALA A 16 -3.258 -4.651 9.714 1.00 0.77 H new ATOM 0 HB1 ALA A 16 -2.307 -6.482 8.407 1.00 1.15 H new ATOM 0 HB2 ALA A 16 -3.638 -7.055 9.441 1.00 1.15 H new ATOM 0 HB3 ALA A 16 -3.902 -6.822 7.696 1.00 1.15 H new ATOM 231 N ALA A 17 -2.217 -4.101 7.164 1.00 1.10 N ATOM 232 CA ALA A 17 -1.653 -3.094 6.267 1.00 0.94 C ATOM 233 C ALA A 17 -0.624 -3.663 5.282 1.00 0.92 C ATOM 234 O ALA A 17 -0.071 -4.731 5.529 1.00 1.21 O ATOM 235 CB ALA A 17 -1.005 -2.007 7.132 1.00 0.98 C ATOM 0 H ALA A 17 -1.590 -4.886 7.342 1.00 1.10 H new ATOM 0 HA ALA A 17 -2.461 -2.693 5.655 1.00 0.94 H new ATOM 0 HB1 ALA A 17 -0.574 -1.239 6.489 1.00 0.98 H new ATOM 0 HB2 ALA A 17 -1.760 -1.558 7.778 1.00 0.98 H new ATOM 0 HB3 ALA A 17 -0.220 -2.450 7.745 1.00 0.98 H new ATOM 241 N ALA A 18 -0.307 -2.902 4.229 1.00 0.82 N ATOM 242 CA ALA A 18 0.870 -3.103 3.379 1.00 0.93 C ATOM 243 C ALA A 18 1.553 -1.764 3.037 1.00 0.88 C ATOM 244 O ALA A 18 0.882 -0.771 2.744 1.00 0.83 O ATOM 245 CB ALA A 18 0.462 -3.873 2.115 1.00 1.20 C ATOM 0 H ALA A 18 -0.878 -2.108 3.937 1.00 0.82 H new ATOM 0 HA ALA A 18 1.605 -3.695 3.925 1.00 0.93 H new ATOM 0 HB1 ALA A 18 1.337 -4.023 1.482 1.00 1.20 H new ATOM 0 HB2 ALA A 18 0.048 -4.841 2.397 1.00 1.20 H new ATOM 0 HB3 ALA A 18 -0.288 -3.302 1.568 1.00 1.20 H new ATOM 251 N TYR A 19 2.888 -1.756 3.047 1.00 1.07 N ATOM 252 CA TYR A 19 3.764 -0.591 2.830 1.00 1.29 C ATOM 253 C TYR A 19 4.927 -0.997 1.924 1.00 1.68 C ATOM 254 O TYR A 19 5.457 -2.098 2.086 1.00 2.04 O ATOM 255 CB TYR A 19 4.372 -0.108 4.158 1.00 1.47 C ATOM 256 CG TYR A 19 3.488 -0.211 5.374 1.00 1.32 C ATOM 257 CD1 TYR A 19 2.658 0.857 5.745 1.00 2.60 C ATOM 258 CD2 TYR A 19 3.531 -1.373 6.157 1.00 1.47 C ATOM 259 CE1 TYR A 19 1.877 0.770 6.912 1.00 2.67 C ATOM 260 CE2 TYR A 19 2.813 -1.446 7.360 1.00 1.47 C ATOM 261 CZ TYR A 19 1.975 -0.372 7.741 1.00 1.44 C ATOM 262 OH TYR A 19 1.252 -0.427 8.892 1.00 1.68 O ATOM 0 H TYR A 19 3.422 -2.609 3.216 1.00 1.07 H new ATOM 0 HA TYR A 19 3.164 0.202 2.383 1.00 1.29 H new ATOM 0 HB2 TYR A 19 5.281 -0.680 4.346 1.00 1.47 H new ATOM 0 HB3 TYR A 19 4.670 0.934 4.039 1.00 1.47 H new ATOM 0 HD1 TYR A 19 2.618 1.747 5.134 1.00 2.60 H new ATOM 0 HD2 TYR A 19 4.121 -2.217 5.832 1.00 1.47 H new ATOM 0 HE1 TYR A 19 1.204 1.573 7.174 1.00 2.67 H new ATOM 0 HE2 TYR A 19 2.900 -2.318 7.992 1.00 1.47 H new ATOM 0 HH TYR A 19 0.425 0.088 8.784 1.00 1.68 H new ATOM 272 N LEU A 20 5.350 -0.141 0.989 1.00 1.65 N ATOM 273 CA LEU A 20 6.253 -0.572 -0.080 1.00 1.74 C ATOM 274 C LEU A 20 6.907 0.571 -0.842 1.00 1.71 C ATOM 275 O LEU A 20 6.308 1.633 -1.015 1.00 1.55 O ATOM 276 CB LEU A 20 5.526 -1.529 -1.057 1.00 1.72 C ATOM 277 CG LEU A 20 4.321 -0.966 -1.856 1.00 1.59 C ATOM 278 CD1 LEU A 20 4.039 -1.848 -3.083 1.00 1.44 C ATOM 279 CD2 LEU A 20 3.023 -0.897 -1.032 1.00 2.12 C ATOM 0 H LEU A 20 5.085 0.843 0.951 1.00 1.65 H new ATOM 0 HA LEU A 20 7.066 -1.102 0.417 1.00 1.74 H new ATOM 0 HB2 LEU A 20 6.260 -1.898 -1.773 1.00 1.72 H new ATOM 0 HB3 LEU A 20 5.177 -2.389 -0.486 1.00 1.72 H new ATOM 0 HG LEU A 20 4.605 0.047 -2.142 1.00 1.59 H new ATOM 0 HD11 LEU A 20 3.191 -1.443 -3.635 1.00 1.44 H new ATOM 0 HD12 LEU A 20 4.917 -1.866 -3.728 1.00 1.44 H new ATOM 0 HD13 LEU A 20 3.808 -2.862 -2.757 1.00 1.44 H new ATOM 0 HD21 LEU A 20 2.221 -0.495 -1.650 1.00 2.12 H new ATOM 0 HD22 LEU A 20 2.753 -1.897 -0.693 1.00 2.12 H new ATOM 0 HD23 LEU A 20 3.175 -0.250 -0.168 1.00 2.12 H new ATOM 291 N THR A 21 8.081 0.290 -1.407 1.00 1.84 N ATOM 292 CA THR A 21 8.630 1.041 -2.530 1.00 1.69 C ATOM 293 C THR A 21 7.929 0.559 -3.796 1.00 1.55 C ATOM 294 O THR A 21 8.266 -0.468 -4.382 1.00 1.78 O ATOM 295 CB THR A 21 10.151 0.912 -2.631 1.00 1.86 C ATOM 296 OG1 THR A 21 10.700 1.060 -1.349 1.00 1.90 O ATOM 297 CG2 THR A 21 10.718 2.049 -3.476 1.00 2.12 C ATOM 0 H THR A 21 8.681 -0.473 -1.093 1.00 1.84 H new ATOM 0 HA THR A 21 8.446 2.105 -2.384 1.00 1.69 H new ATOM 0 HB THR A 21 10.390 -0.056 -3.072 1.00 1.86 H new ATOM 0 HG1 THR A 21 10.507 0.261 -0.816 1.00 1.90 H new ATOM 0 HG21 THR A 21 11.801 1.948 -3.542 1.00 2.12 H new ATOM 0 HG22 THR A 21 10.288 2.008 -4.477 1.00 2.12 H new ATOM 0 HG23 THR A 21 10.470 3.004 -3.014 1.00 2.12 H new ATOM 305 N LEU A 22 6.924 1.325 -4.205 1.00 1.54 N ATOM 306 CA LEU A 22 6.170 1.176 -5.445 1.00 1.63 C ATOM 307 C LEU A 22 7.072 1.580 -6.617 1.00 1.21 C ATOM 308 O LEU A 22 7.719 2.628 -6.561 1.00 0.95 O ATOM 309 CB LEU A 22 4.948 2.109 -5.315 1.00 1.97 C ATOM 310 CG LEU A 22 3.707 1.858 -6.185 1.00 2.35 C ATOM 311 CD1 LEU A 22 4.025 1.793 -7.675 1.00 2.08 C ATOM 312 CD2 LEU A 22 2.961 0.593 -5.748 1.00 3.23 C ATOM 0 H LEU A 22 6.594 2.113 -3.647 1.00 1.54 H new ATOM 0 HA LEU A 22 5.840 0.153 -5.624 1.00 1.63 H new ATOM 0 HB2 LEU A 22 4.627 2.083 -4.274 1.00 1.97 H new ATOM 0 HB3 LEU A 22 5.289 3.124 -5.518 1.00 1.97 H new ATOM 0 HG LEU A 22 3.059 2.721 -6.031 1.00 2.35 H new ATOM 0 HD11 LEU A 22 3.107 1.614 -8.235 1.00 2.08 H new ATOM 0 HD12 LEU A 22 4.467 2.737 -7.994 1.00 2.08 H new ATOM 0 HD13 LEU A 22 4.729 0.982 -7.862 1.00 2.08 H new ATOM 0 HD21 LEU A 22 2.089 0.447 -6.385 1.00 3.23 H new ATOM 0 HD22 LEU A 22 3.623 -0.268 -5.836 1.00 3.23 H new ATOM 0 HD23 LEU A 22 2.640 0.700 -4.712 1.00 3.23 H new ATOM 324 N GLU A 23 7.108 0.785 -7.680 1.00 1.37 N ATOM 325 CA GLU A 23 7.924 1.048 -8.862 1.00 1.29 C ATOM 326 C GLU A 23 7.109 1.535 -10.060 1.00 1.33 C ATOM 327 O GLU A 23 6.010 1.048 -10.318 1.00 1.83 O ATOM 328 CB GLU A 23 8.741 -0.193 -9.241 1.00 2.00 C ATOM 329 CG GLU A 23 7.881 -1.392 -9.675 1.00 2.69 C ATOM 330 CD GLU A 23 8.745 -2.597 -10.008 1.00 3.56 C ATOM 331 OE1 GLU A 23 9.421 -2.546 -11.056 1.00 3.79 O ATOM 332 OE2 GLU A 23 8.712 -3.558 -9.201 1.00 4.87 O ATOM 0 H GLU A 23 6.563 -0.074 -7.747 1.00 1.37 H new ATOM 0 HA GLU A 23 8.601 1.860 -8.594 1.00 1.29 H new ATOM 0 HB2 GLU A 23 9.423 0.066 -10.051 1.00 2.00 H new ATOM 0 HB3 GLU A 23 9.355 -0.487 -8.389 1.00 2.00 H new ATOM 0 HG2 GLU A 23 7.184 -1.650 -8.878 1.00 2.69 H new ATOM 0 HG3 GLU A 23 7.283 -1.118 -10.545 1.00 2.69 H new ATOM 339 N ASN A 24 7.716 2.424 -10.844 1.00 1.11 N ATOM 340 CA ASN A 24 7.448 2.559 -12.270 1.00 1.04 C ATOM 341 C ASN A 24 8.759 2.374 -13.060 1.00 1.19 C ATOM 342 O ASN A 24 9.645 3.225 -12.964 1.00 1.42 O ATOM 343 CB ASN A 24 6.827 3.934 -12.563 1.00 0.94 C ATOM 344 CG ASN A 24 6.280 4.011 -13.984 1.00 0.93 C ATOM 345 OD1 ASN A 24 6.451 3.108 -14.794 1.00 1.02 O ATOM 346 ND2 ASN A 24 5.565 5.066 -14.309 1.00 0.89 N ATOM 0 H ASN A 24 8.418 3.079 -10.499 1.00 1.11 H new ATOM 0 HA ASN A 24 6.739 1.792 -12.580 1.00 1.04 H new ATOM 0 HB2 ASN A 24 6.024 4.130 -11.852 1.00 0.94 H new ATOM 0 HB3 ASN A 24 7.578 4.711 -12.419 1.00 0.94 H new ATOM 0 HD21 ASN A 24 5.150 5.135 -15.238 1.00 0.89 H new ATOM 0 HD22 ASN A 24 5.425 5.816 -13.632 1.00 0.89 H new ATOM 353 N PRO A 25 8.920 1.274 -13.816 1.00 1.18 N ATOM 354 CA PRO A 25 10.030 1.090 -14.750 1.00 1.26 C ATOM 355 C PRO A 25 9.714 1.563 -16.180 1.00 1.25 C ATOM 356 O PRO A 25 10.625 1.628 -17.008 1.00 1.32 O ATOM 357 CB PRO A 25 10.283 -0.421 -14.719 1.00 1.44 C ATOM 358 CG PRO A 25 8.875 -0.994 -14.531 1.00 1.41 C ATOM 359 CD PRO A 25 8.210 0.019 -13.607 1.00 1.25 C ATOM 0 HA PRO A 25 10.894 1.687 -14.458 1.00 1.26 H new ATOM 0 HB2 PRO A 25 10.744 -0.773 -15.642 1.00 1.44 H new ATOM 0 HB3 PRO A 25 10.948 -0.704 -13.903 1.00 1.44 H new ATOM 0 HG2 PRO A 25 8.346 -1.082 -15.480 1.00 1.41 H new ATOM 0 HG3 PRO A 25 8.901 -1.989 -14.087 1.00 1.41 H new ATOM 0 HD2 PRO A 25 7.151 0.125 -13.841 1.00 1.25 H new ATOM 0 HD3 PRO A 25 8.276 -0.299 -12.566 1.00 1.25 H new ATOM 367 N GLY A 26 8.451 1.886 -16.485 1.00 1.21 N ATOM 368 CA GLY A 26 7.989 2.275 -17.812 1.00 1.26 C ATOM 369 C GLY A 26 8.179 3.760 -18.095 1.00 1.17 C ATOM 370 O GLY A 26 8.311 4.581 -17.193 1.00 1.15 O ATOM 0 H GLY A 26 7.704 1.882 -15.790 1.00 1.21 H new ATOM 0 HA2 GLY A 26 8.527 1.696 -18.563 1.00 1.26 H new ATOM 0 HA3 GLY A 26 6.933 2.024 -17.912 1.00 1.26 H new ATOM 374 N ASP A 27 8.190 4.091 -19.381 1.00 1.28 N ATOM 375 CA ASP A 27 8.465 5.426 -19.928 1.00 1.31 C ATOM 376 C ASP A 27 7.212 6.321 -20.026 1.00 1.24 C ATOM 377 O ASP A 27 7.284 7.457 -20.488 1.00 1.31 O ATOM 378 CB ASP A 27 9.192 5.237 -21.274 1.00 1.55 C ATOM 379 CG ASP A 27 10.456 4.384 -21.096 1.00 2.12 C ATOM 380 OD1 ASP A 27 10.335 3.141 -20.985 1.00 3.07 O ATOM 381 OD2 ASP A 27 11.554 4.942 -20.890 1.00 2.57 O ATOM 0 H ASP A 27 7.999 3.406 -20.112 1.00 1.28 H new ATOM 0 HA ASP A 27 9.108 5.976 -19.241 1.00 1.31 H new ATOM 0 HB2 ASP A 27 8.523 4.759 -21.990 1.00 1.55 H new ATOM 0 HB3 ASP A 27 9.459 6.209 -21.688 1.00 1.55 H new ATOM 386 N LEU A 28 6.068 5.826 -19.537 1.00 1.18 N ATOM 387 CA LEU A 28 4.826 6.571 -19.330 1.00 1.13 C ATOM 388 C LEU A 28 4.437 6.578 -17.831 1.00 0.93 C ATOM 389 O LEU A 28 4.928 5.735 -17.074 1.00 0.89 O ATOM 390 CB LEU A 28 3.763 6.001 -20.293 1.00 1.25 C ATOM 391 CG LEU A 28 3.282 4.552 -20.054 1.00 1.44 C ATOM 392 CD1 LEU A 28 2.279 4.445 -18.892 1.00 1.85 C ATOM 393 CD2 LEU A 28 2.599 4.044 -21.331 1.00 1.59 C ATOM 0 H LEU A 28 5.982 4.847 -19.263 1.00 1.18 H new ATOM 0 HA LEU A 28 4.936 7.627 -19.575 1.00 1.13 H new ATOM 0 HB2 LEU A 28 2.891 6.654 -20.255 1.00 1.25 H new ATOM 0 HB3 LEU A 28 4.162 6.059 -21.306 1.00 1.25 H new ATOM 0 HG LEU A 28 4.156 3.954 -19.796 1.00 1.44 H new ATOM 0 HD11 LEU A 28 1.975 3.406 -18.769 1.00 1.85 H new ATOM 0 HD12 LEU A 28 2.748 4.797 -17.973 1.00 1.85 H new ATOM 0 HD13 LEU A 28 1.403 5.056 -19.110 1.00 1.85 H new ATOM 0 HD21 LEU A 28 2.254 3.022 -21.177 1.00 1.59 H new ATOM 0 HD22 LEU A 28 1.748 4.683 -21.567 1.00 1.59 H new ATOM 0 HD23 LEU A 28 3.310 4.067 -22.157 1.00 1.59 H new ATOM 405 N PRO A 29 3.586 7.516 -17.365 1.00 0.89 N ATOM 406 CA PRO A 29 3.292 7.682 -15.944 1.00 0.76 C ATOM 407 C PRO A 29 2.276 6.634 -15.460 1.00 0.70 C ATOM 408 O PRO A 29 1.396 6.208 -16.206 1.00 0.76 O ATOM 409 CB PRO A 29 2.744 9.103 -15.803 1.00 0.86 C ATOM 410 CG PRO A 29 2.069 9.354 -17.150 1.00 1.01 C ATOM 411 CD PRO A 29 2.884 8.523 -18.145 1.00 1.05 C ATOM 0 HA PRO A 29 4.180 7.537 -15.329 1.00 0.76 H new ATOM 0 HB2 PRO A 29 2.036 9.181 -14.978 1.00 0.86 H new ATOM 0 HB3 PRO A 29 3.539 9.824 -15.611 1.00 0.86 H new ATOM 0 HG2 PRO A 29 1.024 9.044 -17.135 1.00 1.01 H new ATOM 0 HG3 PRO A 29 2.083 10.412 -17.411 1.00 1.01 H new ATOM 0 HD2 PRO A 29 2.234 8.057 -18.885 1.00 1.05 H new ATOM 0 HD3 PRO A 29 3.588 9.152 -18.690 1.00 1.05 H new ATOM 419 N LEU A 30 2.371 6.251 -14.184 1.00 0.64 N ATOM 420 CA LEU A 30 1.516 5.254 -13.543 1.00 0.63 C ATOM 421 C LEU A 30 0.593 5.950 -12.552 1.00 0.60 C ATOM 422 O LEU A 30 1.058 6.616 -11.637 1.00 0.79 O ATOM 423 CB LEU A 30 2.390 4.217 -12.827 1.00 0.73 C ATOM 424 CG LEU A 30 2.464 2.853 -13.533 1.00 0.80 C ATOM 425 CD1 LEU A 30 2.773 2.878 -15.032 1.00 1.88 C ATOM 426 CD2 LEU A 30 3.489 1.965 -12.834 1.00 2.26 C ATOM 0 H LEU A 30 3.069 6.640 -13.550 1.00 0.64 H new ATOM 0 HA LEU A 30 0.911 4.743 -14.292 1.00 0.63 H new ATOM 0 HB2 LEU A 30 3.399 4.617 -12.728 1.00 0.73 H new ATOM 0 HB3 LEU A 30 2.005 4.070 -11.818 1.00 0.73 H new ATOM 0 HG LEU A 30 1.451 2.459 -13.457 1.00 0.80 H new ATOM 0 HD11 LEU A 30 2.799 1.858 -15.415 1.00 1.88 H new ATOM 0 HD12 LEU A 30 2.000 3.442 -15.554 1.00 1.88 H new ATOM 0 HD13 LEU A 30 3.741 3.352 -15.196 1.00 1.88 H new ATOM 0 HD21 LEU A 30 3.538 1.000 -13.338 1.00 2.26 H new ATOM 0 HD22 LEU A 30 4.468 2.443 -12.869 1.00 2.26 H new ATOM 0 HD23 LEU A 30 3.194 1.817 -11.795 1.00 2.26 H new ATOM 438 N ARG A 31 -0.711 5.729 -12.690 1.00 0.55 N ATOM 439 CA ARG A 31 -1.736 6.189 -11.735 1.00 0.55 C ATOM 440 C ARG A 31 -2.336 4.979 -11.020 1.00 0.52 C ATOM 441 O ARG A 31 -3.148 4.254 -11.597 1.00 0.52 O ATOM 442 CB ARG A 31 -2.779 7.072 -12.439 1.00 0.62 C ATOM 443 CG ARG A 31 -3.751 7.753 -11.455 1.00 0.69 C ATOM 444 CD ARG A 31 -4.516 8.938 -12.071 1.00 0.84 C ATOM 445 NE ARG A 31 -3.652 10.120 -12.285 1.00 1.63 N ATOM 446 CZ ARG A 31 -3.510 10.871 -13.371 1.00 1.89 C ATOM 447 NH1 ARG A 31 -4.206 10.665 -14.472 1.00 2.04 N ATOM 448 NH2 ARG A 31 -2.641 11.852 -13.358 1.00 3.02 N ATOM 0 H ARG A 31 -1.101 5.216 -13.481 1.00 0.55 H new ATOM 0 HA ARG A 31 -1.286 6.823 -10.971 1.00 0.55 H new ATOM 0 HB2 ARG A 31 -2.266 7.836 -13.023 1.00 0.62 H new ATOM 0 HB3 ARG A 31 -3.348 6.463 -13.141 1.00 0.62 H new ATOM 0 HG2 ARG A 31 -4.468 7.015 -11.095 1.00 0.69 H new ATOM 0 HG3 ARG A 31 -3.192 8.103 -10.587 1.00 0.69 H new ATOM 0 HD2 ARG A 31 -4.949 8.631 -13.023 1.00 0.84 H new ATOM 0 HD3 ARG A 31 -5.344 9.211 -11.417 1.00 0.84 H new ATOM 0 HE ARG A 31 -3.085 10.398 -11.484 1.00 1.63 H new ATOM 0 HH11 ARG A 31 -4.885 9.905 -14.511 1.00 2.04 H new ATOM 0 HH12 ARG A 31 -4.066 11.266 -15.284 1.00 2.04 H new ATOM 0 HH21 ARG A 31 -2.085 12.030 -12.521 1.00 3.02 H new ATOM 0 HH22 ARG A 31 -2.521 12.438 -14.184 1.00 3.02 H new ATOM 462 N LEU A 32 -1.864 4.726 -9.802 1.00 0.55 N ATOM 463 CA LEU A 32 -2.188 3.578 -8.952 1.00 0.52 C ATOM 464 C LEU A 32 -3.532 3.824 -8.249 1.00 0.50 C ATOM 465 O LEU A 32 -3.628 4.707 -7.407 1.00 0.54 O ATOM 466 CB LEU A 32 -1.024 3.414 -7.956 1.00 0.53 C ATOM 467 CG LEU A 32 -1.195 2.305 -6.894 1.00 0.53 C ATOM 468 CD1 LEU A 32 -0.937 0.914 -7.491 1.00 0.71 C ATOM 469 CD2 LEU A 32 -0.208 2.562 -5.747 1.00 0.72 C ATOM 0 H LEU A 32 -1.202 5.357 -9.351 1.00 0.55 H new ATOM 0 HA LEU A 32 -2.300 2.659 -9.527 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -0.114 3.212 -8.521 1.00 0.53 H new ATOM 0 HB3 LEU A 32 -0.875 4.363 -7.441 1.00 0.53 H new ATOM 0 HG LEU A 32 -2.221 2.328 -6.528 1.00 0.53 H new ATOM 0 HD11 LEU A 32 -1.066 0.157 -6.718 1.00 0.71 H new ATOM 0 HD12 LEU A 32 -1.643 0.729 -8.301 1.00 0.71 H new ATOM 0 HD13 LEU A 32 0.081 0.868 -7.879 1.00 0.71 H new ATOM 0 HD21 LEU A 32 -0.319 1.785 -4.990 1.00 0.72 H new ATOM 0 HD22 LEU A 32 0.811 2.549 -6.134 1.00 0.72 H new ATOM 0 HD23 LEU A 32 -0.414 3.535 -5.301 1.00 0.72 H new ATOM 481 N VAL A 33 -4.551 3.031 -8.566 1.00 0.50 N ATOM 482 CA VAL A 33 -5.934 3.204 -8.069 1.00 0.49 C ATOM 483 C VAL A 33 -6.310 2.213 -6.951 1.00 0.53 C ATOM 484 O VAL A 33 -7.341 2.377 -6.303 1.00 0.55 O ATOM 485 CB VAL A 33 -6.968 3.140 -9.220 1.00 0.50 C ATOM 486 CG1 VAL A 33 -6.695 4.232 -10.272 1.00 0.55 C ATOM 487 CG2 VAL A 33 -7.003 1.779 -9.940 1.00 0.55 C ATOM 0 H VAL A 33 -4.448 2.229 -9.188 1.00 0.50 H new ATOM 0 HA VAL A 33 -5.962 4.201 -7.629 1.00 0.49 H new ATOM 0 HB VAL A 33 -7.935 3.297 -8.741 1.00 0.50 H new ATOM 0 HG11 VAL A 33 -7.436 4.163 -11.068 1.00 0.55 H new ATOM 0 HG12 VAL A 33 -6.757 5.214 -9.802 1.00 0.55 H new ATOM 0 HG13 VAL A 33 -5.698 4.093 -10.691 1.00 0.55 H new ATOM 0 HG21 VAL A 33 -7.749 1.806 -10.734 1.00 0.55 H new ATOM 0 HG22 VAL A 33 -6.024 1.570 -10.370 1.00 0.55 H new ATOM 0 HG23 VAL A 33 -7.261 0.996 -9.226 1.00 0.55 H new ATOM 497 N GLY A 34 -5.483 1.187 -6.708 1.00 0.59 N ATOM 498 CA GLY A 34 -5.662 0.222 -5.629 1.00 0.68 C ATOM 499 C GLY A 34 -4.633 -0.900 -5.697 1.00 0.74 C ATOM 500 O GLY A 34 -3.662 -0.834 -6.451 1.00 0.70 O ATOM 0 H GLY A 34 -4.653 1.006 -7.273 1.00 0.59 H new ATOM 0 HA2 GLY A 34 -5.581 0.731 -4.669 1.00 0.68 H new ATOM 0 HA3 GLY A 34 -6.665 -0.201 -5.682 1.00 0.68 H new ATOM 504 N ALA A 35 -4.884 -1.965 -4.947 1.00 0.85 N ATOM 505 CA ALA A 35 -4.234 -3.256 -5.109 1.00 0.83 C ATOM 506 C ALA A 35 -5.202 -4.366 -4.667 1.00 0.85 C ATOM 507 O ALA A 35 -6.333 -4.062 -4.289 1.00 0.95 O ATOM 508 CB ALA A 35 -2.896 -3.264 -4.368 1.00 1.06 C ATOM 0 H ALA A 35 -5.565 -1.953 -4.188 1.00 0.85 H new ATOM 0 HA ALA A 35 -3.995 -3.446 -6.155 1.00 0.83 H new ATOM 0 HB1 ALA A 35 -2.416 -4.234 -4.494 1.00 1.06 H new ATOM 0 HB2 ALA A 35 -2.251 -2.484 -4.773 1.00 1.06 H new ATOM 0 HB3 ALA A 35 -3.066 -3.079 -3.307 1.00 1.06 H new ATOM 514 N ARG A 36 -4.789 -5.632 -4.722 1.00 0.83 N ATOM 515 CA ARG A 36 -5.634 -6.786 -4.422 1.00 0.83 C ATOM 516 C ARG A 36 -4.736 -7.935 -3.976 1.00 0.82 C ATOM 517 O ARG A 36 -3.614 -8.044 -4.443 1.00 1.01 O ATOM 518 CB ARG A 36 -6.513 -7.101 -5.651 1.00 0.96 C ATOM 519 CG ARG A 36 -7.014 -8.547 -5.649 1.00 1.61 C ATOM 520 CD ARG A 36 -7.866 -8.896 -6.871 1.00 2.16 C ATOM 521 NE ARG A 36 -7.016 -9.289 -8.006 1.00 3.55 N ATOM 522 CZ ARG A 36 -7.411 -9.529 -9.248 1.00 4.52 C ATOM 523 NH1 ARG A 36 -8.665 -9.393 -9.638 1.00 4.55 N ATOM 524 NH2 ARG A 36 -6.501 -9.924 -10.109 1.00 6.06 N ATOM 0 H ARG A 36 -3.837 -5.889 -4.982 1.00 0.83 H new ATOM 0 HA ARG A 36 -6.325 -6.592 -3.602 1.00 0.83 H new ATOM 0 HB2 ARG A 36 -7.366 -6.423 -5.669 1.00 0.96 H new ATOM 0 HB3 ARG A 36 -5.941 -6.918 -6.561 1.00 0.96 H new ATOM 0 HG2 ARG A 36 -6.158 -9.220 -5.608 1.00 1.61 H new ATOM 0 HG3 ARG A 36 -7.599 -8.720 -4.746 1.00 1.61 H new ATOM 0 HD2 ARG A 36 -8.549 -9.709 -6.624 1.00 2.16 H new ATOM 0 HD3 ARG A 36 -8.479 -8.039 -7.150 1.00 2.16 H new ATOM 0 HE ARG A 36 -6.018 -9.387 -7.817 1.00 3.55 H new ATOM 0 HH11 ARG A 36 -9.376 -9.092 -8.972 1.00 4.55 H new ATOM 0 HH12 ARG A 36 -8.922 -9.589 -10.605 1.00 4.55 H new ATOM 0 HH21 ARG A 36 -5.532 -10.035 -9.812 1.00 6.06 H new ATOM 0 HH22 ARG A 36 -6.764 -10.119 -11.075 1.00 6.06 H new ATOM 538 N THR A 37 -5.198 -8.798 -3.076 1.00 0.69 N ATOM 539 CA THR A 37 -4.366 -9.786 -2.376 1.00 0.73 C ATOM 540 C THR A 37 -5.183 -11.063 -2.114 1.00 0.81 C ATOM 541 O THR A 37 -6.404 -10.962 -2.011 1.00 0.83 O ATOM 542 CB THR A 37 -3.845 -9.142 -1.090 1.00 0.65 C ATOM 543 OG1 THR A 37 -3.166 -10.126 -0.364 1.00 0.79 O ATOM 544 CG2 THR A 37 -4.921 -8.514 -0.202 1.00 0.58 C ATOM 0 H THR A 37 -6.180 -8.835 -2.804 1.00 0.69 H new ATOM 0 HA THR A 37 -3.510 -10.084 -2.981 1.00 0.73 H new ATOM 0 HB THR A 37 -3.199 -8.316 -1.389 1.00 0.65 H new ATOM 0 HG1 THR A 37 -2.432 -9.714 0.137 1.00 0.79 H new ATOM 0 HG21 THR A 37 -4.455 -8.084 0.685 1.00 0.58 H new ATOM 0 HG22 THR A 37 -5.439 -7.731 -0.756 1.00 0.58 H new ATOM 0 HG23 THR A 37 -5.636 -9.279 0.099 1.00 0.58 H new ATOM 552 N PRO A 38 -4.559 -12.245 -1.933 1.00 1.00 N ATOM 553 CA PRO A 38 -5.229 -13.429 -1.403 1.00 1.11 C ATOM 554 C PRO A 38 -5.334 -13.437 0.124 1.00 1.15 C ATOM 555 O PRO A 38 -5.858 -14.399 0.683 1.00 1.58 O ATOM 556 CB PRO A 38 -4.357 -14.577 -1.883 1.00 1.29 C ATOM 557 CG PRO A 38 -2.947 -14.009 -1.801 1.00 1.28 C ATOM 558 CD PRO A 38 -3.182 -12.576 -2.272 1.00 1.22 C ATOM 0 HA PRO A 38 -6.263 -13.483 -1.745 1.00 1.11 H new ATOM 0 HB2 PRO A 38 -4.472 -15.459 -1.253 1.00 1.29 H new ATOM 0 HB3 PRO A 38 -4.611 -14.876 -2.900 1.00 1.29 H new ATOM 0 HG2 PRO A 38 -2.544 -14.050 -0.789 1.00 1.28 H new ATOM 0 HG3 PRO A 38 -2.249 -14.545 -2.444 1.00 1.28 H new ATOM 0 HD2 PRO A 38 -2.488 -11.890 -1.786 1.00 1.22 H new ATOM 0 HD3 PRO A 38 -3.016 -12.489 -3.346 1.00 1.22 H new ATOM 566 N VAL A 39 -4.802 -12.411 0.796 1.00 0.89 N ATOM 567 CA VAL A 39 -4.803 -12.311 2.278 1.00 0.92 C ATOM 568 C VAL A 39 -5.860 -11.376 2.875 1.00 0.85 C ATOM 569 O VAL A 39 -5.999 -11.356 4.095 1.00 0.93 O ATOM 570 CB VAL A 39 -3.409 -11.969 2.870 1.00 1.00 C ATOM 571 CG1 VAL A 39 -2.305 -12.755 2.146 1.00 1.19 C ATOM 572 CG2 VAL A 39 -3.100 -10.460 2.916 1.00 0.94 C ATOM 0 H VAL A 39 -4.355 -11.619 0.335 1.00 0.89 H new ATOM 0 HA VAL A 39 -5.079 -13.322 2.578 1.00 0.92 H new ATOM 0 HB VAL A 39 -3.436 -12.283 3.913 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -1.336 -12.501 2.576 1.00 1.19 H new ATOM 0 HG12 VAL A 39 -2.484 -13.824 2.261 1.00 1.19 H new ATOM 0 HG13 VAL A 39 -2.311 -12.498 1.087 1.00 1.19 H new ATOM 0 HG21 VAL A 39 -2.109 -10.304 3.342 1.00 0.94 H new ATOM 0 HG22 VAL A 39 -3.129 -10.052 1.906 1.00 0.94 H new ATOM 0 HG23 VAL A 39 -3.843 -9.955 3.533 1.00 0.94 H new ATOM 582 N ALA A 40 -6.621 -10.629 2.066 1.00 0.81 N ATOM 583 CA ALA A 40 -7.611 -9.668 2.567 1.00 0.74 C ATOM 584 C ALA A 40 -8.764 -9.414 1.587 1.00 0.89 C ATOM 585 O ALA A 40 -8.635 -9.682 0.394 1.00 1.25 O ATOM 586 CB ALA A 40 -6.912 -8.361 2.944 1.00 0.89 C ATOM 0 H ALA A 40 -6.568 -10.673 1.048 1.00 0.81 H new ATOM 0 HA ALA A 40 -8.070 -10.109 3.452 1.00 0.74 H new ATOM 0 HB1 ALA A 40 -7.648 -7.649 3.316 1.00 0.89 H new ATOM 0 HB2 ALA A 40 -6.171 -8.555 3.720 1.00 0.89 H new ATOM 0 HB3 ALA A 40 -6.417 -7.946 2.066 1.00 0.89 H new ATOM 592 N GLU A 41 -9.878 -8.926 2.130 1.00 0.81 N ATOM 593 CA GLU A 41 -11.164 -8.784 1.452 1.00 0.88 C ATOM 594 C GLU A 41 -11.355 -7.345 0.942 1.00 0.80 C ATOM 595 O GLU A 41 -11.145 -7.049 -0.234 1.00 1.06 O ATOM 596 CB GLU A 41 -12.261 -9.237 2.446 1.00 0.96 C ATOM 597 CG GLU A 41 -13.522 -9.768 1.761 1.00 1.34 C ATOM 598 CD GLU A 41 -13.199 -11.071 1.035 1.00 2.21 C ATOM 599 OE1 GLU A 41 -12.803 -12.042 1.717 1.00 3.10 O ATOM 600 OE2 GLU A 41 -13.180 -11.088 -0.217 1.00 2.84 O ATOM 0 H GLU A 41 -9.909 -8.605 3.098 1.00 0.81 H new ATOM 0 HA GLU A 41 -11.219 -9.411 0.562 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -11.855 -10.013 3.094 1.00 0.96 H new ATOM 0 HB3 GLU A 41 -12.531 -8.396 3.085 1.00 0.96 H new ATOM 0 HG2 GLU A 41 -14.306 -9.936 2.499 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -13.902 -9.031 1.054 1.00 1.34 H new ATOM 607 N ARG A 42 -11.682 -6.411 1.841 1.00 0.68 N ATOM 608 CA ARG A 42 -11.679 -4.983 1.551 1.00 0.75 C ATOM 609 C ARG A 42 -10.244 -4.464 1.654 1.00 0.68 C ATOM 610 O ARG A 42 -9.644 -4.431 2.724 1.00 0.98 O ATOM 611 CB ARG A 42 -12.675 -4.282 2.482 1.00 0.93 C ATOM 612 CG ARG A 42 -12.532 -2.751 2.512 1.00 1.29 C ATOM 613 CD ARG A 42 -13.664 -2.131 3.338 1.00 1.32 C ATOM 614 NE ARG A 42 -14.939 -2.149 2.595 1.00 1.91 N ATOM 615 CZ ARG A 42 -15.367 -1.214 1.749 1.00 2.90 C ATOM 616 NH1 ARG A 42 -14.709 -0.099 1.521 1.00 3.50 N ATOM 617 NH2 ARG A 42 -16.494 -1.403 1.097 1.00 4.05 N ATOM 0 H ARG A 42 -11.958 -6.632 2.798 1.00 0.68 H new ATOM 0 HA ARG A 42 -12.012 -4.770 0.535 1.00 0.75 H new ATOM 0 HB2 ARG A 42 -13.688 -4.536 2.171 1.00 0.93 H new ATOM 0 HB3 ARG A 42 -12.546 -4.669 3.493 1.00 0.93 H new ATOM 0 HG2 ARG A 42 -11.568 -2.477 2.939 1.00 1.29 H new ATOM 0 HG3 ARG A 42 -12.554 -2.356 1.496 1.00 1.29 H new ATOM 0 HD2 ARG A 42 -13.777 -2.679 4.273 1.00 1.32 H new ATOM 0 HD3 ARG A 42 -13.407 -1.104 3.599 1.00 1.32 H new ATOM 0 HE ARG A 42 -15.549 -2.953 2.743 1.00 1.91 H new ATOM 0 HH11 ARG A 42 -13.828 0.081 2.002 1.00 3.50 H new ATOM 0 HH12 ARG A 42 -15.080 0.586 0.863 1.00 3.50 H new ATOM 0 HH21 ARG A 42 -17.030 -2.259 1.242 1.00 4.05 H new ATOM 0 HH22 ARG A 42 -16.832 -0.694 0.446 1.00 4.05 H new ATOM 631 N VAL A 43 -9.716 -4.034 0.518 1.00 0.58 N ATOM 632 CA VAL A 43 -8.392 -3.424 0.347 1.00 0.63 C ATOM 633 C VAL A 43 -8.558 -1.998 -0.188 1.00 0.76 C ATOM 634 O VAL A 43 -9.354 -1.763 -1.099 1.00 0.97 O ATOM 635 CB VAL A 43 -7.497 -4.306 -0.550 1.00 0.94 C ATOM 636 CG1 VAL A 43 -8.186 -4.687 -1.870 1.00 1.26 C ATOM 637 CG2 VAL A 43 -6.119 -3.677 -0.825 1.00 1.06 C ATOM 0 H VAL A 43 -10.224 -4.102 -0.364 1.00 0.58 H new ATOM 0 HA VAL A 43 -7.883 -3.358 1.309 1.00 0.63 H new ATOM 0 HB VAL A 43 -7.331 -5.220 0.020 1.00 0.94 H new ATOM 0 HG11 VAL A 43 -7.515 -5.307 -2.465 1.00 1.26 H new ATOM 0 HG12 VAL A 43 -9.100 -5.242 -1.657 1.00 1.26 H new ATOM 0 HG13 VAL A 43 -8.432 -3.782 -2.426 1.00 1.26 H new ATOM 0 HG21 VAL A 43 -5.535 -4.343 -1.460 1.00 1.06 H new ATOM 0 HG22 VAL A 43 -6.250 -2.719 -1.327 1.00 1.06 H new ATOM 0 HG23 VAL A 43 -5.594 -3.523 0.118 1.00 1.06 H new ATOM 647 N GLU A 44 -7.844 -1.047 0.417 1.00 0.75 N ATOM 648 CA GLU A 44 -8.022 0.396 0.190 1.00 0.75 C ATOM 649 C GLU A 44 -6.683 1.127 0.258 1.00 0.67 C ATOM 650 O GLU A 44 -5.920 0.891 1.192 1.00 0.70 O ATOM 651 CB GLU A 44 -8.901 1.006 1.295 1.00 0.78 C ATOM 652 CG GLU A 44 -10.304 0.402 1.393 1.00 0.93 C ATOM 653 CD GLU A 44 -11.155 1.069 2.473 1.00 1.12 C ATOM 654 OE1 GLU A 44 -10.657 1.961 3.192 1.00 1.92 O ATOM 655 OE2 GLU A 44 -12.337 0.666 2.559 1.00 2.30 O ATOM 0 H GLU A 44 -7.110 -1.258 1.093 1.00 0.75 H new ATOM 0 HA GLU A 44 -8.479 0.509 -0.793 1.00 0.75 H new ATOM 0 HB2 GLU A 44 -8.397 0.881 2.253 1.00 0.78 H new ATOM 0 HB3 GLU A 44 -8.992 2.078 1.120 1.00 0.78 H new ATOM 0 HG2 GLU A 44 -10.805 0.498 0.430 1.00 0.93 H new ATOM 0 HG3 GLU A 44 -10.223 -0.664 1.606 1.00 0.93 H new ATOM 662 N LEU A 45 -6.391 2.041 -0.677 1.00 0.60 N ATOM 663 CA LEU A 45 -5.246 2.934 -0.556 1.00 0.55 C ATOM 664 C LEU A 45 -5.597 4.168 0.281 1.00 0.51 C ATOM 665 O LEU A 45 -6.480 4.965 -0.055 1.00 0.53 O ATOM 666 CB LEU A 45 -4.726 3.281 -1.955 1.00 0.58 C ATOM 667 CG LEU A 45 -3.277 3.793 -1.891 1.00 0.61 C ATOM 668 CD1 LEU A 45 -2.582 3.504 -3.209 1.00 0.68 C ATOM 669 CD2 LEU A 45 -3.174 5.302 -1.700 1.00 0.71 C ATOM 0 H LEU A 45 -6.939 2.176 -1.527 1.00 0.60 H new ATOM 0 HA LEU A 45 -4.440 2.434 -0.019 1.00 0.55 H new ATOM 0 HB2 LEU A 45 -4.777 2.400 -2.595 1.00 0.58 H new ATOM 0 HB3 LEU A 45 -5.365 4.040 -2.407 1.00 0.58 H new ATOM 0 HG LEU A 45 -2.824 3.286 -1.039 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -1.555 3.866 -3.166 1.00 0.68 H new ATOM 0 HD12 LEU A 45 -2.581 2.429 -3.392 1.00 0.68 H new ATOM 0 HD13 LEU A 45 -3.111 4.009 -4.018 1.00 0.68 H new ATOM 0 HD21 LEU A 45 -2.124 5.593 -1.664 1.00 0.71 H new ATOM 0 HD22 LEU A 45 -3.663 5.808 -2.533 1.00 0.71 H new ATOM 0 HD23 LEU A 45 -3.661 5.585 -0.767 1.00 0.71 H new ATOM 681 N HIS A 46 -4.854 4.318 1.368 1.00 0.50 N ATOM 682 CA HIS A 46 -4.886 5.449 2.285 1.00 0.52 C ATOM 683 C HIS A 46 -3.638 6.350 2.143 1.00 0.55 C ATOM 684 O HIS A 46 -2.562 5.916 1.725 1.00 0.58 O ATOM 685 CB HIS A 46 -5.050 4.945 3.736 1.00 0.54 C ATOM 686 CG HIS A 46 -6.404 4.402 4.158 1.00 0.58 C ATOM 687 ND1 HIS A 46 -6.915 4.502 5.457 1.00 0.66 N ATOM 688 CD2 HIS A 46 -7.345 3.773 3.386 1.00 0.62 C ATOM 689 CE1 HIS A 46 -8.114 3.895 5.433 1.00 0.72 C ATOM 690 NE2 HIS A 46 -8.392 3.428 4.204 1.00 0.70 N ATOM 0 H HIS A 46 -4.173 3.613 1.650 1.00 0.50 H new ATOM 0 HA HIS A 46 -5.746 6.067 2.026 1.00 0.52 H new ATOM 0 HB2 HIS A 46 -4.311 4.162 3.902 1.00 0.54 H new ATOM 0 HB3 HIS A 46 -4.798 5.768 4.405 1.00 0.54 H new ATOM 0 HD2 HIS A 46 -7.276 3.583 2.325 1.00 0.62 H new ATOM 0 HE1 HIS A 46 -8.767 3.796 6.288 1.00 0.72 H new ATOM 0 HE2 HIS A 46 -9.228 2.912 3.929 1.00 0.70 H new ATOM 698 N GLU A 47 -3.803 7.615 2.512 1.00 0.59 N ATOM 699 CA GLU A 47 -2.738 8.599 2.724 1.00 0.66 C ATOM 700 C GLU A 47 -2.508 8.825 4.231 1.00 0.72 C ATOM 701 O GLU A 47 -3.153 8.193 5.076 1.00 0.67 O ATOM 702 CB GLU A 47 -3.091 9.913 2.003 1.00 0.79 C ATOM 703 CG GLU A 47 -4.445 10.463 2.468 1.00 0.94 C ATOM 704 CD GLU A 47 -4.640 11.937 2.149 1.00 1.17 C ATOM 705 OE1 GLU A 47 -3.757 12.728 2.531 1.00 1.62 O ATOM 706 OE2 GLU A 47 -5.725 12.292 1.637 1.00 2.13 O ATOM 0 H GLU A 47 -4.730 8.006 2.681 1.00 0.59 H new ATOM 0 HA GLU A 47 -1.807 8.220 2.303 1.00 0.66 H new ATOM 0 HB2 GLU A 47 -2.313 10.653 2.191 1.00 0.79 H new ATOM 0 HB3 GLU A 47 -3.116 9.743 0.927 1.00 0.79 H new ATOM 0 HG2 GLU A 47 -5.243 9.888 1.998 1.00 0.94 H new ATOM 0 HG3 GLU A 47 -4.538 10.316 3.544 1.00 0.94 H new ATOM 713 N THR A 48 -1.611 9.746 4.594 1.00 0.97 N ATOM 714 CA THR A 48 -1.408 10.227 5.968 1.00 1.10 C ATOM 715 C THR A 48 -0.972 11.688 5.919 1.00 1.22 C ATOM 716 O THR A 48 0.216 12.006 5.893 1.00 1.31 O ATOM 717 CB THR A 48 -0.412 9.356 6.734 1.00 1.22 C ATOM 718 OG1 THR A 48 -0.833 8.017 6.653 1.00 1.24 O ATOM 719 CG2 THR A 48 -0.338 9.729 8.215 1.00 1.44 C ATOM 0 H THR A 48 -0.987 10.192 3.922 1.00 0.97 H new ATOM 0 HA THR A 48 -2.348 10.156 6.516 1.00 1.10 H new ATOM 0 HB THR A 48 0.571 9.507 6.288 1.00 1.22 H new ATOM 0 HG1 THR A 48 -0.202 7.446 7.139 1.00 1.24 H new ATOM 0 HG21 THR A 48 0.382 9.083 8.717 1.00 1.44 H new ATOM 0 HG22 THR A 48 -0.024 10.768 8.313 1.00 1.44 H new ATOM 0 HG23 THR A 48 -1.320 9.602 8.672 1.00 1.44 H new ATOM 727 N PHE A 49 -1.963 12.577 5.884 1.00 1.56 N ATOM 728 CA PHE A 49 -1.789 14.027 5.874 1.00 1.58 C ATOM 729 C PHE A 49 -1.345 14.562 7.244 1.00 1.45 C ATOM 730 O PHE A 49 -1.478 13.899 8.273 1.00 1.35 O ATOM 731 CB PHE A 49 -3.101 14.699 5.416 1.00 1.63 C ATOM 732 CG PHE A 49 -4.316 14.421 6.292 1.00 1.52 C ATOM 733 CD1 PHE A 49 -4.522 15.146 7.483 1.00 2.14 C ATOM 734 CD2 PHE A 49 -5.233 13.419 5.926 1.00 2.29 C ATOM 735 CE1 PHE A 49 -5.620 14.859 8.312 1.00 2.05 C ATOM 736 CE2 PHE A 49 -6.327 13.127 6.757 1.00 2.29 C ATOM 737 CZ PHE A 49 -6.518 13.844 7.946 1.00 1.38 C ATOM 0 H PHE A 49 -2.943 12.297 5.861 1.00 1.56 H new ATOM 0 HA PHE A 49 -0.994 14.272 5.170 1.00 1.58 H new ATOM 0 HB2 PHE A 49 -2.943 15.777 5.375 1.00 1.63 H new ATOM 0 HB3 PHE A 49 -3.323 14.370 4.401 1.00 1.63 H new ATOM 0 HD1 PHE A 49 -3.831 15.928 7.761 1.00 2.14 H new ATOM 0 HD2 PHE A 49 -5.096 12.873 5.004 1.00 2.29 H new ATOM 0 HE1 PHE A 49 -5.772 15.416 9.225 1.00 2.05 H new ATOM 0 HE2 PHE A 49 -7.022 12.349 6.479 1.00 2.29 H new ATOM 0 HZ PHE A 49 -7.359 13.615 8.583 1.00 1.38 H new ATOM 747 N MET A 50 -0.900 15.823 7.268 1.00 1.56 N ATOM 748 CA MET A 50 -0.816 16.625 8.495 1.00 1.58 C ATOM 749 C MET A 50 -1.840 17.765 8.484 1.00 1.65 C ATOM 750 O MET A 50 -2.334 18.169 7.429 1.00 2.12 O ATOM 751 CB MET A 50 0.616 17.123 8.744 1.00 1.76 C ATOM 752 CG MET A 50 1.171 18.057 7.661 1.00 2.62 C ATOM 753 SD MET A 50 2.717 18.866 8.150 1.00 3.13 S ATOM 754 CE MET A 50 3.239 19.460 6.523 1.00 3.58 C ATOM 0 H MET A 50 -0.586 16.319 6.434 1.00 1.56 H new ATOM 0 HA MET A 50 -1.071 15.980 9.336 1.00 1.58 H new ATOM 0 HB2 MET A 50 0.643 17.644 9.701 1.00 1.76 H new ATOM 0 HB3 MET A 50 1.276 16.260 8.832 1.00 1.76 H new ATOM 0 HG2 MET A 50 1.339 17.486 6.748 1.00 2.62 H new ATOM 0 HG3 MET A 50 0.426 18.818 7.429 1.00 2.62 H new ATOM 0 HE1 MET A 50 4.186 19.992 6.616 1.00 3.58 H new ATOM 0 HE2 MET A 50 3.364 18.612 5.849 1.00 3.58 H new ATOM 0 HE3 MET A 50 2.482 20.134 6.122 1.00 3.58 H new ATOM 764 N ARG A 51 -2.161 18.280 9.671 1.00 1.46 N ATOM 765 CA ARG A 51 -3.133 19.354 9.881 1.00 1.59 C ATOM 766 C ARG A 51 -2.812 20.093 11.180 1.00 1.42 C ATOM 767 O ARG A 51 -2.581 19.436 12.195 1.00 1.52 O ATOM 768 CB ARG A 51 -4.551 18.745 9.955 1.00 1.90 C ATOM 769 CG ARG A 51 -5.630 19.647 9.342 1.00 3.01 C ATOM 770 CD ARG A 51 -5.575 19.599 7.811 1.00 2.85 C ATOM 771 NE ARG A 51 -6.686 20.362 7.211 1.00 4.03 N ATOM 772 CZ ARG A 51 -7.184 20.182 5.990 1.00 4.91 C ATOM 773 NH1 ARG A 51 -6.708 19.266 5.171 1.00 5.10 N ATOM 774 NH2 ARG A 51 -8.176 20.941 5.576 1.00 6.08 N ATOM 0 H ARG A 51 -1.739 17.951 10.540 1.00 1.46 H new ATOM 0 HA ARG A 51 -3.085 20.061 9.053 1.00 1.59 H new ATOM 0 HB2 ARG A 51 -4.554 17.785 9.440 1.00 1.90 H new ATOM 0 HB3 ARG A 51 -4.801 18.548 10.998 1.00 1.90 H new ATOM 0 HG2 ARG A 51 -6.614 19.329 9.685 1.00 3.01 H new ATOM 0 HG3 ARG A 51 -5.490 20.673 9.683 1.00 3.01 H new ATOM 0 HD2 ARG A 51 -4.624 20.005 7.466 1.00 2.85 H new ATOM 0 HD3 ARG A 51 -5.620 18.563 7.476 1.00 2.85 H new ATOM 0 HE ARG A 51 -7.110 21.092 7.783 1.00 4.03 H new ATOM 0 HH11 ARG A 51 -5.935 18.669 5.467 1.00 5.10 H new ATOM 0 HH12 ARG A 51 -7.112 19.154 4.241 1.00 5.10 H new ATOM 0 HH21 ARG A 51 -8.558 21.661 6.189 1.00 6.08 H new ATOM 0 HH22 ARG A 51 -8.563 20.809 4.642 1.00 6.08 H new ATOM 788 N GLU A 52 -2.818 21.422 11.156 1.00 1.32 N ATOM 789 CA GLU A 52 -2.835 22.253 12.362 1.00 1.33 C ATOM 790 C GLU A 52 -4.212 22.161 13.030 1.00 1.48 C ATOM 791 O GLU A 52 -5.209 22.002 12.327 1.00 1.68 O ATOM 792 CB GLU A 52 -2.477 23.708 12.006 1.00 1.47 C ATOM 793 CG GLU A 52 -1.119 24.120 12.586 1.00 1.91 C ATOM 794 CD GLU A 52 0.046 23.248 12.121 1.00 2.46 C ATOM 795 OE1 GLU A 52 0.011 22.683 11.003 1.00 3.07 O ATOM 796 OE2 GLU A 52 1.011 23.083 12.896 1.00 3.40 O ATOM 0 H GLU A 52 -2.811 21.961 10.290 1.00 1.32 H new ATOM 0 HA GLU A 52 -2.088 21.891 13.069 1.00 1.33 H new ATOM 0 HB2 GLU A 52 -2.459 23.823 10.922 1.00 1.47 H new ATOM 0 HB3 GLU A 52 -3.251 24.376 12.384 1.00 1.47 H new ATOM 0 HG2 GLU A 52 -0.917 25.155 12.311 1.00 1.91 H new ATOM 0 HG3 GLU A 52 -1.174 24.084 13.674 1.00 1.91 H new ATOM 803 N VAL A 53 -4.262 22.251 14.364 1.00 1.52 N ATOM 804 CA VAL A 53 -5.538 22.168 15.118 1.00 1.71 C ATOM 805 C VAL A 53 -5.615 23.042 16.374 1.00 1.96 C ATOM 806 O VAL A 53 -6.612 23.715 16.619 1.00 2.91 O ATOM 807 CB VAL A 53 -5.963 20.704 15.357 1.00 1.63 C ATOM 808 CG1 VAL A 53 -5.010 20.007 16.328 1.00 2.59 C ATOM 809 CG2 VAL A 53 -7.415 20.584 15.848 1.00 3.04 C ATOM 0 H VAL A 53 -3.439 22.381 14.952 1.00 1.52 H new ATOM 0 HA VAL A 53 -6.285 22.619 14.465 1.00 1.71 H new ATOM 0 HB VAL A 53 -5.908 20.203 14.391 1.00 1.63 H new ATOM 0 HG11 VAL A 53 -5.333 18.977 16.478 1.00 2.59 H new ATOM 0 HG12 VAL A 53 -4.001 20.014 15.916 1.00 2.59 H new ATOM 0 HG13 VAL A 53 -5.016 20.532 17.283 1.00 2.59 H new ATOM 0 HG21 VAL A 53 -7.662 19.533 16.000 1.00 3.04 H new ATOM 0 HG22 VAL A 53 -7.527 21.123 16.789 1.00 3.04 H new ATOM 0 HG23 VAL A 53 -8.087 21.011 15.104 1.00 3.04 H new ATOM 819 N GLU A 54 -4.519 23.082 17.117 1.00 2.12 N ATOM 820 CA GLU A 54 -4.300 23.915 18.309 1.00 2.34 C ATOM 821 C GLU A 54 -3.163 24.922 18.038 1.00 2.10 C ATOM 822 O GLU A 54 -2.337 25.209 18.895 1.00 2.28 O ATOM 823 CB GLU A 54 -4.040 22.966 19.499 1.00 2.67 C ATOM 824 CG GLU A 54 -4.117 23.613 20.898 1.00 3.37 C ATOM 825 CD GLU A 54 -2.754 23.847 21.562 1.00 3.91 C ATOM 826 OE1 GLU A 54 -1.879 22.953 21.485 1.00 4.41 O ATOM 827 OE2 GLU A 54 -2.524 24.934 22.142 1.00 4.45 O ATOM 0 H GLU A 54 -3.707 22.504 16.899 1.00 2.12 H new ATOM 0 HA GLU A 54 -5.170 24.523 18.557 1.00 2.34 H new ATOM 0 HB2 GLU A 54 -4.763 22.151 19.455 1.00 2.67 H new ATOM 0 HB3 GLU A 54 -3.052 22.523 19.378 1.00 2.67 H new ATOM 0 HG2 GLU A 54 -4.636 24.568 20.816 1.00 3.37 H new ATOM 0 HG3 GLU A 54 -4.720 22.977 21.547 1.00 3.37 H new ATOM 834 N GLY A 55 -3.008 25.356 16.779 1.00 1.85 N ATOM 835 CA GLY A 55 -1.805 26.057 16.296 1.00 1.78 C ATOM 836 C GLY A 55 -0.596 25.130 16.105 1.00 1.68 C ATOM 837 O GLY A 55 0.367 25.508 15.449 1.00 1.88 O ATOM 0 H GLY A 55 -3.720 25.230 16.059 1.00 1.85 H new ATOM 0 HA2 GLY A 55 -2.033 26.544 15.348 1.00 1.78 H new ATOM 0 HA3 GLY A 55 -1.543 26.843 17.004 1.00 1.78 H new ATOM 841 N LYS A 56 -0.653 23.911 16.650 1.00 1.61 N ATOM 842 CA LYS A 56 0.267 22.800 16.447 1.00 1.65 C ATOM 843 C LYS A 56 -0.363 21.748 15.515 1.00 1.25 C ATOM 844 O LYS A 56 -1.598 21.684 15.390 1.00 1.25 O ATOM 845 CB LYS A 56 0.602 22.158 17.815 1.00 2.22 C ATOM 846 CG LYS A 56 0.360 22.972 19.101 1.00 2.55 C ATOM 847 CD LYS A 56 1.239 24.228 19.262 1.00 4.09 C ATOM 848 CE LYS A 56 0.545 25.303 20.116 1.00 4.49 C ATOM 849 NZ LYS A 56 0.076 24.794 21.425 1.00 4.65 N ATOM 0 H LYS A 56 -1.404 23.662 17.294 1.00 1.61 H new ATOM 0 HA LYS A 56 1.181 23.172 15.983 1.00 1.65 H new ATOM 0 HB2 LYS A 56 0.026 21.236 17.896 1.00 2.22 H new ATOM 0 HB3 LYS A 56 1.655 21.876 17.797 1.00 2.22 H new ATOM 0 HG2 LYS A 56 -0.687 23.276 19.127 1.00 2.55 H new ATOM 0 HG3 LYS A 56 0.525 22.321 19.960 1.00 2.55 H new ATOM 0 HD2 LYS A 56 2.187 23.952 19.724 1.00 4.09 H new ATOM 0 HD3 LYS A 56 1.471 24.638 18.279 1.00 4.09 H new ATOM 0 HE2 LYS A 56 1.237 26.129 20.281 1.00 4.49 H new ATOM 0 HE3 LYS A 56 -0.305 25.704 19.564 1.00 4.49 H new ATOM 0 HZ1 LYS A 56 -0.668 25.420 21.794 1.00 4.65 H new ATOM 0 HZ2 LYS A 56 -0.306 23.834 21.308 1.00 4.65 H new ATOM 0 HZ3 LYS A 56 0.872 24.771 22.094 1.00 4.65 H new ATOM 863 N LYS A 57 0.464 20.887 14.908 1.00 1.35 N ATOM 864 CA LYS A 57 0.012 19.850 13.971 1.00 1.44 C ATOM 865 C LYS A 57 -0.289 18.480 14.597 1.00 1.35 C ATOM 866 O LYS A 57 0.404 18.044 15.509 1.00 1.45 O ATOM 867 CB LYS A 57 0.950 19.709 12.764 1.00 2.07 C ATOM 868 CG LYS A 57 2.411 19.367 13.095 1.00 2.63 C ATOM 869 CD LYS A 57 3.368 19.890 12.012 1.00 3.06 C ATOM 870 CE LYS A 57 3.415 21.429 12.025 1.00 2.92 C ATOM 871 NZ LYS A 57 2.672 22.061 10.907 1.00 3.68 N ATOM 0 H LYS A 57 1.473 20.890 15.054 1.00 1.35 H new ATOM 0 HA LYS A 57 -0.953 20.221 13.625 1.00 1.44 H new ATOM 0 HB2 LYS A 57 0.554 18.934 12.107 1.00 2.07 H new ATOM 0 HB3 LYS A 57 0.933 20.643 12.202 1.00 2.07 H new ATOM 0 HG2 LYS A 57 2.678 19.800 14.059 1.00 2.63 H new ATOM 0 HG3 LYS A 57 2.521 18.287 13.189 1.00 2.63 H new ATOM 0 HD2 LYS A 57 4.368 19.489 12.179 1.00 3.06 H new ATOM 0 HD3 LYS A 57 3.043 19.539 11.032 1.00 3.06 H new ATOM 0 HE2 LYS A 57 3.006 21.788 12.969 1.00 2.92 H new ATOM 0 HE3 LYS A 57 4.455 21.752 11.986 1.00 2.92 H new ATOM 0 HZ1 LYS A 57 2.818 23.090 10.932 1.00 3.68 H new ATOM 0 HZ2 LYS A 57 3.019 21.684 10.002 1.00 3.68 H new ATOM 0 HZ3 LYS A 57 1.658 21.852 11.003 1.00 3.68 H new ATOM 885 N VAL A 58 -1.275 17.793 14.023 1.00 1.35 N ATOM 886 CA VAL A 58 -1.578 16.370 14.211 1.00 1.23 C ATOM 887 C VAL A 58 -1.580 15.709 12.827 1.00 1.19 C ATOM 888 O VAL A 58 -2.042 16.315 11.856 1.00 1.51 O ATOM 889 CB VAL A 58 -2.940 16.186 14.920 1.00 1.36 C ATOM 890 CG1 VAL A 58 -3.346 14.708 15.048 1.00 1.72 C ATOM 891 CG2 VAL A 58 -2.923 16.810 16.327 1.00 1.65 C ATOM 0 H VAL A 58 -1.924 18.239 13.375 1.00 1.35 H new ATOM 0 HA VAL A 58 -0.827 15.903 14.847 1.00 1.23 H new ATOM 0 HB VAL A 58 -3.672 16.695 14.292 1.00 1.36 H new ATOM 0 HG11 VAL A 58 -4.309 14.638 15.553 1.00 1.72 H new ATOM 0 HG12 VAL A 58 -3.424 14.265 14.055 1.00 1.72 H new ATOM 0 HG13 VAL A 58 -2.593 14.173 15.627 1.00 1.72 H new ATOM 0 HG21 VAL A 58 -3.894 16.665 16.801 1.00 1.65 H new ATOM 0 HG22 VAL A 58 -2.150 16.331 16.928 1.00 1.65 H new ATOM 0 HG23 VAL A 58 -2.713 17.877 16.249 1.00 1.65 H new ATOM 901 N MET A 59 -1.038 14.494 12.730 1.00 1.02 N ATOM 902 CA MET A 59 -1.058 13.656 11.526 1.00 1.04 C ATOM 903 C MET A 59 -2.284 12.732 11.543 1.00 0.99 C ATOM 904 O MET A 59 -2.587 12.136 12.575 1.00 1.17 O ATOM 905 CB MET A 59 0.236 12.836 11.425 1.00 1.23 C ATOM 906 CG MET A 59 1.437 13.689 10.991 1.00 2.08 C ATOM 907 SD MET A 59 1.940 15.021 12.117 1.00 3.33 S ATOM 908 CE MET A 59 3.340 15.650 11.177 1.00 3.75 C ATOM 0 H MET A 59 -0.557 14.050 13.512 1.00 1.02 H new ATOM 0 HA MET A 59 -1.124 14.302 10.650 1.00 1.04 H new ATOM 0 HB2 MET A 59 0.449 12.378 12.391 1.00 1.23 H new ATOM 0 HB3 MET A 59 0.094 12.024 10.712 1.00 1.23 H new ATOM 0 HG2 MET A 59 2.290 13.026 10.845 1.00 2.08 H new ATOM 0 HG3 MET A 59 1.208 14.131 10.022 1.00 2.08 H new ATOM 0 HE1 MET A 59 4.030 16.159 11.849 1.00 3.75 H new ATOM 0 HE2 MET A 59 3.853 14.821 10.690 1.00 3.75 H new ATOM 0 HE3 MET A 59 2.985 16.351 10.422 1.00 3.75 H new ATOM 918 N GLY A 60 -2.983 12.601 10.411 1.00 1.07 N ATOM 919 CA GLY A 60 -4.195 11.781 10.278 1.00 1.14 C ATOM 920 C GLY A 60 -4.258 11.030 8.953 1.00 1.16 C ATOM 921 O GLY A 60 -3.761 11.510 7.939 1.00 1.60 O ATOM 0 H GLY A 60 -2.719 13.070 9.545 1.00 1.07 H new ATOM 0 HA2 GLY A 60 -4.235 11.065 11.099 1.00 1.14 H new ATOM 0 HA3 GLY A 60 -5.073 12.421 10.370 1.00 1.14 H new ATOM 925 N MET A 61 -4.881 9.850 8.959 1.00 0.88 N ATOM 926 CA MET A 61 -5.041 8.975 7.787 1.00 0.83 C ATOM 927 C MET A 61 -6.428 9.118 7.147 1.00 0.84 C ATOM 928 O MET A 61 -7.371 9.584 7.785 1.00 0.97 O ATOM 929 CB MET A 61 -4.811 7.502 8.175 1.00 0.94 C ATOM 930 CG MET A 61 -3.471 7.241 8.873 1.00 1.04 C ATOM 931 SD MET A 61 -3.435 7.599 10.651 1.00 1.75 S ATOM 932 CE MET A 61 -1.736 7.081 10.987 1.00 1.76 C ATOM 0 H MET A 61 -5.302 9.462 9.803 1.00 0.88 H new ATOM 0 HA MET A 61 -4.294 9.285 7.057 1.00 0.83 H new ATOM 0 HB2 MET A 61 -5.619 7.180 8.831 1.00 0.94 H new ATOM 0 HB3 MET A 61 -4.866 6.888 7.276 1.00 0.94 H new ATOM 0 HG2 MET A 61 -3.202 6.195 8.725 1.00 1.04 H new ATOM 0 HG3 MET A 61 -2.703 7.840 8.384 1.00 1.04 H new ATOM 0 HE1 MET A 61 -1.514 7.225 12.044 1.00 1.76 H new ATOM 0 HE2 MET A 61 -1.619 6.028 10.732 1.00 1.76 H new ATOM 0 HE3 MET A 61 -1.048 7.678 10.388 1.00 1.76 H new ATOM 942 N ARG A 62 -6.568 8.652 5.901 1.00 0.75 N ATOM 943 CA ARG A 62 -7.841 8.512 5.169 1.00 0.76 C ATOM 944 C ARG A 62 -7.636 7.732 3.862 1.00 0.66 C ATOM 945 O ARG A 62 -6.552 7.853 3.288 1.00 0.63 O ATOM 946 CB ARG A 62 -8.487 9.881 4.853 1.00 1.03 C ATOM 947 CG ARG A 62 -7.575 10.818 4.039 1.00 1.86 C ATOM 948 CD ARG A 62 -8.321 11.993 3.402 1.00 1.97 C ATOM 949 NE ARG A 62 -9.069 11.544 2.210 1.00 2.98 N ATOM 950 CZ ARG A 62 -8.958 11.999 0.965 1.00 3.82 C ATOM 951 NH1 ARG A 62 -8.110 12.948 0.635 1.00 4.31 N ATOM 952 NH2 ARG A 62 -9.700 11.461 0.022 1.00 4.97 N ATOM 0 H ARG A 62 -5.766 8.348 5.348 1.00 0.75 H new ATOM 0 HA ARG A 62 -8.517 7.960 5.822 1.00 0.76 H new ATOM 0 HB2 ARG A 62 -9.413 9.718 4.301 1.00 1.03 H new ATOM 0 HB3 ARG A 62 -8.756 10.371 5.789 1.00 1.03 H new ATOM 0 HG2 ARG A 62 -6.791 11.205 4.690 1.00 1.86 H new ATOM 0 HG3 ARG A 62 -7.083 10.242 3.255 1.00 1.86 H new ATOM 0 HD2 ARG A 62 -9.008 12.431 4.126 1.00 1.97 H new ATOM 0 HD3 ARG A 62 -7.613 12.773 3.122 1.00 1.97 H new ATOM 0 HE ARG A 62 -9.749 10.799 2.359 1.00 2.98 H new ATOM 0 HH11 ARG A 62 -7.507 13.363 1.345 1.00 4.31 H new ATOM 0 HH12 ARG A 62 -8.055 13.269 -0.331 1.00 4.31 H new ATOM 0 HH21 ARG A 62 -10.348 10.707 0.251 1.00 4.97 H new ATOM 0 HH22 ARG A 62 -9.628 11.798 -0.938 1.00 4.97 H new ATOM 966 N PRO A 63 -8.646 7.013 3.331 1.00 0.66 N ATOM 967 CA PRO A 63 -8.591 6.511 1.970 1.00 0.61 C ATOM 968 C PRO A 63 -8.690 7.645 0.947 1.00 0.67 C ATOM 969 O PRO A 63 -9.343 8.668 1.181 1.00 0.76 O ATOM 970 CB PRO A 63 -9.704 5.486 1.801 1.00 0.66 C ATOM 971 CG PRO A 63 -10.572 5.625 3.044 1.00 0.82 C ATOM 972 CD PRO A 63 -9.908 6.663 3.957 1.00 0.73 C ATOM 0 HA PRO A 63 -7.628 6.033 1.787 1.00 0.61 H new ATOM 0 HB2 PRO A 63 -10.280 5.677 0.896 1.00 0.66 H new ATOM 0 HB3 PRO A 63 -9.300 4.477 1.715 1.00 0.66 H new ATOM 0 HG2 PRO A 63 -11.580 5.941 2.774 1.00 0.82 H new ATOM 0 HG3 PRO A 63 -10.664 4.667 3.556 1.00 0.82 H new ATOM 0 HD2 PRO A 63 -10.542 7.542 4.071 1.00 0.73 H new ATOM 0 HD3 PRO A 63 -9.746 6.255 4.955 1.00 0.73 H new ATOM 980 N VAL A 64 -8.054 7.411 -0.199 1.00 0.66 N ATOM 981 CA VAL A 64 -8.010 8.288 -1.383 1.00 0.68 C ATOM 982 C VAL A 64 -8.450 7.513 -2.633 1.00 0.63 C ATOM 983 O VAL A 64 -8.354 6.285 -2.643 1.00 0.57 O ATOM 984 CB VAL A 64 -6.593 8.873 -1.627 1.00 0.66 C ATOM 985 CG1 VAL A 64 -6.430 10.170 -0.834 1.00 0.89 C ATOM 986 CG2 VAL A 64 -5.447 7.896 -1.318 1.00 0.60 C ATOM 0 H VAL A 64 -7.521 6.553 -0.342 1.00 0.66 H new ATOM 0 HA VAL A 64 -8.693 9.116 -1.190 1.00 0.68 H new ATOM 0 HB VAL A 64 -6.519 9.073 -2.696 1.00 0.66 H new ATOM 0 HG11 VAL A 64 -5.435 10.579 -1.006 1.00 0.89 H new ATOM 0 HG12 VAL A 64 -7.180 10.891 -1.158 1.00 0.89 H new ATOM 0 HG13 VAL A 64 -6.559 9.965 0.229 1.00 0.89 H new ATOM 0 HG21 VAL A 64 -4.491 8.382 -1.515 1.00 0.60 H new ATOM 0 HG22 VAL A 64 -5.494 7.599 -0.270 1.00 0.60 H new ATOM 0 HG23 VAL A 64 -5.541 7.013 -1.950 1.00 0.60 H new ATOM 996 N PRO A 65 -8.915 8.199 -3.699 1.00 0.70 N ATOM 997 CA PRO A 65 -9.333 7.545 -4.934 1.00 0.71 C ATOM 998 C PRO A 65 -8.155 7.002 -5.753 1.00 0.59 C ATOM 999 O PRO A 65 -8.389 6.131 -6.588 1.00 0.61 O ATOM 1000 CB PRO A 65 -10.106 8.615 -5.713 1.00 0.85 C ATOM 1001 CG PRO A 65 -9.442 9.915 -5.268 1.00 0.86 C ATOM 1002 CD PRO A 65 -9.125 9.640 -3.799 1.00 0.81 C ATOM 0 HA PRO A 65 -9.942 6.667 -4.718 1.00 0.71 H new ATOM 0 HB2 PRO A 65 -10.023 8.468 -6.790 1.00 0.85 H new ATOM 0 HB3 PRO A 65 -11.169 8.601 -5.470 1.00 0.85 H new ATOM 0 HG2 PRO A 65 -8.542 10.128 -5.844 1.00 0.86 H new ATOM 0 HG3 PRO A 65 -10.106 10.771 -5.386 1.00 0.86 H new ATOM 0 HD2 PRO A 65 -8.237 10.187 -3.482 1.00 0.81 H new ATOM 0 HD3 PRO A 65 -9.944 9.961 -3.156 1.00 0.81 H new ATOM 1010 N PHE A 66 -6.919 7.481 -5.529 1.00 0.52 N ATOM 1011 CA PHE A 66 -5.708 7.052 -6.231 1.00 0.46 C ATOM 1012 C PHE A 66 -4.450 7.700 -5.639 1.00 0.50 C ATOM 1013 O PHE A 66 -4.511 8.690 -4.907 1.00 0.59 O ATOM 1014 CB PHE A 66 -5.794 7.284 -7.756 1.00 0.49 C ATOM 1015 CG PHE A 66 -5.963 8.716 -8.223 1.00 0.58 C ATOM 1016 CD1 PHE A 66 -4.838 9.540 -8.419 1.00 1.53 C ATOM 1017 CD2 PHE A 66 -7.247 9.209 -8.524 1.00 1.80 C ATOM 1018 CE1 PHE A 66 -4.997 10.849 -8.905 1.00 1.56 C ATOM 1019 CE2 PHE A 66 -7.405 10.519 -9.011 1.00 1.89 C ATOM 1020 CZ PHE A 66 -6.279 11.340 -9.204 1.00 0.88 C ATOM 0 H PHE A 66 -6.735 8.201 -4.830 1.00 0.52 H new ATOM 0 HA PHE A 66 -5.630 5.975 -6.080 1.00 0.46 H new ATOM 0 HB2 PHE A 66 -4.889 6.883 -8.212 1.00 0.49 H new ATOM 0 HB3 PHE A 66 -6.630 6.701 -8.141 1.00 0.49 H new ATOM 0 HD1 PHE A 66 -3.850 9.165 -8.195 1.00 1.53 H new ATOM 0 HD2 PHE A 66 -8.113 8.580 -8.381 1.00 1.80 H new ATOM 0 HE1 PHE A 66 -4.132 11.479 -9.049 1.00 1.56 H new ATOM 0 HE2 PHE A 66 -8.392 10.895 -9.237 1.00 1.89 H new ATOM 0 HZ PHE A 66 -6.400 12.345 -9.581 1.00 0.88 H new ATOM 1030 N LEU A 67 -3.308 7.139 -6.034 1.00 0.50 N ATOM 1031 CA LEU A 67 -1.979 7.741 -6.061 1.00 0.53 C ATOM 1032 C LEU A 67 -1.477 7.771 -7.516 1.00 0.50 C ATOM 1033 O LEU A 67 -2.090 7.183 -8.408 1.00 0.50 O ATOM 1034 CB LEU A 67 -1.030 6.896 -5.182 1.00 0.55 C ATOM 1035 CG LEU A 67 -0.602 7.570 -3.868 1.00 0.71 C ATOM 1036 CD1 LEU A 67 0.382 6.619 -3.172 1.00 1.05 C ATOM 1037 CD2 LEU A 67 0.120 8.912 -4.083 1.00 1.00 C ATOM 0 H LEU A 67 -3.289 6.176 -6.370 1.00 0.50 H new ATOM 0 HA LEU A 67 -2.011 8.759 -5.673 1.00 0.53 H new ATOM 0 HB2 LEU A 67 -1.519 5.951 -4.947 1.00 0.55 H new ATOM 0 HB3 LEU A 67 -0.137 6.658 -5.760 1.00 0.55 H new ATOM 0 HG LEU A 67 -1.500 7.771 -3.284 1.00 0.71 H new ATOM 0 HD11 LEU A 67 0.712 7.061 -2.232 1.00 1.05 H new ATOM 0 HD12 LEU A 67 -0.111 5.667 -2.973 1.00 1.05 H new ATOM 0 HD13 LEU A 67 1.245 6.452 -3.817 1.00 1.05 H new ATOM 0 HD21 LEU A 67 0.395 9.336 -3.117 1.00 1.00 H new ATOM 0 HD22 LEU A 67 1.019 8.750 -4.678 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -0.542 9.602 -4.606 1.00 1.00 H new ATOM 1049 N GLU A 68 -0.307 8.359 -7.758 1.00 0.52 N ATOM 1050 CA GLU A 68 0.400 8.232 -9.028 1.00 0.51 C ATOM 1051 C GLU A 68 1.903 8.408 -8.855 1.00 0.58 C ATOM 1052 O GLU A 68 2.367 8.863 -7.812 1.00 0.66 O ATOM 1053 CB GLU A 68 -0.177 9.186 -10.078 1.00 0.65 C ATOM 1054 CG GLU A 68 0.128 10.661 -9.840 1.00 0.81 C ATOM 1055 CD GLU A 68 -0.754 11.440 -10.804 1.00 1.02 C ATOM 1056 OE1 GLU A 68 -1.980 11.499 -10.577 1.00 1.96 O ATOM 1057 OE2 GLU A 68 -0.280 11.825 -11.892 1.00 2.02 O ATOM 0 H GLU A 68 0.179 8.940 -7.074 1.00 0.52 H new ATOM 0 HA GLU A 68 0.246 7.217 -9.395 1.00 0.51 H new ATOM 0 HB2 GLU A 68 0.210 8.903 -11.057 1.00 0.65 H new ATOM 0 HB3 GLU A 68 -1.258 9.054 -10.113 1.00 0.65 H new ATOM 0 HG2 GLU A 68 -0.083 10.940 -8.808 1.00 0.81 H new ATOM 0 HG3 GLU A 68 1.182 10.874 -10.019 1.00 0.81 H new ATOM 1064 N VAL A 69 2.639 8.006 -9.886 1.00 0.64 N ATOM 1065 CA VAL A 69 4.095 7.909 -9.906 1.00 0.70 C ATOM 1066 C VAL A 69 4.595 8.242 -11.323 1.00 0.71 C ATOM 1067 O VAL A 69 4.029 7.727 -12.293 1.00 0.74 O ATOM 1068 CB VAL A 69 4.558 6.476 -9.516 1.00 0.82 C ATOM 1069 CG1 VAL A 69 6.078 6.410 -9.332 1.00 0.84 C ATOM 1070 CG2 VAL A 69 3.882 5.922 -8.246 1.00 0.95 C ATOM 0 H VAL A 69 2.217 7.726 -10.772 1.00 0.64 H new ATOM 0 HA VAL A 69 4.508 8.612 -9.183 1.00 0.70 H new ATOM 0 HB VAL A 69 4.249 5.850 -10.353 1.00 0.82 H new ATOM 0 HG11 VAL A 69 6.368 5.395 -9.060 1.00 0.84 H new ATOM 0 HG12 VAL A 69 6.570 6.691 -10.263 1.00 0.84 H new ATOM 0 HG13 VAL A 69 6.379 7.097 -8.541 1.00 0.84 H new ATOM 0 HG21 VAL A 69 4.258 4.920 -8.041 1.00 0.95 H new ATOM 0 HG22 VAL A 69 4.106 6.573 -7.401 1.00 0.95 H new ATOM 0 HG23 VAL A 69 2.803 5.881 -8.396 1.00 0.95 H new ATOM 1080 N PRO A 70 5.640 9.082 -11.479 1.00 0.72 N ATOM 1081 CA PRO A 70 6.196 9.418 -12.785 1.00 0.75 C ATOM 1082 C PRO A 70 6.925 8.218 -13.421 1.00 0.74 C ATOM 1083 O PRO A 70 7.213 7.243 -12.728 1.00 0.75 O ATOM 1084 CB PRO A 70 7.149 10.591 -12.528 1.00 0.82 C ATOM 1085 CG PRO A 70 7.612 10.358 -11.092 1.00 0.80 C ATOM 1086 CD PRO A 70 6.364 9.787 -10.427 1.00 0.74 C ATOM 0 HA PRO A 70 5.415 9.685 -13.497 1.00 0.75 H new ATOM 0 HB2 PRO A 70 7.986 10.590 -13.226 1.00 0.82 H new ATOM 0 HB3 PRO A 70 6.644 11.551 -12.637 1.00 0.82 H new ATOM 0 HG2 PRO A 70 8.450 9.663 -11.044 1.00 0.80 H new ATOM 0 HG3 PRO A 70 7.937 11.283 -10.616 1.00 0.80 H new ATOM 0 HD2 PRO A 70 6.629 9.111 -9.614 1.00 0.74 H new ATOM 0 HD3 PRO A 70 5.753 10.580 -9.996 1.00 0.74 H new ATOM 1094 N PRO A 71 7.237 8.280 -14.728 1.00 0.76 N ATOM 1095 CA PRO A 71 7.993 7.247 -15.426 1.00 0.75 C ATOM 1096 C PRO A 71 9.402 7.065 -14.853 1.00 0.82 C ATOM 1097 O PRO A 71 10.038 8.025 -14.425 1.00 0.93 O ATOM 1098 CB PRO A 71 7.995 7.649 -16.901 1.00 0.81 C ATOM 1099 CG PRO A 71 7.651 9.134 -16.917 1.00 0.90 C ATOM 1100 CD PRO A 71 6.835 9.333 -15.647 1.00 0.83 C ATOM 0 HA PRO A 71 7.531 6.268 -15.297 1.00 0.75 H new ATOM 0 HB2 PRO A 71 8.968 7.466 -17.357 1.00 0.81 H new ATOM 0 HB3 PRO A 71 7.265 7.071 -17.467 1.00 0.81 H new ATOM 0 HG2 PRO A 71 8.549 9.752 -16.916 1.00 0.90 H new ATOM 0 HG3 PRO A 71 7.080 9.402 -17.806 1.00 0.90 H new ATOM 0 HD2 PRO A 71 7.022 10.316 -15.216 1.00 0.83 H new ATOM 0 HD3 PRO A 71 5.767 9.276 -15.859 1.00 0.83 H new ATOM 1108 N LYS A 72 9.874 5.808 -14.847 1.00 0.81 N ATOM 1109 CA LYS A 72 11.228 5.362 -14.445 1.00 0.91 C ATOM 1110 C LYS A 72 11.535 5.500 -12.939 1.00 1.03 C ATOM 1111 O LYS A 72 12.584 5.051 -12.471 1.00 1.26 O ATOM 1112 CB LYS A 72 12.326 6.052 -15.282 1.00 0.97 C ATOM 1113 CG LYS A 72 12.003 6.267 -16.767 1.00 0.91 C ATOM 1114 CD LYS A 72 11.566 5.018 -17.545 1.00 1.02 C ATOM 1115 CE LYS A 72 12.725 4.133 -18.002 1.00 1.87 C ATOM 1116 NZ LYS A 72 12.221 3.053 -18.883 1.00 2.11 N ATOM 0 H LYS A 72 9.289 5.025 -15.139 1.00 0.81 H new ATOM 0 HA LYS A 72 11.233 4.292 -14.652 1.00 0.91 H new ATOM 0 HB2 LYS A 72 12.542 7.022 -14.833 1.00 0.97 H new ATOM 0 HB3 LYS A 72 13.237 5.458 -15.211 1.00 0.97 H new ATOM 0 HG2 LYS A 72 11.213 7.014 -16.843 1.00 0.91 H new ATOM 0 HG3 LYS A 72 12.884 6.685 -17.254 1.00 0.91 H new ATOM 0 HD2 LYS A 72 10.897 4.428 -16.919 1.00 1.02 H new ATOM 0 HD3 LYS A 72 10.993 5.329 -18.419 1.00 1.02 H new ATOM 0 HE2 LYS A 72 13.464 4.733 -18.534 1.00 1.87 H new ATOM 0 HE3 LYS A 72 13.228 3.702 -17.136 1.00 1.87 H new ATOM 0 HZ1 LYS A 72 12.962 2.335 -19.011 1.00 2.11 H new ATOM 0 HZ2 LYS A 72 11.384 2.613 -18.449 1.00 2.11 H new ATOM 0 HZ3 LYS A 72 11.962 3.452 -19.808 1.00 2.11 H new ATOM 1130 N GLY A 73 10.629 6.103 -12.173 1.00 1.00 N ATOM 1131 CA GLY A 73 10.745 6.383 -10.749 1.00 1.19 C ATOM 1132 C GLY A 73 10.060 5.308 -9.925 1.00 0.85 C ATOM 1133 O GLY A 73 8.858 5.099 -10.029 1.00 0.84 O ATOM 0 H GLY A 73 9.741 6.428 -12.556 1.00 1.00 H new ATOM 0 HA2 GLY A 73 11.797 6.444 -10.471 1.00 1.19 H new ATOM 0 HA3 GLY A 73 10.301 7.354 -10.528 1.00 1.19 H new ATOM 1137 N ARG A 74 10.831 4.683 -9.047 1.00 1.38 N ATOM 1138 CA ARG A 74 10.300 3.993 -7.864 1.00 1.18 C ATOM 1139 C ARG A 74 10.194 4.972 -6.680 1.00 1.24 C ATOM 1140 O ARG A 74 11.111 5.766 -6.477 1.00 1.75 O ATOM 1141 CB ARG A 74 11.100 2.714 -7.554 1.00 1.69 C ATOM 1142 CG ARG A 74 12.470 2.948 -6.903 1.00 1.59 C ATOM 1143 CD ARG A 74 13.196 1.621 -6.665 1.00 1.81 C ATOM 1144 NE ARG A 74 14.240 1.788 -5.642 1.00 2.45 N ATOM 1145 CZ ARG A 74 14.577 0.870 -4.746 1.00 3.11 C ATOM 1146 NH1 ARG A 74 14.271 -0.396 -4.869 1.00 3.21 N ATOM 1147 NH2 ARG A 74 15.205 1.204 -3.647 1.00 4.50 N ATOM 0 H ARG A 74 11.847 4.636 -9.129 1.00 1.38 H new ATOM 0 HA ARG A 74 9.286 3.650 -8.070 1.00 1.18 H new ATOM 0 HB2 ARG A 74 10.505 2.082 -6.895 1.00 1.69 H new ATOM 0 HB3 ARG A 74 11.245 2.160 -8.482 1.00 1.69 H new ATOM 0 HG2 ARG A 74 13.076 3.589 -7.543 1.00 1.59 H new ATOM 0 HG3 ARG A 74 12.342 3.472 -5.956 1.00 1.59 H new ATOM 0 HD2 ARG A 74 12.483 0.860 -6.346 1.00 1.81 H new ATOM 0 HD3 ARG A 74 13.642 1.270 -7.596 1.00 1.81 H new ATOM 0 HE ARG A 74 14.742 2.676 -5.620 1.00 2.45 H new ATOM 0 HH11 ARG A 74 13.749 -0.718 -5.684 1.00 3.21 H new ATOM 0 HH12 ARG A 74 14.555 -1.061 -4.150 1.00 3.21 H new ATOM 0 HH21 ARG A 74 15.441 2.181 -3.471 1.00 4.50 H new ATOM 0 HH22 ARG A 74 15.458 0.488 -2.966 1.00 4.50 H new ATOM 1161 N VAL A 75 9.092 4.936 -5.931 1.00 0.98 N ATOM 1162 CA VAL A 75 8.729 5.867 -4.837 1.00 1.22 C ATOM 1163 C VAL A 75 8.051 5.104 -3.693 1.00 1.18 C ATOM 1164 O VAL A 75 7.782 3.920 -3.838 1.00 1.25 O ATOM 1165 CB VAL A 75 7.806 7.013 -5.316 1.00 1.79 C ATOM 1166 CG1 VAL A 75 8.446 7.846 -6.438 1.00 2.12 C ATOM 1167 CG2 VAL A 75 6.423 6.506 -5.757 1.00 1.82 C ATOM 0 H VAL A 75 8.381 4.219 -6.071 1.00 0.98 H new ATOM 0 HA VAL A 75 9.657 6.318 -4.484 1.00 1.22 H new ATOM 0 HB VAL A 75 7.667 7.660 -4.450 1.00 1.79 H new ATOM 0 HG11 VAL A 75 7.760 8.637 -6.740 1.00 2.12 H new ATOM 0 HG12 VAL A 75 9.375 8.289 -6.078 1.00 2.12 H new ATOM 0 HG13 VAL A 75 8.658 7.203 -7.293 1.00 2.12 H new ATOM 0 HG21 VAL A 75 5.814 7.349 -6.084 1.00 1.82 H new ATOM 0 HG22 VAL A 75 6.539 5.801 -6.580 1.00 1.82 H new ATOM 0 HG23 VAL A 75 5.934 6.008 -4.920 1.00 1.82 H new ATOM 1177 N GLU A 76 7.768 5.743 -2.556 1.00 1.48 N ATOM 1178 CA GLU A 76 7.496 5.031 -1.302 1.00 1.67 C ATOM 1179 C GLU A 76 6.064 5.250 -0.763 1.00 1.54 C ATOM 1180 O GLU A 76 5.720 6.320 -0.252 1.00 1.65 O ATOM 1181 CB GLU A 76 8.573 5.466 -0.297 1.00 2.24 C ATOM 1182 CG GLU A 76 8.929 4.418 0.766 1.00 2.60 C ATOM 1183 CD GLU A 76 9.689 5.068 1.928 1.00 3.43 C ATOM 1184 OE1 GLU A 76 10.408 6.070 1.708 1.00 4.00 O ATOM 1185 OE2 GLU A 76 9.403 4.746 3.105 1.00 4.27 O ATOM 0 H GLU A 76 7.721 6.759 -2.476 1.00 1.48 H new ATOM 0 HA GLU A 76 7.543 3.956 -1.477 1.00 1.67 H new ATOM 0 HB2 GLU A 76 9.478 5.726 -0.847 1.00 2.24 H new ATOM 0 HB3 GLU A 76 8.234 6.372 0.206 1.00 2.24 H new ATOM 0 HG2 GLU A 76 8.020 3.945 1.138 1.00 2.60 H new ATOM 0 HG3 GLU A 76 9.538 3.632 0.320 1.00 2.60 H new ATOM 1192 N LEU A 77 5.248 4.187 -0.789 1.00 1.39 N ATOM 1193 CA LEU A 77 4.087 4.020 0.084 1.00 1.20 C ATOM 1194 C LEU A 77 4.586 3.700 1.499 1.00 1.19 C ATOM 1195 O LEU A 77 4.574 2.554 1.957 1.00 1.33 O ATOM 1196 CB LEU A 77 3.114 2.940 -0.447 1.00 1.09 C ATOM 1197 CG LEU A 77 2.039 3.462 -1.422 1.00 1.07 C ATOM 1198 CD1 LEU A 77 2.580 3.649 -2.841 1.00 1.35 C ATOM 1199 CD2 LEU A 77 0.862 2.478 -1.466 1.00 0.91 C ATOM 0 H LEU A 77 5.383 3.406 -1.431 1.00 1.39 H new ATOM 0 HA LEU A 77 3.513 4.947 0.105 1.00 1.20 H new ATOM 0 HB2 LEU A 77 3.693 2.164 -0.948 1.00 1.09 H new ATOM 0 HB3 LEU A 77 2.617 2.470 0.402 1.00 1.09 H new ATOM 0 HG LEU A 77 1.717 4.436 -1.054 1.00 1.07 H new ATOM 0 HD11 LEU A 77 1.784 4.018 -3.488 1.00 1.35 H new ATOM 0 HD12 LEU A 77 3.399 4.369 -2.826 1.00 1.35 H new ATOM 0 HD13 LEU A 77 2.943 2.694 -3.221 1.00 1.35 H new ATOM 0 HD21 LEU A 77 0.103 2.849 -2.155 1.00 0.91 H new ATOM 0 HD22 LEU A 77 1.215 1.504 -1.804 1.00 0.91 H new ATOM 0 HD23 LEU A 77 0.431 2.382 -0.470 1.00 0.91 H new ATOM 1211 N LYS A 78 5.059 4.732 2.193 1.00 1.26 N ATOM 1212 CA LYS A 78 5.542 4.640 3.571 1.00 1.18 C ATOM 1213 C LYS A 78 4.388 4.624 4.601 1.00 0.93 C ATOM 1214 O LYS A 78 3.336 5.208 4.329 1.00 0.93 O ATOM 1215 CB LYS A 78 6.546 5.785 3.787 1.00 1.38 C ATOM 1216 CG LYS A 78 5.966 7.203 3.770 1.00 1.63 C ATOM 1217 CD LYS A 78 6.987 8.289 4.160 1.00 2.26 C ATOM 1218 CE LYS A 78 8.246 8.332 3.277 1.00 2.18 C ATOM 1219 NZ LYS A 78 9.309 7.397 3.725 1.00 2.73 N ATOM 0 H LYS A 78 5.119 5.674 1.807 1.00 1.26 H new ATOM 0 HA LYS A 78 6.048 3.688 3.733 1.00 1.18 H new ATOM 0 HB2 LYS A 78 7.043 5.629 4.744 1.00 1.38 H new ATOM 0 HB3 LYS A 78 7.313 5.719 3.015 1.00 1.38 H new ATOM 0 HG2 LYS A 78 5.582 7.418 2.773 1.00 1.63 H new ATOM 0 HG3 LYS A 78 5.119 7.249 4.455 1.00 1.63 H new ATOM 0 HD2 LYS A 78 6.497 9.262 4.118 1.00 2.26 H new ATOM 0 HD3 LYS A 78 7.290 8.129 5.195 1.00 2.26 H new ATOM 0 HE2 LYS A 78 7.970 8.092 2.250 1.00 2.18 H new ATOM 0 HE3 LYS A 78 8.643 9.347 3.271 1.00 2.18 H new ATOM 0 HZ1 LYS A 78 10.012 7.282 2.967 1.00 2.73 H new ATOM 0 HZ2 LYS A 78 9.773 7.780 4.573 1.00 2.73 H new ATOM 0 HZ3 LYS A 78 8.887 6.473 3.949 1.00 2.73 H new ATOM 1233 N PRO A 79 4.575 4.058 5.816 1.00 0.87 N ATOM 1234 CA PRO A 79 3.556 4.069 6.870 1.00 0.78 C ATOM 1235 C PRO A 79 3.045 5.481 7.178 1.00 0.86 C ATOM 1236 O PRO A 79 1.860 5.737 6.987 1.00 0.99 O ATOM 1237 CB PRO A 79 4.183 3.366 8.083 1.00 0.83 C ATOM 1238 CG PRO A 79 5.685 3.385 7.801 1.00 1.01 C ATOM 1239 CD PRO A 79 5.755 3.339 6.276 1.00 1.00 C ATOM 0 HA PRO A 79 2.659 3.538 6.553 1.00 0.78 H new ATOM 0 HB2 PRO A 79 3.946 3.888 9.010 1.00 0.83 H new ATOM 0 HB3 PRO A 79 3.811 2.347 8.187 1.00 0.83 H new ATOM 0 HG2 PRO A 79 6.158 4.283 8.199 1.00 1.01 H new ATOM 0 HG3 PRO A 79 6.190 2.532 8.253 1.00 1.01 H new ATOM 0 HD2 PRO A 79 6.669 3.807 5.910 1.00 1.00 H new ATOM 0 HD3 PRO A 79 5.756 2.311 5.913 1.00 1.00 H new ATOM 1247 N GLY A 80 3.922 6.415 7.570 1.00 1.02 N ATOM 1248 CA GLY A 80 3.573 7.833 7.724 1.00 1.22 C ATOM 1249 C GLY A 80 3.700 8.565 6.391 1.00 1.21 C ATOM 1250 O GLY A 80 4.693 9.256 6.172 1.00 1.49 O ATOM 0 H GLY A 80 4.896 6.207 7.790 1.00 1.02 H new ATOM 0 HA2 GLY A 80 2.554 7.924 8.099 1.00 1.22 H new ATOM 0 HA3 GLY A 80 4.227 8.296 8.463 1.00 1.22 H new ATOM 1254 N GLY A 81 2.740 8.344 5.486 1.00 1.06 N ATOM 1255 CA GLY A 81 2.730 8.883 4.120 1.00 1.07 C ATOM 1256 C GLY A 81 1.579 8.374 3.259 1.00 0.94 C ATOM 1257 O GLY A 81 0.627 9.107 3.032 1.00 1.02 O ATOM 0 H GLY A 81 1.923 7.768 5.689 1.00 1.06 H new ATOM 0 HA2 GLY A 81 2.679 9.971 4.170 1.00 1.07 H new ATOM 0 HA3 GLY A 81 3.672 8.630 3.634 1.00 1.07 H new ATOM 1261 N TYR A 82 1.663 7.132 2.779 1.00 0.85 N ATOM 1262 CA TYR A 82 0.674 6.478 1.900 1.00 0.81 C ATOM 1263 C TYR A 82 0.779 4.960 2.037 1.00 0.81 C ATOM 1264 O TYR A 82 1.884 4.442 2.061 1.00 0.93 O ATOM 1265 CB TYR A 82 0.906 6.843 0.429 1.00 0.88 C ATOM 1266 CG TYR A 82 0.928 8.318 0.092 1.00 0.91 C ATOM 1267 CD1 TYR A 82 -0.269 9.000 -0.195 1.00 2.35 C ATOM 1268 CD2 TYR A 82 2.163 8.991 0.020 1.00 1.83 C ATOM 1269 CE1 TYR A 82 -0.235 10.360 -0.559 1.00 2.39 C ATOM 1270 CE2 TYR A 82 2.206 10.346 -0.349 1.00 1.84 C ATOM 1271 CZ TYR A 82 1.006 11.031 -0.655 1.00 1.01 C ATOM 1272 OH TYR A 82 1.055 12.323 -1.081 1.00 1.10 O ATOM 0 H TYR A 82 2.452 6.524 2.997 1.00 0.85 H new ATOM 0 HA TYR A 82 -0.314 6.825 2.204 1.00 0.81 H new ATOM 0 HB2 TYR A 82 1.855 6.408 0.116 1.00 0.88 H new ATOM 0 HB3 TYR A 82 0.126 6.369 -0.167 1.00 0.88 H new ATOM 0 HD1 TYR A 82 -1.214 8.480 -0.136 1.00 2.35 H new ATOM 0 HD2 TYR A 82 3.078 8.465 0.249 1.00 1.83 H new ATOM 0 HE1 TYR A 82 -1.154 10.889 -0.764 1.00 2.39 H new ATOM 0 HE2 TYR A 82 3.153 10.864 -0.399 1.00 1.84 H new ATOM 0 HH TYR A 82 1.985 12.631 -1.087 1.00 1.10 H new ATOM 1282 N HIS A 83 -0.316 4.207 2.096 1.00 0.72 N ATOM 1283 CA HIS A 83 -0.249 2.771 2.395 1.00 0.72 C ATOM 1284 C HIS A 83 -1.588 2.087 2.131 1.00 0.59 C ATOM 1285 O HIS A 83 -2.611 2.759 2.018 1.00 0.57 O ATOM 1286 CB HIS A 83 0.255 2.534 3.831 1.00 0.77 C ATOM 1287 CG HIS A 83 -0.588 3.147 4.917 1.00 0.67 C ATOM 1288 ND1 HIS A 83 -0.397 4.375 5.505 1.00 0.74 N ATOM 1289 CD2 HIS A 83 -1.659 2.561 5.537 1.00 0.67 C ATOM 1290 CE1 HIS A 83 -1.351 4.541 6.435 1.00 0.78 C ATOM 1291 NE2 HIS A 83 -2.130 3.450 6.507 1.00 0.74 N ATOM 0 H HIS A 83 -1.260 4.562 1.942 1.00 0.72 H new ATOM 0 HA HIS A 83 0.475 2.314 1.720 1.00 0.72 H new ATOM 0 HB2 HIS A 83 0.317 1.460 4.004 1.00 0.77 H new ATOM 0 HB3 HIS A 83 1.268 2.929 3.913 1.00 0.77 H new ATOM 0 HD1 HIS A 83 0.340 5.042 5.275 1.00 0.74 H new ATOM 0 HD2 HIS A 83 -2.067 1.586 5.316 1.00 0.67 H new ATOM 0 HE1 HIS A 83 -1.474 5.427 7.040 1.00 0.78 H new ATOM 1299 N PHE A 84 -1.594 0.756 2.042 1.00 0.63 N ATOM 1300 CA PHE A 84 -2.823 -0.005 1.866 1.00 0.60 C ATOM 1301 C PHE A 84 -3.358 -0.470 3.214 1.00 0.61 C ATOM 1302 O PHE A 84 -2.629 -1.102 3.980 1.00 0.77 O ATOM 1303 CB PHE A 84 -2.586 -1.204 0.945 1.00 0.68 C ATOM 1304 CG PHE A 84 -2.277 -0.850 -0.494 1.00 0.69 C ATOM 1305 CD1 PHE A 84 -3.281 -0.276 -1.296 1.00 1.77 C ATOM 1306 CD2 PHE A 84 -1.007 -1.120 -1.043 1.00 2.14 C ATOM 1307 CE1 PHE A 84 -3.023 -0.001 -2.646 1.00 1.75 C ATOM 1308 CE2 PHE A 84 -0.745 -0.822 -2.393 1.00 2.19 C ATOM 1309 CZ PHE A 84 -1.752 -0.252 -3.188 1.00 0.80 C ATOM 0 H PHE A 84 -0.752 0.183 2.090 1.00 0.63 H new ATOM 0 HA PHE A 84 -3.566 0.644 1.402 1.00 0.60 H new ATOM 0 HB2 PHE A 84 -1.760 -1.793 1.344 1.00 0.68 H new ATOM 0 HB3 PHE A 84 -3.471 -1.840 0.966 1.00 0.68 H new ATOM 0 HD1 PHE A 84 -4.248 -0.048 -0.872 1.00 1.77 H new ATOM 0 HD2 PHE A 84 -0.234 -1.556 -0.427 1.00 2.14 H new ATOM 0 HE1 PHE A 84 -3.804 0.405 -3.271 1.00 1.75 H new ATOM 0 HE2 PHE A 84 0.227 -1.031 -2.816 1.00 2.19 H new ATOM 0 HZ PHE A 84 -1.549 -0.006 -4.220 1.00 0.80 H new ATOM 1319 N MET A 85 -4.641 -0.216 3.469 1.00 0.52 N ATOM 1320 CA MET A 85 -5.403 -0.835 4.552 1.00 0.52 C ATOM 1321 C MET A 85 -6.016 -2.154 4.084 1.00 0.53 C ATOM 1322 O MET A 85 -6.574 -2.223 2.986 1.00 0.71 O ATOM 1323 CB MET A 85 -6.482 0.134 5.057 1.00 0.58 C ATOM 1324 CG MET A 85 -5.959 1.063 6.156 1.00 0.73 C ATOM 1325 SD MET A 85 -5.675 0.244 7.750 1.00 0.86 S ATOM 1326 CE MET A 85 -3.871 0.127 7.728 1.00 0.64 C ATOM 0 H MET A 85 -5.192 0.441 2.916 1.00 0.52 H new ATOM 0 HA MET A 85 -4.731 -1.056 5.381 1.00 0.52 H new ATOM 0 HB2 MET A 85 -6.849 0.732 4.223 1.00 0.58 H new ATOM 0 HB3 MET A 85 -7.329 -0.436 5.438 1.00 0.58 H new ATOM 0 HG2 MET A 85 -5.025 1.514 5.821 1.00 0.73 H new ATOM 0 HG3 MET A 85 -6.672 1.875 6.299 1.00 0.73 H new ATOM 0 HE1 MET A 85 -3.513 -0.155 8.718 1.00 0.64 H new ATOM 0 HE2 MET A 85 -3.564 -0.626 7.003 1.00 0.64 H new ATOM 0 HE3 MET A 85 -3.447 1.092 7.450 1.00 0.64 H new ATOM 1336 N LEU A 86 -5.916 -3.178 4.933 1.00 0.43 N ATOM 1337 CA LEU A 86 -6.504 -4.500 4.738 1.00 0.42 C ATOM 1338 C LEU A 86 -7.589 -4.705 5.802 1.00 0.43 C ATOM 1339 O LEU A 86 -7.274 -4.745 6.988 1.00 0.60 O ATOM 1340 CB LEU A 86 -5.393 -5.564 4.864 1.00 0.50 C ATOM 1341 CG LEU A 86 -4.162 -5.373 3.949 1.00 0.69 C ATOM 1342 CD1 LEU A 86 -3.175 -6.526 4.180 1.00 1.76 C ATOM 1343 CD2 LEU A 86 -4.513 -5.293 2.456 1.00 1.04 C ATOM 0 H LEU A 86 -5.402 -3.104 5.811 1.00 0.43 H new ATOM 0 HA LEU A 86 -6.955 -4.590 3.750 1.00 0.42 H new ATOM 0 HB2 LEU A 86 -5.052 -5.583 5.899 1.00 0.50 H new ATOM 0 HB3 LEU A 86 -5.828 -6.541 4.654 1.00 0.50 H new ATOM 0 HG LEU A 86 -3.717 -4.415 4.217 1.00 0.69 H new ATOM 0 HD11 LEU A 86 -2.305 -6.395 3.536 1.00 1.76 H new ATOM 0 HD12 LEU A 86 -2.857 -6.530 5.223 1.00 1.76 H new ATOM 0 HD13 LEU A 86 -3.661 -7.473 3.945 1.00 1.76 H new ATOM 0 HD21 LEU A 86 -3.601 -5.159 1.874 1.00 1.04 H new ATOM 0 HD22 LEU A 86 -5.007 -6.215 2.149 1.00 1.04 H new ATOM 0 HD23 LEU A 86 -5.180 -4.449 2.284 1.00 1.04 H new ATOM 1355 N LEU A 87 -8.855 -4.817 5.396 1.00 0.50 N ATOM 1356 CA LEU A 87 -10.032 -5.020 6.246 1.00 0.57 C ATOM 1357 C LEU A 87 -10.645 -6.389 5.908 1.00 0.61 C ATOM 1358 O LEU A 87 -11.005 -6.638 4.754 1.00 0.85 O ATOM 1359 CB LEU A 87 -11.072 -3.909 5.960 1.00 0.65 C ATOM 1360 CG LEU A 87 -10.856 -2.482 6.500 1.00 1.04 C ATOM 1361 CD1 LEU A 87 -10.897 -2.448 8.031 1.00 1.30 C ATOM 1362 CD2 LEU A 87 -9.579 -1.811 5.987 1.00 2.89 C ATOM 0 H LEU A 87 -9.102 -4.766 4.408 1.00 0.50 H new ATOM 0 HA LEU A 87 -9.746 -4.983 7.297 1.00 0.57 H new ATOM 0 HB2 LEU A 87 -11.172 -3.832 4.877 1.00 0.65 H new ATOM 0 HB3 LEU A 87 -12.030 -4.258 6.345 1.00 0.65 H new ATOM 0 HG LEU A 87 -11.690 -1.900 6.108 1.00 1.04 H new ATOM 0 HD11 LEU A 87 -10.741 -1.426 8.377 1.00 1.30 H new ATOM 0 HD12 LEU A 87 -11.867 -2.804 8.377 1.00 1.30 H new ATOM 0 HD13 LEU A 87 -10.112 -3.090 8.430 1.00 1.30 H new ATOM 0 HD21 LEU A 87 -9.498 -0.810 6.412 1.00 2.89 H new ATOM 0 HD22 LEU A 87 -8.713 -2.402 6.284 1.00 2.89 H new ATOM 0 HD23 LEU A 87 -9.616 -1.742 4.900 1.00 2.89 H new ATOM 1374 N GLY A 88 -10.793 -7.266 6.909 1.00 0.59 N ATOM 1375 CA GLY A 88 -11.255 -8.649 6.716 1.00 0.72 C ATOM 1376 C GLY A 88 -10.131 -9.516 6.148 1.00 0.82 C ATOM 1377 O GLY A 88 -9.853 -9.456 4.951 1.00 1.49 O ATOM 0 H GLY A 88 -10.595 -7.036 7.883 1.00 0.59 H new ATOM 0 HA2 GLY A 88 -11.595 -9.061 7.666 1.00 0.72 H new ATOM 0 HA3 GLY A 88 -12.109 -8.662 6.039 1.00 0.72 H new ATOM 1381 N LEU A 89 -9.465 -10.309 6.992 1.00 0.65 N ATOM 1382 CA LEU A 89 -8.267 -11.064 6.609 1.00 0.64 C ATOM 1383 C LEU A 89 -8.623 -12.510 6.230 1.00 0.76 C ATOM 1384 O LEU A 89 -9.121 -13.275 7.054 1.00 0.94 O ATOM 1385 CB LEU A 89 -7.216 -10.991 7.738 1.00 0.72 C ATOM 1386 CG LEU A 89 -6.843 -9.561 8.202 1.00 0.61 C ATOM 1387 CD1 LEU A 89 -5.707 -9.633 9.232 1.00 0.79 C ATOM 1388 CD2 LEU A 89 -6.421 -8.636 7.044 1.00 0.75 C ATOM 0 H LEU A 89 -9.742 -10.446 7.964 1.00 0.65 H new ATOM 0 HA LEU A 89 -7.828 -10.612 5.720 1.00 0.64 H new ATOM 0 HB2 LEU A 89 -7.590 -11.548 8.597 1.00 0.72 H new ATOM 0 HB3 LEU A 89 -6.310 -11.494 7.402 1.00 0.72 H new ATOM 0 HG LEU A 89 -7.742 -9.131 8.644 1.00 0.61 H new ATOM 0 HD11 LEU A 89 -5.446 -8.626 9.557 1.00 0.79 H new ATOM 0 HD12 LEU A 89 -6.032 -10.219 10.092 1.00 0.79 H new ATOM 0 HD13 LEU A 89 -4.835 -10.105 8.780 1.00 0.79 H new ATOM 0 HD21 LEU A 89 -6.173 -7.650 7.438 1.00 0.75 H new ATOM 0 HD22 LEU A 89 -5.549 -9.056 6.542 1.00 0.75 H new ATOM 0 HD23 LEU A 89 -7.242 -8.547 6.332 1.00 0.75 H new ATOM 1400 N LYS A 90 -8.320 -12.905 4.989 1.00 0.88 N ATOM 1401 CA LYS A 90 -8.621 -14.233 4.422 1.00 1.07 C ATOM 1402 C LYS A 90 -7.790 -15.381 5.039 1.00 1.01 C ATOM 1403 O LYS A 90 -8.052 -16.554 4.771 1.00 1.20 O ATOM 1404 CB LYS A 90 -8.378 -14.191 2.900 1.00 1.43 C ATOM 1405 CG LYS A 90 -9.274 -13.205 2.137 1.00 1.27 C ATOM 1406 CD LYS A 90 -8.990 -13.265 0.627 1.00 2.17 C ATOM 1407 CE LYS A 90 -9.975 -12.447 -0.217 1.00 2.26 C ATOM 1408 NZ LYS A 90 -11.330 -13.038 -0.245 1.00 1.72 N ATOM 0 H LYS A 90 -7.843 -12.293 4.327 1.00 0.88 H new ATOM 0 HA LYS A 90 -9.663 -14.447 4.658 1.00 1.07 H new ATOM 0 HB2 LYS A 90 -7.336 -13.929 2.719 1.00 1.43 H new ATOM 0 HB3 LYS A 90 -8.531 -15.191 2.493 1.00 1.43 H new ATOM 0 HG2 LYS A 90 -10.322 -13.439 2.324 1.00 1.27 H new ATOM 0 HG3 LYS A 90 -9.103 -12.193 2.504 1.00 1.27 H new ATOM 0 HD2 LYS A 90 -7.979 -12.903 0.442 1.00 2.17 H new ATOM 0 HD3 LYS A 90 -9.022 -14.305 0.301 1.00 2.17 H new ATOM 0 HE2 LYS A 90 -10.033 -11.434 0.180 1.00 2.26 H new ATOM 0 HE3 LYS A 90 -9.596 -12.369 -1.236 1.00 2.26 H new ATOM 0 HZ1 LYS A 90 -11.967 -12.420 -0.786 1.00 1.72 H new ATOM 0 HZ2 LYS A 90 -11.291 -13.975 -0.695 1.00 1.72 H new ATOM 0 HZ3 LYS A 90 -11.686 -13.136 0.727 1.00 1.72 H new ATOM 1422 N ARG A 91 -6.752 -15.045 5.813 1.00 0.99 N ATOM 1423 CA ARG A 91 -5.810 -15.962 6.465 1.00 1.17 C ATOM 1424 C ARG A 91 -4.972 -15.209 7.509 1.00 1.17 C ATOM 1425 O ARG A 91 -4.763 -14.004 7.338 1.00 1.06 O ATOM 1426 CB ARG A 91 -4.881 -16.650 5.439 1.00 1.45 C ATOM 1427 CG ARG A 91 -4.121 -15.677 4.513 1.00 1.98 C ATOM 1428 CD ARG A 91 -2.796 -16.260 3.994 1.00 2.43 C ATOM 1429 NE ARG A 91 -2.945 -17.529 3.254 1.00 2.60 N ATOM 1430 CZ ARG A 91 -3.408 -17.684 2.019 1.00 3.69 C ATOM 1431 NH1 ARG A 91 -3.969 -16.695 1.353 1.00 4.88 N ATOM 1432 NH2 ARG A 91 -3.302 -18.857 1.431 1.00 4.39 N ATOM 0 H ARG A 91 -6.534 -14.069 6.013 1.00 0.99 H new ATOM 0 HA ARG A 91 -6.394 -16.737 6.961 1.00 1.17 H new ATOM 0 HB2 ARG A 91 -4.156 -17.261 5.976 1.00 1.45 H new ATOM 0 HB3 ARG A 91 -5.476 -17.326 4.825 1.00 1.45 H new ATOM 0 HG2 ARG A 91 -4.756 -15.419 3.665 1.00 1.98 H new ATOM 0 HG3 ARG A 91 -3.919 -14.752 5.053 1.00 1.98 H new ATOM 0 HD2 ARG A 91 -2.319 -15.527 3.344 1.00 2.43 H new ATOM 0 HD3 ARG A 91 -2.126 -16.421 4.839 1.00 2.43 H new ATOM 0 HE ARG A 91 -2.662 -18.378 3.744 1.00 2.60 H new ATOM 0 HH11 ARG A 91 -4.058 -15.775 1.785 1.00 4.88 H new ATOM 0 HH12 ARG A 91 -4.314 -16.849 0.406 1.00 4.88 H new ATOM 0 HH21 ARG A 91 -2.867 -19.637 1.924 1.00 4.39 H new ATOM 0 HH22 ARG A 91 -3.655 -18.986 0.483 1.00 4.39 H new ATOM 1446 N PRO A 92 -4.433 -15.902 8.533 1.00 1.45 N ATOM 1447 CA PRO A 92 -3.355 -15.358 9.343 1.00 1.56 C ATOM 1448 C PRO A 92 -2.127 -15.121 8.459 1.00 1.54 C ATOM 1449 O PRO A 92 -1.815 -15.913 7.567 1.00 1.92 O ATOM 1450 CB PRO A 92 -3.093 -16.387 10.446 1.00 2.07 C ATOM 1451 CG PRO A 92 -3.532 -17.706 9.807 1.00 2.19 C ATOM 1452 CD PRO A 92 -4.699 -17.287 8.914 1.00 1.76 C ATOM 0 HA PRO A 92 -3.605 -14.396 9.790 1.00 1.56 H new ATOM 0 HB2 PRO A 92 -2.042 -16.410 10.734 1.00 2.07 H new ATOM 0 HB3 PRO A 92 -3.666 -16.166 11.347 1.00 2.07 H new ATOM 0 HG2 PRO A 92 -2.727 -18.162 9.231 1.00 2.19 H new ATOM 0 HG3 PRO A 92 -3.840 -18.435 10.557 1.00 2.19 H new ATOM 0 HD2 PRO A 92 -4.768 -17.928 8.035 1.00 1.76 H new ATOM 0 HD3 PRO A 92 -5.647 -17.371 9.445 1.00 1.76 H new ATOM 1460 N LEU A 93 -1.443 -14.006 8.713 1.00 1.38 N ATOM 1461 CA LEU A 93 -0.248 -13.587 7.991 1.00 1.43 C ATOM 1462 C LEU A 93 0.982 -14.272 8.593 1.00 1.68 C ATOM 1463 O LEU A 93 1.608 -13.776 9.524 1.00 2.11 O ATOM 1464 CB LEU A 93 -0.196 -12.046 8.015 1.00 1.25 C ATOM 1465 CG LEU A 93 -1.095 -11.405 6.937 1.00 1.28 C ATOM 1466 CD1 LEU A 93 -1.301 -9.914 7.230 1.00 2.39 C ATOM 1467 CD2 LEU A 93 -0.470 -11.545 5.544 1.00 2.63 C ATOM 0 H LEU A 93 -1.715 -13.353 9.448 1.00 1.38 H new ATOM 0 HA LEU A 93 -0.268 -13.893 6.945 1.00 1.43 H new ATOM 0 HB2 LEU A 93 -0.505 -11.691 8.998 1.00 1.25 H new ATOM 0 HB3 LEU A 93 0.833 -11.719 7.866 1.00 1.25 H new ATOM 0 HG LEU A 93 -2.052 -11.926 6.958 1.00 1.28 H new ATOM 0 HD11 LEU A 93 -1.937 -9.477 6.461 1.00 2.39 H new ATOM 0 HD12 LEU A 93 -1.776 -9.797 8.204 1.00 2.39 H new ATOM 0 HD13 LEU A 93 -0.336 -9.407 7.234 1.00 2.39 H new ATOM 0 HD21 LEU A 93 -1.124 -11.085 4.804 1.00 2.63 H new ATOM 0 HD22 LEU A 93 0.500 -11.049 5.529 1.00 2.63 H new ATOM 0 HD23 LEU A 93 -0.341 -12.601 5.308 1.00 2.63 H new ATOM 1479 N LYS A 94 1.321 -15.449 8.071 1.00 1.66 N ATOM 1480 CA LYS A 94 2.474 -16.243 8.495 1.00 1.96 C ATOM 1481 C LYS A 94 3.785 -15.492 8.183 1.00 1.80 C ATOM 1482 O LYS A 94 4.170 -15.382 7.018 1.00 2.21 O ATOM 1483 CB LYS A 94 2.319 -17.610 7.794 1.00 2.45 C ATOM 1484 CG LYS A 94 3.366 -18.709 8.043 1.00 2.96 C ATOM 1485 CD LYS A 94 4.719 -18.502 7.339 1.00 4.10 C ATOM 1486 CE LYS A 94 5.350 -19.833 6.896 1.00 4.84 C ATOM 1487 NZ LYS A 94 4.742 -20.324 5.635 1.00 5.22 N ATOM 0 H LYS A 94 0.787 -15.889 7.321 1.00 1.66 H new ATOM 0 HA LYS A 94 2.518 -16.407 9.572 1.00 1.96 H new ATOM 0 HB2 LYS A 94 1.347 -18.014 8.077 1.00 2.45 H new ATOM 0 HB3 LYS A 94 2.288 -17.425 6.720 1.00 2.45 H new ATOM 0 HG2 LYS A 94 3.542 -18.784 9.116 1.00 2.96 H new ATOM 0 HG3 LYS A 94 2.950 -19.664 7.721 1.00 2.96 H new ATOM 0 HD2 LYS A 94 4.580 -17.860 6.469 1.00 4.10 H new ATOM 0 HD3 LYS A 94 5.402 -17.984 8.012 1.00 4.10 H new ATOM 0 HE2 LYS A 94 6.423 -19.701 6.758 1.00 4.84 H new ATOM 0 HE3 LYS A 94 5.219 -20.579 7.680 1.00 4.84 H new ATOM 0 HZ1 LYS A 94 4.936 -21.340 5.528 1.00 5.22 H new ATOM 0 HZ2 LYS A 94 3.714 -20.169 5.662 1.00 5.22 H new ATOM 0 HZ3 LYS A 94 5.149 -19.807 4.829 1.00 5.22 H new ATOM 1501 N ALA A 95 4.473 -14.978 9.211 1.00 1.47 N ATOM 1502 CA ALA A 95 5.790 -14.348 9.057 1.00 1.31 C ATOM 1503 C ALA A 95 6.756 -15.276 8.295 1.00 1.36 C ATOM 1504 O ALA A 95 7.093 -16.354 8.785 1.00 1.56 O ATOM 1505 CB ALA A 95 6.314 -13.950 10.443 1.00 1.33 C ATOM 0 H ALA A 95 4.132 -14.987 10.172 1.00 1.47 H new ATOM 0 HA ALA A 95 5.707 -13.443 8.455 1.00 1.31 H new ATOM 0 HB1 ALA A 95 7.292 -13.481 10.341 1.00 1.33 H new ATOM 0 HB2 ALA A 95 5.621 -13.247 10.906 1.00 1.33 H new ATOM 0 HB3 ALA A 95 6.401 -14.839 11.068 1.00 1.33 H new ATOM 1511 N GLY A 96 7.147 -14.870 7.081 1.00 1.38 N ATOM 1512 CA GLY A 96 7.946 -15.693 6.165 1.00 1.58 C ATOM 1513 C GLY A 96 7.233 -16.219 4.913 1.00 1.87 C ATOM 1514 O GLY A 96 7.895 -16.917 4.153 1.00 2.57 O ATOM 0 H GLY A 96 6.915 -13.951 6.703 1.00 1.38 H new ATOM 0 HA2 GLY A 96 8.808 -15.107 5.845 1.00 1.58 H new ATOM 0 HA3 GLY A 96 8.330 -16.547 6.722 1.00 1.58 H new ATOM 1518 N GLU A 97 5.960 -15.886 4.642 1.00 1.58 N ATOM 1519 CA GLU A 97 5.504 -15.856 3.238 1.00 1.90 C ATOM 1520 C GLU A 97 5.992 -14.569 2.551 1.00 1.86 C ATOM 1521 O GLU A 97 6.393 -13.604 3.212 1.00 1.60 O ATOM 1522 CB GLU A 97 3.971 -15.908 3.033 1.00 2.30 C ATOM 1523 CG GLU A 97 3.079 -16.741 3.944 1.00 2.25 C ATOM 1524 CD GLU A 97 3.364 -18.238 4.002 1.00 3.19 C ATOM 1525 OE1 GLU A 97 4.415 -18.707 3.518 1.00 4.76 O ATOM 1526 OE2 GLU A 97 2.588 -18.948 4.681 1.00 3.23 O ATOM 0 H GLU A 97 5.255 -15.644 5.338 1.00 1.58 H new ATOM 0 HA GLU A 97 5.927 -16.764 2.807 1.00 1.90 H new ATOM 0 HB2 GLU A 97 3.608 -14.881 3.085 1.00 2.30 H new ATOM 0 HB3 GLU A 97 3.798 -16.256 2.014 1.00 2.30 H new ATOM 0 HG2 GLU A 97 3.157 -16.341 4.955 1.00 2.25 H new ATOM 0 HG3 GLU A 97 2.046 -16.604 3.626 1.00 2.25 H new ATOM 1533 N GLU A 98 5.793 -14.499 1.234 1.00 2.24 N ATOM 1534 CA GLU A 98 5.493 -13.229 0.581 1.00 2.11 C ATOM 1535 C GLU A 98 3.990 -13.206 0.273 1.00 1.79 C ATOM 1536 O GLU A 98 3.441 -14.175 -0.243 1.00 2.26 O ATOM 1537 CB GLU A 98 6.298 -12.975 -0.711 1.00 2.93 C ATOM 1538 CG GLU A 98 7.825 -12.822 -0.574 1.00 3.85 C ATOM 1539 CD GLU A 98 8.411 -11.936 -1.688 1.00 5.25 C ATOM 1540 OE1 GLU A 98 8.457 -10.699 -1.514 1.00 6.49 O ATOM 1541 OE2 GLU A 98 8.823 -12.425 -2.761 1.00 5.62 O ATOM 0 H GLU A 98 5.834 -15.301 0.605 1.00 2.24 H new ATOM 0 HA GLU A 98 5.785 -12.431 1.263 1.00 2.11 H new ATOM 0 HB2 GLU A 98 6.102 -13.798 -1.398 1.00 2.93 H new ATOM 0 HB3 GLU A 98 5.909 -12.070 -1.178 1.00 2.93 H new ATOM 0 HG2 GLU A 98 8.061 -12.389 0.398 1.00 3.85 H new ATOM 0 HG3 GLU A 98 8.294 -13.806 -0.607 1.00 3.85 H new ATOM 1548 N VAL A 99 3.327 -12.090 0.556 1.00 1.33 N ATOM 1549 CA VAL A 99 1.961 -11.808 0.110 1.00 1.08 C ATOM 1550 C VAL A 99 1.991 -11.474 -1.365 1.00 1.02 C ATOM 1551 O VAL A 99 2.670 -10.532 -1.764 1.00 1.06 O ATOM 1552 CB VAL A 99 1.366 -10.613 0.882 1.00 0.98 C ATOM 1553 CG1 VAL A 99 0.117 -9.989 0.219 1.00 0.90 C ATOM 1554 CG2 VAL A 99 1.080 -11.086 2.310 1.00 1.01 C ATOM 0 H VAL A 99 3.730 -11.338 1.114 1.00 1.33 H new ATOM 0 HA VAL A 99 1.342 -12.686 0.296 1.00 1.08 H new ATOM 0 HB VAL A 99 2.093 -9.801 0.878 1.00 0.98 H new ATOM 0 HG11 VAL A 99 -0.239 -9.156 0.825 1.00 0.90 H new ATOM 0 HG12 VAL A 99 0.375 -9.629 -0.777 1.00 0.90 H new ATOM 0 HG13 VAL A 99 -0.668 -10.741 0.141 1.00 0.90 H new ATOM 0 HG21 VAL A 99 0.657 -10.264 2.888 1.00 1.01 H new ATOM 0 HG22 VAL A 99 0.371 -11.914 2.284 1.00 1.01 H new ATOM 0 HG23 VAL A 99 2.008 -11.417 2.776 1.00 1.01 H new ATOM 1564 N GLU A 100 1.185 -12.189 -2.147 1.00 0.99 N ATOM 1565 CA GLU A 100 0.828 -11.755 -3.492 1.00 0.97 C ATOM 1566 C GLU A 100 0.000 -10.469 -3.431 1.00 1.01 C ATOM 1567 O GLU A 100 -0.943 -10.341 -2.643 1.00 1.12 O ATOM 1568 CB GLU A 100 -0.019 -12.795 -4.214 1.00 1.07 C ATOM 1569 CG GLU A 100 0.642 -14.150 -4.452 1.00 1.24 C ATOM 1570 CD GLU A 100 -0.431 -15.064 -5.024 1.00 1.98 C ATOM 1571 OE1 GLU A 100 -0.816 -14.803 -6.194 1.00 2.33 O ATOM 1572 OE2 GLU A 100 -0.954 -15.892 -4.247 1.00 3.40 O ATOM 0 H GLU A 100 0.766 -13.076 -1.868 1.00 0.99 H new ATOM 0 HA GLU A 100 1.764 -11.601 -4.029 1.00 0.97 H new ATOM 0 HB2 GLU A 100 -0.931 -12.954 -3.639 1.00 1.07 H new ATOM 0 HB3 GLU A 100 -0.318 -12.385 -5.179 1.00 1.07 H new ATOM 0 HG2 GLU A 100 1.480 -14.056 -5.143 1.00 1.24 H new ATOM 0 HG3 GLU A 100 1.040 -14.555 -3.522 1.00 1.24 H new ATOM 1579 N LEU A 101 0.326 -9.529 -4.310 1.00 1.04 N ATOM 1580 CA LEU A 101 -0.325 -8.237 -4.383 1.00 1.09 C ATOM 1581 C LEU A 101 -0.375 -7.706 -5.820 1.00 1.06 C ATOM 1582 O LEU A 101 0.624 -7.590 -6.534 1.00 1.02 O ATOM 1583 CB LEU A 101 0.316 -7.283 -3.363 1.00 1.15 C ATOM 1584 CG LEU A 101 -0.620 -6.945 -2.194 1.00 1.18 C ATOM 1585 CD1 LEU A 101 0.204 -6.330 -1.077 1.00 1.75 C ATOM 1586 CD2 LEU A 101 -1.692 -5.918 -2.585 1.00 1.29 C ATOM 0 H LEU A 101 1.065 -9.651 -5.003 1.00 1.04 H new ATOM 0 HA LEU A 101 -1.374 -8.332 -4.102 1.00 1.09 H new ATOM 0 HB2 LEU A 101 1.228 -7.735 -2.973 1.00 1.15 H new ATOM 0 HB3 LEU A 101 0.607 -6.362 -3.867 1.00 1.15 H new ATOM 0 HG LEU A 101 -1.112 -7.869 -1.890 1.00 1.18 H new ATOM 0 HD11 LEU A 101 -0.447 -6.084 -0.238 1.00 1.75 H new ATOM 0 HD12 LEU A 101 0.963 -7.041 -0.751 1.00 1.75 H new ATOM 0 HD13 LEU A 101 0.688 -5.423 -1.439 1.00 1.75 H new ATOM 0 HD21 LEU A 101 -2.329 -5.712 -1.725 1.00 1.29 H new ATOM 0 HD22 LEU A 101 -1.211 -4.995 -2.910 1.00 1.29 H new ATOM 0 HD23 LEU A 101 -2.298 -6.317 -3.398 1.00 1.29 H new ATOM 1598 N ASP A 102 -1.599 -7.407 -6.220 1.00 1.07 N ATOM 1599 CA ASP A 102 -2.044 -7.132 -7.571 1.00 0.85 C ATOM 1600 C ASP A 102 -2.315 -5.629 -7.725 1.00 0.75 C ATOM 1601 O ASP A 102 -3.439 -5.159 -7.560 1.00 0.86 O ATOM 1602 CB ASP A 102 -3.329 -7.934 -7.839 1.00 0.97 C ATOM 1603 CG ASP A 102 -3.230 -9.460 -7.969 1.00 1.42 C ATOM 1604 OD1 ASP A 102 -2.245 -10.082 -7.511 1.00 2.58 O ATOM 1605 OD2 ASP A 102 -4.222 -10.019 -8.504 1.00 1.76 O ATOM 0 H ASP A 102 -2.368 -7.346 -5.552 1.00 1.07 H new ATOM 0 HA ASP A 102 -1.276 -7.424 -8.288 1.00 0.85 H new ATOM 0 HB2 ASP A 102 -4.030 -7.715 -7.033 1.00 0.97 H new ATOM 0 HB3 ASP A 102 -3.772 -7.552 -8.759 1.00 0.97 H new ATOM 1610 N LEU A 103 -1.262 -4.859 -7.999 1.00 0.77 N ATOM 1611 CA LEU A 103 -1.297 -3.400 -8.068 1.00 0.73 C ATOM 1612 C LEU A 103 -2.162 -2.943 -9.255 1.00 0.72 C ATOM 1613 O LEU A 103 -1.851 -3.273 -10.405 1.00 0.76 O ATOM 1614 CB LEU A 103 0.148 -2.881 -8.202 1.00 0.77 C ATOM 1615 CG LEU A 103 1.131 -3.221 -7.060 1.00 0.90 C ATOM 1616 CD1 LEU A 103 2.523 -2.696 -7.444 1.00 1.26 C ATOM 1617 CD2 LEU A 103 0.699 -2.627 -5.714 1.00 1.17 C ATOM 0 H LEU A 103 -0.336 -5.245 -8.184 1.00 0.77 H new ATOM 0 HA LEU A 103 -1.743 -2.992 -7.161 1.00 0.73 H new ATOM 0 HB2 LEU A 103 0.562 -3.272 -9.131 1.00 0.77 H new ATOM 0 HB3 LEU A 103 0.109 -1.796 -8.302 1.00 0.77 H new ATOM 0 HG LEU A 103 1.145 -4.303 -6.933 1.00 0.90 H new ATOM 0 HD11 LEU A 103 3.231 -2.927 -6.648 1.00 1.26 H new ATOM 0 HD12 LEU A 103 2.849 -3.171 -8.369 1.00 1.26 H new ATOM 0 HD13 LEU A 103 2.478 -1.616 -7.587 1.00 1.26 H new ATOM 0 HD21 LEU A 103 1.425 -2.897 -4.947 1.00 1.17 H new ATOM 0 HD22 LEU A 103 0.644 -1.541 -5.796 1.00 1.17 H new ATOM 0 HD23 LEU A 103 -0.280 -3.020 -5.440 1.00 1.17 H new ATOM 1629 N LEU A 104 -3.230 -2.182 -8.977 1.00 0.68 N ATOM 1630 CA LEU A 104 -4.240 -1.735 -9.948 1.00 0.69 C ATOM 1631 C LEU A 104 -3.939 -0.312 -10.426 1.00 0.63 C ATOM 1632 O LEU A 104 -3.775 0.601 -9.614 1.00 0.61 O ATOM 1633 CB LEU A 104 -5.651 -1.744 -9.317 1.00 0.68 C ATOM 1634 CG LEU A 104 -6.059 -2.993 -8.524 1.00 0.72 C ATOM 1635 CD1 LEU A 104 -7.481 -2.824 -7.972 1.00 0.75 C ATOM 1636 CD2 LEU A 104 -5.973 -4.284 -9.350 1.00 0.76 C ATOM 0 H LEU A 104 -3.422 -1.848 -8.033 1.00 0.68 H new ATOM 0 HA LEU A 104 -4.207 -2.426 -10.791 1.00 0.69 H new ATOM 0 HB2 LEU A 104 -5.729 -0.883 -8.654 1.00 0.68 H new ATOM 0 HB3 LEU A 104 -6.379 -1.599 -10.115 1.00 0.68 H new ATOM 0 HG LEU A 104 -5.346 -3.091 -7.705 1.00 0.72 H new ATOM 0 HD11 LEU A 104 -7.762 -3.715 -7.411 1.00 0.75 H new ATOM 0 HD12 LEU A 104 -7.515 -1.955 -7.314 1.00 0.75 H new ATOM 0 HD13 LEU A 104 -8.177 -2.681 -8.798 1.00 0.75 H new ATOM 0 HD21 LEU A 104 -6.274 -5.131 -8.734 1.00 0.76 H new ATOM 0 HD22 LEU A 104 -6.636 -4.209 -10.212 1.00 0.76 H new ATOM 0 HD23 LEU A 104 -4.948 -4.430 -9.692 1.00 0.76 H new ATOM 1648 N PHE A 105 -3.935 -0.083 -11.739 1.00 0.64 N ATOM 1649 CA PHE A 105 -3.569 1.213 -12.323 1.00 0.64 C ATOM 1650 C PHE A 105 -4.566 1.632 -13.403 1.00 0.72 C ATOM 1651 O PHE A 105 -4.853 0.847 -14.308 1.00 1.08 O ATOM 1652 CB PHE A 105 -2.171 1.120 -12.931 1.00 0.77 C ATOM 1653 CG PHE A 105 -1.036 0.790 -11.987 1.00 0.72 C ATOM 1654 CD1 PHE A 105 -0.723 -0.548 -11.697 1.00 1.52 C ATOM 1655 CD2 PHE A 105 -0.217 1.809 -11.478 1.00 1.95 C ATOM 1656 CE1 PHE A 105 0.428 -0.886 -10.987 1.00 1.55 C ATOM 1657 CE2 PHE A 105 0.926 1.478 -10.731 1.00 1.93 C ATOM 1658 CZ PHE A 105 1.265 0.131 -10.494 1.00 0.73 C ATOM 0 H PHE A 105 -4.185 -0.790 -12.431 1.00 0.64 H new ATOM 0 HA PHE A 105 -3.584 1.963 -11.532 1.00 0.64 H new ATOM 0 HB2 PHE A 105 -2.191 0.363 -13.715 1.00 0.77 H new ATOM 0 HB3 PHE A 105 -1.946 2.072 -13.413 1.00 0.77 H new ATOM 0 HD1 PHE A 105 -1.388 -1.331 -12.031 1.00 1.52 H new ATOM 0 HD2 PHE A 105 -0.464 2.844 -11.660 1.00 1.95 H new ATOM 0 HE1 PHE A 105 0.676 -1.923 -10.816 1.00 1.55 H new ATOM 0 HE2 PHE A 105 1.551 2.264 -10.334 1.00 1.93 H new ATOM 0 HZ PHE A 105 2.158 -0.118 -9.940 1.00 0.73 H new ATOM 1668 N ALA A 106 -5.071 2.870 -13.296 1.00 0.51 N ATOM 1669 CA ALA A 106 -6.121 3.449 -14.149 1.00 0.56 C ATOM 1670 C ALA A 106 -7.297 2.477 -14.427 1.00 1.43 C ATOM 1671 O ALA A 106 -7.841 2.433 -15.529 1.00 2.29 O ATOM 1672 CB ALA A 106 -5.458 4.029 -15.408 1.00 1.67 C ATOM 0 H ALA A 106 -4.746 3.523 -12.583 1.00 0.51 H new ATOM 0 HA ALA A 106 -6.612 4.264 -13.618 1.00 0.56 H new ATOM 0 HB1 ALA A 106 -6.221 4.463 -16.054 1.00 1.67 H new ATOM 0 HB2 ALA A 106 -4.744 4.801 -15.120 1.00 1.67 H new ATOM 0 HB3 ALA A 106 -4.938 3.235 -15.944 1.00 1.67 H new ATOM 1678 N GLY A 107 -7.626 1.636 -13.437 1.00 2.35 N ATOM 1679 CA GLY A 107 -8.508 0.477 -13.574 1.00 3.59 C ATOM 1680 C GLY A 107 -7.775 -0.711 -14.199 1.00 3.32 C ATOM 1681 O GLY A 107 -7.422 -1.662 -13.505 1.00 4.48 O ATOM 0 H GLY A 107 -7.271 1.751 -12.488 1.00 2.35 H new ATOM 0 HA2 GLY A 107 -8.894 0.194 -12.595 1.00 3.59 H new ATOM 0 HA3 GLY A 107 -9.367 0.742 -14.191 1.00 3.59 H new ATOM 1685 N GLY A 108 -7.573 -0.655 -15.519 1.00 2.07 N ATOM 1686 CA GLY A 108 -7.274 -1.828 -16.349 1.00 1.95 C ATOM 1687 C GLY A 108 -5.901 -2.464 -16.131 1.00 1.83 C ATOM 1688 O GLY A 108 -5.773 -3.685 -16.224 1.00 2.66 O ATOM 0 H GLY A 108 -7.613 0.216 -16.048 1.00 2.07 H new ATOM 0 HA2 GLY A 108 -8.037 -2.584 -16.165 1.00 1.95 H new ATOM 0 HA3 GLY A 108 -7.358 -1.539 -17.397 1.00 1.95 H new ATOM 1692 N LYS A 109 -4.847 -1.695 -15.823 1.00 1.06 N ATOM 1693 CA LYS A 109 -3.534 -2.308 -15.590 1.00 0.96 C ATOM 1694 C LYS A 109 -3.470 -2.903 -14.186 1.00 1.03 C ATOM 1695 O LYS A 109 -3.006 -2.270 -13.255 1.00 1.77 O ATOM 1696 CB LYS A 109 -2.354 -1.360 -15.871 1.00 0.89 C ATOM 1697 CG LYS A 109 -1.270 -2.008 -16.723 1.00 1.57 C ATOM 1698 CD LYS A 109 -0.504 -3.194 -16.103 1.00 3.74 C ATOM 1699 CE LYS A 109 0.382 -2.809 -14.906 1.00 5.26 C ATOM 1700 NZ LYS A 109 -0.261 -3.069 -13.593 1.00 7.24 N ATOM 0 H LYS A 109 -4.874 -0.679 -15.732 1.00 1.06 H new ATOM 0 HA LYS A 109 -3.426 -3.115 -16.315 1.00 0.96 H new ATOM 0 HB2 LYS A 109 -2.723 -0.467 -16.376 1.00 0.89 H new ATOM 0 HB3 LYS A 109 -1.921 -1.035 -14.925 1.00 0.89 H new ATOM 0 HG2 LYS A 109 -1.728 -2.350 -17.651 1.00 1.57 H new ATOM 0 HG3 LYS A 109 -0.545 -1.239 -16.990 1.00 1.57 H new ATOM 0 HD2 LYS A 109 -1.222 -3.949 -15.783 1.00 3.74 H new ATOM 0 HD3 LYS A 109 0.119 -3.652 -16.871 1.00 3.74 H new ATOM 0 HE2 LYS A 109 1.318 -3.365 -14.961 1.00 5.26 H new ATOM 0 HE3 LYS A 109 0.636 -1.751 -14.976 1.00 5.26 H new ATOM 0 HZ1 LYS A 109 0.162 -2.451 -12.871 1.00 7.24 H new ATOM 0 HZ2 LYS A 109 -1.280 -2.875 -13.661 1.00 7.24 H new ATOM 0 HZ3 LYS A 109 -0.115 -4.063 -13.326 1.00 7.24 H new ATOM 1714 N VAL A 110 -3.780 -4.168 -14.061 1.00 0.90 N ATOM 1715 CA VAL A 110 -3.539 -4.993 -12.870 1.00 0.90 C ATOM 1716 C VAL A 110 -2.197 -5.712 -13.043 1.00 0.88 C ATOM 1717 O VAL A 110 -1.905 -6.248 -14.112 1.00 0.97 O ATOM 1718 CB VAL A 110 -4.735 -5.927 -12.561 1.00 0.91 C ATOM 1719 CG1 VAL A 110 -5.418 -6.452 -13.828 1.00 0.95 C ATOM 1720 CG2 VAL A 110 -4.365 -7.075 -11.617 1.00 1.12 C ATOM 0 H VAL A 110 -4.229 -4.690 -14.814 1.00 0.90 H new ATOM 0 HA VAL A 110 -3.465 -4.366 -11.981 1.00 0.90 H new ATOM 0 HB VAL A 110 -5.460 -5.303 -12.038 1.00 0.91 H new ATOM 0 HG11 VAL A 110 -6.249 -7.101 -13.551 1.00 0.95 H new ATOM 0 HG12 VAL A 110 -5.793 -5.613 -14.414 1.00 0.95 H new ATOM 0 HG13 VAL A 110 -4.699 -7.016 -14.422 1.00 0.95 H new ATOM 0 HG21 VAL A 110 -5.243 -7.696 -11.437 1.00 1.12 H new ATOM 0 HG22 VAL A 110 -3.580 -7.680 -12.070 1.00 1.12 H new ATOM 0 HG23 VAL A 110 -4.009 -6.668 -10.671 1.00 1.12 H new ATOM 1730 N LEU A 111 -1.326 -5.603 -12.036 1.00 0.79 N ATOM 1731 CA LEU A 111 -0.042 -6.310 -11.952 1.00 0.86 C ATOM 1732 C LEU A 111 -0.184 -7.582 -11.102 1.00 1.26 C ATOM 1733 O LEU A 111 -1.242 -7.847 -10.545 1.00 2.53 O ATOM 1734 CB LEU A 111 1.020 -5.347 -11.360 1.00 1.35 C ATOM 1735 CG LEU A 111 2.261 -5.138 -12.251 1.00 2.11 C ATOM 1736 CD1 LEU A 111 3.136 -4.029 -11.651 1.00 2.69 C ATOM 1737 CD2 LEU A 111 3.092 -6.413 -12.435 1.00 3.43 C ATOM 0 H LEU A 111 -1.499 -5.002 -11.231 1.00 0.79 H new ATOM 0 HA LEU A 111 0.278 -6.621 -12.947 1.00 0.86 H new ATOM 0 HB2 LEU A 111 0.553 -4.379 -11.177 1.00 1.35 H new ATOM 0 HB3 LEU A 111 1.343 -5.733 -10.393 1.00 1.35 H new ATOM 0 HG LEU A 111 1.903 -4.853 -13.240 1.00 2.11 H new ATOM 0 HD11 LEU A 111 4.014 -3.879 -12.279 1.00 2.69 H new ATOM 0 HD12 LEU A 111 2.564 -3.102 -11.599 1.00 2.69 H new ATOM 0 HD13 LEU A 111 3.452 -4.317 -10.648 1.00 2.69 H new ATOM 0 HD21 LEU A 111 3.950 -6.199 -13.072 1.00 3.43 H new ATOM 0 HD22 LEU A 111 3.439 -6.764 -11.463 1.00 3.43 H new ATOM 0 HD23 LEU A 111 2.478 -7.184 -12.901 1.00 3.43 H new ATOM 1749 N LYS A 112 0.906 -8.335 -10.939 1.00 1.00 N ATOM 1750 CA LYS A 112 1.130 -9.217 -9.803 1.00 1.13 C ATOM 1751 C LYS A 112 2.567 -9.007 -9.302 1.00 1.09 C ATOM 1752 O LYS A 112 3.513 -9.205 -10.061 1.00 1.31 O ATOM 1753 CB LYS A 112 0.918 -10.674 -10.228 1.00 1.50 C ATOM 1754 CG LYS A 112 -0.568 -11.032 -10.410 1.00 1.70 C ATOM 1755 CD LYS A 112 -0.858 -12.539 -10.311 1.00 1.60 C ATOM 1756 CE LYS A 112 -0.600 -13.151 -8.921 1.00 1.69 C ATOM 1757 NZ LYS A 112 -1.578 -12.731 -7.890 1.00 2.54 N ATOM 0 H LYS A 112 1.672 -8.345 -11.612 1.00 1.00 H new ATOM 0 HA LYS A 112 0.426 -8.989 -9.002 1.00 1.13 H new ATOM 0 HB2 LYS A 112 1.448 -10.856 -11.163 1.00 1.50 H new ATOM 0 HB3 LYS A 112 1.357 -11.334 -9.479 1.00 1.50 H new ATOM 0 HG2 LYS A 112 -1.154 -10.508 -9.655 1.00 1.70 H new ATOM 0 HG3 LYS A 112 -0.903 -10.670 -11.382 1.00 1.70 H new ATOM 0 HD2 LYS A 112 -1.899 -12.714 -10.583 1.00 1.60 H new ATOM 0 HD3 LYS A 112 -0.244 -13.063 -11.044 1.00 1.60 H new ATOM 0 HE2 LYS A 112 -0.618 -14.238 -9.004 1.00 1.69 H new ATOM 0 HE3 LYS A 112 0.402 -12.873 -8.593 1.00 1.69 H new ATOM 0 HZ1 LYS A 112 -1.372 -13.221 -6.996 1.00 2.54 H new ATOM 0 HZ2 LYS A 112 -1.510 -11.703 -7.746 1.00 2.54 H new ATOM 0 HZ3 LYS A 112 -2.539 -12.974 -8.204 1.00 2.54 H new ATOM 1771 N VAL A 113 2.718 -8.590 -8.051 1.00 0.92 N ATOM 1772 CA VAL A 113 3.990 -8.521 -7.328 1.00 0.94 C ATOM 1773 C VAL A 113 3.834 -9.381 -6.068 1.00 0.89 C ATOM 1774 O VAL A 113 2.727 -9.792 -5.730 1.00 0.88 O ATOM 1775 CB VAL A 113 4.387 -7.055 -6.987 1.00 0.99 C ATOM 1776 CG1 VAL A 113 5.898 -6.928 -6.714 1.00 2.27 C ATOM 1777 CG2 VAL A 113 4.031 -6.061 -8.111 1.00 2.71 C ATOM 0 H VAL A 113 1.928 -8.277 -7.486 1.00 0.92 H new ATOM 0 HA VAL A 113 4.802 -8.900 -7.949 1.00 0.94 H new ATOM 0 HB VAL A 113 3.814 -6.806 -6.094 1.00 0.99 H new ATOM 0 HG11 VAL A 113 6.139 -5.891 -6.479 1.00 2.27 H new ATOM 0 HG12 VAL A 113 6.170 -7.564 -5.871 1.00 2.27 H new ATOM 0 HG13 VAL A 113 6.455 -7.239 -7.598 1.00 2.27 H new ATOM 0 HG21 VAL A 113 4.331 -5.056 -7.816 1.00 2.71 H new ATOM 0 HG22 VAL A 113 4.554 -6.343 -9.025 1.00 2.71 H new ATOM 0 HG23 VAL A 113 2.956 -6.081 -8.287 1.00 2.71 H new ATOM 1787 N VAL A 114 4.933 -9.660 -5.380 1.00 0.99 N ATOM 1788 CA VAL A 114 4.996 -10.329 -4.090 1.00 1.04 C ATOM 1789 C VAL A 114 5.785 -9.449 -3.111 1.00 1.11 C ATOM 1790 O VAL A 114 6.729 -8.782 -3.539 1.00 1.24 O ATOM 1791 CB VAL A 114 5.599 -11.733 -4.214 1.00 1.24 C ATOM 1792 CG1 VAL A 114 4.619 -12.743 -4.827 1.00 1.96 C ATOM 1793 CG2 VAL A 114 6.894 -11.677 -5.008 1.00 2.57 C ATOM 0 H VAL A 114 5.858 -9.410 -5.729 1.00 0.99 H new ATOM 0 HA VAL A 114 3.986 -10.466 -3.704 1.00 1.04 H new ATOM 0 HB VAL A 114 5.815 -12.086 -3.206 1.00 1.24 H new ATOM 0 HG11 VAL A 114 5.097 -13.720 -4.892 1.00 1.96 H new ATOM 0 HG12 VAL A 114 3.730 -12.814 -4.200 1.00 1.96 H new ATOM 0 HG13 VAL A 114 4.333 -12.412 -5.825 1.00 1.96 H new ATOM 0 HG21 VAL A 114 7.314 -12.679 -5.090 1.00 2.57 H new ATOM 0 HG22 VAL A 114 6.693 -11.285 -6.005 1.00 2.57 H new ATOM 0 HG23 VAL A 114 7.605 -11.026 -4.499 1.00 2.57 H new ATOM 1803 N LEU A 115 5.414 -9.418 -1.825 1.00 1.14 N ATOM 1804 CA LEU A 115 6.149 -8.714 -0.760 1.00 1.26 C ATOM 1805 C LEU A 115 6.107 -9.496 0.566 1.00 1.35 C ATOM 1806 O LEU A 115 5.053 -10.048 0.899 1.00 1.51 O ATOM 1807 CB LEU A 115 5.564 -7.309 -0.540 1.00 1.52 C ATOM 1808 CG LEU A 115 5.869 -6.298 -1.661 1.00 1.95 C ATOM 1809 CD1 LEU A 115 5.100 -5.013 -1.358 1.00 2.48 C ATOM 1810 CD2 LEU A 115 7.368 -5.971 -1.777 1.00 2.39 C ATOM 0 H LEU A 115 4.577 -9.891 -1.486 1.00 1.14 H new ATOM 0 HA LEU A 115 7.187 -8.632 -1.082 1.00 1.26 H new ATOM 0 HB2 LEU A 115 4.483 -7.394 -0.432 1.00 1.52 H new ATOM 0 HB3 LEU A 115 5.949 -6.914 0.400 1.00 1.52 H new ATOM 0 HG LEU A 115 5.565 -6.741 -2.609 1.00 1.95 H new ATOM 0 HD11 LEU A 115 5.298 -4.278 -2.138 1.00 2.48 H new ATOM 0 HD12 LEU A 115 4.032 -5.228 -1.325 1.00 2.48 H new ATOM 0 HD13 LEU A 115 5.421 -4.616 -0.395 1.00 2.48 H new ATOM 0 HD21 LEU A 115 7.523 -5.254 -2.583 1.00 2.39 H new ATOM 0 HD22 LEU A 115 7.721 -5.544 -0.838 1.00 2.39 H new ATOM 0 HD23 LEU A 115 7.924 -6.884 -1.992 1.00 2.39 H new ATOM 1822 N PRO A 116 7.203 -9.531 1.351 1.00 1.33 N ATOM 1823 CA PRO A 116 7.323 -10.361 2.549 1.00 1.32 C ATOM 1824 C PRO A 116 6.290 -10.035 3.633 1.00 1.07 C ATOM 1825 O PRO A 116 5.926 -8.879 3.865 1.00 1.10 O ATOM 1826 CB PRO A 116 8.763 -10.187 3.049 1.00 1.51 C ATOM 1827 CG PRO A 116 9.208 -8.867 2.424 1.00 1.47 C ATOM 1828 CD PRO A 116 8.470 -8.868 1.089 1.00 1.33 C ATOM 0 HA PRO A 116 7.111 -11.401 2.300 1.00 1.32 H new ATOM 0 HB2 PRO A 116 8.807 -10.149 4.137 1.00 1.51 H new ATOM 0 HB3 PRO A 116 9.399 -11.014 2.733 1.00 1.51 H new ATOM 0 HG2 PRO A 116 8.930 -8.012 3.041 1.00 1.47 H new ATOM 0 HG3 PRO A 116 10.289 -8.826 2.290 1.00 1.47 H new ATOM 0 HD2 PRO A 116 8.314 -7.852 0.725 1.00 1.33 H new ATOM 0 HD3 PRO A 116 9.040 -9.397 0.325 1.00 1.33 H new ATOM 1836 N VAL A 117 5.850 -11.080 4.335 1.00 0.94 N ATOM 1837 CA VAL A 117 5.065 -10.968 5.560 1.00 0.81 C ATOM 1838 C VAL A 117 6.017 -10.646 6.714 1.00 0.86 C ATOM 1839 O VAL A 117 6.982 -11.378 6.948 1.00 1.06 O ATOM 1840 CB VAL A 117 4.326 -12.283 5.856 1.00 0.95 C ATOM 1841 CG1 VAL A 117 3.523 -12.106 7.141 1.00 0.98 C ATOM 1842 CG2 VAL A 117 3.327 -12.668 4.758 1.00 1.14 C ATOM 0 H VAL A 117 6.034 -12.045 4.061 1.00 0.94 H new ATOM 0 HA VAL A 117 4.322 -10.179 5.443 1.00 0.81 H new ATOM 0 HB VAL A 117 5.082 -13.065 5.928 1.00 0.95 H new ATOM 0 HG11 VAL A 117 2.991 -13.030 7.368 1.00 0.98 H new ATOM 0 HG12 VAL A 117 4.198 -11.865 7.962 1.00 0.98 H new ATOM 0 HG13 VAL A 117 2.805 -11.296 7.013 1.00 0.98 H new ATOM 0 HG21 VAL A 117 2.837 -13.605 5.024 1.00 1.14 H new ATOM 0 HG22 VAL A 117 2.578 -11.883 4.656 1.00 1.14 H new ATOM 0 HG23 VAL A 117 3.855 -12.791 3.812 1.00 1.14 H new ATOM 1852 N GLU A 118 5.732 -9.568 7.440 1.00 0.84 N ATOM 1853 CA GLU A 118 6.649 -8.970 8.412 1.00 1.00 C ATOM 1854 C GLU A 118 5.863 -8.236 9.512 1.00 1.14 C ATOM 1855 O GLU A 118 4.666 -8.001 9.362 1.00 1.25 O ATOM 1856 CB GLU A 118 7.638 -8.072 7.647 1.00 1.22 C ATOM 1857 CG GLU A 118 9.080 -8.178 8.144 1.00 1.61 C ATOM 1858 CD GLU A 118 9.446 -6.954 8.959 1.00 2.36 C ATOM 1859 OE1 GLU A 118 9.032 -6.881 10.136 1.00 3.08 O ATOM 1860 OE2 GLU A 118 10.136 -6.075 8.401 1.00 3.21 O ATOM 0 H GLU A 118 4.842 -9.075 7.369 1.00 0.84 H new ATOM 0 HA GLU A 118 7.228 -9.732 8.933 1.00 1.00 H new ATOM 0 HB2 GLU A 118 7.608 -8.333 6.589 1.00 1.22 H new ATOM 0 HB3 GLU A 118 7.311 -7.035 7.729 1.00 1.22 H new ATOM 0 HG2 GLU A 118 9.198 -9.076 8.751 1.00 1.61 H new ATOM 0 HG3 GLU A 118 9.758 -8.275 7.296 1.00 1.61 H new ATOM 1867 N ALA A 119 6.493 -7.957 10.654 1.00 1.33 N ATOM 1868 CA ALA A 119 5.813 -7.738 11.941 1.00 1.37 C ATOM 1869 C ALA A 119 5.737 -6.265 12.382 1.00 1.58 C ATOM 1870 O ALA A 119 5.308 -5.977 13.501 1.00 2.51 O ATOM 1871 CB ALA A 119 6.536 -8.606 12.981 1.00 1.66 C ATOM 0 H ALA A 119 7.508 -7.874 10.717 1.00 1.33 H new ATOM 0 HA ALA A 119 4.767 -8.025 11.835 1.00 1.37 H new ATOM 0 HB1 ALA A 119 6.064 -8.476 13.955 1.00 1.66 H new ATOM 0 HB2 ALA A 119 6.476 -9.654 12.686 1.00 1.66 H new ATOM 0 HB3 ALA A 119 7.582 -8.306 13.041 1.00 1.66 H new ATOM 1877 N ARG A 120 6.178 -5.358 11.508 1.00 1.48 N ATOM 1878 CA ARG A 120 6.240 -3.904 11.722 1.00 1.60 C ATOM 1879 C ARG A 120 4.873 -3.253 11.521 1.00 1.85 C ATOM 1880 O ARG A 120 4.475 -3.014 10.360 1.00 2.77 O ATOM 1881 CB ARG A 120 7.331 -3.324 10.806 1.00 1.95 C ATOM 1882 CG ARG A 120 8.745 -3.627 11.315 1.00 2.38 C ATOM 1883 CD ARG A 120 9.791 -3.240 10.260 1.00 2.58 C ATOM 1884 NE ARG A 120 11.150 -3.194 10.836 1.00 3.31 N ATOM 1885 CZ ARG A 120 12.197 -3.929 10.509 1.00 4.16 C ATOM 1886 NH1 ARG A 120 12.172 -4.864 9.615 1.00 4.57 N ATOM 1887 NH2 ARG A 120 13.342 -3.720 11.098 1.00 5.30 N ATOM 1888 OXT ARG A 120 4.197 -3.012 12.544 1.00 2.72 O ATOM 0 H ARG A 120 6.519 -5.627 10.585 1.00 1.48 H new ATOM 0 HA ARG A 120 6.510 -3.685 12.755 1.00 1.60 H new ATOM 0 HB2 ARG A 120 7.214 -3.733 9.802 1.00 1.95 H new ATOM 0 HB3 ARG A 120 7.200 -2.245 10.728 1.00 1.95 H new ATOM 0 HG2 ARG A 120 8.931 -3.078 12.238 1.00 2.38 H new ATOM 0 HG3 ARG A 120 8.833 -4.687 11.551 1.00 2.38 H new ATOM 0 HD2 ARG A 120 9.766 -3.959 9.441 1.00 2.58 H new ATOM 0 HD3 ARG A 120 9.541 -2.267 9.838 1.00 2.58 H new ATOM 0 HE ARG A 120 11.298 -2.510 11.578 1.00 3.31 H new ATOM 0 HH11 ARG A 120 11.307 -5.069 9.116 1.00 4.57 H new ATOM 0 HH12 ARG A 120 13.018 -5.396 9.409 1.00 4.57 H new ATOM 0 HH21 ARG A 120 13.425 -2.992 11.807 1.00 5.30 H new ATOM 0 HH22 ARG A 120 14.154 -4.285 10.849 1.00 5.30 H new