USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 HIS : no HE2:sc= -0.0489 K(o=-0.19,f=-0.92) USER MOD Set 1.2: A 85 MET CE :methyl -173:sc= -0.143 (180deg=-0.184) USER MOD Set 2.1: A 48 THR OG1 : rot 170:sc= -0.0217 USER MOD Set 2.2: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 84:sc= 1.66 USER MOD Single : A 15 ASN : amide:sc= 0.014 K(o=0.014,f=-4.1!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.836 K(o=0.84,f=-3.1) USER MOD Single : A 37 THR OG1 : rot 91:sc= 1.28 USER MOD Single : A 46 HIS : no HD1:sc= -0.833 K(o=-0.83,f=-4.1!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -135:sc= 0.302 (180deg=-1.59!) USER MOD Single : A 57 LYS NZ :NH3+ 139:sc= 1.39 (180deg=0.959) USER MOD Single : A 59 MET CE :methyl 169:sc= -0.0397 (180deg=-0.315) USER MOD Single : A 72 LYS NZ :NH3+ 143:sc= 0.612! (180deg=0.0151!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 175:sc= 0.825 (180deg=0.785) USER MOD Single : A 94 LYS NZ :NH3+ 146:sc= 1.93 (180deg=-2!) USER MOD Single : A 109 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0881) USER MOD Single : A 112 LYS NZ :NH3+ -169:sc= 0.909 (180deg=0.639) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 12.036 -3.944 -0.285 1.00 2.36 N ATOM 56 CA GLU A 5 10.973 -4.706 -0.959 1.00 1.33 C ATOM 57 C GLU A 5 9.642 -4.514 -0.203 1.00 1.31 C ATOM 58 O GLU A 5 9.591 -3.822 0.817 1.00 1.98 O ATOM 59 CB GLU A 5 11.414 -6.178 -1.067 1.00 2.65 C ATOM 60 CG GLU A 5 10.504 -7.068 -1.929 1.00 4.12 C ATOM 61 CD GLU A 5 11.142 -8.417 -2.243 1.00 5.13 C ATOM 62 OE1 GLU A 5 11.287 -9.218 -1.295 1.00 6.02 O ATOM 63 OE2 GLU A 5 11.438 -8.649 -3.433 1.00 5.63 O ATOM 0 HA GLU A 5 10.804 -4.344 -1.973 1.00 1.33 H new ATOM 0 HB2 GLU A 5 12.423 -6.210 -1.478 1.00 2.65 H new ATOM 0 HB3 GLU A 5 11.465 -6.601 -0.064 1.00 2.65 H new ATOM 0 HG2 GLU A 5 9.559 -7.228 -1.410 1.00 4.12 H new ATOM 0 HG3 GLU A 5 10.273 -6.552 -2.861 1.00 4.12 H new ATOM 70 N GLY A 6 8.545 -5.087 -0.708 1.00 1.16 N ATOM 71 CA GLY A 6 7.228 -5.040 -0.073 1.00 1.26 C ATOM 72 C GLY A 6 6.861 -6.292 0.697 1.00 1.42 C ATOM 73 O GLY A 6 6.861 -7.382 0.135 1.00 2.09 O ATOM 0 H GLY A 6 8.550 -5.606 -1.586 1.00 1.16 H new ATOM 0 HA2 GLY A 6 7.195 -4.188 0.606 1.00 1.26 H new ATOM 0 HA3 GLY A 6 6.474 -4.866 -0.840 1.00 1.26 H new ATOM 77 N TRP A 7 6.456 -6.101 1.949 1.00 1.07 N ATOM 78 CA TRP A 7 5.969 -7.160 2.829 1.00 1.14 C ATOM 79 C TRP A 7 4.522 -6.906 3.293 1.00 1.07 C ATOM 80 O TRP A 7 3.925 -5.861 3.025 1.00 1.26 O ATOM 81 CB TRP A 7 6.936 -7.289 4.024 1.00 1.30 C ATOM 82 CG TRP A 7 6.802 -6.253 5.101 1.00 1.45 C ATOM 83 CD1 TRP A 7 6.220 -6.466 6.301 1.00 1.70 C ATOM 84 CD2 TRP A 7 7.245 -4.858 5.120 1.00 1.48 C ATOM 85 NE1 TRP A 7 6.229 -5.306 7.042 1.00 1.84 N ATOM 86 CE2 TRP A 7 6.861 -4.282 6.370 1.00 1.73 C ATOM 87 CE3 TRP A 7 7.935 -4.019 4.215 1.00 1.41 C ATOM 88 CZ2 TRP A 7 7.131 -2.944 6.699 1.00 1.90 C ATOM 89 CZ3 TRP A 7 8.202 -2.674 4.531 1.00 1.62 C ATOM 90 CH2 TRP A 7 7.801 -2.135 5.767 1.00 1.86 C ATOM 0 H TRP A 7 6.457 -5.182 2.392 1.00 1.07 H new ATOM 0 HA TRP A 7 5.944 -8.100 2.277 1.00 1.14 H new ATOM 0 HB2 TRP A 7 6.794 -8.271 4.474 1.00 1.30 H new ATOM 0 HB3 TRP A 7 7.957 -7.257 3.643 1.00 1.30 H new ATOM 0 HD1 TRP A 7 5.808 -7.408 6.631 1.00 1.70 H new ATOM 0 HE1 TRP A 7 5.819 -5.216 7.972 1.00 1.84 H new ATOM 0 HE3 TRP A 7 8.262 -4.417 3.266 1.00 1.41 H new ATOM 0 HZ2 TRP A 7 6.828 -2.543 7.655 1.00 1.90 H new ATOM 0 HZ3 TRP A 7 8.720 -2.050 3.818 1.00 1.62 H new ATOM 0 HH2 TRP A 7 8.008 -1.101 5.999 1.00 1.86 H new ATOM 101 N VAL A 8 3.978 -7.857 4.054 1.00 0.95 N ATOM 102 CA VAL A 8 2.763 -7.676 4.862 1.00 0.92 C ATOM 103 C VAL A 8 3.088 -8.029 6.322 1.00 1.06 C ATOM 104 O VAL A 8 3.763 -9.018 6.586 1.00 1.16 O ATOM 105 CB VAL A 8 1.603 -8.533 4.304 1.00 0.95 C ATOM 106 CG1 VAL A 8 0.311 -8.295 5.103 1.00 1.01 C ATOM 107 CG2 VAL A 8 1.319 -8.230 2.821 1.00 1.04 C ATOM 0 H VAL A 8 4.374 -8.794 4.130 1.00 0.95 H new ATOM 0 HA VAL A 8 2.434 -6.638 4.817 1.00 0.92 H new ATOM 0 HB VAL A 8 1.918 -9.572 4.399 1.00 0.95 H new ATOM 0 HG11 VAL A 8 -0.490 -8.909 4.691 1.00 1.01 H new ATOM 0 HG12 VAL A 8 0.474 -8.564 6.147 1.00 1.01 H new ATOM 0 HG13 VAL A 8 0.032 -7.243 5.038 1.00 1.01 H new ATOM 0 HG21 VAL A 8 0.497 -8.855 2.473 1.00 1.04 H new ATOM 0 HG22 VAL A 8 1.049 -7.180 2.709 1.00 1.04 H new ATOM 0 HG23 VAL A 8 2.210 -8.440 2.230 1.00 1.04 H new ATOM 117 N ARG A 9 2.643 -7.216 7.283 1.00 1.21 N ATOM 118 CA ARG A 9 2.818 -7.495 8.719 1.00 1.49 C ATOM 119 C ARG A 9 2.192 -8.822 9.176 1.00 1.67 C ATOM 120 O ARG A 9 1.064 -9.143 8.813 1.00 2.19 O ATOM 121 CB ARG A 9 2.302 -6.319 9.575 1.00 1.79 C ATOM 122 CG ARG A 9 0.785 -6.275 9.798 1.00 2.21 C ATOM 123 CD ARG A 9 -0.023 -6.211 8.508 1.00 3.70 C ATOM 124 NE ARG A 9 -1.452 -6.418 8.744 1.00 5.22 N ATOM 125 CZ ARG A 9 -2.407 -6.074 7.895 1.00 6.75 C ATOM 126 NH1 ARG A 9 -2.180 -5.302 6.861 1.00 7.28 N ATOM 127 NH2 ARG A 9 -3.639 -6.483 8.070 1.00 8.36 N ATOM 0 H ARG A 9 2.150 -6.344 7.092 1.00 1.21 H new ATOM 0 HA ARG A 9 3.892 -7.605 8.872 1.00 1.49 H new ATOM 0 HB2 ARG A 9 2.793 -6.359 10.547 1.00 1.79 H new ATOM 0 HB3 ARG A 9 2.608 -5.387 9.101 1.00 1.79 H new ATOM 0 HG2 ARG A 9 0.484 -7.158 10.361 1.00 2.21 H new ATOM 0 HG3 ARG A 9 0.542 -5.408 10.412 1.00 2.21 H new ATOM 0 HD2 ARG A 9 0.129 -5.242 8.033 1.00 3.70 H new ATOM 0 HD3 ARG A 9 0.343 -6.967 7.813 1.00 3.70 H new ATOM 0 HE ARG A 9 -1.731 -6.857 9.622 1.00 5.22 H new ATOM 0 HH11 ARG A 9 -1.241 -4.944 6.688 1.00 7.28 H new ATOM 0 HH12 ARG A 9 -2.943 -5.059 6.229 1.00 7.28 H new ATOM 0 HH21 ARG A 9 -3.872 -7.074 8.868 1.00 8.36 H new ATOM 0 HH22 ARG A 9 -4.366 -6.211 7.408 1.00 8.36 H new ATOM 141 N PHE A 10 2.874 -9.564 10.043 1.00 1.75 N ATOM 142 CA PHE A 10 2.423 -10.838 10.629 1.00 2.00 C ATOM 143 C PHE A 10 1.325 -10.706 11.717 1.00 2.31 C ATOM 144 O PHE A 10 1.298 -11.446 12.701 1.00 3.85 O ATOM 145 CB PHE A 10 3.659 -11.589 11.148 1.00 2.13 C ATOM 146 CG PHE A 10 4.077 -11.232 12.563 1.00 2.38 C ATOM 147 CD1 PHE A 10 4.143 -9.888 12.987 1.00 3.15 C ATOM 148 CD2 PHE A 10 4.202 -12.267 13.507 1.00 3.06 C ATOM 149 CE1 PHE A 10 4.269 -9.586 14.352 1.00 4.00 C ATOM 150 CE2 PHE A 10 4.325 -11.965 14.870 1.00 3.50 C ATOM 151 CZ PHE A 10 4.325 -10.624 15.296 1.00 3.81 C ATOM 0 H PHE A 10 3.798 -9.288 10.376 1.00 1.75 H new ATOM 0 HA PHE A 10 1.928 -11.405 9.841 1.00 2.00 H new ATOM 0 HB2 PHE A 10 3.461 -12.660 11.103 1.00 2.13 H new ATOM 0 HB3 PHE A 10 4.495 -11.391 10.477 1.00 2.13 H new ATOM 0 HD1 PHE A 10 4.097 -9.090 12.260 1.00 3.15 H new ATOM 0 HD2 PHE A 10 4.203 -13.297 13.181 1.00 3.06 H new ATOM 0 HE1 PHE A 10 4.323 -8.557 14.676 1.00 4.00 H new ATOM 0 HE2 PHE A 10 4.420 -12.761 15.593 1.00 3.50 H new ATOM 0 HZ PHE A 10 4.368 -10.393 16.350 1.00 3.81 H new ATOM 161 N SER A 11 0.485 -9.683 11.641 1.00 1.41 N ATOM 162 CA SER A 11 -0.272 -9.239 12.814 1.00 1.48 C ATOM 163 C SER A 11 -1.366 -10.241 13.247 1.00 1.54 C ATOM 164 O SER A 11 -2.164 -10.674 12.412 1.00 1.53 O ATOM 165 CB SER A 11 -0.875 -7.841 12.585 1.00 1.66 C ATOM 166 OG SER A 11 -1.728 -7.774 11.447 1.00 2.75 O ATOM 0 H SER A 11 0.308 -9.147 10.791 1.00 1.41 H new ATOM 0 HA SER A 11 0.443 -9.186 13.635 1.00 1.48 H new ATOM 0 HB2 SER A 11 -1.439 -7.547 13.470 1.00 1.66 H new ATOM 0 HB3 SER A 11 -0.067 -7.119 12.467 1.00 1.66 H new ATOM 0 HG SER A 11 -2.628 -8.074 11.694 1.00 2.75 H new ATOM 172 N PRO A 12 -1.489 -10.552 14.556 1.00 1.76 N ATOM 173 CA PRO A 12 -2.623 -11.308 15.092 1.00 1.94 C ATOM 174 C PRO A 12 -3.915 -10.473 15.116 1.00 1.90 C ATOM 175 O PRO A 12 -5.004 -11.042 15.123 1.00 2.26 O ATOM 176 CB PRO A 12 -2.191 -11.735 16.498 1.00 2.20 C ATOM 177 CG PRO A 12 -1.239 -10.620 16.930 1.00 2.22 C ATOM 178 CD PRO A 12 -0.552 -10.225 15.624 1.00 1.98 C ATOM 0 HA PRO A 12 -2.862 -12.168 14.466 1.00 1.94 H new ATOM 0 HB2 PRO A 12 -3.043 -11.819 17.172 1.00 2.20 H new ATOM 0 HB3 PRO A 12 -1.695 -12.706 16.489 1.00 2.20 H new ATOM 0 HG2 PRO A 12 -1.776 -9.781 17.373 1.00 2.22 H new ATOM 0 HG3 PRO A 12 -0.522 -10.968 17.673 1.00 2.22 H new ATOM 0 HD2 PRO A 12 -0.310 -9.162 15.618 1.00 1.98 H new ATOM 0 HD3 PRO A 12 0.386 -10.766 15.498 1.00 1.98 H new ATOM 186 N GLY A 13 -3.818 -9.135 15.075 1.00 2.27 N ATOM 187 CA GLY A 13 -4.942 -8.269 14.724 1.00 2.17 C ATOM 188 C GLY A 13 -5.131 -8.302 13.202 1.00 2.62 C ATOM 189 O GLY A 13 -4.180 -7.965 12.493 1.00 3.52 O ATOM 0 H GLY A 13 -2.958 -8.629 15.285 1.00 2.27 H new ATOM 0 HA2 GLY A 13 -5.850 -8.606 15.225 1.00 2.17 H new ATOM 0 HA3 GLY A 13 -4.753 -7.249 15.059 1.00 2.17 H new ATOM 193 N PRO A 14 -6.317 -8.676 12.677 1.00 2.59 N ATOM 194 CA PRO A 14 -6.498 -8.879 11.246 1.00 3.39 C ATOM 195 C PRO A 14 -6.444 -7.565 10.460 1.00 2.79 C ATOM 196 O PRO A 14 -5.841 -7.525 9.394 1.00 3.88 O ATOM 197 CB PRO A 14 -7.848 -9.593 11.097 1.00 4.09 C ATOM 198 CG PRO A 14 -8.618 -9.186 12.352 1.00 3.56 C ATOM 199 CD PRO A 14 -7.517 -9.063 13.404 1.00 2.70 C ATOM 0 HA PRO A 14 -5.688 -9.477 10.827 1.00 3.39 H new ATOM 0 HB2 PRO A 14 -8.367 -9.281 10.191 1.00 4.09 H new ATOM 0 HB3 PRO A 14 -7.724 -10.674 11.037 1.00 4.09 H new ATOM 0 HG2 PRO A 14 -9.150 -8.245 12.212 1.00 3.56 H new ATOM 0 HG3 PRO A 14 -9.361 -9.934 12.630 1.00 3.56 H new ATOM 0 HD2 PRO A 14 -7.776 -8.318 14.156 1.00 2.70 H new ATOM 0 HD3 PRO A 14 -7.369 -10.007 13.928 1.00 2.70 H new ATOM 207 N ASN A 15 -7.029 -6.480 10.971 1.00 1.23 N ATOM 208 CA ASN A 15 -7.073 -5.209 10.245 1.00 0.66 C ATOM 209 C ASN A 15 -5.843 -4.343 10.583 1.00 1.22 C ATOM 210 O ASN A 15 -5.465 -4.261 11.752 1.00 1.67 O ATOM 211 CB ASN A 15 -8.381 -4.465 10.556 1.00 0.97 C ATOM 212 CG ASN A 15 -9.629 -5.351 10.492 1.00 3.04 C ATOM 213 OD1 ASN A 15 -9.807 -6.167 9.598 1.00 4.48 O ATOM 214 ND2 ASN A 15 -10.547 -5.211 11.432 1.00 4.14 N ATOM 0 H ASN A 15 -7.479 -6.456 11.886 1.00 1.23 H new ATOM 0 HA ASN A 15 -7.046 -5.416 9.175 1.00 0.66 H new ATOM 0 HB2 ASN A 15 -8.310 -4.026 11.551 1.00 0.97 H new ATOM 0 HB3 ASN A 15 -8.496 -3.641 9.851 1.00 0.97 H new ATOM 0 HD21 ASN A 15 -11.393 -5.780 11.407 1.00 4.14 H new ATOM 0 HD22 ASN A 15 -10.409 -4.534 12.182 1.00 4.14 H new ATOM 221 N ALA A 16 -5.241 -3.711 9.562 1.00 1.42 N ATOM 222 CA ALA A 16 -3.971 -2.956 9.579 1.00 2.08 C ATOM 223 C ALA A 16 -3.457 -2.646 8.151 1.00 1.35 C ATOM 224 O ALA A 16 -4.061 -3.055 7.156 1.00 0.60 O ATOM 225 CB ALA A 16 -2.909 -3.668 10.448 1.00 3.16 C ATOM 0 H ALA A 16 -5.659 -3.713 8.631 1.00 1.42 H new ATOM 0 HA ALA A 16 -4.170 -1.990 10.044 1.00 2.08 H new ATOM 0 HB1 ALA A 16 -1.986 -3.089 10.441 1.00 3.16 H new ATOM 0 HB2 ALA A 16 -3.275 -3.755 11.471 1.00 3.16 H new ATOM 0 HB3 ALA A 16 -2.717 -4.662 10.045 1.00 3.16 H new ATOM 231 N ALA A 17 -2.317 -1.943 8.066 1.00 1.95 N ATOM 232 CA ALA A 17 -1.669 -1.467 6.835 1.00 1.52 C ATOM 233 C ALA A 17 -0.806 -2.529 6.131 1.00 1.30 C ATOM 234 O ALA A 17 -0.197 -3.370 6.786 1.00 1.56 O ATOM 235 CB ALA A 17 -0.792 -0.255 7.191 1.00 1.63 C ATOM 0 H ALA A 17 -1.794 -1.677 8.900 1.00 1.95 H new ATOM 0 HA ALA A 17 -2.462 -1.208 6.133 1.00 1.52 H new ATOM 0 HB1 ALA A 17 -0.301 0.115 6.291 1.00 1.63 H new ATOM 0 HB2 ALA A 17 -1.415 0.533 7.615 1.00 1.63 H new ATOM 0 HB3 ALA A 17 -0.038 -0.553 7.920 1.00 1.63 H new ATOM 241 N ALA A 18 -0.710 -2.471 4.804 1.00 0.96 N ATOM 242 CA ALA A 18 0.204 -3.263 3.975 1.00 0.87 C ATOM 243 C ALA A 18 0.993 -2.359 3.014 1.00 0.66 C ATOM 244 O ALA A 18 0.564 -1.245 2.703 1.00 0.67 O ATOM 245 CB ALA A 18 -0.599 -4.343 3.239 1.00 1.18 C ATOM 0 H ALA A 18 -1.292 -1.843 4.250 1.00 0.96 H new ATOM 0 HA ALA A 18 0.943 -3.758 4.605 1.00 0.87 H new ATOM 0 HB1 ALA A 18 0.073 -4.937 2.620 1.00 1.18 H new ATOM 0 HB2 ALA A 18 -1.090 -4.990 3.966 1.00 1.18 H new ATOM 0 HB3 ALA A 18 -1.351 -3.870 2.608 1.00 1.18 H new ATOM 251 N TYR A 19 2.163 -2.833 2.585 1.00 0.80 N ATOM 252 CA TYR A 19 3.249 -2.000 2.047 1.00 0.86 C ATOM 253 C TYR A 19 3.839 -2.582 0.754 1.00 1.04 C ATOM 254 O TYR A 19 3.681 -3.772 0.488 1.00 1.42 O ATOM 255 CB TYR A 19 4.377 -1.917 3.095 1.00 1.05 C ATOM 256 CG TYR A 19 3.924 -1.925 4.543 1.00 1.07 C ATOM 257 CD1 TYR A 19 3.414 -0.757 5.138 1.00 1.52 C ATOM 258 CD2 TYR A 19 3.983 -3.127 5.278 1.00 2.38 C ATOM 259 CE1 TYR A 19 2.984 -0.783 6.479 1.00 1.57 C ATOM 260 CE2 TYR A 19 3.566 -3.160 6.618 1.00 2.45 C ATOM 261 CZ TYR A 19 3.073 -1.984 7.224 1.00 1.27 C ATOM 262 OH TYR A 19 2.708 -2.012 8.532 1.00 1.44 O ATOM 0 H TYR A 19 2.391 -3.827 2.600 1.00 0.80 H new ATOM 0 HA TYR A 19 2.833 -1.018 1.823 1.00 0.86 H new ATOM 0 HB2 TYR A 19 5.056 -2.756 2.940 1.00 1.05 H new ATOM 0 HB3 TYR A 19 4.949 -1.007 2.916 1.00 1.05 H new ATOM 0 HD1 TYR A 19 3.352 0.158 4.568 1.00 1.52 H new ATOM 0 HD2 TYR A 19 4.351 -4.027 4.808 1.00 2.38 H new ATOM 0 HE1 TYR A 19 2.587 0.111 6.938 1.00 1.57 H new ATOM 0 HE2 TYR A 19 3.622 -4.079 7.182 1.00 2.45 H new ATOM 0 HH TYR A 19 2.833 -2.917 8.887 1.00 1.44 H new ATOM 272 N LEU A 20 4.608 -1.772 0.008 1.00 0.87 N ATOM 273 CA LEU A 20 5.513 -2.224 -1.061 1.00 0.88 C ATOM 274 C LEU A 20 6.480 -1.156 -1.572 1.00 0.90 C ATOM 275 O LEU A 20 6.178 0.035 -1.555 1.00 0.89 O ATOM 276 CB LEU A 20 4.802 -2.950 -2.235 1.00 0.92 C ATOM 277 CG LEU A 20 4.007 -2.062 -3.209 1.00 1.08 C ATOM 278 CD1 LEU A 20 3.585 -2.891 -4.429 1.00 1.41 C ATOM 279 CD2 LEU A 20 2.756 -1.453 -2.571 1.00 1.42 C ATOM 0 H LEU A 20 4.618 -0.760 0.135 1.00 0.87 H new ATOM 0 HA LEU A 20 6.124 -2.971 -0.555 1.00 0.88 H new ATOM 0 HB2 LEU A 20 5.554 -3.494 -2.806 1.00 0.92 H new ATOM 0 HB3 LEU A 20 4.122 -3.691 -1.816 1.00 0.92 H new ATOM 0 HG LEU A 20 4.664 -1.242 -3.499 1.00 1.08 H new ATOM 0 HD11 LEU A 20 3.022 -2.262 -5.119 1.00 1.41 H new ATOM 0 HD12 LEU A 20 4.472 -3.277 -4.931 1.00 1.41 H new ATOM 0 HD13 LEU A 20 2.961 -3.724 -4.105 1.00 1.41 H new ATOM 0 HD21 LEU A 20 2.236 -0.837 -3.305 1.00 1.42 H new ATOM 0 HD22 LEU A 20 2.095 -2.251 -2.233 1.00 1.42 H new ATOM 0 HD23 LEU A 20 3.045 -0.837 -1.720 1.00 1.42 H new ATOM 291 N THR A 21 7.610 -1.608 -2.122 1.00 1.03 N ATOM 292 CA THR A 21 8.334 -0.876 -3.166 1.00 1.06 C ATOM 293 C THR A 21 7.577 -1.057 -4.474 1.00 1.02 C ATOM 294 O THR A 21 7.145 -2.167 -4.780 1.00 1.20 O ATOM 295 CB THR A 21 9.772 -1.380 -3.290 1.00 1.28 C ATOM 296 OG1 THR A 21 10.424 -1.047 -2.099 1.00 1.32 O ATOM 297 CG2 THR A 21 10.538 -0.681 -4.417 1.00 1.57 C ATOM 0 H THR A 21 8.049 -2.490 -1.857 1.00 1.03 H new ATOM 0 HA THR A 21 8.390 0.182 -2.911 1.00 1.06 H new ATOM 0 HB THR A 21 9.745 -2.450 -3.496 1.00 1.28 H new ATOM 0 HG1 THR A 21 11.353 -1.356 -2.137 1.00 1.32 H new ATOM 0 HG21 THR A 21 11.554 -1.074 -4.465 1.00 1.57 H new ATOM 0 HG22 THR A 21 10.034 -0.862 -5.366 1.00 1.57 H new ATOM 0 HG23 THR A 21 10.572 0.391 -4.223 1.00 1.57 H new ATOM 305 N LEU A 22 7.421 0.018 -5.248 1.00 1.07 N ATOM 306 CA LEU A 22 6.770 0.002 -6.561 1.00 1.11 C ATOM 307 C LEU A 22 7.398 1.075 -7.454 1.00 0.84 C ATOM 308 O LEU A 22 7.615 2.211 -7.015 1.00 0.84 O ATOM 309 CB LEU A 22 5.248 0.173 -6.354 1.00 1.44 C ATOM 310 CG LEU A 22 4.302 0.076 -7.571 1.00 1.54 C ATOM 311 CD1 LEU A 22 4.222 1.388 -8.361 1.00 1.93 C ATOM 312 CD2 LEU A 22 4.619 -1.111 -8.491 1.00 2.36 C ATOM 0 H LEU A 22 7.750 0.944 -4.975 1.00 1.07 H new ATOM 0 HA LEU A 22 6.920 -0.947 -7.076 1.00 1.11 H new ATOM 0 HB2 LEU A 22 4.930 -0.578 -5.631 1.00 1.44 H new ATOM 0 HB3 LEU A 22 5.088 1.147 -5.892 1.00 1.44 H new ATOM 0 HG LEU A 22 3.314 -0.111 -7.150 1.00 1.54 H new ATOM 0 HD11 LEU A 22 3.544 1.264 -9.205 1.00 1.93 H new ATOM 0 HD12 LEU A 22 3.852 2.182 -7.712 1.00 1.93 H new ATOM 0 HD13 LEU A 22 5.214 1.653 -8.728 1.00 1.93 H new ATOM 0 HD21 LEU A 22 3.918 -1.122 -9.326 1.00 2.36 H new ATOM 0 HD22 LEU A 22 5.636 -1.015 -8.872 1.00 2.36 H new ATOM 0 HD23 LEU A 22 4.528 -2.041 -7.929 1.00 2.36 H new ATOM 324 N GLU A 23 7.673 0.728 -8.709 1.00 0.83 N ATOM 325 CA GLU A 23 8.244 1.647 -9.687 1.00 0.81 C ATOM 326 C GLU A 23 7.712 1.417 -11.090 1.00 0.77 C ATOM 327 O GLU A 23 7.088 0.399 -11.389 1.00 0.93 O ATOM 328 CB GLU A 23 9.777 1.615 -9.656 1.00 1.26 C ATOM 329 CG GLU A 23 10.454 0.301 -10.055 1.00 1.60 C ATOM 330 CD GLU A 23 11.961 0.535 -10.177 1.00 2.47 C ATOM 331 OE1 GLU A 23 12.624 0.601 -9.108 1.00 3.19 O ATOM 332 OE2 GLU A 23 12.416 0.693 -11.331 1.00 3.47 O ATOM 0 H GLU A 23 7.504 -0.208 -9.078 1.00 0.83 H new ATOM 0 HA GLU A 23 7.923 2.647 -9.396 1.00 0.81 H new ATOM 0 HB2 GLU A 23 10.145 2.400 -10.317 1.00 1.26 H new ATOM 0 HB3 GLU A 23 10.101 1.870 -8.647 1.00 1.26 H new ATOM 0 HG2 GLU A 23 10.251 -0.468 -9.310 1.00 1.60 H new ATOM 0 HG3 GLU A 23 10.051 -0.058 -11.002 1.00 1.60 H new ATOM 339 N ASN A 24 7.966 2.408 -11.936 1.00 0.73 N ATOM 340 CA ASN A 24 7.509 2.467 -13.304 1.00 0.71 C ATOM 341 C ASN A 24 8.710 2.412 -14.268 1.00 0.74 C ATOM 342 O ASN A 24 9.223 3.458 -14.658 1.00 0.88 O ATOM 343 CB ASN A 24 6.698 3.759 -13.459 1.00 0.68 C ATOM 344 CG ASN A 24 5.993 3.817 -14.803 1.00 0.69 C ATOM 345 OD1 ASN A 24 6.112 2.939 -15.646 1.00 0.75 O ATOM 346 ND2 ASN A 24 5.192 4.837 -15.014 1.00 0.76 N ATOM 0 H ASN A 24 8.519 3.222 -11.669 1.00 0.73 H new ATOM 0 HA ASN A 24 6.877 1.614 -13.550 1.00 0.71 H new ATOM 0 HB2 ASN A 24 5.962 3.826 -12.658 1.00 0.68 H new ATOM 0 HB3 ASN A 24 7.359 4.619 -13.357 1.00 0.68 H new ATOM 0 HD21 ASN A 24 4.665 4.900 -15.885 1.00 0.76 H new ATOM 0 HD22 ASN A 24 5.097 5.566 -14.307 1.00 0.76 H new ATOM 353 N PRO A 25 9.150 1.218 -14.704 1.00 0.84 N ATOM 354 CA PRO A 25 10.213 1.089 -15.698 1.00 0.87 C ATOM 355 C PRO A 25 9.755 1.467 -17.118 1.00 0.93 C ATOM 356 O PRO A 25 10.589 1.519 -18.021 1.00 0.99 O ATOM 357 CB PRO A 25 10.655 -0.375 -15.605 1.00 1.07 C ATOM 358 CG PRO A 25 9.369 -1.095 -15.202 1.00 1.21 C ATOM 359 CD PRO A 25 8.701 -0.095 -14.261 1.00 1.05 C ATOM 0 HA PRO A 25 11.032 1.780 -15.496 1.00 0.87 H new ATOM 0 HB2 PRO A 25 11.042 -0.741 -16.556 1.00 1.07 H new ATOM 0 HB3 PRO A 25 11.444 -0.513 -14.865 1.00 1.07 H new ATOM 0 HG2 PRO A 25 8.743 -1.318 -16.066 1.00 1.21 H new ATOM 0 HG3 PRO A 25 9.575 -2.043 -14.705 1.00 1.21 H new ATOM 0 HD2 PRO A 25 7.615 -0.175 -14.310 1.00 1.05 H new ATOM 0 HD3 PRO A 25 8.988 -0.279 -13.226 1.00 1.05 H new ATOM 367 N GLY A 26 8.461 1.748 -17.331 1.00 0.95 N ATOM 368 CA GLY A 26 7.916 2.203 -18.608 1.00 1.00 C ATOM 369 C GLY A 26 8.059 3.709 -18.825 1.00 0.94 C ATOM 370 O GLY A 26 8.480 4.461 -17.949 1.00 0.92 O ATOM 0 H GLY A 26 7.753 1.662 -16.601 1.00 0.95 H new ATOM 0 HA2 GLY A 26 8.420 1.677 -19.418 1.00 1.00 H new ATOM 0 HA3 GLY A 26 6.861 1.934 -18.661 1.00 1.00 H new ATOM 374 N ASP A 27 7.712 4.133 -20.038 1.00 1.00 N ATOM 375 CA ASP A 27 7.894 5.498 -20.557 1.00 1.03 C ATOM 376 C ASP A 27 6.602 6.342 -20.520 1.00 1.06 C ATOM 377 O ASP A 27 6.618 7.526 -20.846 1.00 1.14 O ATOM 378 CB ASP A 27 8.474 5.383 -21.977 1.00 1.15 C ATOM 379 CG ASP A 27 9.837 4.685 -21.938 1.00 1.65 C ATOM 380 OD1 ASP A 27 9.874 3.438 -21.826 1.00 2.74 O ATOM 381 OD2 ASP A 27 10.865 5.384 -21.825 1.00 2.22 O ATOM 0 H ASP A 27 7.277 3.512 -20.720 1.00 1.00 H new ATOM 0 HA ASP A 27 8.585 6.038 -19.910 1.00 1.03 H new ATOM 0 HB2 ASP A 27 7.789 4.823 -22.613 1.00 1.15 H new ATOM 0 HB3 ASP A 27 8.578 6.375 -22.416 1.00 1.15 H new ATOM 386 N LEU A 28 5.492 5.749 -20.067 1.00 1.05 N ATOM 387 CA LEU A 28 4.207 6.410 -19.812 1.00 1.09 C ATOM 388 C LEU A 28 3.815 6.278 -18.322 1.00 1.01 C ATOM 389 O LEU A 28 4.338 5.390 -17.645 1.00 0.97 O ATOM 390 CB LEU A 28 3.180 5.870 -20.827 1.00 1.23 C ATOM 391 CG LEU A 28 2.798 4.376 -20.742 1.00 1.35 C ATOM 392 CD1 LEU A 28 1.878 4.056 -19.551 1.00 1.83 C ATOM 393 CD2 LEU A 28 2.068 3.980 -22.033 1.00 1.50 C ATOM 0 H LEU A 28 5.463 4.751 -19.859 1.00 1.05 H new ATOM 0 HA LEU A 28 4.260 7.487 -19.972 1.00 1.09 H new ATOM 0 HB2 LEU A 28 2.267 6.455 -20.722 1.00 1.23 H new ATOM 0 HB3 LEU A 28 3.567 6.060 -21.828 1.00 1.23 H new ATOM 0 HG LEU A 28 3.722 3.815 -20.606 1.00 1.35 H new ATOM 0 HD11 LEU A 28 1.646 2.991 -19.547 1.00 1.83 H new ATOM 0 HD12 LEU A 28 2.381 4.322 -18.621 1.00 1.83 H new ATOM 0 HD13 LEU A 28 0.955 4.628 -19.640 1.00 1.83 H new ATOM 0 HD21 LEU A 28 1.792 2.926 -21.987 1.00 1.50 H new ATOM 0 HD22 LEU A 28 1.169 4.586 -22.143 1.00 1.50 H new ATOM 0 HD23 LEU A 28 2.724 4.146 -22.887 1.00 1.50 H new ATOM 405 N PRO A 29 2.928 7.133 -17.770 1.00 1.03 N ATOM 406 CA PRO A 29 2.703 7.225 -16.328 1.00 0.95 C ATOM 407 C PRO A 29 1.805 6.093 -15.804 1.00 0.90 C ATOM 408 O PRO A 29 1.009 5.510 -16.542 1.00 1.03 O ATOM 409 CB PRO A 29 2.079 8.604 -16.100 1.00 1.05 C ATOM 410 CG PRO A 29 1.307 8.851 -17.396 1.00 1.19 C ATOM 411 CD PRO A 29 2.143 8.144 -18.464 1.00 1.17 C ATOM 0 HA PRO A 29 3.636 7.112 -15.776 1.00 0.95 H new ATOM 0 HB2 PRO A 29 1.421 8.611 -15.231 1.00 1.05 H new ATOM 0 HB3 PRO A 29 2.838 9.368 -15.931 1.00 1.05 H new ATOM 0 HG2 PRO A 29 0.298 8.442 -17.344 1.00 1.19 H new ATOM 0 HG3 PRO A 29 1.209 9.916 -17.606 1.00 1.19 H new ATOM 0 HD2 PRO A 29 1.503 7.688 -19.219 1.00 1.17 H new ATOM 0 HD3 PRO A 29 2.791 8.852 -18.981 1.00 1.17 H new ATOM 419 N LEU A 30 1.920 5.798 -14.504 1.00 0.76 N ATOM 420 CA LEU A 30 1.206 4.725 -13.806 1.00 0.78 C ATOM 421 C LEU A 30 0.431 5.304 -12.628 1.00 0.84 C ATOM 422 O LEU A 30 0.978 5.571 -11.561 1.00 1.39 O ATOM 423 CB LEU A 30 2.198 3.667 -13.316 1.00 0.86 C ATOM 424 CG LEU A 30 2.223 2.376 -14.146 1.00 1.07 C ATOM 425 CD1 LEU A 30 2.475 2.542 -15.648 1.00 2.28 C ATOM 426 CD2 LEU A 30 3.252 1.424 -13.540 1.00 1.97 C ATOM 0 H LEU A 30 2.539 6.322 -13.885 1.00 0.76 H new ATOM 0 HA LEU A 30 0.505 4.254 -14.496 1.00 0.78 H new ATOM 0 HB2 LEU A 30 3.198 4.100 -13.313 1.00 0.86 H new ATOM 0 HB3 LEU A 30 1.958 3.414 -12.283 1.00 0.86 H new ATOM 0 HG LEU A 30 1.211 1.975 -14.093 1.00 1.07 H new ATOM 0 HD11 LEU A 30 2.470 1.563 -16.128 1.00 2.28 H new ATOM 0 HD12 LEU A 30 1.691 3.163 -16.082 1.00 2.28 H new ATOM 0 HD13 LEU A 30 3.443 3.018 -15.804 1.00 2.28 H new ATOM 0 HD21 LEU A 30 3.280 0.502 -14.120 1.00 1.97 H new ATOM 0 HD22 LEU A 30 4.236 1.893 -13.556 1.00 1.97 H new ATOM 0 HD23 LEU A 30 2.975 1.197 -12.511 1.00 1.97 H new ATOM 438 N ARG A 31 -0.869 5.438 -12.839 1.00 0.56 N ATOM 439 CA ARG A 31 -1.856 5.822 -11.819 1.00 0.54 C ATOM 440 C ARG A 31 -2.460 4.593 -11.153 1.00 0.52 C ATOM 441 O ARG A 31 -3.140 3.818 -11.820 1.00 0.56 O ATOM 442 CB ARG A 31 -2.915 6.758 -12.415 1.00 0.55 C ATOM 443 CG ARG A 31 -3.892 7.299 -11.352 1.00 0.59 C ATOM 444 CD ARG A 31 -4.538 8.649 -11.695 1.00 0.69 C ATOM 445 NE ARG A 31 -5.039 8.735 -13.081 1.00 1.84 N ATOM 446 CZ ARG A 31 -4.563 9.524 -14.042 1.00 2.09 C ATOM 447 NH1 ARG A 31 -3.516 10.309 -13.887 1.00 2.01 N ATOM 448 NH2 ARG A 31 -5.153 9.522 -15.219 1.00 3.63 N ATOM 0 H ARG A 31 -1.290 5.279 -13.755 1.00 0.56 H new ATOM 0 HA ARG A 31 -1.349 6.381 -11.032 1.00 0.54 H new ATOM 0 HB2 ARG A 31 -2.420 7.595 -12.907 1.00 0.55 H new ATOM 0 HB3 ARG A 31 -3.477 6.224 -13.182 1.00 0.55 H new ATOM 0 HG2 ARG A 31 -4.682 6.564 -11.198 1.00 0.59 H new ATOM 0 HG3 ARG A 31 -3.359 7.398 -10.406 1.00 0.59 H new ATOM 0 HD2 ARG A 31 -5.364 8.831 -11.008 1.00 0.69 H new ATOM 0 HD3 ARG A 31 -3.808 9.442 -11.533 1.00 0.69 H new ATOM 0 HE ARG A 31 -5.825 8.132 -13.326 1.00 1.84 H new ATOM 0 HH11 ARG A 31 -3.025 10.333 -12.993 1.00 2.01 H new ATOM 0 HH12 ARG A 31 -3.197 10.892 -14.661 1.00 2.01 H new ATOM 0 HH21 ARG A 31 -5.962 8.922 -15.383 1.00 3.63 H new ATOM 0 HH22 ARG A 31 -4.802 10.120 -15.967 1.00 3.63 H new ATOM 462 N LEU A 32 -2.170 4.422 -9.865 1.00 0.49 N ATOM 463 CA LEU A 32 -2.458 3.266 -9.016 1.00 0.46 C ATOM 464 C LEU A 32 -3.647 3.612 -8.103 1.00 0.41 C ATOM 465 O LEU A 32 -3.536 4.450 -7.210 1.00 0.55 O ATOM 466 CB LEU A 32 -1.144 2.933 -8.274 1.00 0.65 C ATOM 467 CG LEU A 32 -1.229 1.949 -7.088 1.00 0.54 C ATOM 468 CD1 LEU A 32 -1.816 0.601 -7.516 1.00 0.73 C ATOM 469 CD2 LEU A 32 0.176 1.742 -6.501 1.00 1.17 C ATOM 0 H LEU A 32 -1.685 5.152 -9.343 1.00 0.49 H new ATOM 0 HA LEU A 32 -2.764 2.375 -9.565 1.00 0.46 H new ATOM 0 HB2 LEU A 32 -0.441 2.525 -9.000 1.00 0.65 H new ATOM 0 HB3 LEU A 32 -0.718 3.867 -7.907 1.00 0.65 H new ATOM 0 HG LEU A 32 -1.892 2.376 -6.335 1.00 0.54 H new ATOM 0 HD11 LEU A 32 -1.861 -0.066 -6.655 1.00 0.73 H new ATOM 0 HD12 LEU A 32 -2.821 0.751 -7.912 1.00 0.73 H new ATOM 0 HD13 LEU A 32 -1.185 0.158 -8.286 1.00 0.73 H new ATOM 0 HD21 LEU A 32 0.121 1.048 -5.663 1.00 1.17 H new ATOM 0 HD22 LEU A 32 0.834 1.334 -7.268 1.00 1.17 H new ATOM 0 HD23 LEU A 32 0.570 2.698 -6.155 1.00 1.17 H new ATOM 481 N VAL A 33 -4.791 2.983 -8.368 1.00 0.37 N ATOM 482 CA VAL A 33 -6.100 3.337 -7.781 1.00 0.41 C ATOM 483 C VAL A 33 -6.507 2.432 -6.609 1.00 0.49 C ATOM 484 O VAL A 33 -7.392 2.794 -5.838 1.00 0.68 O ATOM 485 CB VAL A 33 -7.232 3.358 -8.842 1.00 0.45 C ATOM 486 CG1 VAL A 33 -6.908 4.344 -9.976 1.00 0.45 C ATOM 487 CG2 VAL A 33 -7.535 1.986 -9.466 1.00 0.58 C ATOM 0 H VAL A 33 -4.844 2.193 -9.011 1.00 0.37 H new ATOM 0 HA VAL A 33 -5.966 4.345 -7.388 1.00 0.41 H new ATOM 0 HB VAL A 33 -8.119 3.674 -8.293 1.00 0.45 H new ATOM 0 HG11 VAL A 33 -7.718 4.338 -10.705 1.00 0.45 H new ATOM 0 HG12 VAL A 33 -6.797 5.347 -9.565 1.00 0.45 H new ATOM 0 HG13 VAL A 33 -5.979 4.046 -10.463 1.00 0.45 H new ATOM 0 HG21 VAL A 33 -8.337 2.088 -10.197 1.00 0.58 H new ATOM 0 HG22 VAL A 33 -6.641 1.605 -9.960 1.00 0.58 H new ATOM 0 HG23 VAL A 33 -7.842 1.291 -8.685 1.00 0.58 H new ATOM 497 N GLY A 34 -5.877 1.260 -6.454 1.00 0.43 N ATOM 498 CA GLY A 34 -6.184 0.302 -5.393 1.00 0.49 C ATOM 499 C GLY A 34 -5.332 -0.957 -5.497 1.00 0.46 C ATOM 500 O GLY A 34 -4.367 -1.011 -6.261 1.00 0.44 O ATOM 0 H GLY A 34 -5.129 0.950 -7.074 1.00 0.43 H new ATOM 0 HA2 GLY A 34 -6.021 0.771 -4.423 1.00 0.49 H new ATOM 0 HA3 GLY A 34 -7.239 0.031 -5.443 1.00 0.49 H new ATOM 504 N ALA A 35 -5.692 -1.985 -4.737 1.00 0.55 N ATOM 505 CA ALA A 35 -5.041 -3.295 -4.777 1.00 0.56 C ATOM 506 C ALA A 35 -6.062 -4.420 -4.567 1.00 0.59 C ATOM 507 O ALA A 35 -7.233 -4.117 -4.338 1.00 0.73 O ATOM 508 CB ALA A 35 -3.951 -3.305 -3.699 1.00 0.78 C ATOM 0 H ALA A 35 -6.457 -1.934 -4.064 1.00 0.55 H new ATOM 0 HA ALA A 35 -4.591 -3.470 -5.754 1.00 0.56 H new ATOM 0 HB1 ALA A 35 -3.445 -4.270 -3.702 1.00 0.78 H new ATOM 0 HB2 ALA A 35 -3.228 -2.516 -3.905 1.00 0.78 H new ATOM 0 HB3 ALA A 35 -4.404 -3.136 -2.722 1.00 0.78 H new ATOM 514 N ARG A 36 -5.657 -5.701 -4.625 1.00 0.58 N ATOM 515 CA ARG A 36 -6.569 -6.827 -4.488 1.00 0.64 C ATOM 516 C ARG A 36 -5.751 -8.078 -4.191 1.00 0.68 C ATOM 517 O ARG A 36 -4.810 -8.350 -4.919 1.00 0.90 O ATOM 518 CB ARG A 36 -7.367 -6.920 -5.796 1.00 0.90 C ATOM 519 CG ARG A 36 -8.161 -8.216 -5.860 1.00 1.35 C ATOM 520 CD ARG A 36 -9.263 -8.123 -6.926 1.00 2.18 C ATOM 521 NE ARG A 36 -10.253 -9.212 -6.825 1.00 3.17 N ATOM 522 CZ ARG A 36 -11.237 -9.310 -5.927 1.00 4.19 C ATOM 523 NH1 ARG A 36 -11.344 -8.480 -4.906 1.00 4.84 N ATOM 524 NH2 ARG A 36 -12.142 -10.263 -6.044 1.00 5.44 N ATOM 0 H ARG A 36 -4.685 -5.974 -4.769 1.00 0.58 H new ATOM 0 HA ARG A 36 -7.274 -6.709 -3.665 1.00 0.64 H new ATOM 0 HB2 ARG A 36 -8.045 -6.070 -5.874 1.00 0.90 H new ATOM 0 HB3 ARG A 36 -6.687 -6.864 -6.646 1.00 0.90 H new ATOM 0 HG2 ARG A 36 -7.494 -9.047 -6.091 1.00 1.35 H new ATOM 0 HG3 ARG A 36 -8.606 -8.425 -4.887 1.00 1.35 H new ATOM 0 HD2 ARG A 36 -9.774 -7.165 -6.831 1.00 2.18 H new ATOM 0 HD3 ARG A 36 -8.807 -8.144 -7.916 1.00 2.18 H new ATOM 0 HE ARG A 36 -10.179 -9.965 -7.509 1.00 3.17 H new ATOM 0 HH11 ARG A 36 -10.661 -7.732 -4.783 1.00 4.84 H new ATOM 0 HH12 ARG A 36 -12.110 -8.586 -4.240 1.00 4.84 H new ATOM 0 HH21 ARG A 36 -12.090 -10.924 -6.819 1.00 5.44 H new ATOM 0 HH22 ARG A 36 -12.894 -10.339 -5.359 1.00 5.44 H new ATOM 538 N THR A 37 -6.073 -8.844 -3.148 1.00 0.59 N ATOM 539 CA THR A 37 -5.312 -10.039 -2.740 1.00 0.70 C ATOM 540 C THR A 37 -6.294 -11.170 -2.408 1.00 0.80 C ATOM 541 O THR A 37 -7.405 -10.852 -1.984 1.00 0.74 O ATOM 542 CB THR A 37 -4.405 -9.711 -1.543 1.00 0.71 C ATOM 543 OG1 THR A 37 -3.856 -10.908 -1.061 1.00 0.94 O ATOM 544 CG2 THR A 37 -5.110 -9.025 -0.376 1.00 0.64 C ATOM 0 H THR A 37 -6.879 -8.655 -2.552 1.00 0.59 H new ATOM 0 HA THR A 37 -4.668 -10.365 -3.557 1.00 0.70 H new ATOM 0 HB THR A 37 -3.657 -9.012 -1.916 1.00 0.71 H new ATOM 0 HG1 THR A 37 -3.005 -11.083 -1.514 1.00 0.94 H new ATOM 0 HG21 THR A 37 -4.392 -8.833 0.421 1.00 0.64 H new ATOM 0 HG22 THR A 37 -5.538 -8.081 -0.714 1.00 0.64 H new ATOM 0 HG23 THR A 37 -5.904 -9.670 -0.001 1.00 0.64 H new ATOM 552 N PRO A 38 -5.929 -12.463 -2.529 1.00 1.00 N ATOM 553 CA PRO A 38 -6.719 -13.548 -1.960 1.00 1.06 C ATOM 554 C PRO A 38 -6.862 -13.462 -0.440 1.00 1.07 C ATOM 555 O PRO A 38 -7.862 -13.942 0.076 1.00 1.24 O ATOM 556 CB PRO A 38 -5.990 -14.835 -2.353 1.00 1.13 C ATOM 557 CG PRO A 38 -4.550 -14.401 -2.602 1.00 1.18 C ATOM 558 CD PRO A 38 -4.750 -13.008 -3.189 1.00 1.18 C ATOM 0 HA PRO A 38 -7.739 -13.503 -2.343 1.00 1.06 H new ATOM 0 HB2 PRO A 38 -6.048 -15.581 -1.560 1.00 1.13 H new ATOM 0 HB3 PRO A 38 -6.429 -15.283 -3.245 1.00 1.13 H new ATOM 0 HG2 PRO A 38 -3.964 -14.379 -1.683 1.00 1.18 H new ATOM 0 HG3 PRO A 38 -4.034 -15.067 -3.293 1.00 1.18 H new ATOM 0 HD2 PRO A 38 -3.877 -12.380 -3.011 1.00 1.18 H new ATOM 0 HD3 PRO A 38 -4.893 -13.056 -4.268 1.00 1.18 H new ATOM 566 N VAL A 39 -5.897 -12.876 0.278 1.00 1.00 N ATOM 567 CA VAL A 39 -5.856 -12.975 1.758 1.00 1.08 C ATOM 568 C VAL A 39 -6.739 -11.955 2.505 1.00 0.99 C ATOM 569 O VAL A 39 -6.848 -12.036 3.730 1.00 1.18 O ATOM 570 CB VAL A 39 -4.413 -12.985 2.322 1.00 1.20 C ATOM 571 CG1 VAL A 39 -3.519 -13.915 1.482 1.00 1.34 C ATOM 572 CG2 VAL A 39 -3.769 -11.594 2.442 1.00 1.08 C ATOM 0 H VAL A 39 -5.137 -12.331 -0.129 1.00 1.00 H new ATOM 0 HA VAL A 39 -6.303 -13.949 1.959 1.00 1.08 H new ATOM 0 HB VAL A 39 -4.497 -13.361 3.342 1.00 1.20 H new ATOM 0 HG11 VAL A 39 -2.508 -13.913 1.889 1.00 1.34 H new ATOM 0 HG12 VAL A 39 -3.920 -14.928 1.511 1.00 1.34 H new ATOM 0 HG13 VAL A 39 -3.496 -13.563 0.451 1.00 1.34 H new ATOM 0 HG21 VAL A 39 -2.761 -11.693 2.845 1.00 1.08 H new ATOM 0 HG22 VAL A 39 -3.722 -11.129 1.457 1.00 1.08 H new ATOM 0 HG23 VAL A 39 -4.367 -10.973 3.109 1.00 1.08 H new ATOM 582 N ALA A 40 -7.379 -11.011 1.796 1.00 0.79 N ATOM 583 CA ALA A 40 -8.172 -9.913 2.365 1.00 0.70 C ATOM 584 C ALA A 40 -9.427 -9.583 1.535 1.00 0.72 C ATOM 585 O ALA A 40 -9.595 -10.096 0.430 1.00 0.91 O ATOM 586 CB ALA A 40 -7.273 -8.677 2.547 1.00 0.77 C ATOM 0 H ALA A 40 -7.357 -10.992 0.776 1.00 0.79 H new ATOM 0 HA ALA A 40 -8.544 -10.238 3.337 1.00 0.70 H new ATOM 0 HB1 ALA A 40 -7.858 -7.860 2.969 1.00 0.77 H new ATOM 0 HB2 ALA A 40 -6.452 -8.921 3.221 1.00 0.77 H new ATOM 0 HB3 ALA A 40 -6.871 -8.374 1.580 1.00 0.77 H new ATOM 592 N GLU A 41 -10.293 -8.734 2.099 1.00 0.78 N ATOM 593 CA GLU A 41 -11.581 -8.325 1.535 1.00 0.91 C ATOM 594 C GLU A 41 -11.587 -6.824 1.162 1.00 0.93 C ATOM 595 O GLU A 41 -11.359 -6.469 0.002 1.00 1.23 O ATOM 596 CB GLU A 41 -12.686 -8.704 2.547 1.00 0.92 C ATOM 597 CG GLU A 41 -14.032 -8.982 1.873 1.00 1.13 C ATOM 598 CD GLU A 41 -13.976 -10.343 1.189 1.00 1.82 C ATOM 599 OE1 GLU A 41 -14.030 -11.361 1.916 1.00 2.66 O ATOM 600 OE2 GLU A 41 -13.722 -10.416 -0.037 1.00 2.86 O ATOM 0 H GLU A 41 -10.106 -8.295 3.000 1.00 0.78 H new ATOM 0 HA GLU A 41 -11.770 -8.848 0.598 1.00 0.91 H new ATOM 0 HB2 GLU A 41 -12.375 -9.587 3.106 1.00 0.92 H new ATOM 0 HB3 GLU A 41 -12.805 -7.896 3.269 1.00 0.92 H new ATOM 0 HG2 GLU A 41 -14.833 -8.965 2.612 1.00 1.13 H new ATOM 0 HG3 GLU A 41 -14.255 -8.203 1.143 1.00 1.13 H new ATOM 607 N ARG A 42 -11.807 -5.920 2.131 1.00 0.83 N ATOM 608 CA ARG A 42 -11.762 -4.474 1.912 1.00 0.98 C ATOM 609 C ARG A 42 -10.305 -4.010 1.931 1.00 0.86 C ATOM 610 O ARG A 42 -9.640 -4.002 2.961 1.00 1.16 O ATOM 611 CB ARG A 42 -12.644 -3.734 2.929 1.00 1.15 C ATOM 612 CG ARG A 42 -12.515 -2.201 2.853 1.00 1.60 C ATOM 613 CD ARG A 42 -13.519 -1.515 3.792 1.00 1.64 C ATOM 614 NE ARG A 42 -14.884 -1.508 3.228 1.00 1.88 N ATOM 615 CZ ARG A 42 -15.407 -0.557 2.453 1.00 2.70 C ATOM 616 NH1 ARG A 42 -14.747 0.525 2.104 1.00 3.40 N ATOM 617 NH2 ARG A 42 -16.635 -0.683 2.001 1.00 3.69 N ATOM 0 H ARG A 42 -12.022 -6.179 3.094 1.00 0.83 H new ATOM 0 HA ARG A 42 -12.175 -4.233 0.933 1.00 0.98 H new ATOM 0 HB2 ARG A 42 -13.685 -4.012 2.765 1.00 1.15 H new ATOM 0 HB3 ARG A 42 -12.381 -4.064 3.934 1.00 1.15 H new ATOM 0 HG2 ARG A 42 -11.501 -1.904 3.121 1.00 1.60 H new ATOM 0 HG3 ARG A 42 -12.685 -1.869 1.829 1.00 1.60 H new ATOM 0 HD2 ARG A 42 -13.526 -2.028 4.754 1.00 1.64 H new ATOM 0 HD3 ARG A 42 -13.199 -0.490 3.980 1.00 1.64 H new ATOM 0 HE ARG A 42 -15.482 -2.304 3.452 1.00 1.88 H new ATOM 0 HH11 ARG A 42 -13.790 0.666 2.428 1.00 3.40 H new ATOM 0 HH12 ARG A 42 -15.192 1.224 1.509 1.00 3.40 H new ATOM 0 HH21 ARG A 42 -17.186 -1.507 2.243 1.00 3.69 H new ATOM 0 HH22 ARG A 42 -17.037 0.043 1.408 1.00 3.69 H new ATOM 631 N VAL A 43 -9.844 -3.604 0.757 1.00 0.64 N ATOM 632 CA VAL A 43 -8.500 -3.087 0.480 1.00 0.57 C ATOM 633 C VAL A 43 -8.600 -1.695 -0.156 1.00 0.73 C ATOM 634 O VAL A 43 -9.398 -1.482 -1.067 1.00 0.94 O ATOM 635 CB VAL A 43 -7.688 -4.082 -0.377 1.00 0.86 C ATOM 636 CG1 VAL A 43 -8.463 -4.572 -1.603 1.00 1.25 C ATOM 637 CG2 VAL A 43 -6.324 -3.517 -0.808 1.00 1.00 C ATOM 0 H VAL A 43 -10.427 -3.625 -0.080 1.00 0.64 H new ATOM 0 HA VAL A 43 -7.953 -2.980 1.417 1.00 0.57 H new ATOM 0 HB VAL A 43 -7.508 -4.938 0.274 1.00 0.86 H new ATOM 0 HG11 VAL A 43 -7.845 -5.269 -2.169 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -9.374 -5.075 -1.280 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -8.722 -3.721 -2.234 1.00 1.25 H new ATOM 0 HG21 VAL A 43 -5.796 -4.258 -1.408 1.00 1.00 H new ATOM 0 HG22 VAL A 43 -6.475 -2.613 -1.398 1.00 1.00 H new ATOM 0 HG23 VAL A 43 -5.733 -3.278 0.076 1.00 1.00 H new ATOM 647 N GLU A 44 -7.823 -0.747 0.366 1.00 0.79 N ATOM 648 CA GLU A 44 -7.953 0.690 0.075 1.00 0.85 C ATOM 649 C GLU A 44 -6.586 1.371 0.116 1.00 0.81 C ATOM 650 O GLU A 44 -5.867 1.186 1.097 1.00 0.79 O ATOM 651 CB GLU A 44 -8.797 1.369 1.167 1.00 0.88 C ATOM 652 CG GLU A 44 -10.218 0.820 1.330 1.00 0.94 C ATOM 653 CD GLU A 44 -10.977 1.485 2.476 1.00 1.15 C ATOM 654 OE1 GLU A 44 -10.407 2.329 3.203 1.00 2.08 O ATOM 655 OE2 GLU A 44 -12.165 1.122 2.625 1.00 1.87 O ATOM 0 H GLU A 44 -7.067 -0.956 1.018 1.00 0.79 H new ATOM 0 HA GLU A 44 -8.411 0.784 -0.910 1.00 0.85 H new ATOM 0 HB2 GLU A 44 -8.276 1.272 2.119 1.00 0.88 H new ATOM 0 HB3 GLU A 44 -8.860 2.434 0.945 1.00 0.88 H new ATOM 0 HG2 GLU A 44 -10.769 0.967 0.401 1.00 0.94 H new ATOM 0 HG3 GLU A 44 -10.170 -0.255 1.506 1.00 0.94 H new ATOM 662 N LEU A 45 -6.210 2.190 -0.880 1.00 0.80 N ATOM 663 CA LEU A 45 -5.003 3.000 -0.762 1.00 0.75 C ATOM 664 C LEU A 45 -5.267 4.242 0.094 1.00 0.67 C ATOM 665 O LEU A 45 -6.103 5.089 -0.230 1.00 0.67 O ATOM 666 CB LEU A 45 -4.442 3.319 -2.156 1.00 0.79 C ATOM 667 CG LEU A 45 -2.938 3.647 -2.077 1.00 0.76 C ATOM 668 CD1 LEU A 45 -2.257 3.284 -3.391 1.00 0.79 C ATOM 669 CD2 LEU A 45 -2.670 5.129 -1.826 1.00 0.82 C ATOM 0 H LEU A 45 -6.718 2.303 -1.757 1.00 0.80 H new ATOM 0 HA LEU A 45 -4.230 2.436 -0.239 1.00 0.75 H new ATOM 0 HB2 LEU A 45 -4.599 2.469 -2.820 1.00 0.79 H new ATOM 0 HB3 LEU A 45 -4.981 4.163 -2.586 1.00 0.79 H new ATOM 0 HG LEU A 45 -2.544 3.068 -1.242 1.00 0.76 H new ATOM 0 HD11 LEU A 45 -1.195 3.519 -3.327 1.00 0.79 H new ATOM 0 HD12 LEU A 45 -2.382 2.218 -3.584 1.00 0.79 H new ATOM 0 HD13 LEU A 45 -2.706 3.855 -4.204 1.00 0.79 H new ATOM 0 HD21 LEU A 45 -1.595 5.302 -1.780 1.00 0.82 H new ATOM 0 HD22 LEU A 45 -3.098 5.719 -2.637 1.00 0.82 H new ATOM 0 HD23 LEU A 45 -3.126 5.426 -0.882 1.00 0.82 H new ATOM 681 N HIS A 46 -4.522 4.334 1.186 1.00 0.63 N ATOM 682 CA HIS A 46 -4.492 5.452 2.118 1.00 0.58 C ATOM 683 C HIS A 46 -3.167 6.229 2.025 1.00 0.53 C ATOM 684 O HIS A 46 -2.122 5.697 1.631 1.00 0.54 O ATOM 685 CB HIS A 46 -4.698 4.947 3.563 1.00 0.61 C ATOM 686 CG HIS A 46 -6.094 4.572 4.012 1.00 0.64 C ATOM 687 ND1 HIS A 46 -6.602 4.837 5.288 1.00 0.73 N ATOM 688 CD2 HIS A 46 -7.060 3.919 3.298 1.00 0.66 C ATOM 689 CE1 HIS A 46 -7.825 4.282 5.322 1.00 0.74 C ATOM 690 NE2 HIS A 46 -8.124 3.712 4.142 1.00 0.69 N ATOM 0 H HIS A 46 -3.885 3.586 1.461 1.00 0.63 H new ATOM 0 HA HIS A 46 -5.303 6.129 1.849 1.00 0.58 H new ATOM 0 HB2 HIS A 46 -4.061 4.073 3.701 1.00 0.61 H new ATOM 0 HB3 HIS A 46 -4.330 5.720 4.238 1.00 0.61 H new ATOM 0 HD2 HIS A 46 -6.998 3.621 2.262 1.00 0.66 H new ATOM 0 HE1 HIS A 46 -8.479 4.292 6.181 1.00 0.74 H new ATOM 0 HE2 HIS A 46 -8.985 3.215 3.914 1.00 0.69 H new ATOM 698 N GLU A 47 -3.210 7.480 2.464 1.00 0.51 N ATOM 699 CA GLU A 47 -2.026 8.277 2.762 1.00 0.54 C ATOM 700 C GLU A 47 -1.873 8.516 4.269 1.00 0.47 C ATOM 701 O GLU A 47 -2.624 7.977 5.090 1.00 0.54 O ATOM 702 CB GLU A 47 -2.025 9.568 1.942 1.00 0.85 C ATOM 703 CG GLU A 47 -3.113 10.566 2.324 1.00 1.03 C ATOM 704 CD GLU A 47 -2.816 11.929 1.707 1.00 1.63 C ATOM 705 OE1 GLU A 47 -2.273 11.977 0.580 1.00 3.12 O ATOM 706 OE2 GLU A 47 -3.128 12.911 2.411 1.00 1.77 O ATOM 0 H GLU A 47 -4.085 7.979 2.626 1.00 0.51 H new ATOM 0 HA GLU A 47 -1.142 7.714 2.461 1.00 0.54 H new ATOM 0 HB2 GLU A 47 -1.054 10.051 2.051 1.00 0.85 H new ATOM 0 HB3 GLU A 47 -2.138 9.313 0.888 1.00 0.85 H new ATOM 0 HG2 GLU A 47 -4.083 10.207 1.981 1.00 1.03 H new ATOM 0 HG3 GLU A 47 -3.171 10.654 3.409 1.00 1.03 H new ATOM 713 N THR A 48 -0.862 9.295 4.658 1.00 0.57 N ATOM 714 CA THR A 48 -0.555 9.638 6.047 1.00 0.68 C ATOM 715 C THR A 48 0.010 11.047 6.058 1.00 0.84 C ATOM 716 O THR A 48 1.173 11.267 5.723 1.00 1.03 O ATOM 717 CB THR A 48 0.413 8.635 6.672 1.00 0.87 C ATOM 718 OG1 THR A 48 -0.062 7.334 6.409 1.00 0.97 O ATOM 719 CG2 THR A 48 0.528 8.849 8.182 1.00 1.09 C ATOM 0 H THR A 48 -0.214 9.718 3.993 1.00 0.57 H new ATOM 0 HA THR A 48 -1.460 9.596 6.653 1.00 0.68 H new ATOM 0 HB THR A 48 1.403 8.775 6.239 1.00 0.87 H new ATOM 0 HG1 THR A 48 0.623 6.679 6.659 1.00 0.97 H new ATOM 0 HG21 THR A 48 1.223 8.121 8.601 1.00 1.09 H new ATOM 0 HG22 THR A 48 0.894 9.856 8.380 1.00 1.09 H new ATOM 0 HG23 THR A 48 -0.451 8.722 8.643 1.00 1.09 H new ATOM 727 N PHE A 49 -0.855 12.001 6.397 1.00 0.99 N ATOM 728 CA PHE A 49 -0.653 13.432 6.211 1.00 1.08 C ATOM 729 C PHE A 49 -0.357 14.163 7.528 1.00 1.06 C ATOM 730 O PHE A 49 -0.324 13.582 8.616 1.00 1.12 O ATOM 731 CB PHE A 49 -1.899 13.999 5.502 1.00 1.12 C ATOM 732 CG PHE A 49 -3.202 13.918 6.287 1.00 1.05 C ATOM 733 CD1 PHE A 49 -3.568 14.945 7.181 1.00 1.86 C ATOM 734 CD2 PHE A 49 -4.065 12.819 6.111 1.00 2.04 C ATOM 735 CE1 PHE A 49 -4.771 14.870 7.899 1.00 1.86 C ATOM 736 CE2 PHE A 49 -5.271 12.742 6.826 1.00 2.05 C ATOM 737 CZ PHE A 49 -5.623 13.769 7.715 1.00 1.07 C ATOM 0 H PHE A 49 -1.754 11.786 6.827 1.00 0.99 H new ATOM 0 HA PHE A 49 0.231 13.594 5.595 1.00 1.08 H new ATOM 0 HB2 PHE A 49 -1.710 15.044 5.255 1.00 1.12 H new ATOM 0 HB3 PHE A 49 -2.031 13.468 4.559 1.00 1.12 H new ATOM 0 HD1 PHE A 49 -2.917 15.796 7.314 1.00 1.86 H new ATOM 0 HD2 PHE A 49 -3.798 12.031 5.422 1.00 2.04 H new ATOM 0 HE1 PHE A 49 -5.040 15.655 8.590 1.00 1.86 H new ATOM 0 HE2 PHE A 49 -5.926 11.894 6.692 1.00 2.05 H new ATOM 0 HZ PHE A 49 -6.554 13.712 8.260 1.00 1.07 H new ATOM 747 N MET A 50 -0.204 15.485 7.427 1.00 1.18 N ATOM 748 CA MET A 50 -0.137 16.410 8.559 1.00 1.23 C ATOM 749 C MET A 50 -0.936 17.683 8.265 1.00 1.16 C ATOM 750 O MET A 50 -0.959 18.141 7.123 1.00 1.51 O ATOM 751 CB MET A 50 1.330 16.718 8.902 1.00 1.49 C ATOM 752 CG MET A 50 2.049 17.505 7.797 1.00 2.17 C ATOM 753 SD MET A 50 3.842 17.621 7.992 1.00 2.61 S ATOM 754 CE MET A 50 4.178 18.738 6.610 1.00 3.08 C ATOM 0 H MET A 50 -0.121 15.956 6.526 1.00 1.18 H new ATOM 0 HA MET A 50 -0.591 15.941 9.432 1.00 1.23 H new ATOM 0 HB2 MET A 50 1.369 17.287 9.831 1.00 1.49 H new ATOM 0 HB3 MET A 50 1.861 15.783 9.079 1.00 1.49 H new ATOM 0 HG2 MET A 50 1.832 17.037 6.837 1.00 2.17 H new ATOM 0 HG3 MET A 50 1.636 18.513 7.761 1.00 2.17 H new ATOM 0 HE1 MET A 50 5.248 18.939 6.556 1.00 3.08 H new ATOM 0 HE2 MET A 50 3.848 18.275 5.680 1.00 3.08 H new ATOM 0 HE3 MET A 50 3.640 19.674 6.760 1.00 3.08 H new ATOM 764 N ARG A 51 -1.598 18.235 9.285 1.00 1.11 N ATOM 765 CA ARG A 51 -2.346 19.484 9.224 1.00 1.14 C ATOM 766 C ARG A 51 -2.464 20.139 10.605 1.00 1.18 C ATOM 767 O ARG A 51 -2.302 19.482 11.638 1.00 1.30 O ATOM 768 CB ARG A 51 -3.713 19.179 8.608 1.00 1.39 C ATOM 769 CG ARG A 51 -4.449 20.447 8.169 1.00 2.73 C ATOM 770 CD ARG A 51 -5.526 20.042 7.166 1.00 3.15 C ATOM 771 NE ARG A 51 -6.285 21.212 6.676 1.00 4.40 N ATOM 772 CZ ARG A 51 -5.857 22.133 5.813 1.00 5.70 C ATOM 773 NH1 ARG A 51 -4.646 22.107 5.293 1.00 6.45 N ATOM 774 NH2 ARG A 51 -6.657 23.117 5.461 1.00 6.80 N ATOM 0 H ARG A 51 -1.626 17.804 10.209 1.00 1.11 H new ATOM 0 HA ARG A 51 -1.820 20.208 8.602 1.00 1.14 H new ATOM 0 HB2 ARG A 51 -3.583 18.521 7.749 1.00 1.39 H new ATOM 0 HB3 ARG A 51 -4.323 18.640 9.333 1.00 1.39 H new ATOM 0 HG2 ARG A 51 -4.897 20.945 9.029 1.00 2.73 H new ATOM 0 HG3 ARG A 51 -3.754 21.154 7.717 1.00 2.73 H new ATOM 0 HD2 ARG A 51 -5.063 19.529 6.323 1.00 3.15 H new ATOM 0 HD3 ARG A 51 -6.210 19.334 7.633 1.00 3.15 H new ATOM 0 HE ARG A 51 -7.233 21.326 7.035 1.00 4.40 H new ATOM 0 HH11 ARG A 51 -3.997 21.362 5.548 1.00 6.45 H new ATOM 0 HH12 ARG A 51 -4.358 22.832 4.636 1.00 6.45 H new ATOM 0 HH21 ARG A 51 -7.599 23.172 5.848 1.00 6.80 H new ATOM 0 HH22 ARG A 51 -6.335 23.825 4.801 1.00 6.80 H new ATOM 788 N GLU A 52 -2.738 21.436 10.621 1.00 1.20 N ATOM 789 CA GLU A 52 -2.702 22.276 11.810 1.00 1.19 C ATOM 790 C GLU A 52 -4.086 22.472 12.421 1.00 1.38 C ATOM 791 O GLU A 52 -5.105 22.418 11.734 1.00 1.62 O ATOM 792 CB GLU A 52 -2.029 23.611 11.485 1.00 1.34 C ATOM 793 CG GLU A 52 -0.528 23.413 11.238 1.00 1.92 C ATOM 794 CD GLU A 52 -0.228 22.519 10.024 1.00 2.78 C ATOM 795 OE1 GLU A 52 -0.857 22.730 8.962 1.00 3.59 O ATOM 796 OE2 GLU A 52 0.437 21.477 10.230 1.00 3.73 O ATOM 0 H GLU A 52 -3.000 21.949 9.779 1.00 1.20 H new ATOM 0 HA GLU A 52 -2.109 21.764 12.568 1.00 1.19 H new ATOM 0 HB2 GLU A 52 -2.493 24.053 10.603 1.00 1.34 H new ATOM 0 HB3 GLU A 52 -2.179 24.310 12.308 1.00 1.34 H new ATOM 0 HG2 GLU A 52 -0.059 24.386 11.090 1.00 1.92 H new ATOM 0 HG3 GLU A 52 -0.075 22.973 12.126 1.00 1.92 H new ATOM 803 N VAL A 53 -4.075 22.687 13.734 1.00 1.44 N ATOM 804 CA VAL A 53 -5.271 22.784 14.594 1.00 1.70 C ATOM 805 C VAL A 53 -5.243 24.108 15.365 1.00 1.99 C ATOM 806 O VAL A 53 -5.651 25.147 14.854 1.00 3.05 O ATOM 807 CB VAL A 53 -5.433 21.525 15.492 1.00 1.98 C ATOM 808 CG1 VAL A 53 -6.757 21.556 16.278 1.00 2.40 C ATOM 809 CG2 VAL A 53 -5.386 20.217 14.677 1.00 2.29 C ATOM 0 H VAL A 53 -3.206 22.804 14.256 1.00 1.44 H new ATOM 0 HA VAL A 53 -6.169 22.798 13.976 1.00 1.70 H new ATOM 0 HB VAL A 53 -4.591 21.546 16.184 1.00 1.98 H new ATOM 0 HG11 VAL A 53 -6.835 20.660 16.894 1.00 2.40 H new ATOM 0 HG12 VAL A 53 -6.780 22.439 16.917 1.00 2.40 H new ATOM 0 HG13 VAL A 53 -7.594 21.591 15.580 1.00 2.40 H new ATOM 0 HG21 VAL A 53 -5.503 19.366 15.348 1.00 2.29 H new ATOM 0 HG22 VAL A 53 -6.193 20.216 13.944 1.00 2.29 H new ATOM 0 HG23 VAL A 53 -4.428 20.144 14.162 1.00 2.29 H new ATOM 819 N GLU A 54 -4.683 24.081 16.569 1.00 1.86 N ATOM 820 CA GLU A 54 -4.375 25.230 17.437 1.00 2.04 C ATOM 821 C GLU A 54 -3.133 26.000 16.915 1.00 1.93 C ATOM 822 O GLU A 54 -2.223 26.324 17.674 1.00 2.22 O ATOM 823 CB GLU A 54 -4.163 24.662 18.855 1.00 2.40 C ATOM 824 CG GLU A 54 -4.237 25.674 20.010 1.00 3.32 C ATOM 825 CD GLU A 54 -3.560 25.118 21.266 1.00 3.56 C ATOM 826 OE1 GLU A 54 -3.477 23.877 21.424 1.00 3.29 O ATOM 827 OE2 GLU A 54 -2.957 25.902 22.031 1.00 4.69 O ATOM 0 H GLU A 54 -4.410 23.198 17.002 1.00 1.86 H new ATOM 0 HA GLU A 54 -5.187 25.957 17.444 1.00 2.04 H new ATOM 0 HB2 GLU A 54 -4.911 23.888 19.029 1.00 2.40 H new ATOM 0 HB3 GLU A 54 -3.188 24.176 18.887 1.00 2.40 H new ATOM 0 HG2 GLU A 54 -3.755 26.606 19.714 1.00 3.32 H new ATOM 0 HG3 GLU A 54 -5.279 25.909 20.227 1.00 3.32 H new ATOM 834 N GLY A 55 -2.980 26.107 15.586 1.00 1.70 N ATOM 835 CA GLY A 55 -1.701 26.370 14.900 1.00 1.75 C ATOM 836 C GLY A 55 -0.717 25.190 14.969 1.00 1.68 C ATOM 837 O GLY A 55 0.212 25.088 14.174 1.00 2.06 O ATOM 0 H GLY A 55 -3.763 26.011 14.939 1.00 1.70 H new ATOM 0 HA2 GLY A 55 -1.900 26.607 13.855 1.00 1.75 H new ATOM 0 HA3 GLY A 55 -1.234 27.250 15.343 1.00 1.75 H new ATOM 841 N LYS A 56 -0.934 24.262 15.902 1.00 1.46 N ATOM 842 CA LYS A 56 -0.096 23.105 16.176 1.00 1.47 C ATOM 843 C LYS A 56 -0.386 22.005 15.150 1.00 1.26 C ATOM 844 O LYS A 56 -1.547 21.726 14.845 1.00 1.11 O ATOM 845 CB LYS A 56 -0.374 22.628 17.612 1.00 1.61 C ATOM 846 CG LYS A 56 0.051 23.658 18.673 1.00 2.42 C ATOM 847 CD LYS A 56 -0.376 23.228 20.083 1.00 2.56 C ATOM 848 CE LYS A 56 -0.237 24.414 21.045 1.00 3.43 C ATOM 849 NZ LYS A 56 -0.938 24.161 22.324 1.00 3.72 N ATOM 0 H LYS A 56 -1.746 24.304 16.518 1.00 1.46 H new ATOM 0 HA LYS A 56 0.959 23.365 16.092 1.00 1.47 H new ATOM 0 HB2 LYS A 56 -1.438 22.418 17.721 1.00 1.61 H new ATOM 0 HB3 LYS A 56 0.155 21.692 17.788 1.00 1.61 H new ATOM 0 HG2 LYS A 56 1.133 23.786 18.643 1.00 2.42 H new ATOM 0 HG3 LYS A 56 -0.391 24.626 18.438 1.00 2.42 H new ATOM 0 HD2 LYS A 56 -1.407 22.876 20.070 1.00 2.56 H new ATOM 0 HD3 LYS A 56 0.241 22.396 20.423 1.00 2.56 H new ATOM 0 HE2 LYS A 56 0.819 24.604 21.239 1.00 3.43 H new ATOM 0 HE3 LYS A 56 -0.642 25.312 20.578 1.00 3.43 H new ATOM 0 HZ1 LYS A 56 -1.483 25.004 22.594 1.00 3.72 H new ATOM 0 HZ2 LYS A 56 -1.583 23.353 22.212 1.00 3.72 H new ATOM 0 HZ3 LYS A 56 -0.241 23.948 23.066 1.00 3.72 H new ATOM 863 N LYS A 57 0.672 21.387 14.624 1.00 1.40 N ATOM 864 CA LYS A 57 0.603 20.381 13.559 1.00 1.34 C ATOM 865 C LYS A 57 0.326 18.960 14.092 1.00 1.21 C ATOM 866 O LYS A 57 1.081 18.452 14.920 1.00 1.45 O ATOM 867 CB LYS A 57 1.879 20.493 12.711 1.00 1.71 C ATOM 868 CG LYS A 57 3.213 20.138 13.398 1.00 2.25 C ATOM 869 CD LYS A 57 3.779 18.787 12.949 1.00 3.64 C ATOM 870 CE LYS A 57 4.119 18.831 11.452 1.00 4.11 C ATOM 871 NZ LYS A 57 4.690 17.550 10.980 1.00 6.04 N ATOM 0 H LYS A 57 1.625 21.576 14.933 1.00 1.40 H new ATOM 0 HA LYS A 57 -0.257 20.581 12.919 1.00 1.34 H new ATOM 0 HB2 LYS A 57 1.764 19.847 11.841 1.00 1.71 H new ATOM 0 HB3 LYS A 57 1.951 21.516 12.341 1.00 1.71 H new ATOM 0 HG2 LYS A 57 3.943 20.919 13.187 1.00 2.25 H new ATOM 0 HG3 LYS A 57 3.066 20.123 14.478 1.00 2.25 H new ATOM 0 HD2 LYS A 57 4.672 18.548 13.526 1.00 3.64 H new ATOM 0 HD3 LYS A 57 3.053 17.997 13.142 1.00 3.64 H new ATOM 0 HE2 LYS A 57 3.219 19.060 10.881 1.00 4.11 H new ATOM 0 HE3 LYS A 57 4.829 19.637 11.264 1.00 4.11 H new ATOM 0 HZ1 LYS A 57 4.295 17.317 10.046 1.00 6.04 H new ATOM 0 HZ2 LYS A 57 5.724 17.637 10.907 1.00 6.04 H new ATOM 0 HZ3 LYS A 57 4.453 16.795 11.654 1.00 6.04 H new ATOM 885 N VAL A 58 -0.718 18.307 13.583 1.00 1.08 N ATOM 886 CA VAL A 58 -1.203 16.973 13.986 1.00 1.05 C ATOM 887 C VAL A 58 -1.231 16.046 12.757 1.00 1.05 C ATOM 888 O VAL A 58 -1.428 16.514 11.637 1.00 1.16 O ATOM 889 CB VAL A 58 -2.602 17.090 14.642 1.00 1.13 C ATOM 890 CG1 VAL A 58 -3.142 15.733 15.122 1.00 1.47 C ATOM 891 CG2 VAL A 58 -2.570 18.048 15.851 1.00 1.51 C ATOM 0 H VAL A 58 -1.284 18.711 12.837 1.00 1.08 H new ATOM 0 HA VAL A 58 -0.527 16.542 14.725 1.00 1.05 H new ATOM 0 HB VAL A 58 -3.262 17.479 13.867 1.00 1.13 H new ATOM 0 HG11 VAL A 58 -4.124 15.871 15.574 1.00 1.47 H new ATOM 0 HG12 VAL A 58 -3.225 15.054 14.274 1.00 1.47 H new ATOM 0 HG13 VAL A 58 -2.460 15.310 15.860 1.00 1.47 H new ATOM 0 HG21 VAL A 58 -3.565 18.111 16.292 1.00 1.51 H new ATOM 0 HG22 VAL A 58 -1.867 17.672 16.594 1.00 1.51 H new ATOM 0 HG23 VAL A 58 -2.255 19.038 15.522 1.00 1.51 H new ATOM 901 N MET A 59 -0.993 14.742 12.948 1.00 1.08 N ATOM 902 CA MET A 59 -0.991 13.727 11.878 1.00 1.06 C ATOM 903 C MET A 59 -2.335 12.998 11.720 1.00 1.07 C ATOM 904 O MET A 59 -3.098 12.890 12.677 1.00 1.44 O ATOM 905 CB MET A 59 0.145 12.722 12.088 1.00 1.26 C ATOM 906 CG MET A 59 0.075 11.958 13.418 1.00 3.11 C ATOM 907 SD MET A 59 1.146 10.500 13.487 1.00 4.19 S ATOM 908 CE MET A 59 2.723 11.243 13.007 1.00 3.65 C ATOM 0 H MET A 59 -0.792 14.352 13.869 1.00 1.08 H new ATOM 0 HA MET A 59 -0.827 14.269 10.947 1.00 1.06 H new ATOM 0 HB2 MET A 59 0.135 12.003 11.269 1.00 1.26 H new ATOM 0 HB3 MET A 59 1.097 13.251 12.036 1.00 1.26 H new ATOM 0 HG2 MET A 59 0.347 12.634 14.228 1.00 3.11 H new ATOM 0 HG3 MET A 59 -0.955 11.648 13.593 1.00 3.11 H new ATOM 0 HE1 MET A 59 3.530 10.532 13.185 1.00 3.65 H new ATOM 0 HE2 MET A 59 2.696 11.503 11.949 1.00 3.65 H new ATOM 0 HE3 MET A 59 2.896 12.143 13.597 1.00 3.65 H new ATOM 918 N GLY A 60 -2.604 12.458 10.528 1.00 0.89 N ATOM 919 CA GLY A 60 -3.790 11.639 10.249 1.00 0.97 C ATOM 920 C GLY A 60 -3.595 10.674 9.083 1.00 0.82 C ATOM 921 O GLY A 60 -2.627 10.790 8.339 1.00 1.06 O ATOM 0 H GLY A 60 -1.996 12.578 9.718 1.00 0.89 H new ATOM 0 HA2 GLY A 60 -4.049 11.071 11.142 1.00 0.97 H new ATOM 0 HA3 GLY A 60 -4.633 12.295 10.032 1.00 0.97 H new ATOM 925 N MET A 61 -4.536 9.745 8.907 1.00 0.76 N ATOM 926 CA MET A 61 -4.612 8.823 7.762 1.00 0.66 C ATOM 927 C MET A 61 -5.999 8.894 7.119 1.00 0.67 C ATOM 928 O MET A 61 -6.993 9.149 7.803 1.00 0.82 O ATOM 929 CB MET A 61 -4.339 7.379 8.215 1.00 0.73 C ATOM 930 CG MET A 61 -2.895 7.188 8.681 1.00 0.86 C ATOM 931 SD MET A 61 -2.542 5.529 9.306 1.00 2.55 S ATOM 932 CE MET A 61 -0.779 5.741 9.651 1.00 2.02 C ATOM 0 H MET A 61 -5.293 9.605 9.577 1.00 0.76 H new ATOM 0 HA MET A 61 -3.857 9.120 7.034 1.00 0.66 H new ATOM 0 HB2 MET A 61 -5.019 7.119 9.026 1.00 0.73 H new ATOM 0 HB3 MET A 61 -4.548 6.695 7.392 1.00 0.73 H new ATOM 0 HG2 MET A 61 -2.224 7.403 7.850 1.00 0.86 H new ATOM 0 HG3 MET A 61 -2.677 7.915 9.463 1.00 0.86 H new ATOM 0 HE1 MET A 61 -0.372 4.812 10.050 1.00 2.02 H new ATOM 0 HE2 MET A 61 -0.257 6.000 8.730 1.00 2.02 H new ATOM 0 HE3 MET A 61 -0.645 6.539 10.381 1.00 2.02 H new ATOM 942 N ARG A 62 -6.076 8.652 5.810 1.00 0.61 N ATOM 943 CA ARG A 62 -7.329 8.586 5.039 1.00 0.62 C ATOM 944 C ARG A 62 -7.106 7.804 3.742 1.00 0.57 C ATOM 945 O ARG A 62 -6.013 7.935 3.183 1.00 0.53 O ATOM 946 CB ARG A 62 -7.842 9.988 4.652 1.00 0.78 C ATOM 947 CG ARG A 62 -8.771 10.624 5.699 1.00 1.55 C ATOM 948 CD ARG A 62 -9.655 11.722 5.086 1.00 2.06 C ATOM 949 NE ARG A 62 -10.673 11.179 4.163 1.00 3.27 N ATOM 950 CZ ARG A 62 -11.824 10.600 4.492 1.00 4.66 C ATOM 951 NH1 ARG A 62 -12.169 10.394 5.748 1.00 5.49 N ATOM 952 NH2 ARG A 62 -12.660 10.225 3.549 1.00 5.85 N ATOM 0 H ARG A 62 -5.248 8.491 5.236 1.00 0.61 H new ATOM 0 HA ARG A 62 -8.065 8.095 5.676 1.00 0.62 H new ATOM 0 HB2 ARG A 62 -6.987 10.645 4.492 1.00 0.78 H new ATOM 0 HB3 ARG A 62 -8.374 9.920 3.703 1.00 0.78 H new ATOM 0 HG2 ARG A 62 -9.403 9.853 6.141 1.00 1.55 H new ATOM 0 HG3 ARG A 62 -8.173 11.047 6.506 1.00 1.55 H new ATOM 0 HD2 ARG A 62 -10.151 12.273 5.885 1.00 2.06 H new ATOM 0 HD3 ARG A 62 -9.026 12.433 4.551 1.00 2.06 H new ATOM 0 HE ARG A 62 -10.471 11.257 3.166 1.00 3.27 H new ATOM 0 HH11 ARG A 62 -11.545 10.682 6.502 1.00 5.49 H new ATOM 0 HH12 ARG A 62 -13.060 9.947 5.965 1.00 5.49 H new ATOM 0 HH21 ARG A 62 -12.425 10.378 2.568 1.00 5.85 H new ATOM 0 HH22 ARG A 62 -13.544 9.781 3.798 1.00 5.85 H new ATOM 966 N PRO A 63 -8.129 7.111 3.203 1.00 0.62 N ATOM 967 CA PRO A 63 -8.094 6.637 1.835 1.00 0.61 C ATOM 968 C PRO A 63 -8.130 7.816 0.870 1.00 0.55 C ATOM 969 O PRO A 63 -8.779 8.829 1.136 1.00 0.55 O ATOM 970 CB PRO A 63 -9.270 5.694 1.625 1.00 0.72 C ATOM 971 CG PRO A 63 -10.166 5.911 2.836 1.00 0.79 C ATOM 972 CD PRO A 63 -9.443 6.878 3.779 1.00 0.70 C ATOM 0 HA PRO A 63 -7.169 6.094 1.639 1.00 0.61 H new ATOM 0 HB2 PRO A 63 -9.797 5.920 0.698 1.00 0.72 H new ATOM 0 HB3 PRO A 63 -8.939 4.658 1.559 1.00 0.72 H new ATOM 0 HG2 PRO A 63 -11.129 6.321 2.531 1.00 0.79 H new ATOM 0 HG3 PRO A 63 -10.367 4.965 3.338 1.00 0.79 H new ATOM 0 HD2 PRO A 63 -9.996 7.813 3.875 1.00 0.70 H new ATOM 0 HD3 PRO A 63 -9.358 6.454 4.779 1.00 0.70 H new ATOM 980 N VAL A 64 -7.440 7.635 -0.251 1.00 0.55 N ATOM 981 CA VAL A 64 -7.377 8.566 -1.388 1.00 0.53 C ATOM 982 C VAL A 64 -8.046 7.942 -2.618 1.00 0.54 C ATOM 983 O VAL A 64 -8.179 6.717 -2.672 1.00 0.56 O ATOM 984 CB VAL A 64 -5.918 8.969 -1.730 1.00 0.54 C ATOM 985 CG1 VAL A 64 -5.449 10.059 -0.763 1.00 0.56 C ATOM 986 CG2 VAL A 64 -4.916 7.802 -1.720 1.00 0.65 C ATOM 0 H VAL A 64 -6.880 6.797 -0.406 1.00 0.55 H new ATOM 0 HA VAL A 64 -7.911 9.471 -1.098 1.00 0.53 H new ATOM 0 HB VAL A 64 -5.939 9.335 -2.756 1.00 0.54 H new ATOM 0 HG11 VAL A 64 -4.424 10.342 -1.003 1.00 0.56 H new ATOM 0 HG12 VAL A 64 -6.097 10.930 -0.855 1.00 0.56 H new ATOM 0 HG13 VAL A 64 -5.491 9.682 0.259 1.00 0.56 H new ATOM 0 HG21 VAL A 64 -3.922 8.174 -1.969 1.00 0.65 H new ATOM 0 HG22 VAL A 64 -4.896 7.348 -0.729 1.00 0.65 H new ATOM 0 HG23 VAL A 64 -5.219 7.056 -2.454 1.00 0.65 H new ATOM 996 N PRO A 65 -8.454 8.745 -3.624 1.00 0.60 N ATOM 997 CA PRO A 65 -8.967 8.215 -4.883 1.00 0.67 C ATOM 998 C PRO A 65 -7.887 7.479 -5.688 1.00 0.56 C ATOM 999 O PRO A 65 -8.249 6.609 -6.475 1.00 0.53 O ATOM 1000 CB PRO A 65 -9.518 9.427 -5.642 1.00 0.82 C ATOM 1001 CG PRO A 65 -8.677 10.588 -5.113 1.00 0.78 C ATOM 1002 CD PRO A 65 -8.469 10.205 -3.650 1.00 0.65 C ATOM 0 HA PRO A 65 -9.739 7.466 -4.709 1.00 0.67 H new ATOM 0 HB2 PRO A 65 -9.408 9.310 -6.720 1.00 0.82 H new ATOM 0 HB3 PRO A 65 -10.579 9.577 -5.444 1.00 0.82 H new ATOM 0 HG2 PRO A 65 -7.731 10.680 -5.647 1.00 0.78 H new ATOM 0 HG3 PRO A 65 -9.194 11.542 -5.213 1.00 0.78 H new ATOM 0 HD2 PRO A 65 -7.534 10.613 -3.267 1.00 0.65 H new ATOM 0 HD3 PRO A 65 -9.269 10.600 -3.024 1.00 0.65 H new ATOM 1010 N PHE A 66 -6.594 7.792 -5.483 1.00 0.53 N ATOM 1011 CA PHE A 66 -5.446 7.180 -6.157 1.00 0.47 C ATOM 1012 C PHE A 66 -4.116 7.748 -5.642 1.00 0.51 C ATOM 1013 O PHE A 66 -4.061 8.834 -5.067 1.00 0.65 O ATOM 1014 CB PHE A 66 -5.540 7.322 -7.691 1.00 0.50 C ATOM 1015 CG PHE A 66 -5.644 8.735 -8.231 1.00 0.61 C ATOM 1016 CD1 PHE A 66 -4.487 9.505 -8.445 1.00 2.21 C ATOM 1017 CD2 PHE A 66 -6.904 9.261 -8.577 1.00 1.88 C ATOM 1018 CE1 PHE A 66 -4.586 10.789 -9.006 1.00 2.26 C ATOM 1019 CE2 PHE A 66 -7.005 10.550 -9.129 1.00 1.96 C ATOM 1020 CZ PHE A 66 -5.844 11.314 -9.349 1.00 0.95 C ATOM 0 H PHE A 66 -6.315 8.509 -4.814 1.00 0.53 H new ATOM 0 HA PHE A 66 -5.472 6.117 -5.917 1.00 0.47 H new ATOM 0 HB2 PHE A 66 -4.662 6.851 -8.132 1.00 0.50 H new ATOM 0 HB3 PHE A 66 -6.409 6.760 -8.034 1.00 0.50 H new ATOM 0 HD1 PHE A 66 -3.519 9.108 -8.177 1.00 2.21 H new ATOM 0 HD2 PHE A 66 -7.795 8.672 -8.418 1.00 1.88 H new ATOM 0 HE1 PHE A 66 -3.694 11.374 -9.174 1.00 2.26 H new ATOM 0 HE2 PHE A 66 -7.974 10.954 -9.384 1.00 1.96 H new ATOM 0 HZ PHE A 66 -5.919 12.301 -9.780 1.00 0.95 H new ATOM 1030 N LEU A 67 -3.038 7.022 -5.942 1.00 0.47 N ATOM 1031 CA LEU A 67 -1.693 7.559 -6.139 1.00 0.51 C ATOM 1032 C LEU A 67 -1.329 7.486 -7.626 1.00 0.49 C ATOM 1033 O LEU A 67 -2.010 6.829 -8.411 1.00 0.47 O ATOM 1034 CB LEU A 67 -0.682 6.721 -5.331 1.00 0.56 C ATOM 1035 CG LEU A 67 -0.329 7.263 -3.939 1.00 0.59 C ATOM 1036 CD1 LEU A 67 0.765 6.336 -3.395 1.00 1.03 C ATOM 1037 CD2 LEU A 67 0.230 8.695 -3.965 1.00 0.88 C ATOM 0 H LEU A 67 -3.080 6.010 -6.058 1.00 0.47 H new ATOM 0 HA LEU A 67 -1.664 8.595 -5.802 1.00 0.51 H new ATOM 0 HB2 LEU A 67 -1.082 5.713 -5.217 1.00 0.56 H new ATOM 0 HB3 LEU A 67 0.237 6.636 -5.911 1.00 0.56 H new ATOM 0 HG LEU A 67 -1.233 7.291 -3.331 1.00 0.59 H new ATOM 0 HD11 LEU A 67 1.063 6.669 -2.401 1.00 1.03 H new ATOM 0 HD12 LEU A 67 0.383 5.317 -3.337 1.00 1.03 H new ATOM 0 HD13 LEU A 67 1.628 6.362 -4.060 1.00 1.03 H new ATOM 0 HD21 LEU A 67 0.458 9.015 -2.948 1.00 0.88 H new ATOM 0 HD22 LEU A 67 1.139 8.720 -4.566 1.00 0.88 H new ATOM 0 HD23 LEU A 67 -0.510 9.367 -4.399 1.00 0.88 H new ATOM 1049 N GLU A 68 -0.192 8.061 -8.009 1.00 0.57 N ATOM 1050 CA GLU A 68 0.454 7.747 -9.279 1.00 0.66 C ATOM 1051 C GLU A 68 1.965 7.912 -9.202 1.00 0.70 C ATOM 1052 O GLU A 68 2.485 8.556 -8.294 1.00 0.70 O ATOM 1053 CB GLU A 68 -0.170 8.503 -10.461 1.00 0.96 C ATOM 1054 CG GLU A 68 0.229 9.951 -10.691 1.00 1.25 C ATOM 1055 CD GLU A 68 -0.544 10.409 -11.929 1.00 1.71 C ATOM 1056 OE1 GLU A 68 -1.777 10.612 -11.814 1.00 1.97 O ATOM 1057 OE2 GLU A 68 0.055 10.404 -13.026 1.00 2.99 O ATOM 0 H GLU A 68 0.305 8.755 -7.450 1.00 0.57 H new ATOM 0 HA GLU A 68 0.268 6.691 -9.475 1.00 0.66 H new ATOM 0 HB2 GLU A 68 0.063 7.947 -11.369 1.00 0.96 H new ATOM 0 HB3 GLU A 68 -1.253 8.474 -10.338 1.00 0.96 H new ATOM 0 HG2 GLU A 68 -0.019 10.566 -9.826 1.00 1.25 H new ATOM 0 HG3 GLU A 68 1.304 10.040 -10.847 1.00 1.25 H new ATOM 1064 N VAL A 69 2.646 7.294 -10.163 1.00 0.89 N ATOM 1065 CA VAL A 69 4.098 7.272 -10.315 1.00 0.85 C ATOM 1066 C VAL A 69 4.431 7.665 -11.763 1.00 0.87 C ATOM 1067 O VAL A 69 3.906 7.037 -12.691 1.00 1.00 O ATOM 1068 CB VAL A 69 4.687 5.873 -10.003 1.00 0.87 C ATOM 1069 CG1 VAL A 69 6.219 5.924 -9.905 1.00 0.85 C ATOM 1070 CG2 VAL A 69 4.147 5.268 -8.698 1.00 0.93 C ATOM 0 H VAL A 69 2.174 6.766 -10.897 1.00 0.89 H new ATOM 0 HA VAL A 69 4.540 7.974 -9.608 1.00 0.85 H new ATOM 0 HB VAL A 69 4.377 5.240 -10.834 1.00 0.87 H new ATOM 0 HG11 VAL A 69 6.603 4.928 -9.685 1.00 0.85 H new ATOM 0 HG12 VAL A 69 6.633 6.272 -10.852 1.00 0.85 H new ATOM 0 HG13 VAL A 69 6.510 6.609 -9.108 1.00 0.85 H new ATOM 0 HG21 VAL A 69 4.598 4.289 -8.537 1.00 0.93 H new ATOM 0 HG22 VAL A 69 4.395 5.924 -7.863 1.00 0.93 H new ATOM 0 HG23 VAL A 69 3.064 5.162 -8.767 1.00 0.93 H new ATOM 1080 N PRO A 70 5.290 8.680 -11.981 1.00 0.80 N ATOM 1081 CA PRO A 70 5.693 9.096 -13.319 1.00 0.83 C ATOM 1082 C PRO A 70 6.608 8.037 -13.956 1.00 0.74 C ATOM 1083 O PRO A 70 7.144 7.191 -13.238 1.00 0.71 O ATOM 1084 CB PRO A 70 6.399 10.441 -13.125 1.00 0.92 C ATOM 1085 CG PRO A 70 7.002 10.326 -11.725 1.00 0.86 C ATOM 1086 CD PRO A 70 5.984 9.471 -10.972 1.00 0.79 C ATOM 0 HA PRO A 70 4.849 9.200 -14.001 1.00 0.83 H new ATOM 0 HB2 PRO A 70 7.167 10.604 -13.881 1.00 0.92 H new ATOM 0 HB3 PRO A 70 5.701 11.275 -13.194 1.00 0.92 H new ATOM 0 HG2 PRO A 70 7.985 9.855 -11.748 1.00 0.86 H new ATOM 0 HG3 PRO A 70 7.128 11.304 -11.260 1.00 0.86 H new ATOM 0 HD2 PRO A 70 6.479 8.827 -10.245 1.00 0.79 H new ATOM 0 HD3 PRO A 70 5.284 10.097 -10.419 1.00 0.79 H new ATOM 1094 N PRO A 71 6.802 8.066 -15.286 1.00 0.79 N ATOM 1095 CA PRO A 71 7.681 7.130 -15.972 1.00 0.76 C ATOM 1096 C PRO A 71 9.119 7.277 -15.477 1.00 0.71 C ATOM 1097 O PRO A 71 9.603 8.387 -15.261 1.00 0.82 O ATOM 1098 CB PRO A 71 7.518 7.414 -17.461 1.00 0.88 C ATOM 1099 CG PRO A 71 6.988 8.844 -17.532 1.00 0.95 C ATOM 1100 CD PRO A 71 6.217 9.012 -16.225 1.00 0.91 C ATOM 0 HA PRO A 71 7.422 6.091 -15.768 1.00 0.76 H new ATOM 0 HB2 PRO A 71 8.467 7.318 -17.988 1.00 0.88 H new ATOM 0 HB3 PRO A 71 6.824 6.712 -17.924 1.00 0.88 H new ATOM 0 HG2 PRO A 71 7.799 9.568 -17.614 1.00 0.95 H new ATOM 0 HG3 PRO A 71 6.343 8.989 -18.399 1.00 0.95 H new ATOM 0 HD2 PRO A 71 6.300 10.033 -15.852 1.00 0.91 H new ATOM 0 HD3 PRO A 71 5.156 8.811 -16.370 1.00 0.91 H new ATOM 1108 N LYS A 72 9.776 6.132 -15.251 1.00 0.65 N ATOM 1109 CA LYS A 72 11.126 5.986 -14.671 1.00 0.68 C ATOM 1110 C LYS A 72 11.216 6.406 -13.192 1.00 0.78 C ATOM 1111 O LYS A 72 12.288 6.381 -12.591 1.00 0.93 O ATOM 1112 CB LYS A 72 12.178 6.701 -15.536 1.00 0.74 C ATOM 1113 CG LYS A 72 11.972 6.520 -17.044 1.00 0.95 C ATOM 1114 CD LYS A 72 11.998 5.060 -17.528 1.00 0.83 C ATOM 1115 CE LYS A 72 11.510 5.031 -18.977 1.00 1.11 C ATOM 1116 NZ LYS A 72 11.528 3.675 -19.565 1.00 1.47 N ATOM 0 H LYS A 72 9.360 5.229 -15.479 1.00 0.65 H new ATOM 0 HA LYS A 72 11.345 4.918 -14.678 1.00 0.68 H new ATOM 0 HB2 LYS A 72 12.163 7.766 -15.303 1.00 0.74 H new ATOM 0 HB3 LYS A 72 13.167 6.330 -15.268 1.00 0.74 H new ATOM 0 HG2 LYS A 72 11.016 6.963 -17.322 1.00 0.95 H new ATOM 0 HG3 LYS A 72 12.746 7.077 -17.572 1.00 0.95 H new ATOM 0 HD2 LYS A 72 13.007 4.654 -17.458 1.00 0.83 H new ATOM 0 HD3 LYS A 72 11.360 4.439 -16.899 1.00 0.83 H new ATOM 0 HE2 LYS A 72 10.495 5.427 -19.021 1.00 1.11 H new ATOM 0 HE3 LYS A 72 12.136 5.690 -19.579 1.00 1.11 H new ATOM 0 HZ1 LYS A 72 10.705 3.556 -20.189 1.00 1.47 H new ATOM 0 HZ2 LYS A 72 12.401 3.547 -20.116 1.00 1.47 H new ATOM 0 HZ3 LYS A 72 11.491 2.966 -18.805 1.00 1.47 H new ATOM 1130 N GLY A 73 10.079 6.790 -12.610 1.00 0.78 N ATOM 1131 CA GLY A 73 9.891 7.104 -11.211 1.00 0.85 C ATOM 1132 C GLY A 73 9.573 5.861 -10.403 1.00 0.76 C ATOM 1133 O GLY A 73 9.336 4.766 -10.909 1.00 0.96 O ATOM 0 H GLY A 73 9.217 6.893 -13.145 1.00 0.78 H new ATOM 0 HA2 GLY A 73 10.792 7.575 -10.818 1.00 0.85 H new ATOM 0 HA3 GLY A 73 9.082 7.826 -11.104 1.00 0.85 H new ATOM 1137 N ARG A 74 9.550 6.098 -9.102 1.00 1.33 N ATOM 1138 CA ARG A 74 9.454 5.086 -8.054 1.00 1.19 C ATOM 1139 C ARG A 74 8.879 5.657 -6.762 1.00 1.19 C ATOM 1140 O ARG A 74 9.174 6.791 -6.396 1.00 1.44 O ATOM 1141 CB ARG A 74 10.849 4.475 -7.824 1.00 1.34 C ATOM 1142 CG ARG A 74 10.942 3.557 -6.591 1.00 1.58 C ATOM 1143 CD ARG A 74 12.011 2.490 -6.780 1.00 1.50 C ATOM 1144 NE ARG A 74 12.591 2.040 -5.520 1.00 2.15 N ATOM 1145 CZ ARG A 74 13.542 1.126 -5.462 1.00 2.62 C ATOM 1146 NH1 ARG A 74 13.986 0.511 -6.546 1.00 2.80 N ATOM 1147 NH2 ARG A 74 14.061 0.842 -4.291 1.00 3.94 N ATOM 0 H ARG A 74 9.600 7.045 -8.726 1.00 1.33 H new ATOM 0 HA ARG A 74 8.764 4.307 -8.378 1.00 1.19 H new ATOM 0 HB2 ARG A 74 11.134 3.906 -8.709 1.00 1.34 H new ATOM 0 HB3 ARG A 74 11.574 5.282 -7.717 1.00 1.34 H new ATOM 0 HG2 ARG A 74 11.171 4.152 -5.707 1.00 1.58 H new ATOM 0 HG3 ARG A 74 9.977 3.082 -6.414 1.00 1.58 H new ATOM 0 HD2 ARG A 74 11.577 1.636 -7.300 1.00 1.50 H new ATOM 0 HD3 ARG A 74 12.802 2.884 -7.418 1.00 1.50 H new ATOM 0 HE ARG A 74 12.249 2.447 -4.650 1.00 2.15 H new ATOM 0 HH11 ARG A 74 13.592 0.739 -7.459 1.00 2.80 H new ATOM 0 HH12 ARG A 74 14.722 -0.191 -6.469 1.00 2.80 H new ATOM 0 HH21 ARG A 74 13.728 1.323 -3.455 1.00 3.94 H new ATOM 0 HH22 ARG A 74 14.797 0.140 -4.216 1.00 3.94 H new ATOM 1161 N VAL A 75 8.148 4.817 -6.033 1.00 1.01 N ATOM 1162 CA VAL A 75 7.698 5.045 -4.654 1.00 1.07 C ATOM 1163 C VAL A 75 8.050 3.843 -3.761 1.00 0.97 C ATOM 1164 O VAL A 75 8.197 2.717 -4.230 1.00 1.23 O ATOM 1165 CB VAL A 75 6.178 5.340 -4.603 1.00 1.59 C ATOM 1166 CG1 VAL A 75 5.858 6.689 -5.271 1.00 1.98 C ATOM 1167 CG2 VAL A 75 5.332 4.228 -5.249 1.00 1.76 C ATOM 0 H VAL A 75 7.837 3.918 -6.400 1.00 1.01 H new ATOM 0 HA VAL A 75 8.222 5.921 -4.272 1.00 1.07 H new ATOM 0 HB VAL A 75 5.912 5.383 -3.547 1.00 1.59 H new ATOM 0 HG11 VAL A 75 4.785 6.874 -5.222 1.00 1.98 H new ATOM 0 HG12 VAL A 75 6.387 7.487 -4.751 1.00 1.98 H new ATOM 0 HG13 VAL A 75 6.175 6.663 -6.314 1.00 1.98 H new ATOM 0 HG21 VAL A 75 4.276 4.490 -5.184 1.00 1.76 H new ATOM 0 HG22 VAL A 75 5.614 4.118 -6.296 1.00 1.76 H new ATOM 0 HG23 VAL A 75 5.506 3.288 -4.725 1.00 1.76 H new ATOM 1177 N GLU A 76 8.175 4.084 -2.456 1.00 1.06 N ATOM 1178 CA GLU A 76 8.237 3.039 -1.429 1.00 1.19 C ATOM 1179 C GLU A 76 7.186 3.399 -0.364 1.00 1.35 C ATOM 1180 O GLU A 76 7.279 4.457 0.269 1.00 1.55 O ATOM 1181 CB GLU A 76 9.658 2.908 -0.839 1.00 1.48 C ATOM 1182 CG GLU A 76 10.761 2.589 -1.876 1.00 2.25 C ATOM 1183 CD GLU A 76 12.166 2.429 -1.275 1.00 3.05 C ATOM 1184 OE1 GLU A 76 12.312 2.388 -0.030 1.00 3.50 O ATOM 1185 OE2 GLU A 76 13.161 2.364 -2.041 1.00 3.97 O ATOM 0 H GLU A 76 8.237 5.028 -2.074 1.00 1.06 H new ATOM 0 HA GLU A 76 8.015 2.060 -1.854 1.00 1.19 H new ATOM 0 HB2 GLU A 76 9.913 3.838 -0.332 1.00 1.48 H new ATOM 0 HB3 GLU A 76 9.652 2.124 -0.082 1.00 1.48 H new ATOM 0 HG2 GLU A 76 10.496 1.671 -2.400 1.00 2.25 H new ATOM 0 HG3 GLU A 76 10.785 3.385 -2.620 1.00 2.25 H new ATOM 1192 N LEU A 77 6.148 2.560 -0.238 1.00 1.23 N ATOM 1193 CA LEU A 77 4.910 2.850 0.507 1.00 0.98 C ATOM 1194 C LEU A 77 5.102 2.730 2.027 1.00 0.89 C ATOM 1195 O LEU A 77 4.954 1.672 2.637 1.00 1.15 O ATOM 1196 CB LEU A 77 3.733 1.993 -0.023 1.00 0.88 C ATOM 1197 CG LEU A 77 2.998 2.628 -1.226 1.00 0.94 C ATOM 1198 CD1 LEU A 77 3.771 2.430 -2.537 1.00 1.06 C ATOM 1199 CD2 LEU A 77 1.577 2.061 -1.371 1.00 0.90 C ATOM 0 H LEU A 77 6.145 1.633 -0.663 1.00 1.23 H new ATOM 0 HA LEU A 77 4.651 3.894 0.329 1.00 0.98 H new ATOM 0 HB2 LEU A 77 4.111 1.013 -0.315 1.00 0.88 H new ATOM 0 HB3 LEU A 77 3.019 1.832 0.785 1.00 0.88 H new ATOM 0 HG LEU A 77 2.934 3.697 -1.025 1.00 0.94 H new ATOM 0 HD11 LEU A 77 3.220 2.891 -3.357 1.00 1.06 H new ATOM 0 HD12 LEU A 77 4.754 2.894 -2.454 1.00 1.06 H new ATOM 0 HD13 LEU A 77 3.889 1.364 -2.733 1.00 1.06 H new ATOM 0 HD21 LEU A 77 1.085 2.526 -2.225 1.00 0.90 H new ATOM 0 HD22 LEU A 77 1.629 0.983 -1.525 1.00 0.90 H new ATOM 0 HD23 LEU A 77 1.007 2.271 -0.466 1.00 0.90 H new ATOM 1211 N LYS A 78 5.445 3.859 2.645 1.00 0.92 N ATOM 1212 CA LYS A 78 5.786 3.959 4.059 1.00 0.95 C ATOM 1213 C LYS A 78 4.526 4.178 4.937 1.00 0.82 C ATOM 1214 O LYS A 78 3.628 4.920 4.528 1.00 0.81 O ATOM 1215 CB LYS A 78 6.849 5.076 4.206 1.00 1.14 C ATOM 1216 CG LYS A 78 6.370 6.415 3.613 1.00 1.14 C ATOM 1217 CD LYS A 78 7.273 7.622 3.874 1.00 1.77 C ATOM 1218 CE LYS A 78 8.531 7.623 3.005 1.00 1.79 C ATOM 1219 NZ LYS A 78 9.156 8.968 3.018 1.00 2.91 N ATOM 0 H LYS A 78 5.494 4.755 2.159 1.00 0.92 H new ATOM 0 HA LYS A 78 6.210 3.023 4.423 1.00 0.95 H new ATOM 0 HB2 LYS A 78 7.087 5.212 5.261 1.00 1.14 H new ATOM 0 HB3 LYS A 78 7.769 4.768 3.708 1.00 1.14 H new ATOM 0 HG2 LYS A 78 6.260 6.294 2.535 1.00 1.14 H new ATOM 0 HG3 LYS A 78 5.380 6.633 4.012 1.00 1.14 H new ATOM 0 HD2 LYS A 78 6.710 8.537 3.690 1.00 1.77 H new ATOM 0 HD3 LYS A 78 7.563 7.632 4.925 1.00 1.77 H new ATOM 0 HE2 LYS A 78 9.239 6.881 3.374 1.00 1.79 H new ATOM 0 HE3 LYS A 78 8.277 7.341 1.983 1.00 1.79 H new ATOM 0 HZ1 LYS A 78 10.010 8.960 2.425 1.00 2.91 H new ATOM 0 HZ2 LYS A 78 8.483 9.667 2.645 1.00 2.91 H new ATOM 0 HZ3 LYS A 78 9.414 9.221 3.993 1.00 2.91 H new ATOM 1233 N PRO A 79 4.482 3.640 6.175 1.00 0.85 N ATOM 1234 CA PRO A 79 3.406 3.921 7.127 1.00 0.83 C ATOM 1235 C PRO A 79 3.372 5.388 7.587 1.00 0.80 C ATOM 1236 O PRO A 79 2.342 5.836 8.070 1.00 1.11 O ATOM 1237 CB PRO A 79 3.634 2.964 8.302 1.00 1.01 C ATOM 1238 CG PRO A 79 5.137 2.693 8.262 1.00 1.09 C ATOM 1239 CD PRO A 79 5.455 2.730 6.767 1.00 0.97 C ATOM 0 HA PRO A 79 2.434 3.766 6.658 1.00 0.83 H new ATOM 0 HB2 PRO A 79 3.333 3.413 9.248 1.00 1.01 H new ATOM 0 HB3 PRO A 79 3.058 2.045 8.188 1.00 1.01 H new ATOM 0 HG2 PRO A 79 5.698 3.448 8.812 1.00 1.09 H new ATOM 0 HG3 PRO A 79 5.385 1.728 8.703 1.00 1.09 H new ATOM 0 HD2 PRO A 79 6.473 3.079 6.593 1.00 0.97 H new ATOM 0 HD3 PRO A 79 5.379 1.736 6.327 1.00 0.97 H new ATOM 1247 N GLY A 80 4.460 6.152 7.408 1.00 0.80 N ATOM 1248 CA GLY A 80 4.481 7.617 7.519 1.00 0.86 C ATOM 1249 C GLY A 80 4.470 8.284 6.141 1.00 0.82 C ATOM 1250 O GLY A 80 5.397 9.029 5.825 1.00 1.12 O ATOM 0 H GLY A 80 5.372 5.758 7.176 1.00 0.80 H new ATOM 0 HA2 GLY A 80 3.617 7.952 8.093 1.00 0.86 H new ATOM 0 HA3 GLY A 80 5.369 7.929 8.068 1.00 0.86 H new ATOM 1254 N GLY A 81 3.506 7.924 5.286 1.00 0.73 N ATOM 1255 CA GLY A 81 3.375 8.434 3.911 1.00 0.69 C ATOM 1256 C GLY A 81 2.164 7.911 3.149 1.00 0.61 C ATOM 1257 O GLY A 81 1.208 8.643 2.949 1.00 0.72 O ATOM 0 H GLY A 81 2.777 7.255 5.534 1.00 0.73 H new ATOM 0 HA2 GLY A 81 3.323 9.522 3.945 1.00 0.69 H new ATOM 0 HA3 GLY A 81 4.276 8.175 3.355 1.00 0.69 H new ATOM 1261 N TYR A 82 2.229 6.663 2.684 1.00 0.54 N ATOM 1262 CA TYR A 82 1.282 6.021 1.757 1.00 0.59 C ATOM 1263 C TYR A 82 1.294 4.508 1.962 1.00 0.64 C ATOM 1264 O TYR A 82 2.364 3.926 2.111 1.00 0.70 O ATOM 1265 CB TYR A 82 1.648 6.346 0.303 1.00 0.71 C ATOM 1266 CG TYR A 82 1.642 7.827 -0.003 1.00 0.65 C ATOM 1267 CD1 TYR A 82 0.421 8.488 -0.231 1.00 1.54 C ATOM 1268 CD2 TYR A 82 2.844 8.559 0.037 1.00 1.90 C ATOM 1269 CE1 TYR A 82 0.391 9.885 -0.380 1.00 1.63 C ATOM 1270 CE2 TYR A 82 2.821 9.957 -0.097 1.00 1.84 C ATOM 1271 CZ TYR A 82 1.589 10.628 -0.290 1.00 0.69 C ATOM 1272 OH TYR A 82 1.544 11.984 -0.366 1.00 0.84 O ATOM 0 H TYR A 82 2.984 6.034 2.956 1.00 0.54 H new ATOM 0 HA TYR A 82 0.283 6.406 1.963 1.00 0.59 H new ATOM 0 HB2 TYR A 82 2.637 5.942 0.086 1.00 0.71 H new ATOM 0 HB3 TYR A 82 0.946 5.843 -0.362 1.00 0.71 H new ATOM 0 HD1 TYR A 82 -0.496 7.920 -0.292 1.00 1.54 H new ATOM 0 HD2 TYR A 82 3.784 8.045 0.171 1.00 1.90 H new ATOM 0 HE1 TYR A 82 -0.546 10.390 -0.563 1.00 1.63 H new ATOM 0 HE2 TYR A 82 3.742 10.520 -0.053 1.00 1.84 H new ATOM 0 HH TYR A 82 2.451 12.346 -0.286 1.00 0.84 H new ATOM 1282 N HIS A 83 0.136 3.853 1.965 1.00 0.64 N ATOM 1283 CA HIS A 83 -0.004 2.442 2.328 1.00 0.64 C ATOM 1284 C HIS A 83 -1.388 1.919 1.911 1.00 0.64 C ATOM 1285 O HIS A 83 -2.247 2.700 1.504 1.00 0.78 O ATOM 1286 CB HIS A 83 0.254 2.272 3.839 1.00 0.66 C ATOM 1287 CG HIS A 83 -0.796 2.910 4.717 1.00 0.64 C ATOM 1288 ND1 HIS A 83 -0.795 4.192 5.230 1.00 0.72 N ATOM 1289 CD2 HIS A 83 -1.947 2.311 5.150 1.00 0.76 C ATOM 1290 CE1 HIS A 83 -1.922 4.350 5.942 1.00 0.84 C ATOM 1291 NE2 HIS A 83 -2.653 3.224 5.929 1.00 0.87 N ATOM 0 H HIS A 83 -0.748 4.294 1.711 1.00 0.64 H new ATOM 0 HA HIS A 83 0.736 1.846 1.794 1.00 0.64 H new ATOM 0 HB2 HIS A 83 0.309 1.208 4.070 1.00 0.66 H new ATOM 0 HB3 HIS A 83 1.226 2.702 4.082 1.00 0.66 H new ATOM 0 HD1 HIS A 83 -0.068 4.894 5.092 1.00 0.72 H new ATOM 0 HD2 HIS A 83 -2.256 1.301 4.926 1.00 0.76 H new ATOM 0 HE1 HIS A 83 -2.202 5.258 6.455 1.00 0.84 H new ATOM 1299 N PHE A 84 -1.632 0.617 2.056 1.00 0.56 N ATOM 1300 CA PHE A 84 -2.953 0.029 1.857 1.00 0.58 C ATOM 1301 C PHE A 84 -3.579 -0.325 3.198 1.00 0.64 C ATOM 1302 O PHE A 84 -2.991 -1.119 3.928 1.00 0.73 O ATOM 1303 CB PHE A 84 -2.821 -1.243 1.018 1.00 0.60 C ATOM 1304 CG PHE A 84 -2.475 -0.990 -0.436 1.00 0.57 C ATOM 1305 CD1 PHE A 84 -3.418 -0.369 -1.275 1.00 1.69 C ATOM 1306 CD2 PHE A 84 -1.224 -1.375 -0.955 1.00 1.83 C ATOM 1307 CE1 PHE A 84 -3.119 -0.143 -2.627 1.00 1.61 C ATOM 1308 CE2 PHE A 84 -0.926 -1.138 -2.308 1.00 1.93 C ATOM 1309 CZ PHE A 84 -1.868 -0.515 -3.144 1.00 0.69 C ATOM 0 H PHE A 84 -0.915 -0.061 2.316 1.00 0.56 H new ATOM 0 HA PHE A 84 -3.587 0.752 1.344 1.00 0.58 H new ATOM 0 HB2 PHE A 84 -2.052 -1.878 1.458 1.00 0.60 H new ATOM 0 HB3 PHE A 84 -3.759 -1.797 1.067 1.00 0.60 H new ATOM 0 HD1 PHE A 84 -4.375 -0.065 -0.877 1.00 1.69 H new ATOM 0 HD2 PHE A 84 -0.496 -1.851 -0.315 1.00 1.83 H new ATOM 0 HE1 PHE A 84 -3.853 0.318 -3.271 1.00 1.61 H new ATOM 0 HE2 PHE A 84 0.032 -1.436 -2.707 1.00 1.93 H new ATOM 0 HZ PHE A 84 -1.631 -0.323 -4.180 1.00 0.69 H new ATOM 1319 N MET A 85 -4.779 0.166 3.505 1.00 0.63 N ATOM 1320 CA MET A 85 -5.576 -0.415 4.590 1.00 0.63 C ATOM 1321 C MET A 85 -6.180 -1.734 4.129 1.00 0.57 C ATOM 1322 O MET A 85 -6.751 -1.796 3.038 1.00 0.66 O ATOM 1323 CB MET A 85 -6.685 0.543 5.050 1.00 0.68 C ATOM 1324 CG MET A 85 -6.226 1.387 6.239 1.00 0.81 C ATOM 1325 SD MET A 85 -5.855 0.417 7.725 1.00 0.88 S ATOM 1326 CE MET A 85 -4.132 0.912 7.895 1.00 1.00 C ATOM 0 H MET A 85 -5.218 0.953 3.027 1.00 0.63 H new ATOM 0 HA MET A 85 -4.918 -0.591 5.441 1.00 0.63 H new ATOM 0 HB2 MET A 85 -6.971 1.196 4.225 1.00 0.68 H new ATOM 0 HB3 MET A 85 -7.571 -0.028 5.326 1.00 0.68 H new ATOM 0 HG2 MET A 85 -5.337 1.949 5.952 1.00 0.81 H new ATOM 0 HG3 MET A 85 -7.001 2.116 6.476 1.00 0.81 H new ATOM 0 HE1 MET A 85 -3.663 0.330 8.688 1.00 1.00 H new ATOM 0 HE2 MET A 85 -3.608 0.735 6.956 1.00 1.00 H new ATOM 0 HE3 MET A 85 -4.081 1.972 8.144 1.00 1.00 H new ATOM 1336 N LEU A 86 -6.053 -2.766 4.971 1.00 0.56 N ATOM 1337 CA LEU A 86 -6.768 -4.033 4.843 1.00 0.60 C ATOM 1338 C LEU A 86 -7.782 -4.153 5.989 1.00 0.72 C ATOM 1339 O LEU A 86 -7.437 -3.942 7.155 1.00 1.02 O ATOM 1340 CB LEU A 86 -5.786 -5.223 4.844 1.00 0.62 C ATOM 1341 CG LEU A 86 -4.645 -5.167 3.806 1.00 0.72 C ATOM 1342 CD1 LEU A 86 -3.864 -6.489 3.852 1.00 1.50 C ATOM 1343 CD2 LEU A 86 -5.141 -4.928 2.375 1.00 1.26 C ATOM 0 H LEU A 86 -5.433 -2.738 5.780 1.00 0.56 H new ATOM 0 HA LEU A 86 -7.299 -4.054 3.891 1.00 0.60 H new ATOM 0 HB2 LEU A 86 -5.342 -5.300 5.837 1.00 0.62 H new ATOM 0 HB3 LEU A 86 -6.356 -6.137 4.678 1.00 0.62 H new ATOM 0 HG LEU A 86 -4.012 -4.320 4.070 1.00 0.72 H new ATOM 0 HD11 LEU A 86 -3.055 -6.459 3.122 1.00 1.50 H new ATOM 0 HD12 LEU A 86 -3.448 -6.631 4.849 1.00 1.50 H new ATOM 0 HD13 LEU A 86 -4.534 -7.316 3.618 1.00 1.50 H new ATOM 0 HD21 LEU A 86 -4.290 -4.899 1.695 1.00 1.26 H new ATOM 0 HD22 LEU A 86 -5.812 -5.736 2.083 1.00 1.26 H new ATOM 0 HD23 LEU A 86 -5.674 -3.979 2.329 1.00 1.26 H new ATOM 1355 N LEU A 87 -9.013 -4.522 5.641 1.00 0.65 N ATOM 1356 CA LEU A 87 -10.169 -4.672 6.521 1.00 0.75 C ATOM 1357 C LEU A 87 -10.927 -5.948 6.135 1.00 0.84 C ATOM 1358 O LEU A 87 -11.440 -6.061 5.021 1.00 1.19 O ATOM 1359 CB LEU A 87 -11.058 -3.410 6.387 1.00 0.86 C ATOM 1360 CG LEU A 87 -10.935 -2.449 7.582 1.00 1.09 C ATOM 1361 CD1 LEU A 87 -11.469 -1.061 7.213 1.00 1.61 C ATOM 1362 CD2 LEU A 87 -11.736 -2.994 8.773 1.00 2.82 C ATOM 0 H LEU A 87 -9.244 -4.739 4.671 1.00 0.65 H new ATOM 0 HA LEU A 87 -9.863 -4.766 7.563 1.00 0.75 H new ATOM 0 HB2 LEU A 87 -10.788 -2.879 5.474 1.00 0.86 H new ATOM 0 HB3 LEU A 87 -12.099 -3.717 6.282 1.00 0.86 H new ATOM 0 HG LEU A 87 -9.882 -2.367 7.850 1.00 1.09 H new ATOM 0 HD11 LEU A 87 -11.374 -0.395 8.070 1.00 1.61 H new ATOM 0 HD12 LEU A 87 -10.895 -0.661 6.377 1.00 1.61 H new ATOM 0 HD13 LEU A 87 -12.518 -1.139 6.929 1.00 1.61 H new ATOM 0 HD21 LEU A 87 -11.645 -2.309 9.616 1.00 2.82 H new ATOM 0 HD22 LEU A 87 -12.785 -3.088 8.493 1.00 2.82 H new ATOM 0 HD23 LEU A 87 -11.347 -3.972 9.056 1.00 2.82 H new ATOM 1374 N GLY A 88 -11.000 -6.914 7.054 1.00 0.69 N ATOM 1375 CA GLY A 88 -11.510 -8.257 6.763 1.00 0.78 C ATOM 1376 C GLY A 88 -10.425 -9.103 6.104 1.00 0.94 C ATOM 1377 O GLY A 88 -10.037 -8.839 4.966 1.00 1.75 O ATOM 0 H GLY A 88 -10.707 -6.787 8.023 1.00 0.69 H new ATOM 0 HA2 GLY A 88 -11.844 -8.734 7.684 1.00 0.78 H new ATOM 0 HA3 GLY A 88 -12.377 -8.190 6.106 1.00 0.78 H new ATOM 1381 N LEU A 89 -9.936 -10.124 6.810 1.00 0.79 N ATOM 1382 CA LEU A 89 -8.983 -11.092 6.266 1.00 0.97 C ATOM 1383 C LEU A 89 -9.616 -12.480 6.132 1.00 1.11 C ATOM 1384 O LEU A 89 -10.320 -12.952 7.020 1.00 1.35 O ATOM 1385 CB LEU A 89 -7.710 -11.178 7.122 1.00 1.12 C ATOM 1386 CG LEU A 89 -6.891 -9.891 7.339 1.00 1.09 C ATOM 1387 CD1 LEU A 89 -5.573 -10.297 8.012 1.00 1.54 C ATOM 1388 CD2 LEU A 89 -6.557 -9.117 6.057 1.00 1.26 C ATOM 0 H LEU A 89 -10.192 -10.303 7.781 1.00 0.79 H new ATOM 0 HA LEU A 89 -8.705 -10.737 5.274 1.00 0.97 H new ATOM 0 HB2 LEU A 89 -7.993 -11.562 8.102 1.00 1.12 H new ATOM 0 HB3 LEU A 89 -7.052 -11.919 6.667 1.00 1.12 H new ATOM 0 HG LEU A 89 -7.504 -9.222 7.943 1.00 1.09 H new ATOM 0 HD11 LEU A 89 -4.963 -9.410 8.183 1.00 1.54 H new ATOM 0 HD12 LEU A 89 -5.785 -10.781 8.966 1.00 1.54 H new ATOM 0 HD13 LEU A 89 -5.033 -10.990 7.366 1.00 1.54 H new ATOM 0 HD21 LEU A 89 -5.980 -8.228 6.309 1.00 1.26 H new ATOM 0 HD22 LEU A 89 -5.973 -9.752 5.390 1.00 1.26 H new ATOM 0 HD23 LEU A 89 -7.481 -8.821 5.560 1.00 1.26 H new ATOM 1400 N LYS A 90 -9.267 -13.177 5.053 1.00 1.06 N ATOM 1401 CA LYS A 90 -9.597 -14.594 4.858 1.00 1.02 C ATOM 1402 C LYS A 90 -8.597 -15.537 5.573 1.00 0.96 C ATOM 1403 O LYS A 90 -8.698 -16.756 5.439 1.00 0.99 O ATOM 1404 CB LYS A 90 -9.681 -14.893 3.349 1.00 1.15 C ATOM 1405 CG LYS A 90 -10.554 -13.896 2.563 1.00 1.10 C ATOM 1406 CD LYS A 90 -10.825 -14.409 1.142 1.00 1.58 C ATOM 1407 CE LYS A 90 -11.139 -13.254 0.181 1.00 1.75 C ATOM 1408 NZ LYS A 90 -12.545 -12.817 0.298 1.00 1.45 N ATOM 0 H LYS A 90 -8.741 -12.773 4.278 1.00 1.06 H new ATOM 0 HA LYS A 90 -10.567 -14.787 5.316 1.00 1.02 H new ATOM 0 HB2 LYS A 90 -8.674 -14.888 2.931 1.00 1.15 H new ATOM 0 HB3 LYS A 90 -10.079 -15.898 3.209 1.00 1.15 H new ATOM 0 HG2 LYS A 90 -11.498 -13.743 3.085 1.00 1.10 H new ATOM 0 HG3 LYS A 90 -10.055 -12.928 2.516 1.00 1.10 H new ATOM 0 HD2 LYS A 90 -9.957 -14.960 0.780 1.00 1.58 H new ATOM 0 HD3 LYS A 90 -11.661 -15.108 1.159 1.00 1.58 H new ATOM 0 HE2 LYS A 90 -10.477 -12.414 0.392 1.00 1.75 H new ATOM 0 HE3 LYS A 90 -10.939 -13.568 -0.844 1.00 1.75 H new ATOM 0 HZ1 LYS A 90 -12.700 -11.982 -0.302 1.00 1.45 H new ATOM 0 HZ2 LYS A 90 -13.174 -13.586 -0.009 1.00 1.45 H new ATOM 0 HZ3 LYS A 90 -12.752 -12.575 1.288 1.00 1.45 H new ATOM 1422 N ARG A 91 -7.608 -14.981 6.293 1.00 1.10 N ATOM 1423 CA ARG A 91 -6.498 -15.672 6.976 1.00 1.13 C ATOM 1424 C ARG A 91 -6.039 -14.888 8.230 1.00 1.18 C ATOM 1425 O ARG A 91 -6.198 -13.666 8.258 1.00 1.54 O ATOM 1426 CB ARG A 91 -5.269 -15.789 6.042 1.00 1.42 C ATOM 1427 CG ARG A 91 -5.503 -16.470 4.687 1.00 1.79 C ATOM 1428 CD ARG A 91 -4.195 -16.611 3.889 1.00 1.98 C ATOM 1429 NE ARG A 91 -3.244 -17.581 4.468 1.00 2.38 N ATOM 1430 CZ ARG A 91 -3.331 -18.904 4.449 1.00 3.09 C ATOM 1431 NH1 ARG A 91 -4.388 -19.557 4.002 1.00 3.91 N ATOM 1432 NH2 ARG A 91 -2.305 -19.587 4.891 1.00 4.07 N ATOM 0 H ARG A 91 -7.558 -13.971 6.423 1.00 1.10 H new ATOM 0 HA ARG A 91 -6.868 -16.658 7.257 1.00 1.13 H new ATOM 0 HB2 ARG A 91 -4.883 -14.786 5.858 1.00 1.42 H new ATOM 0 HB3 ARG A 91 -4.490 -16.338 6.570 1.00 1.42 H new ATOM 0 HG2 ARG A 91 -5.941 -17.456 4.846 1.00 1.79 H new ATOM 0 HG3 ARG A 91 -6.222 -15.891 4.108 1.00 1.79 H new ATOM 0 HD2 ARG A 91 -4.433 -16.915 2.870 1.00 1.98 H new ATOM 0 HD3 ARG A 91 -3.712 -15.636 3.826 1.00 1.98 H new ATOM 0 HE ARG A 91 -2.427 -17.189 4.936 1.00 2.38 H new ATOM 0 HH11 ARG A 91 -5.193 -19.042 3.647 1.00 3.91 H new ATOM 0 HH12 ARG A 91 -4.399 -20.577 4.012 1.00 3.91 H new ATOM 0 HH21 ARG A 91 -1.477 -19.099 5.234 1.00 4.07 H new ATOM 0 HH22 ARG A 91 -2.334 -20.607 4.893 1.00 4.07 H new ATOM 1446 N PRO A 92 -5.400 -15.544 9.220 1.00 1.13 N ATOM 1447 CA PRO A 92 -4.426 -14.885 10.088 1.00 1.10 C ATOM 1448 C PRO A 92 -3.148 -14.594 9.283 1.00 1.10 C ATOM 1449 O PRO A 92 -2.949 -15.166 8.211 1.00 1.61 O ATOM 1450 CB PRO A 92 -4.166 -15.886 11.214 1.00 1.33 C ATOM 1451 CG PRO A 92 -4.289 -17.233 10.499 1.00 1.50 C ATOM 1452 CD PRO A 92 -5.374 -16.986 9.446 1.00 1.35 C ATOM 0 HA PRO A 92 -4.774 -13.931 10.484 1.00 1.10 H new ATOM 0 HB2 PRO A 92 -3.179 -15.751 11.657 1.00 1.33 H new ATOM 0 HB3 PRO A 92 -4.893 -15.787 12.020 1.00 1.33 H new ATOM 0 HG2 PRO A 92 -3.346 -17.531 10.040 1.00 1.50 H new ATOM 0 HG3 PRO A 92 -4.573 -18.028 11.188 1.00 1.50 H new ATOM 0 HD2 PRO A 92 -5.150 -17.521 8.523 1.00 1.35 H new ATOM 0 HD3 PRO A 92 -6.343 -17.343 9.794 1.00 1.35 H new ATOM 1460 N LEU A 93 -2.262 -13.738 9.802 1.00 1.17 N ATOM 1461 CA LEU A 93 -0.972 -13.438 9.174 1.00 1.26 C ATOM 1462 C LEU A 93 0.152 -13.986 10.060 1.00 1.36 C ATOM 1463 O LEU A 93 0.163 -13.788 11.270 1.00 1.70 O ATOM 1464 CB LEU A 93 -0.866 -11.920 8.912 1.00 1.36 C ATOM 1465 CG LEU A 93 -1.991 -11.373 7.998 1.00 1.65 C ATOM 1466 CD1 LEU A 93 -1.975 -9.840 7.959 1.00 2.73 C ATOM 1467 CD2 LEU A 93 -1.878 -11.911 6.561 1.00 1.91 C ATOM 0 H LEU A 93 -2.420 -13.232 10.673 1.00 1.17 H new ATOM 0 HA LEU A 93 -0.882 -13.926 8.204 1.00 1.26 H new ATOM 0 HB2 LEU A 93 -0.893 -11.392 9.865 1.00 1.36 H new ATOM 0 HB3 LEU A 93 0.100 -11.704 8.455 1.00 1.36 H new ATOM 0 HG LEU A 93 -2.932 -11.718 8.427 1.00 1.65 H new ATOM 0 HD11 LEU A 93 -2.775 -9.484 7.310 1.00 2.73 H new ATOM 0 HD12 LEU A 93 -2.123 -9.449 8.966 1.00 2.73 H new ATOM 0 HD13 LEU A 93 -1.015 -9.496 7.574 1.00 2.73 H new ATOM 0 HD21 LEU A 93 -2.686 -11.502 5.955 1.00 1.91 H new ATOM 0 HD22 LEU A 93 -0.919 -11.614 6.136 1.00 1.91 H new ATOM 0 HD23 LEU A 93 -1.948 -12.999 6.573 1.00 1.91 H new ATOM 1479 N LYS A 94 1.096 -14.719 9.469 1.00 1.32 N ATOM 1480 CA LYS A 94 2.108 -15.497 10.185 1.00 1.41 C ATOM 1481 C LYS A 94 3.456 -15.307 9.471 1.00 1.29 C ATOM 1482 O LYS A 94 3.557 -15.642 8.291 1.00 1.76 O ATOM 1483 CB LYS A 94 1.576 -16.951 10.164 1.00 1.78 C ATOM 1484 CG LYS A 94 2.287 -18.021 10.998 1.00 2.14 C ATOM 1485 CD LYS A 94 3.673 -18.443 10.499 1.00 2.54 C ATOM 1486 CE LYS A 94 3.766 -19.278 9.207 1.00 3.12 C ATOM 1487 NZ LYS A 94 3.474 -18.514 7.974 1.00 3.53 N ATOM 0 H LYS A 94 1.180 -14.790 8.455 1.00 1.32 H new ATOM 0 HA LYS A 94 2.277 -15.194 11.218 1.00 1.41 H new ATOM 0 HB2 LYS A 94 0.535 -16.924 10.485 1.00 1.78 H new ATOM 0 HB3 LYS A 94 1.581 -17.287 9.127 1.00 1.78 H new ATOM 0 HG2 LYS A 94 2.386 -17.653 12.019 1.00 2.14 H new ATOM 0 HG3 LYS A 94 1.651 -18.905 11.038 1.00 2.14 H new ATOM 0 HD2 LYS A 94 4.262 -17.538 10.352 1.00 2.54 H new ATOM 0 HD3 LYS A 94 4.154 -19.010 11.296 1.00 2.54 H new ATOM 0 HE2 LYS A 94 4.768 -19.701 9.131 1.00 3.12 H new ATOM 0 HE3 LYS A 94 3.071 -20.115 9.277 1.00 3.12 H new ATOM 0 HZ1 LYS A 94 4.061 -18.874 7.195 1.00 3.53 H new ATOM 0 HZ2 LYS A 94 2.469 -18.622 7.728 1.00 3.53 H new ATOM 0 HZ3 LYS A 94 3.686 -17.508 8.131 1.00 3.53 H new ATOM 1501 N ALA A 95 4.509 -14.822 10.144 1.00 1.19 N ATOM 1502 CA ALA A 95 5.809 -14.586 9.487 1.00 1.19 C ATOM 1503 C ALA A 95 6.334 -15.838 8.749 1.00 1.21 C ATOM 1504 O ALA A 95 6.336 -16.928 9.319 1.00 1.31 O ATOM 1505 CB ALA A 95 6.803 -14.060 10.529 1.00 1.40 C ATOM 0 H ALA A 95 4.490 -14.586 11.136 1.00 1.19 H new ATOM 0 HA ALA A 95 5.680 -13.833 8.710 1.00 1.19 H new ATOM 0 HB1 ALA A 95 7.768 -13.882 10.054 1.00 1.40 H new ATOM 0 HB2 ALA A 95 6.429 -13.127 10.951 1.00 1.40 H new ATOM 0 HB3 ALA A 95 6.920 -14.796 11.324 1.00 1.40 H new ATOM 1511 N GLY A 96 6.706 -15.709 7.470 1.00 1.35 N ATOM 1512 CA GLY A 96 7.061 -16.848 6.609 1.00 1.58 C ATOM 1513 C GLY A 96 5.847 -17.598 6.049 1.00 1.77 C ATOM 1514 O GLY A 96 5.766 -18.821 6.148 1.00 2.48 O ATOM 0 H GLY A 96 6.770 -14.807 6.999 1.00 1.35 H new ATOM 0 HA2 GLY A 96 7.670 -16.489 5.779 1.00 1.58 H new ATOM 0 HA3 GLY A 96 7.677 -17.545 7.178 1.00 1.58 H new ATOM 1518 N GLU A 97 4.846 -16.873 5.552 1.00 1.47 N ATOM 1519 CA GLU A 97 4.091 -17.235 4.367 1.00 1.51 C ATOM 1520 C GLU A 97 3.926 -16.004 3.482 1.00 1.49 C ATOM 1521 O GLU A 97 4.158 -14.885 3.934 1.00 1.66 O ATOM 1522 CB GLU A 97 2.735 -17.810 4.740 1.00 1.93 C ATOM 1523 CG GLU A 97 1.721 -16.909 5.466 1.00 1.67 C ATOM 1524 CD GLU A 97 0.604 -17.763 6.072 1.00 1.84 C ATOM 1525 OE1 GLU A 97 0.935 -18.581 6.963 1.00 2.48 O ATOM 1526 OE2 GLU A 97 -0.565 -17.653 5.632 1.00 2.71 O ATOM 0 H GLU A 97 4.535 -15.999 5.976 1.00 1.47 H new ATOM 0 HA GLU A 97 4.636 -18.005 3.820 1.00 1.51 H new ATOM 0 HB2 GLU A 97 2.264 -18.165 3.823 1.00 1.93 H new ATOM 0 HB3 GLU A 97 2.909 -18.684 5.368 1.00 1.93 H new ATOM 0 HG2 GLU A 97 2.222 -16.341 6.250 1.00 1.67 H new ATOM 0 HG3 GLU A 97 1.299 -16.186 4.768 1.00 1.67 H new ATOM 1533 N GLU A 98 3.519 -16.216 2.234 1.00 1.47 N ATOM 1534 CA GLU A 98 3.544 -15.202 1.177 1.00 1.35 C ATOM 1535 C GLU A 98 2.132 -14.836 0.691 1.00 1.31 C ATOM 1536 O GLU A 98 1.193 -15.621 0.792 1.00 1.51 O ATOM 1537 CB GLU A 98 4.418 -15.698 0.007 1.00 1.43 C ATOM 1538 CG GLU A 98 5.934 -15.574 0.251 1.00 1.84 C ATOM 1539 CD GLU A 98 6.396 -16.237 1.551 1.00 3.40 C ATOM 1540 OE1 GLU A 98 6.298 -17.480 1.629 1.00 4.13 O ATOM 1541 OE2 GLU A 98 6.788 -15.486 2.476 1.00 4.72 O ATOM 0 H GLU A 98 3.154 -17.115 1.920 1.00 1.47 H new ATOM 0 HA GLU A 98 3.977 -14.292 1.592 1.00 1.35 H new ATOM 0 HB2 GLU A 98 4.178 -16.742 -0.193 1.00 1.43 H new ATOM 0 HB3 GLU A 98 4.159 -15.134 -0.889 1.00 1.43 H new ATOM 0 HG2 GLU A 98 6.467 -16.023 -0.587 1.00 1.84 H new ATOM 0 HG3 GLU A 98 6.206 -14.519 0.273 1.00 1.84 H new ATOM 1548 N VAL A 99 1.995 -13.627 0.143 1.00 1.20 N ATOM 1549 CA VAL A 99 0.735 -12.995 -0.278 1.00 1.11 C ATOM 1550 C VAL A 99 0.849 -12.540 -1.734 1.00 1.04 C ATOM 1551 O VAL A 99 1.649 -11.659 -2.045 1.00 1.04 O ATOM 1552 CB VAL A 99 0.419 -11.771 0.626 1.00 1.08 C ATOM 1553 CG1 VAL A 99 -0.815 -10.979 0.153 1.00 1.05 C ATOM 1554 CG2 VAL A 99 0.198 -12.191 2.088 1.00 1.09 C ATOM 0 H VAL A 99 2.802 -13.027 -0.030 1.00 1.20 H new ATOM 0 HA VAL A 99 -0.072 -13.722 -0.185 1.00 1.11 H new ATOM 0 HB VAL A 99 1.294 -11.126 0.552 1.00 1.08 H new ATOM 0 HG11 VAL A 99 -0.986 -10.137 0.823 1.00 1.05 H new ATOM 0 HG12 VAL A 99 -0.644 -10.609 -0.858 1.00 1.05 H new ATOM 0 HG13 VAL A 99 -1.689 -11.630 0.159 1.00 1.05 H new ATOM 0 HG21 VAL A 99 -0.021 -11.309 2.691 1.00 1.09 H new ATOM 0 HG22 VAL A 99 -0.640 -12.886 2.144 1.00 1.09 H new ATOM 0 HG23 VAL A 99 1.098 -12.676 2.467 1.00 1.09 H new ATOM 1564 N GLU A 100 0.007 -13.087 -2.617 1.00 1.03 N ATOM 1565 CA GLU A 100 -0.239 -12.497 -3.942 1.00 0.96 C ATOM 1566 C GLU A 100 -1.063 -11.208 -3.804 1.00 0.83 C ATOM 1567 O GLU A 100 -1.967 -11.123 -2.967 1.00 0.91 O ATOM 1568 CB GLU A 100 -1.011 -13.454 -4.872 1.00 1.18 C ATOM 1569 CG GLU A 100 -0.122 -14.480 -5.589 1.00 1.32 C ATOM 1570 CD GLU A 100 -0.884 -15.176 -6.725 1.00 2.01 C ATOM 1571 OE1 GLU A 100 -1.371 -14.443 -7.620 1.00 2.75 O ATOM 1572 OE2 GLU A 100 -0.969 -16.420 -6.693 1.00 2.87 O ATOM 0 H GLU A 100 -0.519 -13.942 -2.439 1.00 1.03 H new ATOM 0 HA GLU A 100 0.739 -12.292 -4.377 1.00 0.96 H new ATOM 0 HB2 GLU A 100 -1.762 -13.985 -4.287 1.00 1.18 H new ATOM 0 HB3 GLU A 100 -1.545 -12.866 -5.619 1.00 1.18 H new ATOM 0 HG2 GLU A 100 0.761 -13.983 -5.991 1.00 1.32 H new ATOM 0 HG3 GLU A 100 0.229 -15.224 -4.874 1.00 1.32 H new ATOM 1579 N LEU A 101 -0.815 -10.228 -4.678 1.00 0.83 N ATOM 1580 CA LEU A 101 -1.587 -8.987 -4.742 1.00 0.82 C ATOM 1581 C LEU A 101 -1.518 -8.347 -6.137 1.00 0.75 C ATOM 1582 O LEU A 101 -0.436 -8.102 -6.667 1.00 0.74 O ATOM 1583 CB LEU A 101 -1.120 -8.083 -3.582 1.00 0.93 C ATOM 1584 CG LEU A 101 -1.873 -6.775 -3.335 1.00 1.29 C ATOM 1585 CD1 LEU A 101 -1.482 -6.200 -1.968 1.00 1.53 C ATOM 1586 CD2 LEU A 101 -1.573 -5.748 -4.428 1.00 1.89 C ATOM 0 H LEU A 101 -0.065 -10.276 -5.367 1.00 0.83 H new ATOM 0 HA LEU A 101 -2.652 -9.175 -4.605 1.00 0.82 H new ATOM 0 HB2 LEU A 101 -1.163 -8.670 -2.665 1.00 0.93 H new ATOM 0 HB3 LEU A 101 -0.072 -7.836 -3.754 1.00 0.93 H new ATOM 0 HG LEU A 101 -2.941 -6.991 -3.352 1.00 1.29 H new ATOM 0 HD11 LEU A 101 -2.021 -5.268 -1.797 1.00 1.53 H new ATOM 0 HD12 LEU A 101 -1.737 -6.915 -1.186 1.00 1.53 H new ATOM 0 HD13 LEU A 101 -0.409 -6.007 -1.948 1.00 1.53 H new ATOM 0 HD21 LEU A 101 -2.123 -4.829 -4.225 1.00 1.89 H new ATOM 0 HD22 LEU A 101 -0.504 -5.535 -4.444 1.00 1.89 H new ATOM 0 HD23 LEU A 101 -1.878 -6.147 -5.396 1.00 1.89 H new ATOM 1598 N ASP A 102 -2.698 -8.083 -6.698 1.00 0.75 N ATOM 1599 CA ASP A 102 -3.009 -7.365 -7.939 1.00 0.72 C ATOM 1600 C ASP A 102 -3.097 -5.847 -7.701 1.00 0.64 C ATOM 1601 O ASP A 102 -4.017 -5.365 -7.034 1.00 0.66 O ATOM 1602 CB ASP A 102 -4.370 -7.877 -8.455 1.00 0.85 C ATOM 1603 CG ASP A 102 -4.254 -9.044 -9.439 1.00 1.24 C ATOM 1604 OD1 ASP A 102 -3.415 -8.998 -10.368 1.00 2.19 O ATOM 1605 OD2 ASP A 102 -4.987 -10.040 -9.252 1.00 1.92 O ATOM 0 H ASP A 102 -3.555 -8.401 -6.246 1.00 0.75 H new ATOM 0 HA ASP A 102 -2.216 -7.545 -8.665 1.00 0.72 H new ATOM 0 HB2 ASP A 102 -4.977 -8.189 -7.605 1.00 0.85 H new ATOM 0 HB3 ASP A 102 -4.898 -7.055 -8.940 1.00 0.85 H new ATOM 1610 N LEU A 103 -2.154 -5.085 -8.260 1.00 0.68 N ATOM 1611 CA LEU A 103 -2.135 -3.624 -8.215 1.00 0.62 C ATOM 1612 C LEU A 103 -3.072 -3.090 -9.304 1.00 0.62 C ATOM 1613 O LEU A 103 -2.919 -3.427 -10.480 1.00 0.73 O ATOM 1614 CB LEU A 103 -0.694 -3.119 -8.414 1.00 0.67 C ATOM 1615 CG LEU A 103 0.304 -3.569 -7.326 1.00 0.78 C ATOM 1616 CD1 LEU A 103 1.732 -3.241 -7.780 1.00 1.13 C ATOM 1617 CD2 LEU A 103 0.022 -2.886 -5.976 1.00 1.07 C ATOM 0 H LEU A 103 -1.363 -5.479 -8.769 1.00 0.68 H new ATOM 0 HA LEU A 103 -2.482 -3.264 -7.246 1.00 0.62 H new ATOM 0 HB2 LEU A 103 -0.333 -3.464 -9.383 1.00 0.67 H new ATOM 0 HB3 LEU A 103 -0.707 -2.030 -8.448 1.00 0.67 H new ATOM 0 HG LEU A 103 0.189 -4.644 -7.186 1.00 0.78 H new ATOM 0 HD11 LEU A 103 2.439 -3.558 -7.013 1.00 1.13 H new ATOM 0 HD12 LEU A 103 1.947 -3.765 -8.711 1.00 1.13 H new ATOM 0 HD13 LEU A 103 1.826 -2.167 -7.938 1.00 1.13 H new ATOM 0 HD21 LEU A 103 0.746 -3.229 -5.237 1.00 1.07 H new ATOM 0 HD22 LEU A 103 0.105 -1.805 -6.091 1.00 1.07 H new ATOM 0 HD23 LEU A 103 -0.985 -3.139 -5.643 1.00 1.07 H new ATOM 1629 N LEU A 104 -4.042 -2.267 -8.902 1.00 0.54 N ATOM 1630 CA LEU A 104 -5.141 -1.794 -9.743 1.00 0.59 C ATOM 1631 C LEU A 104 -4.805 -0.408 -10.310 1.00 0.60 C ATOM 1632 O LEU A 104 -4.489 0.509 -9.547 1.00 0.49 O ATOM 1633 CB LEU A 104 -6.432 -1.733 -8.896 1.00 0.57 C ATOM 1634 CG LEU A 104 -6.805 -2.973 -8.069 1.00 0.58 C ATOM 1635 CD1 LEU A 104 -8.167 -2.756 -7.392 1.00 0.68 C ATOM 1636 CD2 LEU A 104 -6.840 -4.263 -8.896 1.00 0.66 C ATOM 0 H LEU A 104 -4.085 -1.900 -7.951 1.00 0.54 H new ATOM 0 HA LEU A 104 -5.290 -2.479 -10.577 1.00 0.59 H new ATOM 0 HB2 LEU A 104 -6.345 -0.888 -8.213 1.00 0.57 H new ATOM 0 HB3 LEU A 104 -7.263 -1.515 -9.567 1.00 0.57 H new ATOM 0 HG LEU A 104 -6.022 -3.098 -7.321 1.00 0.58 H new ATOM 0 HD11 LEU A 104 -8.427 -3.638 -6.807 1.00 0.68 H new ATOM 0 HD12 LEU A 104 -8.113 -1.888 -6.735 1.00 0.68 H new ATOM 0 HD13 LEU A 104 -8.929 -2.588 -8.153 1.00 0.68 H new ATOM 0 HD21 LEU A 104 -7.110 -5.100 -8.253 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -7.578 -4.165 -9.692 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -5.857 -4.442 -9.332 1.00 0.66 H new ATOM 1648 N PHE A 105 -4.890 -0.205 -11.626 1.00 0.72 N ATOM 1649 CA PHE A 105 -4.550 1.077 -12.253 1.00 0.77 C ATOM 1650 C PHE A 105 -5.781 1.806 -12.809 1.00 1.06 C ATOM 1651 O PHE A 105 -6.840 1.213 -12.994 1.00 1.85 O ATOM 1652 CB PHE A 105 -3.509 0.780 -13.333 1.00 1.07 C ATOM 1653 CG PHE A 105 -2.178 0.292 -12.780 1.00 1.11 C ATOM 1654 CD1 PHE A 105 -1.204 1.223 -12.371 1.00 1.69 C ATOM 1655 CD2 PHE A 105 -1.935 -1.085 -12.590 1.00 2.22 C ATOM 1656 CE1 PHE A 105 -0.024 0.796 -11.739 1.00 1.68 C ATOM 1657 CE2 PHE A 105 -0.740 -1.516 -11.984 1.00 2.34 C ATOM 1658 CZ PHE A 105 0.213 -0.576 -11.553 1.00 1.33 C ATOM 0 H PHE A 105 -5.195 -0.920 -12.286 1.00 0.72 H new ATOM 0 HA PHE A 105 -4.142 1.763 -11.511 1.00 0.77 H new ATOM 0 HB2 PHE A 105 -3.908 0.027 -14.013 1.00 1.07 H new ATOM 0 HB3 PHE A 105 -3.340 1.682 -13.920 1.00 1.07 H new ATOM 0 HD1 PHE A 105 -1.366 2.277 -12.545 1.00 1.69 H new ATOM 0 HD2 PHE A 105 -2.668 -1.810 -12.911 1.00 2.22 H new ATOM 0 HE1 PHE A 105 0.699 1.521 -11.397 1.00 1.68 H new ATOM 0 HE2 PHE A 105 -0.554 -2.571 -11.850 1.00 2.34 H new ATOM 0 HZ PHE A 105 1.125 -0.908 -11.080 1.00 1.33 H new ATOM 1668 N ALA A 106 -5.647 3.110 -13.078 1.00 0.70 N ATOM 1669 CA ALA A 106 -6.736 3.924 -13.623 1.00 0.92 C ATOM 1670 C ALA A 106 -7.087 3.505 -15.060 1.00 1.20 C ATOM 1671 O ALA A 106 -6.397 3.873 -16.013 1.00 1.73 O ATOM 1672 CB ALA A 106 -6.376 5.414 -13.525 1.00 1.69 C ATOM 0 H ALA A 106 -4.782 3.628 -12.924 1.00 0.70 H new ATOM 0 HA ALA A 106 -7.632 3.754 -13.026 1.00 0.92 H new ATOM 0 HB1 ALA A 106 -7.191 6.013 -13.932 1.00 1.69 H new ATOM 0 HB2 ALA A 106 -6.216 5.682 -12.481 1.00 1.69 H new ATOM 0 HB3 ALA A 106 -5.466 5.606 -14.093 1.00 1.69 H new ATOM 1678 N GLY A 107 -8.174 2.744 -15.204 1.00 1.79 N ATOM 1679 CA GLY A 107 -8.626 2.178 -16.473 1.00 2.48 C ATOM 1680 C GLY A 107 -8.187 0.724 -16.628 1.00 2.08 C ATOM 1681 O GLY A 107 -8.106 -0.023 -15.658 1.00 3.03 O ATOM 0 H GLY A 107 -8.779 2.499 -14.420 1.00 1.79 H new ATOM 0 HA2 GLY A 107 -9.713 2.239 -16.533 1.00 2.48 H new ATOM 0 HA3 GLY A 107 -8.228 2.769 -17.298 1.00 2.48 H new ATOM 1685 N GLY A 108 -7.949 0.304 -17.873 1.00 1.66 N ATOM 1686 CA GLY A 108 -7.798 -1.108 -18.255 1.00 1.47 C ATOM 1687 C GLY A 108 -6.428 -1.720 -17.957 1.00 1.31 C ATOM 1688 O GLY A 108 -5.811 -2.274 -18.862 1.00 1.65 O ATOM 0 H GLY A 108 -7.854 0.945 -18.661 1.00 1.66 H new ATOM 0 HA2 GLY A 108 -8.559 -1.691 -17.737 1.00 1.47 H new ATOM 0 HA3 GLY A 108 -7.996 -1.202 -19.323 1.00 1.47 H new ATOM 1692 N LYS A 109 -5.941 -1.655 -16.711 1.00 1.12 N ATOM 1693 CA LYS A 109 -4.712 -2.347 -16.305 1.00 1.07 C ATOM 1694 C LYS A 109 -4.780 -2.860 -14.860 1.00 0.98 C ATOM 1695 O LYS A 109 -5.146 -2.129 -13.946 1.00 0.96 O ATOM 1696 CB LYS A 109 -3.507 -1.406 -16.505 1.00 1.11 C ATOM 1697 CG LYS A 109 -2.217 -2.118 -16.928 1.00 1.44 C ATOM 1698 CD LYS A 109 -1.211 -1.177 -17.613 1.00 2.14 C ATOM 1699 CE LYS A 109 -0.845 0.049 -16.762 1.00 3.06 C ATOM 1700 NZ LYS A 109 0.077 0.960 -17.489 1.00 4.58 N ATOM 0 H LYS A 109 -6.385 -1.125 -15.961 1.00 1.12 H new ATOM 0 HA LYS A 109 -4.594 -3.228 -16.936 1.00 1.07 H new ATOM 0 HB2 LYS A 109 -3.762 -0.662 -17.260 1.00 1.11 H new ATOM 0 HB3 LYS A 109 -3.323 -0.867 -15.576 1.00 1.11 H new ATOM 0 HG2 LYS A 109 -1.750 -2.564 -16.050 1.00 1.44 H new ATOM 0 HG3 LYS A 109 -2.464 -2.934 -17.607 1.00 1.44 H new ATOM 0 HD2 LYS A 109 -0.303 -1.734 -17.844 1.00 2.14 H new ATOM 0 HD3 LYS A 109 -1.628 -0.840 -18.562 1.00 2.14 H new ATOM 0 HE2 LYS A 109 -1.752 0.589 -16.490 1.00 3.06 H new ATOM 0 HE3 LYS A 109 -0.378 -0.278 -15.833 1.00 3.06 H new ATOM 0 HZ1 LYS A 109 0.210 1.832 -16.937 1.00 4.58 H new ATOM 0 HZ2 LYS A 109 0.995 0.491 -17.622 1.00 4.58 H new ATOM 0 HZ3 LYS A 109 -0.329 1.196 -18.417 1.00 4.58 H new ATOM 1714 N VAL A 110 -4.316 -4.086 -14.658 1.00 1.05 N ATOM 1715 CA VAL A 110 -4.076 -4.702 -13.360 1.00 1.02 C ATOM 1716 C VAL A 110 -2.895 -5.658 -13.506 1.00 1.18 C ATOM 1717 O VAL A 110 -2.788 -6.350 -14.520 1.00 1.41 O ATOM 1718 CB VAL A 110 -5.357 -5.371 -12.822 1.00 1.07 C ATOM 1719 CG1 VAL A 110 -6.033 -6.322 -13.825 1.00 1.31 C ATOM 1720 CG2 VAL A 110 -5.103 -6.121 -11.512 1.00 1.06 C ATOM 0 H VAL A 110 -4.086 -4.708 -15.433 1.00 1.05 H new ATOM 0 HA VAL A 110 -3.816 -3.954 -12.611 1.00 1.02 H new ATOM 0 HB VAL A 110 -6.042 -4.542 -12.644 1.00 1.07 H new ATOM 0 HG11 VAL A 110 -6.926 -6.753 -13.373 1.00 1.31 H new ATOM 0 HG12 VAL A 110 -6.311 -5.768 -14.721 1.00 1.31 H new ATOM 0 HG13 VAL A 110 -5.341 -7.120 -14.093 1.00 1.31 H new ATOM 0 HG21 VAL A 110 -6.031 -6.577 -11.168 1.00 1.06 H new ATOM 0 HG22 VAL A 110 -4.356 -6.898 -11.676 1.00 1.06 H new ATOM 0 HG23 VAL A 110 -4.740 -5.423 -10.757 1.00 1.06 H new ATOM 1730 N LEU A 111 -1.966 -5.600 -12.550 1.00 1.09 N ATOM 1731 CA LEU A 111 -0.667 -6.269 -12.599 1.00 1.17 C ATOM 1732 C LEU A 111 -0.312 -6.742 -11.190 1.00 0.98 C ATOM 1733 O LEU A 111 -0.292 -5.932 -10.265 1.00 1.09 O ATOM 1734 CB LEU A 111 0.411 -5.281 -13.103 1.00 1.45 C ATOM 1735 CG LEU A 111 0.221 -4.719 -14.527 1.00 1.83 C ATOM 1736 CD1 LEU A 111 1.215 -3.579 -14.783 1.00 2.17 C ATOM 1737 CD2 LEU A 111 0.409 -5.804 -15.598 1.00 2.17 C ATOM 0 H LEU A 111 -2.103 -5.067 -11.691 1.00 1.09 H new ATOM 0 HA LEU A 111 -0.711 -7.119 -13.280 1.00 1.17 H new ATOM 0 HB2 LEU A 111 0.455 -4.442 -12.409 1.00 1.45 H new ATOM 0 HB3 LEU A 111 1.378 -5.781 -13.060 1.00 1.45 H new ATOM 0 HG LEU A 111 -0.800 -4.345 -14.594 1.00 1.83 H new ATOM 0 HD11 LEU A 111 1.071 -3.190 -15.791 1.00 2.17 H new ATOM 0 HD12 LEU A 111 1.048 -2.781 -14.059 1.00 2.17 H new ATOM 0 HD13 LEU A 111 2.233 -3.954 -14.681 1.00 2.17 H new ATOM 0 HD21 LEU A 111 0.267 -5.368 -16.587 1.00 2.17 H new ATOM 0 HD22 LEU A 111 1.415 -6.217 -15.525 1.00 2.17 H new ATOM 0 HD23 LEU A 111 -0.321 -6.598 -15.444 1.00 2.17 H new ATOM 1749 N LYS A 112 -0.025 -8.032 -11.002 1.00 0.95 N ATOM 1750 CA LYS A 112 0.297 -8.559 -9.673 1.00 1.00 C ATOM 1751 C LYS A 112 1.785 -8.520 -9.301 1.00 1.02 C ATOM 1752 O LYS A 112 2.668 -8.671 -10.142 1.00 1.31 O ATOM 1753 CB LYS A 112 -0.324 -9.948 -9.422 1.00 1.29 C ATOM 1754 CG LYS A 112 -0.182 -10.959 -10.571 1.00 1.72 C ATOM 1755 CD LYS A 112 -0.695 -12.360 -10.191 1.00 1.51 C ATOM 1756 CE LYS A 112 -2.091 -12.390 -9.548 1.00 2.04 C ATOM 1757 NZ LYS A 112 -3.131 -11.735 -10.375 1.00 3.69 N ATOM 0 H LYS A 112 -0.009 -8.728 -11.748 1.00 0.95 H new ATOM 0 HA LYS A 112 -0.177 -7.855 -8.989 1.00 1.00 H new ATOM 0 HB2 LYS A 112 0.133 -10.374 -8.529 1.00 1.29 H new ATOM 0 HB3 LYS A 112 -1.384 -9.818 -9.206 1.00 1.29 H new ATOM 0 HG2 LYS A 112 -0.733 -10.597 -11.439 1.00 1.72 H new ATOM 0 HG3 LYS A 112 0.866 -11.026 -10.864 1.00 1.72 H new ATOM 0 HD2 LYS A 112 -0.711 -12.980 -11.088 1.00 1.51 H new ATOM 0 HD3 LYS A 112 0.016 -12.816 -9.502 1.00 1.51 H new ATOM 0 HE2 LYS A 112 -2.379 -13.426 -9.368 1.00 2.04 H new ATOM 0 HE3 LYS A 112 -2.046 -11.898 -8.576 1.00 2.04 H new ATOM 0 HZ1 LYS A 112 -4.000 -11.622 -9.815 1.00 3.69 H new ATOM 0 HZ2 LYS A 112 -2.793 -10.801 -10.682 1.00 3.69 H new ATOM 0 HZ3 LYS A 112 -3.331 -12.322 -11.210 1.00 3.69 H new ATOM 1771 N VAL A 113 2.018 -8.394 -7.998 1.00 0.83 N ATOM 1772 CA VAL A 113 3.278 -8.651 -7.289 1.00 0.85 C ATOM 1773 C VAL A 113 3.043 -9.754 -6.239 1.00 0.88 C ATOM 1774 O VAL A 113 1.895 -10.111 -5.964 1.00 0.95 O ATOM 1775 CB VAL A 113 3.829 -7.362 -6.626 1.00 0.91 C ATOM 1776 CG1 VAL A 113 4.231 -6.321 -7.683 1.00 1.09 C ATOM 1777 CG2 VAL A 113 2.841 -6.731 -5.627 1.00 1.15 C ATOM 0 H VAL A 113 1.283 -8.088 -7.360 1.00 0.83 H new ATOM 0 HA VAL A 113 4.028 -8.984 -8.006 1.00 0.85 H new ATOM 0 HB VAL A 113 4.712 -7.669 -6.066 1.00 0.91 H new ATOM 0 HG11 VAL A 113 4.613 -5.429 -7.188 1.00 1.09 H new ATOM 0 HG12 VAL A 113 5.004 -6.738 -8.328 1.00 1.09 H new ATOM 0 HG13 VAL A 113 3.360 -6.058 -8.284 1.00 1.09 H new ATOM 0 HG21 VAL A 113 3.283 -5.833 -5.196 1.00 1.15 H new ATOM 0 HG22 VAL A 113 1.918 -6.469 -6.144 1.00 1.15 H new ATOM 0 HG23 VAL A 113 2.622 -7.444 -4.833 1.00 1.15 H new ATOM 1787 N VAL A 114 4.125 -10.279 -5.657 1.00 0.94 N ATOM 1788 CA VAL A 114 4.089 -11.167 -4.484 1.00 1.01 C ATOM 1789 C VAL A 114 4.885 -10.529 -3.342 1.00 1.05 C ATOM 1790 O VAL A 114 5.899 -9.880 -3.589 1.00 1.17 O ATOM 1791 CB VAL A 114 4.589 -12.590 -4.832 1.00 1.22 C ATOM 1792 CG1 VAL A 114 6.067 -12.638 -5.260 1.00 1.44 C ATOM 1793 CG2 VAL A 114 4.343 -13.575 -3.677 1.00 2.22 C ATOM 0 H VAL A 114 5.071 -10.097 -5.992 1.00 0.94 H new ATOM 0 HA VAL A 114 3.057 -11.287 -4.155 1.00 1.01 H new ATOM 0 HB VAL A 114 3.999 -12.896 -5.696 1.00 1.22 H new ATOM 0 HG11 VAL A 114 6.346 -13.667 -5.488 1.00 1.44 H new ATOM 0 HG12 VAL A 114 6.210 -12.018 -6.145 1.00 1.44 H new ATOM 0 HG13 VAL A 114 6.693 -12.263 -4.450 1.00 1.44 H new ATOM 0 HG21 VAL A 114 4.707 -14.563 -3.958 1.00 2.22 H new ATOM 0 HG22 VAL A 114 4.872 -13.233 -2.788 1.00 2.22 H new ATOM 0 HG23 VAL A 114 3.275 -13.628 -3.465 1.00 2.22 H new ATOM 1803 N LEU A 115 4.393 -10.676 -2.109 1.00 1.07 N ATOM 1804 CA LEU A 115 4.907 -10.047 -0.888 1.00 1.18 C ATOM 1805 C LEU A 115 5.043 -11.128 0.209 1.00 1.19 C ATOM 1806 O LEU A 115 4.068 -11.860 0.406 1.00 1.29 O ATOM 1807 CB LEU A 115 3.893 -8.974 -0.415 1.00 1.47 C ATOM 1808 CG LEU A 115 3.380 -7.959 -1.467 1.00 1.69 C ATOM 1809 CD1 LEU A 115 2.255 -7.115 -0.849 1.00 2.14 C ATOM 1810 CD2 LEU A 115 4.466 -7.017 -1.995 1.00 1.75 C ATOM 0 H LEU A 115 3.583 -11.268 -1.925 1.00 1.07 H new ATOM 0 HA LEU A 115 5.876 -9.586 -1.080 1.00 1.18 H new ATOM 0 HB2 LEU A 115 3.029 -9.490 0.004 1.00 1.47 H new ATOM 0 HB3 LEU A 115 4.353 -8.412 0.398 1.00 1.47 H new ATOM 0 HG LEU A 115 3.026 -8.545 -2.315 1.00 1.69 H new ATOM 0 HD11 LEU A 115 1.891 -6.399 -1.586 1.00 2.14 H new ATOM 0 HD12 LEU A 115 1.438 -7.767 -0.542 1.00 2.14 H new ATOM 0 HD13 LEU A 115 2.637 -6.579 0.020 1.00 2.14 H new ATOM 0 HD21 LEU A 115 4.032 -6.336 -2.727 1.00 1.75 H new ATOM 0 HD22 LEU A 115 4.884 -6.443 -1.168 1.00 1.75 H new ATOM 0 HD23 LEU A 115 5.256 -7.601 -2.467 1.00 1.75 H new ATOM 1822 N PRO A 116 6.161 -11.263 0.947 1.00 1.22 N ATOM 1823 CA PRO A 116 6.228 -12.131 2.119 1.00 1.29 C ATOM 1824 C PRO A 116 5.497 -11.507 3.310 1.00 1.20 C ATOM 1825 O PRO A 116 5.375 -10.286 3.423 1.00 1.16 O ATOM 1826 CB PRO A 116 7.719 -12.318 2.408 1.00 1.44 C ATOM 1827 CG PRO A 116 8.326 -11.007 1.917 1.00 1.40 C ATOM 1828 CD PRO A 116 7.465 -10.671 0.701 1.00 1.25 C ATOM 0 HA PRO A 116 5.738 -13.088 1.940 1.00 1.29 H new ATOM 0 HB2 PRO A 116 7.908 -12.479 3.469 1.00 1.44 H new ATOM 0 HB3 PRO A 116 8.129 -13.177 1.877 1.00 1.44 H new ATOM 0 HG2 PRO A 116 8.274 -10.227 2.677 1.00 1.40 H new ATOM 0 HG3 PRO A 116 9.376 -11.122 1.650 1.00 1.40 H new ATOM 0 HD2 PRO A 116 7.383 -9.592 0.569 1.00 1.25 H new ATOM 0 HD3 PRO A 116 7.908 -11.071 -0.211 1.00 1.25 H new ATOM 1836 N VAL A 117 5.046 -12.341 4.242 1.00 1.22 N ATOM 1837 CA VAL A 117 4.623 -11.919 5.568 1.00 1.14 C ATOM 1838 C VAL A 117 5.860 -11.873 6.472 1.00 1.29 C ATOM 1839 O VAL A 117 6.553 -12.879 6.633 1.00 1.54 O ATOM 1840 CB VAL A 117 3.522 -12.830 6.144 1.00 1.10 C ATOM 1841 CG1 VAL A 117 3.156 -12.370 7.551 1.00 1.04 C ATOM 1842 CG2 VAL A 117 2.230 -12.786 5.310 1.00 1.11 C ATOM 0 H VAL A 117 4.964 -13.346 4.092 1.00 1.22 H new ATOM 0 HA VAL A 117 4.176 -10.927 5.508 1.00 1.14 H new ATOM 0 HB VAL A 117 3.924 -13.843 6.137 1.00 1.10 H new ATOM 0 HG11 VAL A 117 2.377 -13.017 7.954 1.00 1.04 H new ATOM 0 HG12 VAL A 117 4.037 -12.420 8.191 1.00 1.04 H new ATOM 0 HG13 VAL A 117 2.792 -11.343 7.515 1.00 1.04 H new ATOM 0 HG21 VAL A 117 1.486 -13.445 5.757 1.00 1.11 H new ATOM 0 HG22 VAL A 117 1.846 -11.766 5.288 1.00 1.11 H new ATOM 0 HG23 VAL A 117 2.442 -13.116 4.293 1.00 1.11 H new ATOM 1852 N GLU A 118 6.124 -10.714 7.078 1.00 1.27 N ATOM 1853 CA GLU A 118 7.289 -10.457 7.933 1.00 1.54 C ATOM 1854 C GLU A 118 6.845 -9.964 9.318 1.00 1.79 C ATOM 1855 O GLU A 118 5.717 -9.509 9.502 1.00 1.79 O ATOM 1856 CB GLU A 118 8.262 -9.454 7.272 1.00 1.57 C ATOM 1857 CG GLU A 118 9.729 -9.884 7.457 1.00 2.14 C ATOM 1858 CD GLU A 118 10.698 -8.709 7.608 1.00 2.49 C ATOM 1859 OE1 GLU A 118 10.790 -7.836 6.721 1.00 3.37 O ATOM 1860 OE2 GLU A 118 11.343 -8.616 8.672 1.00 3.07 O ATOM 0 H GLU A 118 5.515 -9.901 6.986 1.00 1.27 H new ATOM 0 HA GLU A 118 7.825 -11.397 8.061 1.00 1.54 H new ATOM 0 HB2 GLU A 118 8.037 -9.374 6.209 1.00 1.57 H new ATOM 0 HB3 GLU A 118 8.115 -8.464 7.704 1.00 1.57 H new ATOM 0 HG2 GLU A 118 9.804 -10.521 8.338 1.00 2.14 H new ATOM 0 HG3 GLU A 118 10.033 -10.487 6.601 1.00 2.14 H new ATOM 1867 N ALA A 119 7.725 -10.076 10.316 1.00 2.24 N ATOM 1868 CA ALA A 119 7.386 -9.874 11.726 1.00 2.65 C ATOM 1869 C ALA A 119 7.378 -8.392 12.159 1.00 2.45 C ATOM 1870 O ALA A 119 8.023 -8.022 13.140 1.00 2.68 O ATOM 1871 CB ALA A 119 8.291 -10.782 12.569 1.00 3.17 C ATOM 0 H ALA A 119 8.706 -10.313 10.165 1.00 2.24 H new ATOM 0 HA ALA A 119 6.350 -10.166 11.895 1.00 2.65 H new ATOM 0 HB1 ALA A 119 8.057 -10.649 13.625 1.00 3.17 H new ATOM 0 HB2 ALA A 119 8.125 -11.822 12.289 1.00 3.17 H new ATOM 0 HB3 ALA A 119 9.334 -10.520 12.393 1.00 3.17 H new ATOM 1877 N ARG A 120 6.654 -7.547 11.409 1.00 2.37 N ATOM 1878 CA ARG A 120 6.599 -6.081 11.557 1.00 2.27 C ATOM 1879 C ARG A 120 5.380 -5.472 10.862 1.00 2.78 C ATOM 1880 O ARG A 120 4.588 -4.820 11.572 1.00 2.84 O ATOM 1881 CB ARG A 120 7.939 -5.463 11.099 1.00 2.49 C ATOM 1882 CG ARG A 120 8.210 -5.641 9.594 1.00 2.95 C ATOM 1883 CD ARG A 120 9.635 -6.064 9.245 1.00 3.68 C ATOM 1884 NE ARG A 120 10.659 -5.071 9.600 1.00 3.58 N ATOM 1885 CZ ARG A 120 11.915 -5.127 9.202 1.00 4.49 C ATOM 1886 NH1 ARG A 120 12.384 -6.050 8.414 1.00 5.39 N ATOM 1887 NH2 ARG A 120 12.748 -4.205 9.591 1.00 5.12 N ATOM 1888 OXT ARG A 120 5.233 -5.683 9.639 1.00 3.77 O ATOM 0 H ARG A 120 6.063 -7.881 10.647 1.00 2.37 H new ATOM 0 HA ARG A 120 6.466 -5.838 12.611 1.00 2.27 H new ATOM 0 HB2 ARG A 120 7.941 -4.400 11.338 1.00 2.49 H new ATOM 0 HB3 ARG A 120 8.753 -5.918 11.664 1.00 2.49 H new ATOM 0 HG2 ARG A 120 7.518 -6.386 9.200 1.00 2.95 H new ATOM 0 HG3 ARG A 120 7.990 -4.702 9.086 1.00 2.95 H new ATOM 0 HD2 ARG A 120 9.860 -7.001 9.755 1.00 3.68 H new ATOM 0 HD3 ARG A 120 9.692 -6.262 8.175 1.00 3.68 H new ATOM 0 HE ARG A 120 10.380 -4.289 10.192 1.00 3.58 H new ATOM 0 HH11 ARG A 120 11.769 -6.786 8.068 1.00 5.39 H new ATOM 0 HH12 ARG A 120 13.367 -6.037 8.142 1.00 5.39 H new ATOM 0 HH21 ARG A 120 12.427 -3.450 10.197 1.00 5.12 H new ATOM 0 HH22 ARG A 120 13.722 -4.238 9.290 1.00 5.12 H new