USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 938 hydrogens (27 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 98 MET CE :methyl 176:sc= 0 (180deg=0) USER MOD Set 1.2: A 113 MET CE :methyl -150:sc= 0 (180deg=0) USER MOD Set 2.1: A 56 THR OG1 : rot 140:sc= 0.0908 USER MOD Set 2.2: A 59 GLN : amide:sc= -0.844 K(o=-0.75,f=-1.5!) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -37:sc= 0.0575 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.3 X(o=-0.3,f=-0.087) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.88 K(o=-0.88,f=0.036) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.46 X(o=-3.5,f=-3.7!) USER MOD Single : A 45 SER OG : rot 140:sc= -0.416 USER MOD Single : A 46 THR OG1 : rot 54:sc= 0.862 USER MOD Single : A 65 CYS SG : rot 180:sc=-0.00488 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 130:sc= -0.317 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 81:sc= 1.14 USER MOD Single : A 88 LYS NZ :NH3+ -149:sc= -0.528 (180deg=-1.79) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot 59:sc= 0.0344 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -150:sc= 0.178 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= -1.77 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.397 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 7.847 12.937 0.073 1.00 11.13 N ATOM 2 CA GLY A 2 7.589 14.283 -0.406 1.00 13.14 C ATOM 3 C GLY A 2 6.988 15.174 0.664 1.00 35.42 C ATOM 4 O GLY A 2 7.665 16.047 1.206 1.00 71.42 O ATOM 0 HA2 GLY A 2 8.521 14.724 -0.761 1.00 13.14 H new ATOM 0 HA3 GLY A 2 6.912 14.238 -1.259 1.00 13.14 H new ATOM 8 N ASN A 3 5.713 14.953 0.968 1.00 25.45 N ATOM 9 CA ASN A 3 5.021 15.744 1.978 1.00 31.10 C ATOM 10 C ASN A 3 5.253 15.170 3.372 1.00 60.02 C ATOM 11 O ASN A 3 5.250 15.898 4.364 1.00 42.24 O ATOM 12 CB ASN A 3 3.522 15.793 1.677 1.00 54.44 C ATOM 13 CG ASN A 3 2.993 17.213 1.598 1.00 34.14 C ATOM 14 OD1 ASN A 3 2.240 17.656 2.465 1.00 53.22 O ATOM 15 ND2 ASN A 3 3.387 17.932 0.555 1.00 25.13 N ATOM 0 H ASN A 3 5.139 14.233 0.529 1.00 25.45 H new ATOM 0 HA ASN A 3 5.424 16.756 1.950 1.00 31.10 H new ATOM 0 HB2 ASN A 3 3.327 15.283 0.734 1.00 54.44 H new ATOM 0 HB3 ASN A 3 2.981 15.249 2.451 1.00 54.44 H new ATOM 0 HD21 ASN A 3 3.065 18.894 0.448 1.00 25.13 H new ATOM 0 HD22 ASN A 3 4.012 17.523 -0.139 1.00 25.13 H new ATOM 22 N GLY A 4 5.455 13.857 3.440 1.00 2.12 N ATOM 23 CA GLY A 4 5.688 13.208 4.717 1.00 61.23 C ATOM 24 C GLY A 4 4.499 12.385 5.172 1.00 14.44 C ATOM 25 O GLY A 4 4.653 11.233 5.579 1.00 44.24 O ATOM 0 H GLY A 4 5.461 13.232 2.634 1.00 2.12 H new ATOM 0 HA2 GLY A 4 6.564 12.564 4.640 1.00 61.23 H new ATOM 0 HA3 GLY A 4 5.913 13.963 5.470 1.00 61.23 H new ATOM 29 N GLN A 5 3.311 12.978 5.107 1.00 62.31 N ATOM 30 CA GLN A 5 2.092 12.292 5.519 1.00 55.31 C ATOM 31 C GLN A 5 0.875 12.866 4.802 1.00 11.31 C ATOM 32 O GLN A 5 0.984 13.836 4.054 1.00 44.32 O ATOM 33 CB GLN A 5 1.906 12.403 7.033 1.00 34.05 C ATOM 34 CG GLN A 5 1.667 13.824 7.514 1.00 42.32 C ATOM 35 CD GLN A 5 2.267 14.088 8.881 1.00 73.45 C ATOM 36 OE1 GLN A 5 3.488 14.093 9.045 1.00 41.44 O ATOM 37 NE2 GLN A 5 1.411 14.307 9.872 1.00 72.34 N ATOM 0 H GLN A 5 3.167 13.931 4.773 1.00 62.31 H new ATOM 0 HA GLN A 5 2.188 11.241 5.248 1.00 55.31 H new ATOM 0 HB2 GLN A 5 1.064 11.780 7.334 1.00 34.05 H new ATOM 0 HB3 GLN A 5 2.791 12.004 7.530 1.00 34.05 H new ATOM 0 HG2 GLN A 5 2.092 14.523 6.794 1.00 42.32 H new ATOM 0 HG3 GLN A 5 0.595 14.016 7.549 1.00 42.32 H new ATOM 0 HE21 GLN A 5 0.407 14.294 9.691 1.00 72.34 H new ATOM 0 HE22 GLN A 5 1.757 14.489 10.814 1.00 72.34 H new ATOM 46 N GLY A 6 -0.286 12.261 5.037 1.00 24.44 N ATOM 47 CA GLY A 6 -1.506 12.726 4.405 1.00 63.21 C ATOM 48 C GLY A 6 -2.750 12.145 5.049 1.00 64.40 C ATOM 49 O GLY A 6 -2.663 11.429 6.047 1.00 64.12 O ATOM 0 H GLY A 6 -0.403 11.457 5.654 1.00 24.44 H new ATOM 0 HA2 GLY A 6 -1.547 13.814 4.458 1.00 63.21 H new ATOM 0 HA3 GLY A 6 -1.489 12.459 3.348 1.00 63.21 H new ATOM 53 N ARG A 7 -3.909 12.454 4.478 1.00 11.32 N ATOM 54 CA ARG A 7 -5.176 11.961 5.005 1.00 72.32 C ATOM 55 C ARG A 7 -5.327 10.465 4.743 1.00 72.50 C ATOM 56 O ARG A 7 -5.473 9.674 5.675 1.00 51.01 O ATOM 57 CB ARG A 7 -6.345 12.720 4.375 1.00 24.52 C ATOM 58 CG ARG A 7 -6.417 14.180 4.790 1.00 64.31 C ATOM 59 CD ARG A 7 -7.831 14.579 5.182 1.00 30.01 C ATOM 60 NE ARG A 7 -8.207 15.878 4.632 1.00 1.14 N ATOM 61 CZ ARG A 7 -9.275 16.562 5.025 1.00 61.14 C ATOM 62 NH1 ARG A 7 -10.070 16.072 5.966 1.00 42.34 N ATOM 63 NH2 ARG A 7 -9.550 17.738 4.475 1.00 55.11 N ATOM 0 H ARG A 7 -3.997 13.043 3.650 1.00 11.32 H new ATOM 0 HA ARG A 7 -5.183 12.127 6.082 1.00 72.32 H new ATOM 0 HB2 ARG A 7 -6.261 12.663 3.290 1.00 24.52 H new ATOM 0 HB3 ARG A 7 -7.278 12.227 4.649 1.00 24.52 H new ATOM 0 HG2 ARG A 7 -5.743 14.355 5.629 1.00 64.31 H new ATOM 0 HG3 ARG A 7 -6.074 14.810 3.969 1.00 64.31 H new ATOM 0 HD2 ARG A 7 -8.531 13.821 4.832 1.00 30.01 H new ATOM 0 HD3 ARG A 7 -7.911 14.609 6.269 1.00 30.01 H new ATOM 0 HE ARG A 7 -7.616 16.283 3.905 1.00 1.14 H new ATOM 0 HH11 ARG A 7 -9.862 15.168 6.390 1.00 42.34 H new ATOM 0 HH12 ARG A 7 -10.890 16.599 6.266 1.00 42.34 H new ATOM 0 HH21 ARG A 7 -8.941 18.117 3.750 1.00 55.11 H new ATOM 0 HH22 ARG A 7 -10.371 18.263 4.777 1.00 55.11 H new ATOM 77 N ASP A 8 -5.291 10.085 3.471 1.00 13.01 N ATOM 78 CA ASP A 8 -5.423 8.685 3.087 1.00 70.01 C ATOM 79 C ASP A 8 -4.329 7.839 3.730 1.00 24.32 C ATOM 80 O ASP A 8 -4.497 6.636 3.929 1.00 72.31 O ATOM 81 CB ASP A 8 -5.366 8.543 1.565 1.00 50.42 C ATOM 82 CG ASP A 8 -6.404 9.398 0.865 1.00 45.31 C ATOM 83 OD1 ASP A 8 -7.604 9.252 1.179 1.00 34.04 O ATOM 84 OD2 ASP A 8 -6.016 10.214 0.002 1.00 54.45 O ATOM 0 H ASP A 8 -5.171 10.727 2.688 1.00 13.01 H new ATOM 0 HA ASP A 8 -6.390 8.327 3.442 1.00 70.01 H new ATOM 0 HB2 ASP A 8 -4.373 8.822 1.214 1.00 50.42 H new ATOM 0 HB3 ASP A 8 -5.518 7.498 1.294 1.00 50.42 H new ATOM 89 N TRP A 9 -3.209 8.476 4.052 1.00 4.13 N ATOM 90 CA TRP A 9 -2.086 7.782 4.671 1.00 15.01 C ATOM 91 C TRP A 9 -2.407 7.407 6.114 1.00 34.02 C ATOM 92 O TRP A 9 -2.459 6.228 6.464 1.00 21.53 O ATOM 93 CB TRP A 9 -0.831 8.655 4.626 1.00 65.24 C ATOM 94 CG TRP A 9 0.330 8.066 5.367 1.00 34.04 C ATOM 95 CD1 TRP A 9 0.974 8.606 6.444 1.00 23.04 C ATOM 96 CD2 TRP A 9 0.987 6.825 5.086 1.00 52.33 C ATOM 97 NE1 TRP A 9 1.992 7.775 6.848 1.00 72.14 N ATOM 98 CE2 TRP A 9 2.019 6.675 6.032 1.00 3.14 C ATOM 99 CE3 TRP A 9 0.800 5.825 4.128 1.00 33.50 C ATOM 100 CZ2 TRP A 9 2.861 5.567 6.045 1.00 34.22 C ATOM 101 CZ3 TRP A 9 1.637 4.725 4.143 1.00 23.10 C ATOM 102 CH2 TRP A 9 2.657 4.603 5.096 1.00 32.42 C ATOM 0 H TRP A 9 -3.054 9.472 3.895 1.00 4.13 H new ATOM 0 HA TRP A 9 -1.903 6.867 4.108 1.00 15.01 H new ATOM 0 HB2 TRP A 9 -0.546 8.815 3.586 1.00 65.24 H new ATOM 0 HB3 TRP A 9 -1.063 9.633 5.047 1.00 65.24 H new ATOM 0 HD1 TRP A 9 0.721 9.547 6.909 1.00 23.04 H new ATOM 0 HE1 TRP A 9 2.625 7.949 7.629 1.00 72.14 H new ATOM 0 HE3 TRP A 9 0.016 5.910 3.390 1.00 33.50 H new ATOM 0 HZ2 TRP A 9 3.648 5.472 6.779 1.00 34.22 H new ATOM 0 HZ3 TRP A 9 1.502 3.946 3.407 1.00 23.10 H new ATOM 0 HH2 TRP A 9 3.294 3.731 5.081 1.00 32.42 H new ATOM 113 N LYS A 10 -2.623 8.417 6.950 1.00 4.42 N ATOM 114 CA LYS A 10 -2.940 8.195 8.355 1.00 53.14 C ATOM 115 C LYS A 10 -4.266 7.456 8.502 1.00 54.04 C ATOM 116 O LYS A 10 -4.453 6.676 9.436 1.00 53.03 O ATOM 117 CB LYS A 10 -3.001 9.529 9.103 1.00 75.24 C ATOM 118 CG LYS A 10 -2.879 9.387 10.611 1.00 64.31 C ATOM 119 CD LYS A 10 -2.632 10.729 11.278 1.00 42.21 C ATOM 120 CE LYS A 10 -3.454 10.879 12.549 1.00 10.01 C ATOM 121 NZ LYS A 10 -4.832 11.368 12.263 1.00 32.51 N ATOM 0 H LYS A 10 -2.584 9.399 6.678 1.00 4.42 H new ATOM 0 HA LYS A 10 -2.151 7.580 8.787 1.00 53.14 H new ATOM 0 HB2 LYS A 10 -2.201 10.176 8.741 1.00 75.24 H new ATOM 0 HB3 LYS A 10 -3.943 10.025 8.868 1.00 75.24 H new ATOM 0 HG2 LYS A 10 -3.791 8.943 11.011 1.00 64.31 H new ATOM 0 HG3 LYS A 10 -2.062 8.706 10.848 1.00 64.31 H new ATOM 0 HD2 LYS A 10 -1.573 10.830 11.514 1.00 42.21 H new ATOM 0 HD3 LYS A 10 -2.882 11.532 10.585 1.00 42.21 H new ATOM 0 HE2 LYS A 10 -3.508 9.919 13.062 1.00 10.01 H new ATOM 0 HE3 LYS A 10 -2.955 11.574 13.225 1.00 10.01 H new ATOM 0 HZ1 LYS A 10 -5.361 11.457 13.154 1.00 32.51 H new ATOM 0 HZ2 LYS A 10 -4.781 12.296 11.796 1.00 32.51 H new ATOM 0 HZ3 LYS A 10 -5.317 10.693 11.639 1.00 32.51 H new ATOM 135 N MET A 11 -5.185 7.706 7.574 1.00 70.00 N ATOM 136 CA MET A 11 -6.492 7.061 7.600 1.00 41.43 C ATOM 137 C MET A 11 -6.368 5.566 7.328 1.00 24.24 C ATOM 138 O MET A 11 -7.013 4.750 7.984 1.00 11.13 O ATOM 139 CB MET A 11 -7.422 7.704 6.568 1.00 15.22 C ATOM 140 CG MET A 11 -7.980 9.048 7.008 1.00 50.41 C ATOM 141 SD MET A 11 -9.685 8.937 7.585 1.00 5.41 S ATOM 142 CE MET A 11 -10.165 10.662 7.555 1.00 54.53 C ATOM 0 H MET A 11 -5.048 8.350 6.795 1.00 70.00 H new ATOM 0 HA MET A 11 -6.916 7.196 8.595 1.00 41.43 H new ATOM 0 HB2 MET A 11 -6.878 7.834 5.632 1.00 15.22 H new ATOM 0 HB3 MET A 11 -8.250 7.025 6.364 1.00 15.22 H new ATOM 0 HG2 MET A 11 -7.356 9.453 7.805 1.00 50.41 H new ATOM 0 HG3 MET A 11 -7.927 9.749 6.175 1.00 50.41 H new ATOM 0 HE1 MET A 11 -11.199 10.758 7.887 1.00 54.53 H new ATOM 0 HE2 MET A 11 -9.516 11.232 8.220 1.00 54.53 H new ATOM 0 HE3 MET A 11 -10.073 11.048 6.540 1.00 54.53 H new ATOM 152 N ALA A 12 -5.534 5.215 6.355 1.00 21.32 N ATOM 153 CA ALA A 12 -5.323 3.817 5.997 1.00 4.40 C ATOM 154 C ALA A 12 -4.718 3.038 7.159 1.00 32.31 C ATOM 155 O ALA A 12 -5.184 1.950 7.499 1.00 63.23 O ATOM 156 CB ALA A 12 -4.431 3.716 4.768 1.00 10.01 C ATOM 0 H ALA A 12 -4.993 5.879 5.800 1.00 21.32 H new ATOM 0 HA ALA A 12 -6.293 3.376 5.765 1.00 4.40 H new ATOM 0 HB1 ALA A 12 -4.282 2.667 4.512 1.00 10.01 H new ATOM 0 HB2 ALA A 12 -4.905 4.230 3.932 1.00 10.01 H new ATOM 0 HB3 ALA A 12 -3.467 4.179 4.979 1.00 10.01 H new ATOM 162 N ILE A 13 -3.677 3.600 7.763 1.00 11.31 N ATOM 163 CA ILE A 13 -3.008 2.958 8.888 1.00 55.23 C ATOM 164 C ILE A 13 -3.984 2.696 10.031 1.00 5.03 C ATOM 165 O ILE A 13 -3.994 1.614 10.618 1.00 1.12 O ATOM 166 CB ILE A 13 -1.839 3.812 9.411 1.00 1.43 C ATOM 167 CG1 ILE A 13 -0.814 4.049 8.300 1.00 42.05 C ATOM 168 CG2 ILE A 13 -1.184 3.139 10.608 1.00 51.04 C ATOM 169 CD1 ILE A 13 -0.135 2.783 7.824 1.00 12.24 C ATOM 0 H ILE A 13 -3.278 4.499 7.492 1.00 11.31 H new ATOM 0 HA ILE A 13 -2.617 2.009 8.522 1.00 55.23 H new ATOM 0 HB ILE A 13 -2.230 4.778 9.731 1.00 1.43 H new ATOM 0 HG12 ILE A 13 -1.310 4.525 7.455 1.00 42.05 H new ATOM 0 HG13 ILE A 13 -0.056 4.745 8.659 1.00 42.05 H new ATOM 0 HG21 ILE A 13 -0.359 3.755 10.966 1.00 51.04 H new ATOM 0 HG22 ILE A 13 -1.918 3.018 11.404 1.00 51.04 H new ATOM 0 HG23 ILE A 13 -0.804 2.161 10.313 1.00 51.04 H new ATOM 0 HD11 ILE A 13 0.578 3.027 7.037 1.00 12.24 H new ATOM 0 HD12 ILE A 13 0.390 2.316 8.657 1.00 12.24 H new ATOM 0 HD13 ILE A 13 -0.884 2.093 7.435 1.00 12.24 H new ATOM 181 N LYS A 14 -4.804 3.694 10.341 1.00 21.22 N ATOM 182 CA LYS A 14 -5.786 3.573 11.411 1.00 11.42 C ATOM 183 C LYS A 14 -6.842 2.529 11.065 1.00 50.23 C ATOM 184 O LYS A 14 -7.204 1.698 11.898 1.00 21.44 O ATOM 185 CB LYS A 14 -6.456 4.924 11.672 1.00 11.23 C ATOM 186 CG LYS A 14 -6.970 5.084 13.092 1.00 55.22 C ATOM 187 CD LYS A 14 -7.504 6.485 13.339 1.00 4.41 C ATOM 188 CE LYS A 14 -8.665 6.475 14.321 1.00 42.54 C ATOM 189 NZ LYS A 14 -9.965 6.222 13.640 1.00 74.43 N ATOM 0 H LYS A 14 -4.808 4.596 9.866 1.00 21.22 H new ATOM 0 HA LYS A 14 -5.265 3.252 12.313 1.00 11.42 H new ATOM 0 HB2 LYS A 14 -5.743 5.721 11.461 1.00 11.23 H new ATOM 0 HB3 LYS A 14 -7.287 5.048 10.978 1.00 11.23 H new ATOM 0 HG2 LYS A 14 -7.759 4.355 13.278 1.00 55.22 H new ATOM 0 HG3 LYS A 14 -6.166 4.871 13.797 1.00 55.22 H new ATOM 0 HD2 LYS A 14 -6.705 7.117 13.726 1.00 4.41 H new ATOM 0 HD3 LYS A 14 -7.828 6.923 12.395 1.00 4.41 H new ATOM 0 HE2 LYS A 14 -8.495 5.708 15.076 1.00 42.54 H new ATOM 0 HE3 LYS A 14 -8.708 7.431 14.842 1.00 42.54 H new ATOM 0 HZ1 LYS A 14 -10.731 6.223 14.343 1.00 74.43 H new ATOM 0 HZ2 LYS A 14 -10.140 6.968 12.937 1.00 74.43 H new ATOM 0 HZ3 LYS A 14 -9.933 5.298 13.164 1.00 74.43 H new ATOM 203 N ARG A 15 -7.334 2.578 9.832 1.00 65.31 N ATOM 204 CA ARG A 15 -8.348 1.636 9.375 1.00 73.12 C ATOM 205 C ARG A 15 -7.829 0.202 9.444 1.00 53.24 C ATOM 206 O ARG A 15 -8.471 -0.673 10.027 1.00 1.23 O ATOM 207 CB ARG A 15 -8.776 1.966 7.944 1.00 25.22 C ATOM 208 CG ARG A 15 -9.537 3.276 7.822 1.00 5.34 C ATOM 209 CD ARG A 15 -11.036 3.062 7.944 1.00 55.24 C ATOM 210 NE ARG A 15 -11.661 4.051 8.818 1.00 42.44 N ATOM 211 CZ ARG A 15 -12.975 4.231 8.904 1.00 4.20 C ATOM 212 NH1 ARG A 15 -13.797 3.492 8.173 1.00 73.45 N ATOM 213 NH2 ARG A 15 -13.468 5.152 9.722 1.00 51.44 N ATOM 0 H ARG A 15 -7.047 3.261 9.131 1.00 65.31 H new ATOM 0 HA ARG A 15 -9.212 1.724 10.034 1.00 73.12 H new ATOM 0 HB2 ARG A 15 -7.890 2.010 7.310 1.00 25.22 H new ATOM 0 HB3 ARG A 15 -9.400 1.157 7.565 1.00 25.22 H new ATOM 0 HG2 ARG A 15 -9.203 3.966 8.597 1.00 5.34 H new ATOM 0 HG3 ARG A 15 -9.312 3.741 6.862 1.00 5.34 H new ATOM 0 HD2 ARG A 15 -11.491 3.113 6.955 1.00 55.24 H new ATOM 0 HD3 ARG A 15 -11.229 2.062 8.332 1.00 55.24 H new ATOM 0 HE ARG A 15 -11.056 4.636 9.394 1.00 42.44 H new ATOM 0 HH11 ARG A 15 -13.422 2.783 7.543 1.00 73.45 H new ATOM 0 HH12 ARG A 15 -14.805 3.632 8.241 1.00 73.45 H new ATOM 0 HH21 ARG A 15 -12.838 5.723 10.286 1.00 51.44 H new ATOM 0 HH22 ARG A 15 -14.477 5.289 9.787 1.00 51.44 H new ATOM 227 N CYS A 16 -6.667 -0.030 8.845 1.00 74.44 N ATOM 228 CA CYS A 16 -6.063 -1.358 8.837 1.00 15.23 C ATOM 229 C CYS A 16 -5.720 -1.807 10.254 1.00 22.11 C ATOM 230 O CYS A 16 -5.654 -3.003 10.538 1.00 22.11 O ATOM 231 CB CYS A 16 -4.805 -1.364 7.968 1.00 13.44 C ATOM 232 SG CYS A 16 -4.157 -3.015 7.617 1.00 41.04 S ATOM 0 H CYS A 16 -6.124 0.683 8.359 1.00 74.44 H new ATOM 0 HA CYS A 16 -6.787 -2.057 8.419 1.00 15.23 H new ATOM 0 HB2 CYS A 16 -5.026 -0.864 7.025 1.00 13.44 H new ATOM 0 HB3 CYS A 16 -4.031 -0.780 8.465 1.00 13.44 H new ATOM 0 HG CYS A 16 -4.304 -3.771 8.665 1.00 41.04 H new ATOM 238 N SER A 17 -5.499 -0.840 11.139 1.00 14.30 N ATOM 239 CA SER A 17 -5.157 -1.136 12.525 1.00 54.23 C ATOM 240 C SER A 17 -6.221 -2.016 13.172 1.00 50.25 C ATOM 241 O SER A 17 -5.946 -2.743 14.126 1.00 51.55 O ATOM 242 CB SER A 17 -4.999 0.161 13.322 1.00 21.21 C ATOM 243 OG SER A 17 -4.361 -0.078 14.564 1.00 74.11 O ATOM 0 H SER A 17 -5.551 0.155 10.921 1.00 14.30 H new ATOM 0 HA SER A 17 -4.210 -1.676 12.531 1.00 54.23 H new ATOM 0 HB2 SER A 17 -4.418 0.879 12.743 1.00 21.21 H new ATOM 0 HB3 SER A 17 -5.978 0.608 13.493 1.00 21.21 H new ATOM 0 HG SER A 17 -4.271 0.766 15.053 1.00 74.11 H new ATOM 249 N ASN A 18 -7.440 -1.945 12.645 1.00 62.10 N ATOM 250 CA ASN A 18 -8.548 -2.734 13.170 1.00 72.11 C ATOM 251 C ASN A 18 -8.725 -4.022 12.372 1.00 62.43 C ATOM 252 O ASN A 18 -9.826 -4.565 12.285 1.00 23.21 O ATOM 253 CB ASN A 18 -9.842 -1.920 13.139 1.00 53.54 C ATOM 254 CG ASN A 18 -10.880 -2.444 14.112 1.00 74.30 C ATOM 255 OD1 ASN A 18 -12.014 -2.734 13.731 1.00 21.01 O ATOM 256 ND2 ASN A 18 -10.495 -2.570 15.377 1.00 12.02 N ATOM 0 H ASN A 18 -7.685 -1.349 11.854 1.00 62.10 H new ATOM 0 HA ASN A 18 -8.317 -2.996 14.202 1.00 72.11 H new ATOM 0 HB2 ASN A 18 -9.619 -0.880 13.376 1.00 53.54 H new ATOM 0 HB3 ASN A 18 -10.254 -1.936 12.130 1.00 53.54 H new ATOM 0 HD21 ASN A 18 -11.150 -2.919 16.077 1.00 12.02 H new ATOM 0 HD22 ASN A 18 -9.545 -2.318 15.648 1.00 12.02 H new ATOM 263 N VAL A 19 -7.632 -4.506 11.789 1.00 54.43 N ATOM 264 CA VAL A 19 -7.665 -5.731 10.999 1.00 55.13 C ATOM 265 C VAL A 19 -6.811 -6.820 11.637 1.00 34.10 C ATOM 266 O VAL A 19 -5.657 -6.588 11.994 1.00 31.34 O ATOM 267 CB VAL A 19 -7.173 -5.484 9.561 1.00 64.22 C ATOM 268 CG1 VAL A 19 -7.322 -6.744 8.722 1.00 21.31 C ATOM 269 CG2 VAL A 19 -7.928 -4.322 8.931 1.00 72.22 C ATOM 0 H VAL A 19 -6.713 -4.068 11.849 1.00 54.43 H new ATOM 0 HA VAL A 19 -8.704 -6.060 10.968 1.00 55.13 H new ATOM 0 HB VAL A 19 -6.115 -5.223 9.598 1.00 64.22 H new ATOM 0 HG11 VAL A 19 -6.969 -6.550 7.709 1.00 21.31 H new ATOM 0 HG12 VAL A 19 -6.733 -7.547 9.164 1.00 21.31 H new ATOM 0 HG13 VAL A 19 -8.371 -7.038 8.691 1.00 21.31 H new ATOM 0 HG21 VAL A 19 -7.567 -4.162 7.915 1.00 72.22 H new ATOM 0 HG22 VAL A 19 -8.993 -4.551 8.906 1.00 72.22 H new ATOM 0 HG23 VAL A 19 -7.765 -3.420 9.520 1.00 72.22 H new ATOM 279 N ALA A 20 -7.387 -8.010 11.777 1.00 12.44 N ATOM 280 CA ALA A 20 -6.678 -9.137 12.370 1.00 5.32 C ATOM 281 C ALA A 20 -5.920 -9.928 11.309 1.00 60.33 C ATOM 282 O ALA A 20 -6.522 -10.631 10.498 1.00 63.03 O ATOM 283 CB ALA A 20 -7.649 -10.041 13.112 1.00 52.33 C ATOM 0 H ALA A 20 -8.343 -8.218 11.488 1.00 12.44 H new ATOM 0 HA ALA A 20 -5.951 -8.744 13.081 1.00 5.32 H new ATOM 0 HB1 ALA A 20 -7.105 -10.878 13.549 1.00 52.33 H new ATOM 0 HB2 ALA A 20 -8.141 -9.475 13.903 1.00 52.33 H new ATOM 0 HB3 ALA A 20 -8.398 -10.419 12.416 1.00 52.33 H new ATOM 289 N VAL A 21 -4.597 -9.810 11.321 1.00 3.14 N ATOM 290 CA VAL A 21 -3.757 -10.514 10.359 1.00 51.21 C ATOM 291 C VAL A 21 -3.998 -12.018 10.419 1.00 32.41 C ATOM 292 O VAL A 21 -3.815 -12.727 9.430 1.00 51.21 O ATOM 293 CB VAL A 21 -2.263 -10.234 10.608 1.00 72.32 C ATOM 294 CG1 VAL A 21 -1.418 -10.805 9.478 1.00 50.51 C ATOM 295 CG2 VAL A 21 -2.020 -8.741 10.764 1.00 45.31 C ATOM 0 H VAL A 21 -4.083 -9.233 11.987 1.00 3.14 H new ATOM 0 HA VAL A 21 -4.028 -10.144 9.370 1.00 51.21 H new ATOM 0 HB VAL A 21 -1.968 -10.726 11.535 1.00 72.32 H new ATOM 0 HG11 VAL A 21 -0.365 -10.598 9.670 1.00 50.51 H new ATOM 0 HG12 VAL A 21 -1.571 -11.883 9.418 1.00 50.51 H new ATOM 0 HG13 VAL A 21 -1.712 -10.344 8.535 1.00 50.51 H new ATOM 0 HG21 VAL A 21 -0.959 -8.561 10.939 1.00 45.31 H new ATOM 0 HG22 VAL A 21 -2.330 -8.225 9.855 1.00 45.31 H new ATOM 0 HG23 VAL A 21 -2.596 -8.365 11.609 1.00 45.31 H new ATOM 305 N GLY A 22 -4.409 -12.500 11.588 1.00 31.42 N ATOM 306 CA GLY A 22 -4.668 -13.919 11.756 1.00 24.21 C ATOM 307 C GLY A 22 -6.144 -14.224 11.911 1.00 55.42 C ATOM 308 O GLY A 22 -6.790 -13.746 12.844 1.00 11.41 O ATOM 0 H GLY A 22 -4.567 -11.934 12.422 1.00 31.42 H new ATOM 0 HA2 GLY A 22 -4.277 -14.461 10.895 1.00 24.21 H new ATOM 0 HA3 GLY A 22 -4.131 -14.282 12.632 1.00 24.21 H new ATOM 312 N VAL A 23 -6.683 -15.021 10.994 1.00 2.12 N ATOM 313 CA VAL A 23 -8.093 -15.388 11.032 1.00 73.32 C ATOM 314 C VAL A 23 -8.467 -15.988 12.382 1.00 53.20 C ATOM 315 O VAL A 23 -7.621 -16.537 13.087 1.00 25.31 O ATOM 316 CB VAL A 23 -8.442 -16.396 9.921 1.00 2.33 C ATOM 317 CG1 VAL A 23 -8.340 -15.738 8.552 1.00 34.02 C ATOM 318 CG2 VAL A 23 -7.536 -17.615 10.004 1.00 3.25 C ATOM 0 H VAL A 23 -6.163 -15.425 10.215 1.00 2.12 H new ATOM 0 HA VAL A 23 -8.663 -14.472 10.873 1.00 73.32 H new ATOM 0 HB VAL A 23 -9.471 -16.726 10.064 1.00 2.33 H new ATOM 0 HG11 VAL A 23 -8.590 -16.465 7.779 1.00 34.02 H new ATOM 0 HG12 VAL A 23 -9.034 -14.899 8.499 1.00 34.02 H new ATOM 0 HG13 VAL A 23 -7.323 -15.378 8.396 1.00 34.02 H new ATOM 0 HG21 VAL A 23 -7.797 -18.317 9.212 1.00 3.25 H new ATOM 0 HG22 VAL A 23 -6.498 -17.305 9.887 1.00 3.25 H new ATOM 0 HG23 VAL A 23 -7.664 -18.098 10.973 1.00 3.25 H new ATOM 328 N GLY A 24 -9.744 -15.881 12.738 1.00 52.45 N ATOM 329 CA GLY A 24 -10.209 -16.418 14.004 1.00 70.21 C ATOM 330 C GLY A 24 -10.041 -15.437 15.147 1.00 12.12 C ATOM 331 O GLY A 24 -8.951 -15.301 15.702 1.00 40.42 O ATOM 0 H GLY A 24 -10.464 -15.432 12.172 1.00 52.45 H new ATOM 0 HA2 GLY A 24 -11.261 -16.691 13.915 1.00 70.21 H new ATOM 0 HA3 GLY A 24 -9.661 -17.332 14.231 1.00 70.21 H new ATOM 335 N GLY A 25 -11.123 -14.751 15.500 1.00 44.53 N ATOM 336 CA GLY A 25 -11.069 -13.784 16.581 1.00 15.51 C ATOM 337 C GLY A 25 -10.293 -12.537 16.207 1.00 62.21 C ATOM 338 O GLY A 25 -9.823 -12.406 15.076 1.00 45.33 O ATOM 0 H GLY A 25 -12.037 -14.847 15.057 1.00 44.53 H new ATOM 0 HA2 GLY A 25 -12.084 -13.505 16.865 1.00 15.51 H new ATOM 0 HA3 GLY A 25 -10.609 -14.246 17.455 1.00 15.51 H new ATOM 342 N LYS A 26 -10.159 -11.617 17.156 1.00 74.12 N ATOM 343 CA LYS A 26 -9.436 -10.374 16.921 1.00 43.12 C ATOM 344 C LYS A 26 -8.403 -10.129 18.016 1.00 14.51 C ATOM 345 O LYS A 26 -8.676 -9.436 18.996 1.00 74.25 O ATOM 346 CB LYS A 26 -10.412 -9.197 16.854 1.00 40.12 C ATOM 347 CG LYS A 26 -11.537 -9.396 15.853 1.00 3.13 C ATOM 348 CD LYS A 26 -12.897 -9.371 16.531 1.00 22.42 C ATOM 349 CE LYS A 26 -13.372 -10.774 16.879 1.00 63.21 C ATOM 350 NZ LYS A 26 -13.700 -10.905 18.325 1.00 43.20 N ATOM 0 H LYS A 26 -10.543 -11.710 18.097 1.00 74.12 H new ATOM 0 HA LYS A 26 -8.915 -10.461 15.968 1.00 43.12 H new ATOM 0 HB2 LYS A 26 -10.841 -9.035 17.843 1.00 40.12 H new ATOM 0 HB3 LYS A 26 -9.861 -8.293 16.594 1.00 40.12 H new ATOM 0 HG2 LYS A 26 -11.493 -8.614 15.095 1.00 3.13 H new ATOM 0 HG3 LYS A 26 -11.403 -10.347 15.338 1.00 3.13 H new ATOM 0 HD2 LYS A 26 -12.842 -8.769 17.438 1.00 22.42 H new ATOM 0 HD3 LYS A 26 -13.623 -8.892 15.874 1.00 22.42 H new ATOM 0 HE2 LYS A 26 -14.252 -11.018 16.283 1.00 63.21 H new ATOM 0 HE3 LYS A 26 -12.599 -11.495 16.615 1.00 63.21 H new ATOM 0 HZ1 LYS A 26 -14.020 -11.875 18.522 1.00 43.20 H new ATOM 0 HZ2 LYS A 26 -12.854 -10.697 18.893 1.00 43.20 H new ATOM 0 HZ3 LYS A 26 -14.456 -10.235 18.572 1.00 43.20 H new ATOM 364 N SER A 27 -7.216 -10.701 17.843 1.00 73.24 N ATOM 365 CA SER A 27 -6.143 -10.548 18.818 1.00 50.34 C ATOM 366 C SER A 27 -4.925 -9.881 18.185 1.00 32.03 C ATOM 367 O SER A 27 -4.445 -8.855 18.666 1.00 24.45 O ATOM 368 CB SER A 27 -5.752 -11.909 19.396 1.00 4.22 C ATOM 369 OG SER A 27 -6.657 -12.918 18.983 1.00 1.02 O ATOM 0 H SER A 27 -6.973 -11.275 17.036 1.00 73.24 H new ATOM 0 HA SER A 27 -6.506 -9.911 19.624 1.00 50.34 H new ATOM 0 HB2 SER A 27 -4.743 -12.168 19.075 1.00 4.22 H new ATOM 0 HB3 SER A 27 -5.736 -11.854 20.484 1.00 4.22 H new ATOM 0 HG SER A 27 -6.384 -13.778 19.364 1.00 1.02 H new ATOM 375 N LYS A 28 -4.431 -10.474 17.103 1.00 11.42 N ATOM 376 CA LYS A 28 -3.270 -9.939 16.402 1.00 21.32 C ATOM 377 C LYS A 28 -3.692 -8.927 15.342 1.00 61.13 C ATOM 378 O LYS A 28 -3.808 -9.258 14.162 1.00 71.34 O ATOM 379 CB LYS A 28 -2.476 -11.073 15.749 1.00 31.52 C ATOM 380 CG LYS A 28 -1.701 -11.924 16.743 1.00 45.15 C ATOM 381 CD LYS A 28 -1.853 -13.406 16.446 1.00 52.35 C ATOM 382 CE LYS A 28 -1.522 -14.255 17.664 1.00 55.51 C ATOM 383 NZ LYS A 28 -0.582 -15.359 17.331 1.00 22.24 N ATOM 0 H LYS A 28 -4.816 -11.325 16.693 1.00 11.42 H new ATOM 0 HA LYS A 28 -2.638 -9.433 17.132 1.00 21.32 H new ATOM 0 HB2 LYS A 28 -3.162 -11.712 15.193 1.00 31.52 H new ATOM 0 HB3 LYS A 28 -1.779 -10.648 15.026 1.00 31.52 H new ATOM 0 HG2 LYS A 28 -0.646 -11.652 16.711 1.00 45.15 H new ATOM 0 HG3 LYS A 28 -2.053 -11.717 17.753 1.00 45.15 H new ATOM 0 HD2 LYS A 28 -2.874 -13.611 16.125 1.00 52.35 H new ATOM 0 HD3 LYS A 28 -1.198 -13.682 15.620 1.00 52.35 H new ATOM 0 HE2 LYS A 28 -1.083 -13.625 18.437 1.00 55.51 H new ATOM 0 HE3 LYS A 28 -2.441 -14.672 18.076 1.00 55.51 H new ATOM 0 HZ1 LYS A 28 -0.381 -15.914 18.187 1.00 22.24 H new ATOM 0 HZ2 LYS A 28 -1.011 -15.975 16.611 1.00 22.24 H new ATOM 0 HZ3 LYS A 28 0.305 -14.960 16.961 1.00 22.24 H new ATOM 397 N LYS A 29 -3.921 -7.690 15.770 1.00 1.42 N ATOM 398 CA LYS A 29 -4.328 -6.627 14.860 1.00 60.51 C ATOM 399 C LYS A 29 -3.131 -6.089 14.082 1.00 1.42 C ATOM 400 O LYS A 29 -1.982 -6.405 14.393 1.00 70.33 O ATOM 401 CB LYS A 29 -4.998 -5.491 15.636 1.00 62.14 C ATOM 402 CG LYS A 29 -4.024 -4.639 16.429 1.00 13.52 C ATOM 403 CD LYS A 29 -4.602 -4.240 17.778 1.00 65.14 C ATOM 404 CE LYS A 29 -3.511 -4.061 18.822 1.00 30.32 C ATOM 405 NZ LYS A 29 -4.073 -3.711 20.156 1.00 61.51 N ATOM 0 H LYS A 29 -3.831 -7.399 16.744 1.00 1.42 H new ATOM 0 HA LYS A 29 -5.043 -7.044 14.151 1.00 60.51 H new ATOM 0 HB2 LYS A 29 -5.539 -4.854 14.936 1.00 62.14 H new ATOM 0 HB3 LYS A 29 -5.736 -5.914 16.318 1.00 62.14 H new ATOM 0 HG2 LYS A 29 -3.095 -5.190 16.579 1.00 13.52 H new ATOM 0 HG3 LYS A 29 -3.775 -3.744 15.859 1.00 13.52 H new ATOM 0 HD2 LYS A 29 -5.163 -3.311 17.674 1.00 65.14 H new ATOM 0 HD3 LYS A 29 -5.306 -5.002 18.113 1.00 65.14 H new ATOM 0 HE2 LYS A 29 -2.930 -4.980 18.902 1.00 30.32 H new ATOM 0 HE3 LYS A 29 -2.825 -3.278 18.500 1.00 30.32 H new ATOM 0 HZ1 LYS A 29 -3.298 -3.597 20.840 1.00 61.51 H new ATOM 0 HZ2 LYS A 29 -4.606 -2.821 20.085 1.00 61.51 H new ATOM 0 HZ3 LYS A 29 -4.708 -4.470 20.475 1.00 61.51 H new ATOM 419 N PHE A 30 -3.407 -5.271 13.070 1.00 33.05 N ATOM 420 CA PHE A 30 -2.353 -4.688 12.249 1.00 32.45 C ATOM 421 C PHE A 30 -1.834 -3.394 12.868 1.00 30.01 C ATOM 422 O PHE A 30 -2.379 -2.902 13.855 1.00 54.23 O ATOM 423 CB PHE A 30 -2.868 -4.420 10.834 1.00 54.54 C ATOM 424 CG PHE A 30 -2.318 -5.364 9.805 1.00 75.21 C ATOM 425 CD1 PHE A 30 -0.951 -5.531 9.659 1.00 20.03 C ATOM 426 CD2 PHE A 30 -3.168 -6.088 8.984 1.00 50.35 C ATOM 427 CE1 PHE A 30 -0.440 -6.400 8.714 1.00 63.43 C ATOM 428 CE2 PHE A 30 -2.663 -6.959 8.036 1.00 41.33 C ATOM 429 CZ PHE A 30 -1.297 -7.114 7.900 1.00 51.25 C ATOM 0 H PHE A 30 -4.352 -4.998 12.800 1.00 33.05 H new ATOM 0 HA PHE A 30 -1.530 -5.401 12.199 1.00 32.45 H new ATOM 0 HB2 PHE A 30 -3.956 -4.489 10.833 1.00 54.54 H new ATOM 0 HB3 PHE A 30 -2.613 -3.399 10.551 1.00 54.54 H new ATOM 0 HD1 PHE A 30 -0.276 -4.975 10.292 1.00 20.03 H new ATOM 0 HD2 PHE A 30 -4.237 -5.971 9.086 1.00 50.35 H new ATOM 0 HE1 PHE A 30 0.628 -6.521 8.612 1.00 63.43 H new ATOM 0 HE2 PHE A 30 -3.336 -7.518 7.402 1.00 41.33 H new ATOM 0 HZ PHE A 30 -0.900 -7.792 7.159 1.00 51.25 H new ATOM 439 N GLY A 31 -0.774 -2.846 12.280 1.00 52.14 N ATOM 440 CA GLY A 31 -0.199 -1.614 12.787 1.00 23.42 C ATOM 441 C GLY A 31 0.772 -0.983 11.809 1.00 5.53 C ATOM 442 O GLY A 31 1.158 -1.604 10.820 1.00 31.12 O ATOM 0 H GLY A 31 -0.304 -3.234 11.462 1.00 52.14 H new ATOM 0 HA2 GLY A 31 -0.999 -0.907 13.008 1.00 23.42 H new ATOM 0 HA3 GLY A 31 0.316 -1.816 13.726 1.00 23.42 H new ATOM 446 N GLU A 32 1.166 0.257 12.086 1.00 63.21 N ATOM 447 CA GLU A 32 2.095 0.973 11.220 1.00 32.54 C ATOM 448 C GLU A 32 3.379 0.172 11.019 1.00 62.13 C ATOM 449 O GLU A 32 3.897 0.077 9.906 1.00 54.44 O ATOM 450 CB GLU A 32 2.425 2.345 11.812 1.00 34.33 C ATOM 451 CG GLU A 32 2.564 3.441 10.769 1.00 32.32 C ATOM 452 CD GLU A 32 3.928 4.103 10.798 1.00 44.53 C ATOM 453 OE1 GLU A 32 4.249 4.754 11.814 1.00 2.44 O ATOM 454 OE2 GLU A 32 4.672 3.971 9.804 1.00 33.34 O ATOM 0 H GLU A 32 0.857 0.785 12.902 1.00 63.21 H new ATOM 0 HA GLU A 32 1.616 1.109 10.250 1.00 32.54 H new ATOM 0 HB2 GLU A 32 1.643 2.624 12.518 1.00 34.33 H new ATOM 0 HB3 GLU A 32 3.354 2.273 12.377 1.00 34.33 H new ATOM 0 HG2 GLU A 32 2.390 3.020 9.779 1.00 32.32 H new ATOM 0 HG3 GLU A 32 1.795 4.195 10.935 1.00 32.32 H new ATOM 461 N GLY A 33 3.887 -0.403 12.105 1.00 44.43 N ATOM 462 CA GLY A 33 5.106 -1.188 12.026 1.00 52.54 C ATOM 463 C GLY A 33 4.953 -2.410 11.143 1.00 43.23 C ATOM 464 O GLY A 33 5.754 -2.632 10.236 1.00 52.12 O ATOM 0 H GLY A 33 3.477 -0.340 13.037 1.00 44.43 H new ATOM 0 HA2 GLY A 33 5.912 -0.564 11.640 1.00 52.54 H new ATOM 0 HA3 GLY A 33 5.398 -1.502 13.028 1.00 52.54 H new ATOM 468 N ASN A 34 3.921 -3.205 11.409 1.00 32.31 N ATOM 469 CA ASN A 34 3.668 -4.413 10.633 1.00 23.40 C ATOM 470 C ASN A 34 3.463 -4.079 9.158 1.00 45.41 C ATOM 471 O ASN A 34 4.057 -4.704 8.280 1.00 33.51 O ATOM 472 CB ASN A 34 2.440 -5.145 11.176 1.00 72.55 C ATOM 473 CG ASN A 34 2.523 -5.382 12.672 1.00 62.15 C ATOM 474 OD1 ASN A 34 2.971 -6.437 13.121 1.00 41.24 O ATOM 475 ND2 ASN A 34 2.089 -4.397 13.451 1.00 31.22 N ATOM 0 H ASN A 34 3.247 -3.034 12.156 1.00 32.31 H new ATOM 0 HA ASN A 34 4.539 -5.062 10.723 1.00 23.40 H new ATOM 0 HB2 ASN A 34 1.545 -4.564 10.952 1.00 72.55 H new ATOM 0 HB3 ASN A 34 2.335 -6.102 10.665 1.00 72.55 H new ATOM 0 HD21 ASN A 34 2.119 -4.498 14.466 1.00 31.22 H new ATOM 0 HD22 ASN A 34 1.726 -3.540 13.034 1.00 31.22 H new ATOM 482 N PHE A 35 2.618 -3.087 8.893 1.00 33.03 N ATOM 483 CA PHE A 35 2.335 -2.670 7.526 1.00 41.42 C ATOM 484 C PHE A 35 3.625 -2.366 6.771 1.00 24.51 C ATOM 485 O PHE A 35 3.776 -2.733 5.606 1.00 62.34 O ATOM 486 CB PHE A 35 1.427 -1.437 7.525 1.00 23.32 C ATOM 487 CG PHE A 35 1.244 -0.828 6.163 1.00 21.43 C ATOM 488 CD1 PHE A 35 1.476 0.521 5.957 1.00 4.41 C ATOM 489 CD2 PHE A 35 0.841 -1.607 5.091 1.00 62.23 C ATOM 490 CE1 PHE A 35 1.310 1.085 4.705 1.00 34.11 C ATOM 491 CE2 PHE A 35 0.672 -1.049 3.837 1.00 30.43 C ATOM 492 CZ PHE A 35 0.906 0.298 3.644 1.00 32.13 C ATOM 0 H PHE A 35 2.118 -2.558 9.608 1.00 33.03 H new ATOM 0 HA PHE A 35 1.825 -3.490 7.021 1.00 41.42 H new ATOM 0 HB2 PHE A 35 0.451 -1.714 7.925 1.00 23.32 H new ATOM 0 HB3 PHE A 35 1.845 -0.687 8.196 1.00 23.32 H new ATOM 0 HD1 PHE A 35 1.790 1.141 6.784 1.00 4.41 H new ATOM 0 HD2 PHE A 35 0.657 -2.661 5.236 1.00 62.23 H new ATOM 0 HE1 PHE A 35 1.496 2.139 4.557 1.00 34.11 H new ATOM 0 HE2 PHE A 35 0.357 -1.667 3.009 1.00 30.43 H new ATOM 0 HZ PHE A 35 0.773 0.735 2.666 1.00 32.13 H new ATOM 502 N ARG A 36 4.553 -1.692 7.443 1.00 30.30 N ATOM 503 CA ARG A 36 5.829 -1.338 6.836 1.00 5.13 C ATOM 504 C ARG A 36 6.659 -2.585 6.545 1.00 12.52 C ATOM 505 O ARG A 36 7.230 -2.724 5.464 1.00 21.14 O ATOM 506 CB ARG A 36 6.611 -0.396 7.754 1.00 53.33 C ATOM 507 CG ARG A 36 5.910 0.929 8.006 1.00 42.22 C ATOM 508 CD ARG A 36 6.528 2.052 7.187 1.00 73.41 C ATOM 509 NE ARG A 36 7.524 2.801 7.949 1.00 73.32 N ATOM 510 CZ ARG A 36 8.420 3.608 7.393 1.00 44.53 C ATOM 511 NH1 ARG A 36 8.444 3.771 6.077 1.00 31.43 N ATOM 512 NH2 ARG A 36 9.294 4.256 8.153 1.00 54.13 N ATOM 0 H ARG A 36 4.444 -1.380 8.408 1.00 30.30 H new ATOM 0 HA ARG A 36 5.625 -0.830 5.893 1.00 5.13 H new ATOM 0 HB2 ARG A 36 6.784 -0.893 8.708 1.00 53.33 H new ATOM 0 HB3 ARG A 36 7.589 -0.202 7.314 1.00 53.33 H new ATOM 0 HG2 ARG A 36 4.853 0.835 7.757 1.00 42.22 H new ATOM 0 HG3 ARG A 36 5.968 1.176 9.066 1.00 42.22 H new ATOM 0 HD2 ARG A 36 6.993 1.635 6.294 1.00 73.41 H new ATOM 0 HD3 ARG A 36 5.743 2.730 6.851 1.00 73.41 H new ATOM 0 HE ARG A 36 7.532 2.699 8.964 1.00 73.32 H new ATOM 0 HH11 ARG A 36 7.773 3.276 5.489 1.00 31.43 H new ATOM 0 HH12 ARG A 36 9.133 4.392 5.652 1.00 31.43 H new ATOM 0 HH21 ARG A 36 9.278 4.134 9.166 1.00 54.13 H new ATOM 0 HH22 ARG A 36 9.982 4.876 7.724 1.00 54.13 H new ATOM 526 N TRP A 37 6.720 -3.488 7.518 1.00 41.13 N ATOM 527 CA TRP A 37 7.480 -4.724 7.366 1.00 44.31 C ATOM 528 C TRP A 37 7.020 -5.498 6.136 1.00 61.10 C ATOM 529 O TRP A 37 7.812 -6.186 5.492 1.00 51.31 O ATOM 530 CB TRP A 37 7.334 -5.593 8.616 1.00 43.23 C ATOM 531 CG TRP A 37 7.925 -6.961 8.460 1.00 12.43 C ATOM 532 CD1 TRP A 37 9.146 -7.382 8.906 1.00 41.13 C ATOM 533 CD2 TRP A 37 7.324 -8.087 7.812 1.00 10.40 C ATOM 534 NE1 TRP A 37 9.339 -8.701 8.575 1.00 20.22 N ATOM 535 CE2 TRP A 37 8.235 -9.157 7.904 1.00 60.03 C ATOM 536 CE3 TRP A 37 6.103 -8.296 7.166 1.00 43.04 C ATOM 537 CZ2 TRP A 37 7.962 -10.414 7.371 1.00 5.21 C ATOM 538 CZ3 TRP A 37 5.834 -9.544 6.637 1.00 74.13 C ATOM 539 CH2 TRP A 37 6.760 -10.590 6.743 1.00 71.11 C ATOM 0 H TRP A 37 6.253 -3.388 8.419 1.00 41.13 H new ATOM 0 HA TRP A 37 8.530 -4.462 7.235 1.00 44.31 H new ATOM 0 HB2 TRP A 37 7.814 -5.091 9.457 1.00 43.23 H new ATOM 0 HB3 TRP A 37 6.276 -5.688 8.863 1.00 43.23 H new ATOM 0 HD1 TRP A 37 9.855 -6.768 9.440 1.00 41.13 H new ATOM 0 HE1 TRP A 37 10.169 -9.252 8.793 1.00 20.22 H new ATOM 0 HE3 TRP A 37 5.382 -7.496 7.082 1.00 43.04 H new ATOM 0 HZ2 TRP A 37 8.675 -11.222 7.451 1.00 5.21 H new ATOM 0 HZ3 TRP A 37 4.894 -9.716 6.133 1.00 74.13 H new ATOM 0 HH2 TRP A 37 6.520 -11.554 6.320 1.00 71.11 H new ATOM 550 N ALA A 38 5.736 -5.381 5.815 1.00 33.21 N ATOM 551 CA ALA A 38 5.172 -6.069 4.660 1.00 33.12 C ATOM 552 C ALA A 38 5.618 -5.413 3.359 1.00 65.23 C ATOM 553 O ALA A 38 6.233 -6.056 2.507 1.00 20.11 O ATOM 554 CB ALA A 38 3.653 -6.092 4.749 1.00 43.22 C ATOM 0 H ALA A 38 5.067 -4.816 6.338 1.00 33.21 H new ATOM 0 HA ALA A 38 5.540 -7.095 4.664 1.00 33.12 H new ATOM 0 HB1 ALA A 38 3.245 -6.609 3.880 1.00 43.22 H new ATOM 0 HB2 ALA A 38 3.350 -6.614 5.657 1.00 43.22 H new ATOM 0 HB3 ALA A 38 3.274 -5.070 4.774 1.00 43.22 H new ATOM 560 N ILE A 39 5.303 -4.131 3.209 1.00 14.25 N ATOM 561 CA ILE A 39 5.673 -3.388 2.011 1.00 60.00 C ATOM 562 C ILE A 39 7.182 -3.414 1.791 1.00 53.54 C ATOM 563 O ILE A 39 7.653 -3.530 0.660 1.00 53.14 O ATOM 564 CB ILE A 39 5.201 -1.924 2.087 1.00 15.43 C ATOM 565 CG1 ILE A 39 5.647 -1.156 0.842 1.00 41.11 C ATOM 566 CG2 ILE A 39 5.738 -1.261 3.347 1.00 0.50 C ATOM 567 CD1 ILE A 39 4.990 0.199 0.701 1.00 42.21 C ATOM 0 H ILE A 39 4.792 -3.585 3.903 1.00 14.25 H new ATOM 0 HA ILE A 39 5.178 -3.877 1.172 1.00 60.00 H new ATOM 0 HB ILE A 39 4.112 -1.909 2.128 1.00 15.43 H new ATOM 0 HG12 ILE A 39 6.729 -1.025 0.874 1.00 41.11 H new ATOM 0 HG13 ILE A 39 5.424 -1.753 -0.042 1.00 41.11 H new ATOM 0 HG21 ILE A 39 5.397 -0.227 3.388 1.00 0.50 H new ATOM 0 HG22 ILE A 39 5.375 -1.798 4.224 1.00 0.50 H new ATOM 0 HG23 ILE A 39 6.828 -1.283 3.334 1.00 0.50 H new ATOM 0 HD11 ILE A 39 5.353 0.687 -0.203 1.00 42.21 H new ATOM 0 HD12 ILE A 39 3.909 0.074 0.637 1.00 42.21 H new ATOM 0 HD13 ILE A 39 5.234 0.814 1.568 1.00 42.21 H new ATOM 579 N ARG A 40 7.934 -3.306 2.882 1.00 4.42 N ATOM 580 CA ARG A 40 9.390 -3.316 2.809 1.00 22.12 C ATOM 581 C ARG A 40 9.897 -4.642 2.247 1.00 52.12 C ATOM 582 O ARG A 40 10.651 -4.668 1.275 1.00 13.34 O ATOM 583 CB ARG A 40 9.994 -3.074 4.193 1.00 55.13 C ATOM 584 CG ARG A 40 11.513 -3.053 4.201 1.00 34.15 C ATOM 585 CD ARG A 40 12.061 -2.871 5.608 1.00 23.31 C ATOM 586 NE ARG A 40 13.271 -2.054 5.623 1.00 35.14 N ATOM 587 CZ ARG A 40 14.455 -2.486 5.203 1.00 52.24 C ATOM 588 NH1 ARG A 40 14.587 -3.720 4.738 1.00 72.24 N ATOM 589 NH2 ARG A 40 15.509 -1.682 5.248 1.00 22.45 N ATOM 0 H ARG A 40 7.559 -3.211 3.826 1.00 4.42 H new ATOM 0 HA ARG A 40 9.700 -2.514 2.139 1.00 22.12 H new ATOM 0 HB2 ARG A 40 9.624 -2.125 4.580 1.00 55.13 H new ATOM 0 HB3 ARG A 40 9.647 -3.852 4.872 1.00 55.13 H new ATOM 0 HG2 ARG A 40 11.893 -3.983 3.779 1.00 34.15 H new ATOM 0 HG3 ARG A 40 11.870 -2.245 3.563 1.00 34.15 H new ATOM 0 HD2 ARG A 40 11.301 -2.405 6.235 1.00 23.31 H new ATOM 0 HD3 ARG A 40 12.277 -3.847 6.042 1.00 23.31 H new ATOM 0 HE ARG A 40 13.204 -1.099 5.975 1.00 35.14 H new ATOM 0 HH11 ARG A 40 13.778 -4.341 4.702 1.00 72.24 H new ATOM 0 HH12 ARG A 40 15.497 -4.049 4.416 1.00 72.24 H new ATOM 0 HH21 ARG A 40 15.411 -0.732 5.605 1.00 22.45 H new ATOM 0 HH22 ARG A 40 16.418 -2.014 4.925 1.00 22.45 H new ATOM 603 N MET A 41 9.476 -5.740 2.866 1.00 51.30 N ATOM 604 CA MET A 41 9.887 -7.069 2.427 1.00 13.41 C ATOM 605 C MET A 41 9.384 -7.354 1.016 1.00 20.21 C ATOM 606 O MET A 41 10.115 -7.891 0.184 1.00 65.20 O ATOM 607 CB MET A 41 9.361 -8.133 3.393 1.00 32.03 C ATOM 608 CG MET A 41 10.172 -8.245 4.674 1.00 44.11 C ATOM 609 SD MET A 41 11.621 -9.304 4.488 1.00 43.43 S ATOM 610 CE MET A 41 10.949 -10.887 4.986 1.00 31.22 C ATOM 0 H MET A 41 8.851 -5.736 3.672 1.00 51.30 H new ATOM 0 HA MET A 41 10.976 -7.102 2.419 1.00 13.41 H new ATOM 0 HB2 MET A 41 8.326 -7.902 3.647 1.00 32.03 H new ATOM 0 HB3 MET A 41 9.358 -9.100 2.889 1.00 32.03 H new ATOM 0 HG2 MET A 41 10.491 -7.250 4.986 1.00 44.11 H new ATOM 0 HG3 MET A 41 9.538 -8.640 5.468 1.00 44.11 H new ATOM 0 HE1 MET A 41 11.727 -11.648 4.924 1.00 31.22 H new ATOM 0 HE2 MET A 41 10.586 -10.822 6.012 1.00 31.22 H new ATOM 0 HE3 MET A 41 10.125 -11.156 4.326 1.00 31.22 H new ATOM 620 N ALA A 42 8.133 -6.992 0.753 1.00 30.24 N ATOM 621 CA ALA A 42 7.535 -7.208 -0.558 1.00 44.24 C ATOM 622 C ALA A 42 8.329 -6.495 -1.648 1.00 41.03 C ATOM 623 O ALA A 42 8.543 -7.040 -2.730 1.00 2.34 O ATOM 624 CB ALA A 42 6.088 -6.737 -0.564 1.00 15.45 C ATOM 0 H ALA A 42 7.514 -6.548 1.431 1.00 30.24 H new ATOM 0 HA ALA A 42 7.558 -8.277 -0.768 1.00 44.24 H new ATOM 0 HB1 ALA A 42 5.655 -6.905 -1.550 1.00 15.45 H new ATOM 0 HB2 ALA A 42 5.521 -7.295 0.181 1.00 15.45 H new ATOM 0 HB3 ALA A 42 6.051 -5.674 -0.328 1.00 15.45 H new ATOM 630 N ASN A 43 8.760 -5.272 -1.355 1.00 24.44 N ATOM 631 CA ASN A 43 9.529 -4.483 -2.312 1.00 34.55 C ATOM 632 C ASN A 43 10.841 -5.180 -2.661 1.00 35.42 C ATOM 633 O ASN A 43 11.148 -5.399 -3.832 1.00 70.01 O ATOM 634 CB ASN A 43 9.814 -3.092 -1.745 1.00 54.41 C ATOM 635 CG ASN A 43 8.563 -2.239 -1.651 1.00 34.22 C ATOM 636 OD1 ASN A 43 7.580 -2.481 -2.353 1.00 1.45 O ATOM 637 ND2 ASN A 43 8.595 -1.235 -0.782 1.00 61.41 N ATOM 0 H ASN A 43 8.590 -4.806 -0.464 1.00 24.44 H new ATOM 0 HA ASN A 43 8.937 -4.383 -3.222 1.00 34.55 H new ATOM 0 HB2 ASN A 43 10.259 -3.190 -0.755 1.00 54.41 H new ATOM 0 HB3 ASN A 43 10.547 -2.589 -2.375 1.00 54.41 H new ATOM 0 HD21 ASN A 43 7.783 -0.627 -0.675 1.00 61.41 H new ATOM 0 HD22 ASN A 43 9.431 -1.072 -0.221 1.00 61.41 H new ATOM 644 N VAL A 44 11.612 -5.528 -1.635 1.00 12.44 N ATOM 645 CA VAL A 44 12.890 -6.201 -1.832 1.00 72.21 C ATOM 646 C VAL A 44 12.706 -7.524 -2.566 1.00 35.13 C ATOM 647 O VAL A 44 13.453 -7.842 -3.490 1.00 25.41 O ATOM 648 CB VAL A 44 13.598 -6.465 -0.490 1.00 4.53 C ATOM 649 CG1 VAL A 44 14.918 -7.187 -0.715 1.00 33.15 C ATOM 650 CG2 VAL A 44 13.818 -5.160 0.262 1.00 10.10 C ATOM 0 H VAL A 44 11.373 -5.355 -0.659 1.00 12.44 H new ATOM 0 HA VAL A 44 13.508 -5.537 -2.436 1.00 72.21 H new ATOM 0 HB VAL A 44 12.959 -7.106 0.117 1.00 4.53 H new ATOM 0 HG11 VAL A 44 15.404 -7.365 0.245 1.00 33.15 H new ATOM 0 HG12 VAL A 44 14.732 -8.140 -1.210 1.00 33.15 H new ATOM 0 HG13 VAL A 44 15.566 -6.574 -1.341 1.00 33.15 H new ATOM 0 HG21 VAL A 44 14.319 -5.365 1.208 1.00 10.10 H new ATOM 0 HG22 VAL A 44 14.436 -4.493 -0.339 1.00 10.10 H new ATOM 0 HG23 VAL A 44 12.856 -4.686 0.457 1.00 10.10 H new ATOM 660 N SER A 45 11.706 -8.293 -2.146 1.00 61.32 N ATOM 661 CA SER A 45 11.425 -9.585 -2.762 1.00 12.34 C ATOM 662 C SER A 45 11.201 -9.435 -4.263 1.00 3.13 C ATOM 663 O SER A 45 11.412 -10.374 -5.032 1.00 55.54 O ATOM 664 CB SER A 45 10.198 -10.226 -2.113 1.00 54.22 C ATOM 665 OG SER A 45 10.148 -11.618 -2.377 1.00 24.42 O ATOM 0 H SER A 45 11.077 -8.044 -1.382 1.00 61.32 H new ATOM 0 HA SER A 45 12.289 -10.230 -2.605 1.00 12.34 H new ATOM 0 HB2 SER A 45 10.223 -10.058 -1.036 1.00 54.22 H new ATOM 0 HB3 SER A 45 9.293 -9.749 -2.489 1.00 54.22 H new ATOM 0 HG SER A 45 9.854 -12.093 -1.572 1.00 24.42 H new ATOM 671 N THR A 46 10.773 -8.246 -4.675 1.00 41.52 N ATOM 672 CA THR A 46 10.518 -7.971 -6.083 1.00 5.43 C ATOM 673 C THR A 46 11.698 -7.247 -6.723 1.00 24.21 C ATOM 674 O THR A 46 11.867 -7.272 -7.942 1.00 72.11 O ATOM 675 CB THR A 46 9.248 -7.120 -6.269 1.00 72.34 C ATOM 676 OG1 THR A 46 9.075 -6.247 -5.148 1.00 40.45 O ATOM 677 CG2 THR A 46 8.021 -8.007 -6.421 1.00 32.53 C ATOM 0 H THR A 46 10.596 -7.458 -4.053 1.00 41.52 H new ATOM 0 HA THR A 46 10.375 -8.934 -6.572 1.00 5.43 H new ATOM 0 HB THR A 46 9.364 -6.527 -7.176 1.00 72.34 H new ATOM 0 HG1 THR A 46 9.889 -5.718 -5.017 1.00 40.45 H new ATOM 0 HG21 THR A 46 7.136 -7.384 -6.551 1.00 32.53 H new ATOM 0 HG22 THR A 46 8.143 -8.651 -7.292 1.00 32.53 H new ATOM 0 HG23 THR A 46 7.904 -8.622 -5.529 1.00 32.53 H new ATOM 685 N GLY A 47 12.512 -6.601 -5.894 1.00 71.23 N ATOM 686 CA GLY A 47 13.666 -5.880 -6.398 1.00 65.32 C ATOM 687 C GLY A 47 13.298 -4.527 -6.975 1.00 61.31 C ATOM 688 O GLY A 47 13.901 -4.075 -7.948 1.00 12.21 O ATOM 0 H GLY A 47 12.393 -6.564 -4.882 1.00 71.23 H new ATOM 0 HA2 GLY A 47 14.386 -5.744 -5.591 1.00 65.32 H new ATOM 0 HA3 GLY A 47 14.157 -6.478 -7.166 1.00 65.32 H new ATOM 692 N ARG A 48 12.304 -3.881 -6.374 1.00 2.13 N ATOM 693 CA ARG A 48 11.854 -2.573 -6.836 1.00 73.12 C ATOM 694 C ARG A 48 12.473 -1.459 -5.998 1.00 11.34 C ATOM 695 O ARG A 48 11.781 -0.541 -5.560 1.00 44.24 O ATOM 696 CB ARG A 48 10.328 -2.484 -6.775 1.00 35.45 C ATOM 697 CG ARG A 48 9.622 -3.533 -7.619 1.00 73.40 C ATOM 698 CD ARG A 48 8.233 -3.072 -8.033 1.00 30.23 C ATOM 699 NE ARG A 48 8.231 -2.476 -9.366 1.00 53.42 N ATOM 700 CZ ARG A 48 7.122 -2.166 -10.029 1.00 44.12 C ATOM 701 NH1 ARG A 48 5.934 -2.394 -9.486 1.00 22.43 N ATOM 702 NH2 ARG A 48 7.201 -1.625 -11.239 1.00 61.12 N ATOM 0 H ARG A 48 11.795 -4.242 -5.567 1.00 2.13 H new ATOM 0 HA ARG A 48 12.177 -2.449 -7.870 1.00 73.12 H new ATOM 0 HB2 ARG A 48 10.008 -2.588 -5.738 1.00 35.45 H new ATOM 0 HB3 ARG A 48 10.017 -1.493 -7.107 1.00 35.45 H new ATOM 0 HG2 ARG A 48 10.216 -3.746 -8.508 1.00 73.40 H new ATOM 0 HG3 ARG A 48 9.545 -4.463 -7.056 1.00 73.40 H new ATOM 0 HD2 ARG A 48 7.548 -3.920 -8.014 1.00 30.23 H new ATOM 0 HD3 ARG A 48 7.861 -2.346 -7.310 1.00 30.23 H new ATOM 0 HE ARG A 48 9.129 -2.288 -9.812 1.00 53.42 H new ATOM 0 HH11 ARG A 48 5.869 -2.809 -8.556 1.00 22.43 H new ATOM 0 HH12 ARG A 48 5.085 -2.155 -9.998 1.00 22.43 H new ATOM 0 HH21 ARG A 48 8.113 -1.447 -11.660 1.00 61.12 H new ATOM 0 HH22 ARG A 48 6.350 -1.387 -11.748 1.00 61.12 H new ATOM 716 N GLU A 49 13.782 -1.546 -5.779 1.00 62.54 N ATOM 717 CA GLU A 49 14.493 -0.547 -4.992 1.00 45.33 C ATOM 718 C GLU A 49 13.981 -0.519 -3.555 1.00 34.21 C ATOM 719 O GLU A 49 12.883 -0.986 -3.252 1.00 13.14 O ATOM 720 CB GLU A 49 14.338 0.837 -5.626 1.00 42.52 C ATOM 721 CG GLU A 49 15.560 1.289 -6.408 1.00 43.20 C ATOM 722 CD GLU A 49 15.310 1.341 -7.903 1.00 43.34 C ATOM 723 OE1 GLU A 49 14.714 0.383 -8.438 1.00 32.34 O ATOM 724 OE2 GLU A 49 15.709 2.339 -8.538 1.00 2.21 O ATOM 0 H GLU A 49 14.371 -2.299 -6.136 1.00 62.54 H new ATOM 0 HA GLU A 49 15.549 -0.818 -4.978 1.00 45.33 H new ATOM 0 HB2 GLU A 49 13.474 0.828 -6.291 1.00 42.52 H new ATOM 0 HB3 GLU A 49 14.129 1.565 -4.842 1.00 42.52 H new ATOM 0 HG2 GLU A 49 15.865 2.276 -6.060 1.00 43.20 H new ATOM 0 HG3 GLU A 49 16.388 0.610 -6.205 1.00 43.20 H new ATOM 731 N PRO A 50 14.796 0.039 -2.648 1.00 13.42 N ATOM 732 CA PRO A 50 14.448 0.141 -1.227 1.00 61.21 C ATOM 733 C PRO A 50 13.323 1.139 -0.976 1.00 42.12 C ATOM 734 O PRO A 50 12.357 0.837 -0.276 1.00 63.14 O ATOM 735 CB PRO A 50 15.747 0.624 -0.577 1.00 42.24 C ATOM 736 CG PRO A 50 16.473 1.335 -1.667 1.00 34.41 C ATOM 737 CD PRO A 50 16.119 0.615 -2.939 1.00 3.42 C ATOM 0 HA PRO A 50 14.082 -0.805 -0.828 1.00 61.21 H new ATOM 0 HB2 PRO A 50 15.546 1.288 0.264 1.00 42.24 H new ATOM 0 HB3 PRO A 50 16.331 -0.211 -0.191 1.00 42.24 H new ATOM 0 HG2 PRO A 50 16.175 2.382 -1.716 1.00 34.41 H new ATOM 0 HG3 PRO A 50 17.549 1.317 -1.495 1.00 34.41 H new ATOM 0 HD2 PRO A 50 16.083 1.296 -3.789 1.00 3.42 H new ATOM 0 HD3 PRO A 50 16.849 -0.157 -3.180 1.00 3.42 H new ATOM 745 N GLY A 51 13.454 2.330 -1.553 1.00 65.10 N ATOM 746 CA GLY A 51 12.440 3.354 -1.380 1.00 21.05 C ATOM 747 C GLY A 51 11.260 3.165 -2.310 1.00 52.01 C ATOM 748 O GLY A 51 11.143 3.853 -3.324 1.00 70.13 O ATOM 0 H GLY A 51 14.244 2.604 -2.137 1.00 65.10 H new ATOM 0 HA2 GLY A 51 12.090 3.344 -0.348 1.00 21.05 H new ATOM 0 HA3 GLY A 51 12.884 4.334 -1.556 1.00 21.05 H new ATOM 752 N ASP A 52 10.382 2.228 -1.966 1.00 63.05 N ATOM 753 CA ASP A 52 9.203 1.949 -2.779 1.00 4.55 C ATOM 754 C ASP A 52 7.926 2.259 -2.007 1.00 52.03 C ATOM 755 O ASP A 52 7.438 1.431 -1.237 1.00 61.32 O ATOM 756 CB ASP A 52 9.202 0.487 -3.228 1.00 62.12 C ATOM 757 CG ASP A 52 9.256 0.345 -4.736 1.00 62.41 C ATOM 758 OD1 ASP A 52 9.868 1.212 -5.393 1.00 63.31 O ATOM 759 OD2 ASP A 52 8.686 -0.635 -5.259 1.00 62.55 O ATOM 0 H ASP A 52 10.464 1.649 -1.130 1.00 63.05 H new ATOM 0 HA ASP A 52 9.238 2.591 -3.659 1.00 4.55 H new ATOM 0 HB2 ASP A 52 10.056 -0.026 -2.787 1.00 62.12 H new ATOM 0 HB3 ASP A 52 8.305 -0.005 -2.851 1.00 62.12 H new ATOM 764 N ILE A 53 7.388 3.456 -2.217 1.00 30.33 N ATOM 765 CA ILE A 53 6.166 3.875 -1.541 1.00 25.45 C ATOM 766 C ILE A 53 5.020 4.045 -2.532 1.00 0.01 C ATOM 767 O ILE A 53 4.615 5.159 -2.866 1.00 10.42 O ATOM 768 CB ILE A 53 6.371 5.196 -0.778 1.00 14.21 C ATOM 769 CG1 ILE A 53 7.612 5.109 0.114 1.00 45.43 C ATOM 770 CG2 ILE A 53 5.139 5.524 0.052 1.00 41.54 C ATOM 771 CD1 ILE A 53 7.890 6.379 0.887 1.00 14.44 C ATOM 0 H ILE A 53 7.779 4.153 -2.850 1.00 30.33 H new ATOM 0 HA ILE A 53 5.913 3.089 -0.829 1.00 25.45 H new ATOM 0 HB ILE A 53 6.522 5.997 -1.502 1.00 14.21 H new ATOM 0 HG12 ILE A 53 7.487 4.285 0.817 1.00 45.43 H new ATOM 0 HG13 ILE A 53 8.478 4.872 -0.504 1.00 45.43 H new ATOM 0 HG21 ILE A 53 5.299 6.461 0.586 1.00 41.54 H new ATOM 0 HG22 ILE A 53 4.274 5.623 -0.604 1.00 41.54 H new ATOM 0 HG23 ILE A 53 4.960 4.723 0.770 1.00 41.54 H new ATOM 0 HD11 ILE A 53 8.783 6.245 1.497 1.00 14.44 H new ATOM 0 HD12 ILE A 53 8.047 7.202 0.190 1.00 14.44 H new ATOM 0 HD13 ILE A 53 7.041 6.606 1.531 1.00 14.44 H new ATOM 783 N PRO A 54 4.482 2.915 -3.014 1.00 1.24 N ATOM 784 CA PRO A 54 3.373 2.913 -3.972 1.00 72.00 C ATOM 785 C PRO A 54 2.065 3.385 -3.346 1.00 35.32 C ATOM 786 O PRO A 54 1.619 2.842 -2.336 1.00 34.43 O ATOM 787 CB PRO A 54 3.267 1.443 -4.389 1.00 25.14 C ATOM 788 CG PRO A 54 3.835 0.682 -3.240 1.00 63.05 C ATOM 789 CD PRO A 54 4.914 1.553 -2.661 1.00 32.44 C ATOM 0 HA PRO A 54 3.552 3.594 -4.804 1.00 72.00 H new ATOM 0 HB2 PRO A 54 2.232 1.159 -4.579 1.00 25.14 H new ATOM 0 HB3 PRO A 54 3.824 1.250 -5.306 1.00 25.14 H new ATOM 0 HG2 PRO A 54 3.067 0.466 -2.497 1.00 63.05 H new ATOM 0 HG3 PRO A 54 4.240 -0.275 -3.568 1.00 63.05 H new ATOM 0 HD2 PRO A 54 4.997 1.425 -1.582 1.00 32.44 H new ATOM 0 HD3 PRO A 54 5.890 1.319 -3.086 1.00 32.44 H new ATOM 797 N GLU A 55 1.455 4.397 -3.953 1.00 61.21 N ATOM 798 CA GLU A 55 0.197 4.942 -3.454 1.00 35.54 C ATOM 799 C GLU A 55 -0.913 4.787 -4.489 1.00 34.53 C ATOM 800 O GLU A 55 -1.609 5.746 -4.819 1.00 1.44 O ATOM 801 CB GLU A 55 0.365 6.417 -3.085 1.00 65.43 C ATOM 802 CG GLU A 55 1.635 6.709 -2.306 1.00 5.14 C ATOM 803 CD GLU A 55 2.756 7.227 -3.187 1.00 61.45 C ATOM 804 OE1 GLU A 55 2.642 7.099 -4.425 1.00 31.11 O ATOM 805 OE2 GLU A 55 3.745 7.756 -2.641 1.00 51.43 O ATOM 0 H GLU A 55 1.811 4.857 -4.791 1.00 61.21 H new ATOM 0 HA GLU A 55 -0.083 4.382 -2.562 1.00 35.54 H new ATOM 0 HB2 GLU A 55 0.363 7.013 -3.997 1.00 65.43 H new ATOM 0 HB3 GLU A 55 -0.494 6.735 -2.495 1.00 65.43 H new ATOM 0 HG2 GLU A 55 1.420 7.443 -1.530 1.00 5.14 H new ATOM 0 HG3 GLU A 55 1.965 5.800 -1.802 1.00 5.14 H new ATOM 812 N THR A 56 -1.071 3.569 -5.000 1.00 54.20 N ATOM 813 CA THR A 56 -2.095 3.288 -5.999 1.00 20.41 C ATOM 814 C THR A 56 -2.596 1.853 -5.883 1.00 13.10 C ATOM 815 O THR A 56 -1.807 0.917 -5.747 1.00 51.14 O ATOM 816 CB THR A 56 -1.564 3.519 -7.427 1.00 41.42 C ATOM 817 OG1 THR A 56 -0.527 2.579 -7.723 1.00 31.33 O ATOM 818 CG2 THR A 56 -1.032 4.936 -7.583 1.00 14.03 C ATOM 0 H THR A 56 -0.504 2.763 -4.739 1.00 54.20 H new ATOM 0 HA THR A 56 -2.919 3.975 -5.809 1.00 20.41 H new ATOM 0 HB THR A 56 -2.389 3.378 -8.125 1.00 41.42 H new ATOM 0 HG1 THR A 56 -0.623 2.266 -8.647 1.00 31.33 H new ATOM 0 HG21 THR A 56 -0.662 5.076 -8.599 1.00 14.03 H new ATOM 0 HG22 THR A 56 -1.833 5.649 -7.387 1.00 14.03 H new ATOM 0 HG23 THR A 56 -0.219 5.099 -6.875 1.00 14.03 H new ATOM 826 N LEU A 57 -3.913 1.685 -5.937 1.00 0.30 N ATOM 827 CA LEU A 57 -4.521 0.363 -5.839 1.00 73.51 C ATOM 828 C LEU A 57 -3.888 -0.603 -6.835 1.00 40.42 C ATOM 829 O LEU A 57 -3.788 -1.802 -6.575 1.00 74.32 O ATOM 830 CB LEU A 57 -6.029 0.453 -6.085 1.00 23.54 C ATOM 831 CG LEU A 57 -6.883 -0.625 -5.417 1.00 61.02 C ATOM 832 CD1 LEU A 57 -8.216 -0.047 -4.969 1.00 12.22 C ATOM 833 CD2 LEU A 57 -7.099 -1.796 -6.364 1.00 54.05 C ATOM 0 H LEU A 57 -4.580 2.448 -6.048 1.00 0.30 H new ATOM 0 HA LEU A 57 -4.346 -0.016 -4.832 1.00 73.51 H new ATOM 0 HB2 LEU A 57 -6.376 1.428 -5.741 1.00 23.54 H new ATOM 0 HB3 LEU A 57 -6.205 0.413 -7.160 1.00 23.54 H new ATOM 0 HG LEU A 57 -6.353 -0.988 -4.536 1.00 61.02 H new ATOM 0 HD11 LEU A 57 -8.811 -0.828 -4.496 1.00 12.22 H new ATOM 0 HD12 LEU A 57 -8.042 0.759 -4.256 1.00 12.22 H new ATOM 0 HD13 LEU A 57 -8.752 0.344 -5.834 1.00 12.22 H new ATOM 0 HD21 LEU A 57 -7.709 -2.554 -5.872 1.00 54.05 H new ATOM 0 HD22 LEU A 57 -7.608 -1.448 -7.263 1.00 54.05 H new ATOM 0 HD23 LEU A 57 -6.135 -2.226 -6.636 1.00 54.05 H new ATOM 845 N ASP A 58 -3.461 -0.072 -7.975 1.00 63.04 N ATOM 846 CA ASP A 58 -2.834 -0.887 -9.010 1.00 41.24 C ATOM 847 C ASP A 58 -1.475 -1.402 -8.548 1.00 75.04 C ATOM 848 O ASP A 58 -1.178 -2.590 -8.672 1.00 61.41 O ATOM 849 CB ASP A 58 -2.676 -0.078 -10.299 1.00 22.53 C ATOM 850 CG ASP A 58 -2.440 -0.959 -11.510 1.00 20.24 C ATOM 851 OD1 ASP A 58 -3.160 -0.790 -12.517 1.00 2.51 O ATOM 852 OD2 ASP A 58 -1.535 -1.817 -11.452 1.00 62.12 O ATOM 0 H ASP A 58 -3.537 0.918 -8.206 1.00 63.04 H new ATOM 0 HA ASP A 58 -3.479 -1.744 -9.204 1.00 41.24 H new ATOM 0 HB2 ASP A 58 -3.571 0.523 -10.459 1.00 22.53 H new ATOM 0 HB3 ASP A 58 -1.842 0.615 -10.190 1.00 22.53 H new ATOM 857 N GLN A 59 -0.656 -0.502 -8.015 1.00 61.23 N ATOM 858 CA GLN A 59 0.671 -0.867 -7.535 1.00 22.00 C ATOM 859 C GLN A 59 0.589 -1.987 -6.504 1.00 12.21 C ATOM 860 O GLN A 59 1.411 -2.904 -6.501 1.00 51.03 O ATOM 861 CB GLN A 59 1.369 0.351 -6.928 1.00 22.12 C ATOM 862 CG GLN A 59 2.061 1.232 -7.957 1.00 12.24 C ATOM 863 CD GLN A 59 2.749 2.429 -7.332 1.00 21.44 C ATOM 864 OE1 GLN A 59 3.977 2.480 -7.247 1.00 33.22 O ATOM 865 NE2 GLN A 59 1.961 3.401 -6.889 1.00 42.13 N ATOM 0 H GLN A 59 -0.888 0.485 -7.905 1.00 61.23 H new ATOM 0 HA GLN A 59 1.252 -1.224 -8.386 1.00 22.00 H new ATOM 0 HB2 GLN A 59 0.635 0.947 -6.386 1.00 22.12 H new ATOM 0 HB3 GLN A 59 2.105 0.012 -6.199 1.00 22.12 H new ATOM 0 HG2 GLN A 59 2.796 0.639 -8.502 1.00 12.24 H new ATOM 0 HG3 GLN A 59 1.328 1.579 -8.685 1.00 12.24 H new ATOM 0 HE21 GLN A 59 0.948 3.318 -6.979 1.00 42.13 H new ATOM 0 HE22 GLN A 59 2.368 4.231 -6.458 1.00 42.13 H new ATOM 874 N LEU A 60 -0.407 -1.906 -5.629 1.00 71.55 N ATOM 875 CA LEU A 60 -0.598 -2.914 -4.591 1.00 3.23 C ATOM 876 C LEU A 60 -0.897 -4.278 -5.205 1.00 41.35 C ATOM 877 O LEU A 60 -0.212 -5.261 -4.922 1.00 74.15 O ATOM 878 CB LEU A 60 -1.734 -2.502 -3.655 1.00 40.33 C ATOM 879 CG LEU A 60 -1.411 -1.391 -2.655 1.00 75.02 C ATOM 880 CD1 LEU A 60 -2.562 -0.402 -2.564 1.00 61.22 C ATOM 881 CD2 LEU A 60 -1.104 -1.980 -1.285 1.00 71.02 C ATOM 0 H LEU A 60 -1.095 -1.153 -5.617 1.00 71.55 H new ATOM 0 HA LEU A 60 0.326 -2.989 -4.018 1.00 3.23 H new ATOM 0 HB2 LEU A 60 -2.580 -2.182 -4.263 1.00 40.33 H new ATOM 0 HB3 LEU A 60 -2.056 -3.382 -3.098 1.00 40.33 H new ATOM 0 HG LEU A 60 -0.528 -0.858 -3.007 1.00 75.02 H new ATOM 0 HD11 LEU A 60 -2.313 0.381 -1.848 1.00 61.22 H new ATOM 0 HD12 LEU A 60 -2.737 0.044 -3.543 1.00 61.22 H new ATOM 0 HD13 LEU A 60 -3.463 -0.921 -2.236 1.00 61.22 H new ATOM 0 HD21 LEU A 60 -0.876 -1.175 -0.586 1.00 71.02 H new ATOM 0 HD22 LEU A 60 -1.969 -2.538 -0.927 1.00 71.02 H new ATOM 0 HD23 LEU A 60 -0.247 -2.649 -1.360 1.00 71.02 H new ATOM 893 N ARG A 61 -1.925 -4.329 -6.047 1.00 3.24 N ATOM 894 CA ARG A 61 -2.314 -5.572 -6.702 1.00 53.43 C ATOM 895 C ARG A 61 -1.154 -6.150 -7.506 1.00 30.22 C ATOM 896 O ARG A 61 -1.107 -7.352 -7.772 1.00 21.35 O ATOM 897 CB ARG A 61 -3.516 -5.335 -7.618 1.00 60.34 C ATOM 898 CG ARG A 61 -3.912 -6.557 -8.432 1.00 2.22 C ATOM 899 CD ARG A 61 -4.977 -6.218 -9.463 1.00 42.02 C ATOM 900 NE ARG A 61 -4.682 -6.805 -10.768 1.00 10.42 N ATOM 901 CZ ARG A 61 -3.780 -6.311 -11.608 1.00 23.21 C ATOM 902 NH1 ARG A 61 -3.087 -5.228 -11.282 1.00 50.53 N ATOM 903 NH2 ARG A 61 -3.567 -6.901 -12.777 1.00 2.20 N ATOM 0 H ARG A 61 -2.503 -3.525 -6.291 1.00 3.24 H new ATOM 0 HA ARG A 61 -2.590 -6.290 -5.929 1.00 53.43 H new ATOM 0 HB2 ARG A 61 -4.367 -5.021 -7.013 1.00 60.34 H new ATOM 0 HB3 ARG A 61 -3.288 -4.514 -8.298 1.00 60.34 H new ATOM 0 HG2 ARG A 61 -3.033 -6.961 -8.934 1.00 2.22 H new ATOM 0 HG3 ARG A 61 -4.284 -7.335 -7.765 1.00 2.22 H new ATOM 0 HD2 ARG A 61 -5.946 -6.576 -9.115 1.00 42.02 H new ATOM 0 HD3 ARG A 61 -5.054 -5.135 -9.562 1.00 42.02 H new ATOM 0 HE ARG A 61 -5.197 -7.639 -11.049 1.00 10.42 H new ATOM 0 HH11 ARG A 61 -3.246 -4.772 -10.384 1.00 50.53 H new ATOM 0 HH12 ARG A 61 -2.395 -4.851 -11.930 1.00 50.53 H new ATOM 0 HH21 ARG A 61 -4.096 -7.735 -13.031 1.00 2.20 H new ATOM 0 HH22 ARG A 61 -2.874 -6.521 -13.421 1.00 2.20 H new ATOM 917 N LEU A 62 -0.221 -5.287 -7.892 1.00 13.53 N ATOM 918 CA LEU A 62 0.940 -5.711 -8.667 1.00 20.34 C ATOM 919 C LEU A 62 1.948 -6.441 -7.784 1.00 42.23 C ATOM 920 O LEU A 62 2.240 -7.617 -7.998 1.00 65.22 O ATOM 921 CB LEU A 62 1.605 -4.504 -9.328 1.00 4.44 C ATOM 922 CG LEU A 62 1.321 -4.312 -10.818 1.00 21.40 C ATOM 923 CD1 LEU A 62 1.925 -3.009 -11.316 1.00 12.55 C ATOM 924 CD2 LEU A 62 1.859 -5.490 -11.619 1.00 42.14 C ATOM 0 H LEU A 62 -0.246 -4.289 -7.681 1.00 13.53 H new ATOM 0 HA LEU A 62 0.598 -6.398 -9.441 1.00 20.34 H new ATOM 0 HB2 LEU A 62 1.287 -3.605 -8.800 1.00 4.44 H new ATOM 0 HB3 LEU A 62 2.683 -4.589 -9.192 1.00 4.44 H new ATOM 0 HG LEU A 62 0.241 -4.264 -10.957 1.00 21.40 H new ATOM 0 HD11 LEU A 62 1.712 -2.892 -12.378 1.00 12.55 H new ATOM 0 HD12 LEU A 62 1.493 -2.174 -10.765 1.00 12.55 H new ATOM 0 HD13 LEU A 62 3.004 -3.026 -11.162 1.00 12.55 H new ATOM 0 HD21 LEU A 62 1.648 -5.337 -12.677 1.00 42.14 H new ATOM 0 HD22 LEU A 62 2.936 -5.569 -11.471 1.00 42.14 H new ATOM 0 HD23 LEU A 62 1.378 -6.409 -11.283 1.00 42.14 H new ATOM 936 N VAL A 63 2.475 -5.735 -6.788 1.00 41.22 N ATOM 937 CA VAL A 63 3.447 -6.316 -5.870 1.00 60.03 C ATOM 938 C VAL A 63 2.938 -7.631 -5.291 1.00 42.04 C ATOM 939 O VAL A 63 3.722 -8.525 -4.972 1.00 12.33 O ATOM 940 CB VAL A 63 3.774 -5.351 -4.715 1.00 34.22 C ATOM 941 CG1 VAL A 63 2.504 -4.942 -3.985 1.00 52.40 C ATOM 942 CG2 VAL A 63 4.769 -5.987 -3.756 1.00 75.21 C ATOM 0 H VAL A 63 2.245 -4.760 -6.597 1.00 41.22 H new ATOM 0 HA VAL A 63 4.354 -6.503 -6.445 1.00 60.03 H new ATOM 0 HB VAL A 63 4.229 -4.453 -5.132 1.00 34.22 H new ATOM 0 HG11 VAL A 63 2.755 -4.260 -3.172 1.00 52.40 H new ATOM 0 HG12 VAL A 63 1.829 -4.444 -4.681 1.00 52.40 H new ATOM 0 HG13 VAL A 63 2.017 -5.828 -3.578 1.00 52.40 H new ATOM 0 HG21 VAL A 63 4.989 -5.292 -2.946 1.00 75.21 H new ATOM 0 HG22 VAL A 63 4.343 -6.902 -3.343 1.00 75.21 H new ATOM 0 HG23 VAL A 63 5.689 -6.224 -4.291 1.00 75.21 H new ATOM 952 N ILE A 64 1.620 -7.742 -5.159 1.00 34.45 N ATOM 953 CA ILE A 64 1.007 -8.949 -4.619 1.00 62.04 C ATOM 954 C ILE A 64 1.129 -10.112 -5.597 1.00 20.52 C ATOM 955 O ILE A 64 1.720 -11.145 -5.279 1.00 24.11 O ATOM 956 CB ILE A 64 -0.480 -8.726 -4.288 1.00 2.20 C ATOM 957 CG1 ILE A 64 -0.630 -7.632 -3.229 1.00 15.40 C ATOM 958 CG2 ILE A 64 -1.119 -10.022 -3.813 1.00 24.23 C ATOM 959 CD1 ILE A 64 -1.955 -6.905 -3.294 1.00 41.25 C ATOM 0 H ILE A 64 0.957 -7.011 -5.418 1.00 34.45 H new ATOM 0 HA ILE A 64 1.543 -9.191 -3.701 1.00 62.04 H new ATOM 0 HB ILE A 64 -0.993 -8.403 -5.194 1.00 2.20 H new ATOM 0 HG12 ILE A 64 -0.517 -8.077 -2.240 1.00 15.40 H new ATOM 0 HG13 ILE A 64 0.178 -6.910 -3.348 1.00 15.40 H new ATOM 0 HG21 ILE A 64 -2.170 -9.847 -3.583 1.00 24.23 H new ATOM 0 HG22 ILE A 64 -1.040 -10.775 -4.597 1.00 24.23 H new ATOM 0 HG23 ILE A 64 -0.606 -10.374 -2.918 1.00 24.23 H new ATOM 0 HD11 ILE A 64 -1.991 -6.144 -2.514 1.00 41.25 H new ATOM 0 HD12 ILE A 64 -2.062 -6.431 -4.269 1.00 41.25 H new ATOM 0 HD13 ILE A 64 -2.768 -7.616 -3.145 1.00 41.25 H new ATOM 971 N CYS A 65 0.567 -9.938 -6.789 1.00 11.44 N ATOM 972 CA CYS A 65 0.614 -10.972 -7.815 1.00 74.53 C ATOM 973 C CYS A 65 2.056 -11.350 -8.142 1.00 74.05 C ATOM 974 O CYS A 65 2.336 -12.481 -8.540 1.00 33.43 O ATOM 975 CB CYS A 65 -0.100 -10.497 -9.081 1.00 11.12 C ATOM 976 SG CYS A 65 -0.071 -11.691 -10.438 1.00 63.31 S ATOM 0 H CYS A 65 0.074 -9.090 -7.068 1.00 11.44 H new ATOM 0 HA CYS A 65 0.105 -11.855 -7.428 1.00 74.53 H new ATOM 0 HB2 CYS A 65 -1.137 -10.267 -8.836 1.00 11.12 H new ATOM 0 HB3 CYS A 65 0.361 -9.569 -9.418 1.00 11.12 H new ATOM 0 HG CYS A 65 -0.701 -11.199 -11.463 1.00 63.31 H new ATOM 982 N ASP A 66 2.964 -10.397 -7.971 1.00 70.12 N ATOM 983 CA ASP A 66 4.377 -10.629 -8.248 1.00 23.21 C ATOM 984 C ASP A 66 5.028 -11.422 -7.119 1.00 25.34 C ATOM 985 O ASP A 66 5.466 -12.557 -7.316 1.00 43.05 O ATOM 986 CB ASP A 66 5.106 -9.299 -8.441 1.00 13.43 C ATOM 987 CG ASP A 66 4.459 -8.431 -9.502 1.00 13.12 C ATOM 988 OD1 ASP A 66 4.756 -7.218 -9.539 1.00 63.42 O ATOM 989 OD2 ASP A 66 3.656 -8.965 -10.294 1.00 54.05 O ATOM 0 H ASP A 66 2.748 -9.456 -7.642 1.00 70.12 H new ATOM 0 HA ASP A 66 4.452 -11.211 -9.167 1.00 23.21 H new ATOM 0 HB2 ASP A 66 5.124 -8.758 -7.495 1.00 13.43 H new ATOM 0 HB3 ASP A 66 6.142 -9.493 -8.717 1.00 13.43 H new ATOM 994 N LEU A 67 5.091 -10.818 -5.938 1.00 74.21 N ATOM 995 CA LEU A 67 5.690 -11.468 -4.777 1.00 24.14 C ATOM 996 C LEU A 67 5.090 -12.852 -4.558 1.00 74.05 C ATOM 997 O LEU A 67 5.795 -13.794 -4.197 1.00 55.12 O ATOM 998 CB LEU A 67 5.490 -10.609 -3.528 1.00 14.34 C ATOM 999 CG LEU A 67 5.793 -11.287 -2.191 1.00 64.34 C ATOM 1000 CD1 LEU A 67 7.231 -11.779 -2.156 1.00 72.15 C ATOM 1001 CD2 LEU A 67 5.525 -10.334 -1.036 1.00 5.44 C ATOM 0 H LEU A 67 4.735 -9.879 -5.759 1.00 74.21 H new ATOM 0 HA LEU A 67 6.758 -11.581 -4.965 1.00 24.14 H new ATOM 0 HB2 LEU A 67 6.121 -9.724 -3.615 1.00 14.34 H new ATOM 0 HB3 LEU A 67 4.456 -10.263 -3.511 1.00 14.34 H new ATOM 0 HG LEU A 67 5.133 -12.148 -2.085 1.00 64.34 H new ATOM 0 HD11 LEU A 67 7.428 -12.259 -1.197 1.00 72.15 H new ATOM 0 HD12 LEU A 67 7.389 -12.497 -2.960 1.00 72.15 H new ATOM 0 HD13 LEU A 67 7.908 -10.934 -2.285 1.00 72.15 H new ATOM 0 HD21 LEU A 67 5.746 -10.834 -0.093 1.00 5.44 H new ATOM 0 HD22 LEU A 67 6.159 -9.453 -1.137 1.00 5.44 H new ATOM 0 HD23 LEU A 67 4.478 -10.031 -1.049 1.00 5.44 H new ATOM 1013 N GLN A 68 3.784 -12.968 -4.781 1.00 20.52 N ATOM 1014 CA GLN A 68 3.091 -14.239 -4.609 1.00 54.22 C ATOM 1015 C GLN A 68 3.501 -15.234 -5.689 1.00 73.13 C ATOM 1016 O GLN A 68 3.776 -16.399 -5.400 1.00 3.23 O ATOM 1017 CB GLN A 68 1.576 -14.025 -4.643 1.00 24.52 C ATOM 1018 CG GLN A 68 0.786 -15.175 -4.040 1.00 53.22 C ATOM 1019 CD GLN A 68 -0.199 -15.784 -5.018 1.00 44.23 C ATOM 1020 OE1 GLN A 68 -1.390 -15.473 -4.994 1.00 34.22 O ATOM 1021 NE2 GLN A 68 0.294 -16.657 -5.889 1.00 32.02 N ATOM 0 H GLN A 68 3.186 -12.198 -5.081 1.00 20.52 H new ATOM 0 HA GLN A 68 3.372 -14.649 -3.639 1.00 54.22 H new ATOM 0 HB2 GLN A 68 1.335 -13.108 -4.105 1.00 24.52 H new ATOM 0 HB3 GLN A 68 1.261 -13.881 -5.676 1.00 24.52 H new ATOM 0 HG2 GLN A 68 1.477 -15.946 -3.699 1.00 53.22 H new ATOM 0 HG3 GLN A 68 0.247 -14.819 -3.162 1.00 53.22 H new ATOM 0 HE21 GLN A 68 1.288 -16.886 -5.874 1.00 32.02 H new ATOM 0 HE22 GLN A 68 -0.321 -17.098 -6.573 1.00 32.02 H new ATOM 1030 N GLU A 69 3.540 -14.768 -6.933 1.00 54.35 N ATOM 1031 CA GLU A 69 3.916 -15.619 -8.055 1.00 44.22 C ATOM 1032 C GLU A 69 5.261 -16.292 -7.801 1.00 73.31 C ATOM 1033 O GLU A 69 5.438 -17.476 -8.090 1.00 1.32 O ATOM 1034 CB GLU A 69 3.979 -14.799 -9.347 1.00 13.22 C ATOM 1035 CG GLU A 69 2.703 -14.858 -10.169 1.00 34.33 C ATOM 1036 CD GLU A 69 2.679 -13.830 -11.283 1.00 52.12 C ATOM 1037 OE1 GLU A 69 3.250 -12.735 -11.092 1.00 72.10 O ATOM 1038 OE2 GLU A 69 2.088 -14.117 -12.344 1.00 31.53 O ATOM 0 H GLU A 69 3.316 -13.806 -7.189 1.00 54.35 H new ATOM 0 HA GLU A 69 3.156 -16.394 -8.161 1.00 44.22 H new ATOM 0 HB2 GLU A 69 4.192 -13.760 -9.097 1.00 13.22 H new ATOM 0 HB3 GLU A 69 4.810 -15.158 -9.955 1.00 13.22 H new ATOM 0 HG2 GLU A 69 2.597 -15.855 -10.597 1.00 34.33 H new ATOM 0 HG3 GLU A 69 1.846 -14.699 -9.515 1.00 34.33 H new ATOM 1045 N ARG A 70 6.204 -15.530 -7.259 1.00 35.13 N ATOM 1046 CA ARG A 70 7.533 -16.053 -6.966 1.00 25.15 C ATOM 1047 C ARG A 70 7.479 -17.081 -5.840 1.00 62.02 C ATOM 1048 O ARG A 70 8.052 -18.165 -5.947 1.00 2.11 O ATOM 1049 CB ARG A 70 8.480 -14.912 -6.586 1.00 35.22 C ATOM 1050 CG ARG A 70 9.789 -14.923 -7.359 1.00 41.14 C ATOM 1051 CD ARG A 70 10.518 -13.594 -7.237 1.00 3.33 C ATOM 1052 NE ARG A 70 11.967 -13.767 -7.198 1.00 23.31 N ATOM 1053 CZ ARG A 70 12.625 -14.222 -6.138 1.00 13.33 C ATOM 1054 NH1 ARG A 70 11.966 -14.547 -5.034 1.00 32.34 N ATOM 1055 NH2 ARG A 70 13.945 -14.352 -6.179 1.00 4.14 N ATOM 0 H ARG A 70 6.073 -14.549 -7.014 1.00 35.13 H new ATOM 0 HA ARG A 70 7.908 -16.545 -7.864 1.00 25.15 H new ATOM 0 HB2 ARG A 70 7.976 -13.961 -6.756 1.00 35.22 H new ATOM 0 HB3 ARG A 70 8.697 -14.971 -5.520 1.00 35.22 H new ATOM 0 HG2 ARG A 70 10.426 -15.725 -6.986 1.00 41.14 H new ATOM 0 HG3 ARG A 70 9.591 -15.136 -8.410 1.00 41.14 H new ATOM 0 HD2 ARG A 70 10.252 -12.956 -8.079 1.00 3.33 H new ATOM 0 HD3 ARG A 70 10.189 -13.082 -6.333 1.00 3.33 H new ATOM 0 HE ARG A 70 12.504 -13.525 -8.031 1.00 23.31 H new ATOM 0 HH11 ARG A 70 10.951 -14.448 -4.998 1.00 32.34 H new ATOM 0 HH12 ARG A 70 12.474 -14.896 -4.221 1.00 32.34 H new ATOM 0 HH21 ARG A 70 14.456 -14.102 -7.026 1.00 4.14 H new ATOM 0 HH22 ARG A 70 14.449 -14.702 -5.364 1.00 4.14 H new ATOM 1069 N ARG A 71 6.786 -16.732 -4.761 1.00 63.22 N ATOM 1070 CA ARG A 71 6.658 -17.623 -3.615 1.00 73.31 C ATOM 1071 C ARG A 71 5.952 -18.918 -4.009 1.00 11.02 C ATOM 1072 O ARG A 71 6.253 -19.986 -3.477 1.00 10.30 O ATOM 1073 CB ARG A 71 5.887 -16.932 -2.488 1.00 63.14 C ATOM 1074 CG ARG A 71 5.520 -17.861 -1.343 1.00 13.43 C ATOM 1075 CD ARG A 71 4.102 -18.389 -1.486 1.00 72.04 C ATOM 1076 NE ARG A 71 3.110 -17.436 -0.995 1.00 40.22 N ATOM 1077 CZ ARG A 71 1.799 -17.622 -1.095 1.00 73.23 C ATOM 1078 NH1 ARG A 71 1.323 -18.721 -1.664 1.00 31.20 N ATOM 1079 NH2 ARG A 71 0.959 -16.708 -0.623 1.00 22.31 N ATOM 0 H ARG A 71 6.305 -15.839 -4.657 1.00 63.22 H new ATOM 0 HA ARG A 71 7.660 -17.868 -3.263 1.00 73.31 H new ATOM 0 HB2 ARG A 71 6.488 -16.110 -2.099 1.00 63.14 H new ATOM 0 HB3 ARG A 71 4.976 -16.496 -2.897 1.00 63.14 H new ATOM 0 HG2 ARG A 71 6.219 -18.697 -1.313 1.00 13.43 H new ATOM 0 HG3 ARG A 71 5.618 -17.330 -0.396 1.00 13.43 H new ATOM 0 HD2 ARG A 71 3.902 -18.612 -2.534 1.00 72.04 H new ATOM 0 HD3 ARG A 71 4.007 -19.326 -0.937 1.00 72.04 H new ATOM 0 HE ARG A 71 3.443 -16.580 -0.551 1.00 40.22 H new ATOM 0 HH11 ARG A 71 1.964 -19.426 -2.026 1.00 31.20 H new ATOM 0 HH12 ARG A 71 0.315 -18.861 -1.739 1.00 31.20 H new ATOM 0 HH21 ARG A 71 1.321 -15.862 -0.183 1.00 22.31 H new ATOM 0 HH22 ARG A 71 -0.048 -16.852 -0.701 1.00 22.31 H new ATOM 1093 N GLU A 72 5.012 -18.812 -4.943 1.00 33.45 N ATOM 1094 CA GLU A 72 4.263 -19.975 -5.406 1.00 63.31 C ATOM 1095 C GLU A 72 5.179 -20.960 -6.127 1.00 24.13 C ATOM 1096 O GLU A 72 5.252 -22.135 -5.768 1.00 11.12 O ATOM 1097 CB GLU A 72 3.130 -19.541 -6.337 1.00 40.24 C ATOM 1098 CG GLU A 72 1.761 -20.040 -5.903 1.00 31.43 C ATOM 1099 CD GLU A 72 0.743 -20.002 -7.027 1.00 10.44 C ATOM 1100 OE1 GLU A 72 1.151 -20.122 -8.201 1.00 35.34 O ATOM 1101 OE2 GLU A 72 -0.461 -19.851 -6.732 1.00 11.44 O ATOM 0 H GLU A 72 4.751 -17.935 -5.393 1.00 33.45 H new ATOM 0 HA GLU A 72 3.838 -20.472 -4.534 1.00 63.31 H new ATOM 0 HB2 GLU A 72 3.111 -18.452 -6.389 1.00 40.24 H new ATOM 0 HB3 GLU A 72 3.338 -19.905 -7.343 1.00 40.24 H new ATOM 0 HG2 GLU A 72 1.851 -21.062 -5.534 1.00 31.43 H new ATOM 0 HG3 GLU A 72 1.403 -19.431 -5.073 1.00 31.43 H new ATOM 1108 N LYS A 73 5.877 -20.472 -7.148 1.00 35.21 N ATOM 1109 CA LYS A 73 6.788 -21.307 -7.920 1.00 23.33 C ATOM 1110 C LYS A 73 7.789 -22.008 -7.008 1.00 22.21 C ATOM 1111 O LYS A 73 8.116 -23.178 -7.211 1.00 42.01 O ATOM 1112 CB LYS A 73 7.532 -20.461 -8.956 1.00 21.41 C ATOM 1113 CG LYS A 73 7.085 -20.717 -10.385 1.00 51.43 C ATOM 1114 CD LYS A 73 8.258 -20.696 -11.350 1.00 3.54 C ATOM 1115 CE LYS A 73 7.970 -21.518 -12.596 1.00 45.12 C ATOM 1116 NZ LYS A 73 9.183 -21.685 -13.444 1.00 41.42 N ATOM 0 H LYS A 73 5.828 -19.502 -7.459 1.00 35.21 H new ATOM 0 HA LYS A 73 6.198 -22.066 -8.434 1.00 23.33 H new ATOM 0 HB2 LYS A 73 7.388 -19.406 -8.723 1.00 21.41 H new ATOM 0 HB3 LYS A 73 8.600 -20.662 -8.877 1.00 21.41 H new ATOM 0 HG2 LYS A 73 6.583 -21.683 -10.442 1.00 51.43 H new ATOM 0 HG3 LYS A 73 6.357 -19.961 -10.680 1.00 51.43 H new ATOM 0 HD2 LYS A 73 8.478 -19.667 -11.635 1.00 3.54 H new ATOM 0 HD3 LYS A 73 9.146 -21.086 -10.853 1.00 3.54 H new ATOM 0 HE2 LYS A 73 7.593 -22.498 -12.305 1.00 45.12 H new ATOM 0 HE3 LYS A 73 7.185 -21.034 -13.177 1.00 45.12 H new ATOM 0 HZ1 LYS A 73 8.945 -22.251 -14.283 1.00 41.42 H new ATOM 0 HZ2 LYS A 73 9.529 -20.751 -13.743 1.00 41.42 H new ATOM 0 HZ3 LYS A 73 9.924 -22.170 -12.898 1.00 41.42 H new ATOM 1130 N PHE A 74 8.272 -21.288 -6.001 1.00 43.52 N ATOM 1131 CA PHE A 74 9.236 -21.841 -5.057 1.00 51.23 C ATOM 1132 C PHE A 74 8.548 -22.769 -4.060 1.00 74.10 C ATOM 1133 O PHE A 74 9.168 -23.682 -3.515 1.00 43.02 O ATOM 1134 CB PHE A 74 9.955 -20.716 -4.311 1.00 33.54 C ATOM 1135 CG PHE A 74 11.452 -20.788 -4.417 1.00 73.04 C ATOM 1136 CD1 PHE A 74 12.150 -19.875 -5.191 1.00 61.33 C ATOM 1137 CD2 PHE A 74 12.161 -21.768 -3.742 1.00 34.41 C ATOM 1138 CE1 PHE A 74 13.527 -19.939 -5.290 1.00 20.23 C ATOM 1139 CE2 PHE A 74 13.538 -21.837 -3.837 1.00 13.55 C ATOM 1140 CZ PHE A 74 14.222 -20.922 -4.613 1.00 3.32 C ATOM 0 H PHE A 74 8.011 -20.319 -5.818 1.00 43.52 H new ATOM 0 HA PHE A 74 9.968 -22.419 -5.620 1.00 51.23 H new ATOM 0 HB2 PHE A 74 9.617 -19.757 -4.703 1.00 33.54 H new ATOM 0 HB3 PHE A 74 9.671 -20.749 -3.259 1.00 33.54 H new ATOM 0 HD1 PHE A 74 11.612 -19.104 -5.723 1.00 61.33 H new ATOM 0 HD2 PHE A 74 11.631 -22.487 -3.134 1.00 34.41 H new ATOM 0 HE1 PHE A 74 14.059 -19.221 -5.896 1.00 20.23 H new ATOM 0 HE2 PHE A 74 14.079 -22.606 -3.305 1.00 13.55 H new ATOM 0 HZ PHE A 74 15.298 -20.975 -4.690 1.00 3.32 H new ATOM 1150 N GLY A 75 7.262 -22.527 -3.826 1.00 73.53 N ATOM 1151 CA GLY A 75 6.510 -23.349 -2.894 1.00 22.10 C ATOM 1152 C GLY A 75 5.636 -22.525 -1.971 1.00 54.43 C ATOM 1153 O GLY A 75 4.671 -21.901 -2.411 1.00 32.31 O ATOM 0 H GLY A 75 6.727 -21.777 -4.264 1.00 73.53 H new ATOM 0 HA2 GLY A 75 5.887 -24.048 -3.452 1.00 22.10 H new ATOM 0 HA3 GLY A 75 7.202 -23.944 -2.299 1.00 22.10 H new ATOM 1157 N SER A 76 5.972 -22.525 -0.685 1.00 54.24 N ATOM 1158 CA SER A 76 5.206 -21.776 0.305 1.00 14.41 C ATOM 1159 C SER A 76 6.131 -20.956 1.201 1.00 43.12 C ATOM 1160 O SER A 76 7.342 -21.170 1.223 1.00 24.45 O ATOM 1161 CB SER A 76 4.365 -22.728 1.158 1.00 20.44 C ATOM 1162 OG SER A 76 2.996 -22.659 0.799 1.00 10.52 O ATOM 0 H SER A 76 6.769 -23.035 -0.304 1.00 54.24 H new ATOM 0 HA SER A 76 4.543 -21.093 -0.226 1.00 14.41 H new ATOM 0 HB2 SER A 76 4.726 -23.749 1.033 1.00 20.44 H new ATOM 0 HB3 SER A 76 4.481 -22.476 2.212 1.00 20.44 H new ATOM 0 HG SER A 76 2.480 -23.278 1.357 1.00 10.52 H new ATOM 1168 N SER A 77 5.549 -20.016 1.939 1.00 41.05 N ATOM 1169 CA SER A 77 6.319 -19.160 2.833 1.00 22.04 C ATOM 1170 C SER A 77 5.396 -18.306 3.697 1.00 24.02 C ATOM 1171 O SER A 77 4.582 -17.537 3.184 1.00 11.11 O ATOM 1172 CB SER A 77 7.261 -18.262 2.028 1.00 13.11 C ATOM 1173 OG SER A 77 7.809 -17.240 2.842 1.00 32.35 O ATOM 0 H SER A 77 4.546 -19.828 1.935 1.00 41.05 H new ATOM 0 HA SER A 77 6.911 -19.799 3.488 1.00 22.04 H new ATOM 0 HB2 SER A 77 8.065 -18.862 1.602 1.00 13.11 H new ATOM 0 HB3 SER A 77 6.719 -17.816 1.194 1.00 13.11 H new ATOM 0 HG SER A 77 8.782 -17.219 2.730 1.00 32.35 H new ATOM 1179 N LYS A 78 5.528 -18.446 5.011 1.00 24.21 N ATOM 1180 CA LYS A 78 4.709 -17.687 5.949 1.00 64.51 C ATOM 1181 C LYS A 78 5.036 -16.199 5.877 1.00 20.40 C ATOM 1182 O LYS A 78 4.140 -15.356 5.892 1.00 14.05 O ATOM 1183 CB LYS A 78 4.922 -18.199 7.374 1.00 51.10 C ATOM 1184 CG LYS A 78 6.373 -18.163 7.823 1.00 53.52 C ATOM 1185 CD LYS A 78 6.548 -18.800 9.192 1.00 21.14 C ATOM 1186 CE LYS A 78 7.954 -18.580 9.731 1.00 13.00 C ATOM 1187 NZ LYS A 78 7.961 -17.655 10.898 1.00 5.35 N ATOM 0 H LYS A 78 6.195 -19.079 5.452 1.00 24.21 H new ATOM 0 HA LYS A 78 3.663 -17.824 5.673 1.00 64.51 H new ATOM 0 HB2 LYS A 78 4.323 -17.600 8.060 1.00 51.10 H new ATOM 0 HB3 LYS A 78 4.555 -19.223 7.442 1.00 51.10 H new ATOM 0 HG2 LYS A 78 6.993 -18.686 7.095 1.00 53.52 H new ATOM 0 HG3 LYS A 78 6.720 -17.130 7.854 1.00 53.52 H new ATOM 0 HD2 LYS A 78 5.821 -18.379 9.886 1.00 21.14 H new ATOM 0 HD3 LYS A 78 6.345 -19.869 9.126 1.00 21.14 H new ATOM 0 HE2 LYS A 78 8.385 -19.537 10.024 1.00 13.00 H new ATOM 0 HE3 LYS A 78 8.586 -18.174 8.942 1.00 13.00 H new ATOM 0 HZ1 LYS A 78 8.936 -17.531 11.236 1.00 5.35 H new ATOM 0 HZ2 LYS A 78 7.573 -16.733 10.613 1.00 5.35 H new ATOM 0 HZ3 LYS A 78 7.378 -18.054 11.661 1.00 5.35 H new ATOM 1201 N GLU A 79 6.326 -15.885 5.796 1.00 10.31 N ATOM 1202 CA GLU A 79 6.770 -14.498 5.722 1.00 42.20 C ATOM 1203 C GLU A 79 6.224 -13.818 4.470 1.00 73.22 C ATOM 1204 O GLU A 79 5.647 -12.733 4.542 1.00 40.22 O ATOM 1205 CB GLU A 79 8.298 -14.428 5.728 1.00 64.11 C ATOM 1206 CG GLU A 79 8.918 -14.758 7.075 1.00 53.04 C ATOM 1207 CD GLU A 79 9.888 -13.693 7.548 1.00 34.53 C ATOM 1208 OE1 GLU A 79 9.673 -13.140 8.647 1.00 74.42 O ATOM 1209 OE2 GLU A 79 10.863 -13.413 6.819 1.00 11.03 O ATOM 0 H GLU A 79 7.080 -16.571 5.780 1.00 10.31 H new ATOM 0 HA GLU A 79 6.386 -13.973 6.597 1.00 42.20 H new ATOM 0 HB2 GLU A 79 8.688 -15.118 4.980 1.00 64.11 H new ATOM 0 HB3 GLU A 79 8.608 -13.426 5.430 1.00 64.11 H new ATOM 0 HG2 GLU A 79 8.127 -14.878 7.815 1.00 53.04 H new ATOM 0 HG3 GLU A 79 9.438 -15.713 7.007 1.00 53.04 H new ATOM 1216 N ILE A 80 6.409 -14.465 3.323 1.00 15.41 N ATOM 1217 CA ILE A 80 5.935 -13.923 2.056 1.00 40.04 C ATOM 1218 C ILE A 80 4.416 -13.792 2.048 1.00 12.12 C ATOM 1219 O ILE A 80 3.877 -12.716 1.789 1.00 12.32 O ATOM 1220 CB ILE A 80 6.369 -14.805 0.870 1.00 54.52 C ATOM 1221 CG1 ILE A 80 7.894 -14.929 0.830 1.00 71.55 C ATOM 1222 CG2 ILE A 80 5.844 -14.230 -0.437 1.00 4.32 C ATOM 1223 CD1 ILE A 80 8.390 -15.944 -0.176 1.00 25.25 C ATOM 0 H ILE A 80 6.884 -15.365 3.246 1.00 15.41 H new ATOM 0 HA ILE A 80 6.383 -12.935 1.948 1.00 40.04 H new ATOM 0 HB ILE A 80 5.946 -15.801 1.002 1.00 54.52 H new ATOM 0 HG12 ILE A 80 8.324 -13.955 0.594 1.00 71.55 H new ATOM 0 HG13 ILE A 80 8.254 -15.205 1.821 1.00 71.55 H new ATOM 0 HG21 ILE A 80 6.159 -14.864 -1.266 1.00 4.32 H new ATOM 0 HG22 ILE A 80 4.755 -14.189 -0.405 1.00 4.32 H new ATOM 0 HG23 ILE A 80 6.241 -13.225 -0.578 1.00 4.32 H new ATOM 0 HD11 ILE A 80 9.479 -15.979 -0.150 1.00 25.25 H new ATOM 0 HD12 ILE A 80 7.989 -16.927 0.071 1.00 25.25 H new ATOM 0 HD13 ILE A 80 8.060 -15.658 -1.175 1.00 25.25 H new ATOM 1235 N ASP A 81 3.731 -14.893 2.337 1.00 20.34 N ATOM 1236 CA ASP A 81 2.273 -14.902 2.366 1.00 1.11 C ATOM 1237 C ASP A 81 1.741 -13.781 3.255 1.00 24.35 C ATOM 1238 O ASP A 81 0.667 -13.236 3.006 1.00 64.01 O ATOM 1239 CB ASP A 81 1.759 -16.252 2.865 1.00 74.42 C ATOM 1240 CG ASP A 81 0.272 -16.236 3.154 1.00 40.33 C ATOM 1241 OD1 ASP A 81 -0.497 -15.765 2.289 1.00 1.32 O ATOM 1242 OD2 ASP A 81 -0.126 -16.694 4.246 1.00 40.01 O ATOM 0 H ASP A 81 4.162 -15.791 2.555 1.00 20.34 H new ATOM 0 HA ASP A 81 1.913 -14.739 1.350 1.00 1.11 H new ATOM 0 HB2 ASP A 81 1.972 -17.017 2.118 1.00 74.42 H new ATOM 0 HB3 ASP A 81 2.299 -16.531 3.770 1.00 74.42 H new ATOM 1247 N MET A 82 2.501 -13.445 4.293 1.00 70.44 N ATOM 1248 CA MET A 82 2.105 -12.390 5.218 1.00 14.43 C ATOM 1249 C MET A 82 2.138 -11.027 4.535 1.00 23.10 C ATOM 1250 O MET A 82 1.127 -10.329 4.475 1.00 43.33 O ATOM 1251 CB MET A 82 3.027 -12.382 6.440 1.00 61.44 C ATOM 1252 CG MET A 82 2.310 -12.701 7.743 1.00 23.25 C ATOM 1253 SD MET A 82 2.897 -14.228 8.503 1.00 45.31 S ATOM 1254 CE MET A 82 1.564 -15.348 8.083 1.00 22.54 C ATOM 0 H MET A 82 3.393 -13.888 4.514 1.00 70.44 H new ATOM 0 HA MET A 82 1.084 -12.590 5.542 1.00 14.43 H new ATOM 0 HB2 MET A 82 3.826 -13.107 6.287 1.00 61.44 H new ATOM 0 HB3 MET A 82 3.498 -11.402 6.524 1.00 61.44 H new ATOM 0 HG2 MET A 82 2.449 -11.876 8.441 1.00 23.25 H new ATOM 0 HG3 MET A 82 1.240 -12.782 7.554 1.00 23.25 H new ATOM 0 HE1 MET A 82 1.780 -16.338 8.485 1.00 22.54 H new ATOM 0 HE2 MET A 82 0.631 -14.979 8.509 1.00 22.54 H new ATOM 0 HE3 MET A 82 1.468 -15.409 6.999 1.00 22.54 H new ATOM 1264 N ALA A 83 3.305 -10.655 4.021 1.00 65.10 N ATOM 1265 CA ALA A 83 3.468 -9.376 3.340 1.00 24.12 C ATOM 1266 C ALA A 83 2.402 -9.186 2.266 1.00 75.11 C ATOM 1267 O ALA A 83 1.988 -8.062 1.982 1.00 71.12 O ATOM 1268 CB ALA A 83 4.859 -9.277 2.730 1.00 43.32 C ATOM 0 H ALA A 83 4.152 -11.221 4.063 1.00 65.10 H new ATOM 0 HA ALA A 83 3.349 -8.582 4.077 1.00 24.12 H new ATOM 0 HB1 ALA A 83 4.967 -8.317 2.225 1.00 43.32 H new ATOM 0 HB2 ALA A 83 5.608 -9.359 3.517 1.00 43.32 H new ATOM 0 HB3 ALA A 83 4.999 -10.084 2.010 1.00 43.32 H new ATOM 1274 N ILE A 84 1.963 -10.291 1.674 1.00 72.54 N ATOM 1275 CA ILE A 84 0.945 -10.245 0.632 1.00 60.43 C ATOM 1276 C ILE A 84 -0.407 -9.827 1.202 1.00 25.13 C ATOM 1277 O ILE A 84 -0.974 -8.811 0.800 1.00 24.34 O ATOM 1278 CB ILE A 84 0.794 -11.609 -0.069 1.00 54.14 C ATOM 1279 CG1 ILE A 84 2.122 -12.032 -0.701 1.00 52.14 C ATOM 1280 CG2 ILE A 84 -0.303 -11.546 -1.121 1.00 40.10 C ATOM 1281 CD1 ILE A 84 2.240 -13.525 -0.916 1.00 11.21 C ATOM 0 H ILE A 84 2.296 -11.229 1.898 1.00 72.54 H new ATOM 0 HA ILE A 84 1.274 -9.505 -0.098 1.00 60.43 H new ATOM 0 HB ILE A 84 0.514 -12.354 0.676 1.00 54.14 H new ATOM 0 HG12 ILE A 84 2.237 -11.525 -1.659 1.00 52.14 H new ATOM 0 HG13 ILE A 84 2.941 -11.699 -0.063 1.00 52.14 H new ATOM 0 HG21 ILE A 84 -0.397 -12.517 -1.607 1.00 40.10 H new ATOM 0 HG22 ILE A 84 -1.248 -11.285 -0.646 1.00 40.10 H new ATOM 0 HG23 ILE A 84 -0.050 -10.791 -1.865 1.00 40.10 H new ATOM 0 HD11 ILE A 84 3.206 -13.752 -1.367 1.00 11.21 H new ATOM 0 HD12 ILE A 84 2.157 -14.038 0.042 1.00 11.21 H new ATOM 0 HD13 ILE A 84 1.442 -13.861 -1.578 1.00 11.21 H new ATOM 1293 N VAL A 85 -0.917 -10.617 2.141 1.00 42.11 N ATOM 1294 CA VAL A 85 -2.200 -10.327 2.769 1.00 62.53 C ATOM 1295 C VAL A 85 -2.192 -8.953 3.428 1.00 13.20 C ATOM 1296 O VAL A 85 -3.242 -8.342 3.631 1.00 34.43 O ATOM 1297 CB VAL A 85 -2.561 -11.389 3.824 1.00 72.32 C ATOM 1298 CG1 VAL A 85 -2.695 -12.761 3.179 1.00 5.13 C ATOM 1299 CG2 VAL A 85 -1.520 -11.413 4.933 1.00 40.21 C ATOM 0 H VAL A 85 -0.461 -11.463 2.484 1.00 42.11 H new ATOM 0 HA VAL A 85 -2.950 -10.342 1.978 1.00 62.53 H new ATOM 0 HB VAL A 85 -3.523 -11.125 4.264 1.00 72.32 H new ATOM 0 HG11 VAL A 85 -2.950 -13.498 3.941 1.00 5.13 H new ATOM 0 HG12 VAL A 85 -3.480 -12.733 2.424 1.00 5.13 H new ATOM 0 HG13 VAL A 85 -1.750 -13.036 2.710 1.00 5.13 H new ATOM 0 HG21 VAL A 85 -1.791 -12.169 5.670 1.00 40.21 H new ATOM 0 HG22 VAL A 85 -0.544 -11.651 4.511 1.00 40.21 H new ATOM 0 HG23 VAL A 85 -1.478 -10.436 5.414 1.00 40.21 H new ATOM 1309 N THR A 86 -0.999 -8.471 3.763 1.00 22.05 N ATOM 1310 CA THR A 86 -0.852 -7.168 4.401 1.00 51.13 C ATOM 1311 C THR A 86 -1.147 -6.039 3.420 1.00 32.24 C ATOM 1312 O THR A 86 -2.004 -5.191 3.673 1.00 24.23 O ATOM 1313 CB THR A 86 0.565 -6.979 4.973 1.00 1.22 C ATOM 1314 OG1 THR A 86 0.917 -8.100 5.792 1.00 61.43 O ATOM 1315 CG2 THR A 86 0.652 -5.700 5.792 1.00 44.02 C ATOM 0 H THR A 86 -0.120 -8.964 3.603 1.00 22.05 H new ATOM 0 HA THR A 86 -1.573 -7.133 5.218 1.00 51.13 H new ATOM 0 HB THR A 86 1.262 -6.906 4.138 1.00 1.22 H new ATOM 0 HG1 THR A 86 1.226 -8.836 5.224 1.00 61.43 H new ATOM 0 HG21 THR A 86 1.662 -5.588 6.186 1.00 44.02 H new ATOM 0 HG22 THR A 86 0.413 -4.846 5.159 1.00 44.02 H new ATOM 0 HG23 THR A 86 -0.056 -5.749 6.619 1.00 44.02 H new ATOM 1323 N LEU A 87 -0.434 -6.034 2.299 1.00 21.13 N ATOM 1324 CA LEU A 87 -0.619 -5.009 1.279 1.00 1.10 C ATOM 1325 C LEU A 87 -2.010 -5.103 0.658 1.00 34.04 C ATOM 1326 O LEU A 87 -2.516 -4.134 0.093 1.00 24.13 O ATOM 1327 CB LEU A 87 0.447 -5.145 0.190 1.00 13.02 C ATOM 1328 CG LEU A 87 1.860 -4.703 0.576 1.00 72.15 C ATOM 1329 CD1 LEU A 87 2.865 -5.156 -0.472 1.00 30.12 C ATOM 1330 CD2 LEU A 87 1.916 -3.193 0.754 1.00 63.14 C ATOM 0 H LEU A 87 0.278 -6.729 2.074 1.00 21.13 H new ATOM 0 HA LEU A 87 -0.519 -4.035 1.757 1.00 1.10 H new ATOM 0 HB2 LEU A 87 0.487 -6.188 -0.123 1.00 13.02 H new ATOM 0 HB3 LEU A 87 0.130 -4.564 -0.676 1.00 13.02 H new ATOM 0 HG LEU A 87 2.120 -5.170 1.526 1.00 72.15 H new ATOM 0 HD11 LEU A 87 3.865 -4.833 -0.181 1.00 30.12 H new ATOM 0 HD12 LEU A 87 2.844 -6.243 -0.551 1.00 30.12 H new ATOM 0 HD13 LEU A 87 2.608 -4.717 -1.436 1.00 30.12 H new ATOM 0 HD21 LEU A 87 2.928 -2.896 1.028 1.00 63.14 H new ATOM 0 HD22 LEU A 87 1.636 -2.706 -0.180 1.00 63.14 H new ATOM 0 HD23 LEU A 87 1.224 -2.894 1.541 1.00 63.14 H new ATOM 1342 N LYS A 88 -2.623 -6.275 0.771 1.00 75.10 N ATOM 1343 CA LYS A 88 -3.957 -6.498 0.226 1.00 44.01 C ATOM 1344 C LYS A 88 -5.012 -5.770 1.053 1.00 34.21 C ATOM 1345 O LYS A 88 -5.682 -4.861 0.564 1.00 3.14 O ATOM 1346 CB LYS A 88 -4.271 -7.994 0.182 1.00 32.13 C ATOM 1347 CG LYS A 88 -4.661 -8.494 -1.198 1.00 71.21 C ATOM 1348 CD LYS A 88 -3.976 -9.810 -1.529 1.00 12.20 C ATOM 1349 CE LYS A 88 -4.206 -10.209 -2.979 1.00 54.51 C ATOM 1350 NZ LYS A 88 -3.732 -11.593 -3.255 1.00 35.05 N ATOM 0 H LYS A 88 -2.217 -7.087 1.236 1.00 75.10 H new ATOM 0 HA LYS A 88 -3.977 -6.100 -0.789 1.00 44.01 H new ATOM 0 HB2 LYS A 88 -3.399 -8.550 0.528 1.00 32.13 H new ATOM 0 HB3 LYS A 88 -5.082 -8.207 0.879 1.00 32.13 H new ATOM 0 HG2 LYS A 88 -5.742 -8.623 -1.247 1.00 71.21 H new ATOM 0 HG3 LYS A 88 -4.395 -7.746 -1.945 1.00 71.21 H new ATOM 0 HD2 LYS A 88 -2.906 -9.722 -1.340 1.00 12.20 H new ATOM 0 HD3 LYS A 88 -4.353 -10.593 -0.871 1.00 12.20 H new ATOM 0 HE2 LYS A 88 -5.268 -10.136 -3.212 1.00 54.51 H new ATOM 0 HE3 LYS A 88 -3.687 -9.510 -3.635 1.00 54.51 H new ATOM 0 HZ1 LYS A 88 -3.410 -11.659 -4.242 1.00 35.05 H new ATOM 0 HZ2 LYS A 88 -2.944 -11.824 -2.617 1.00 35.05 H new ATOM 0 HZ3 LYS A 88 -4.511 -12.264 -3.099 1.00 35.05 H new ATOM 1364 N VAL A 89 -5.153 -6.175 2.311 1.00 32.41 N ATOM 1365 CA VAL A 89 -6.125 -5.560 3.208 1.00 31.54 C ATOM 1366 C VAL A 89 -5.949 -4.046 3.253 1.00 34.40 C ATOM 1367 O VAL A 89 -6.927 -3.298 3.270 1.00 61.30 O ATOM 1368 CB VAL A 89 -6.003 -6.122 4.638 1.00 62.45 C ATOM 1369 CG1 VAL A 89 -4.583 -5.962 5.156 1.00 24.44 C ATOM 1370 CG2 VAL A 89 -6.998 -5.440 5.564 1.00 62.32 C ATOM 0 H VAL A 89 -4.607 -6.926 2.732 1.00 32.41 H new ATOM 0 HA VAL A 89 -7.114 -5.797 2.815 1.00 31.54 H new ATOM 0 HB VAL A 89 -6.236 -7.187 4.613 1.00 62.45 H new ATOM 0 HG11 VAL A 89 -4.517 -6.365 6.167 1.00 24.44 H new ATOM 0 HG12 VAL A 89 -3.895 -6.502 4.505 1.00 24.44 H new ATOM 0 HG13 VAL A 89 -4.317 -4.905 5.168 1.00 24.44 H new ATOM 0 HG21 VAL A 89 -6.898 -5.849 6.570 1.00 62.32 H new ATOM 0 HG22 VAL A 89 -6.799 -4.369 5.586 1.00 62.32 H new ATOM 0 HG23 VAL A 89 -8.011 -5.613 5.201 1.00 62.32 H new ATOM 1380 N PHE A 90 -4.697 -3.601 3.272 1.00 62.24 N ATOM 1381 CA PHE A 90 -4.393 -2.176 3.314 1.00 52.54 C ATOM 1382 C PHE A 90 -4.827 -1.488 2.023 1.00 25.33 C ATOM 1383 O PHE A 90 -5.315 -0.359 2.042 1.00 74.25 O ATOM 1384 CB PHE A 90 -2.897 -1.959 3.544 1.00 22.33 C ATOM 1385 CG PHE A 90 -2.458 -0.537 3.338 1.00 2.23 C ATOM 1386 CD1 PHE A 90 -2.441 0.357 4.397 1.00 50.04 C ATOM 1387 CD2 PHE A 90 -2.063 -0.095 2.086 1.00 5.41 C ATOM 1388 CE1 PHE A 90 -2.039 1.667 4.211 1.00 35.30 C ATOM 1389 CE2 PHE A 90 -1.658 1.214 1.894 1.00 74.13 C ATOM 1390 CZ PHE A 90 -1.648 2.095 2.957 1.00 13.45 C ATOM 0 H PHE A 90 -3.877 -4.207 3.259 1.00 62.24 H new ATOM 0 HA PHE A 90 -4.948 -1.736 4.142 1.00 52.54 H new ATOM 0 HB2 PHE A 90 -2.646 -2.265 4.560 1.00 22.33 H new ATOM 0 HB3 PHE A 90 -2.336 -2.605 2.869 1.00 22.33 H new ATOM 0 HD1 PHE A 90 -2.745 0.027 5.379 1.00 50.04 H new ATOM 0 HD2 PHE A 90 -2.071 -0.780 1.251 1.00 5.41 H new ATOM 0 HE1 PHE A 90 -2.031 2.354 5.044 1.00 35.30 H new ATOM 0 HE2 PHE A 90 -1.350 1.546 0.914 1.00 74.13 H new ATOM 0 HZ PHE A 90 -1.335 3.118 2.808 1.00 13.45 H new ATOM 1400 N ALA A 91 -4.640 -2.177 0.902 1.00 63.55 N ATOM 1401 CA ALA A 91 -5.012 -1.634 -0.399 1.00 73.32 C ATOM 1402 C ALA A 91 -6.505 -1.327 -0.459 1.00 64.32 C ATOM 1403 O ALA A 91 -6.909 -0.232 -0.849 1.00 30.14 O ATOM 1404 CB ALA A 91 -4.627 -2.605 -1.506 1.00 3.42 C ATOM 0 H ALA A 91 -4.233 -3.112 0.869 1.00 63.55 H new ATOM 0 HA ALA A 91 -4.469 -0.700 -0.544 1.00 73.32 H new ATOM 0 HB1 ALA A 91 -4.911 -2.187 -2.472 1.00 3.42 H new ATOM 0 HB2 ALA A 91 -3.550 -2.772 -1.485 1.00 3.42 H new ATOM 0 HB3 ALA A 91 -5.144 -3.553 -1.355 1.00 3.42 H new ATOM 1410 N VAL A 92 -7.322 -2.302 -0.071 1.00 1.24 N ATOM 1411 CA VAL A 92 -8.770 -2.135 -0.080 1.00 71.41 C ATOM 1412 C VAL A 92 -9.227 -1.230 1.058 1.00 12.24 C ATOM 1413 O VAL A 92 -10.088 -0.372 0.874 1.00 53.34 O ATOM 1414 CB VAL A 92 -9.492 -3.491 0.036 1.00 62.51 C ATOM 1415 CG1 VAL A 92 -9.084 -4.206 1.315 1.00 31.10 C ATOM 1416 CG2 VAL A 92 -10.999 -3.298 -0.020 1.00 43.14 C ATOM 0 H VAL A 92 -7.005 -3.216 0.253 1.00 1.24 H new ATOM 0 HA VAL A 92 -9.029 -1.674 -1.033 1.00 71.41 H new ATOM 0 HB VAL A 92 -9.197 -4.114 -0.809 1.00 62.51 H new ATOM 0 HG11 VAL A 92 -9.604 -5.162 1.379 1.00 31.10 H new ATOM 0 HG12 VAL A 92 -8.008 -4.378 1.308 1.00 31.10 H new ATOM 0 HG13 VAL A 92 -9.347 -3.591 2.176 1.00 31.10 H new ATOM 0 HG21 VAL A 92 -11.493 -4.266 0.063 1.00 43.14 H new ATOM 0 HG22 VAL A 92 -11.315 -2.657 0.803 1.00 43.14 H new ATOM 0 HG23 VAL A 92 -11.271 -2.832 -0.967 1.00 43.14 H new ATOM 1426 N ALA A 93 -8.642 -1.429 2.235 1.00 11.41 N ATOM 1427 CA ALA A 93 -8.986 -0.629 3.404 1.00 52.21 C ATOM 1428 C ALA A 93 -8.489 0.805 3.254 1.00 4.14 C ATOM 1429 O ALA A 93 -8.848 1.683 4.038 1.00 64.15 O ATOM 1430 CB ALA A 93 -8.412 -1.260 4.664 1.00 4.34 C ATOM 0 H ALA A 93 -7.928 -2.137 2.404 1.00 11.41 H new ATOM 0 HA ALA A 93 -10.072 -0.602 3.488 1.00 52.21 H new ATOM 0 HB1 ALA A 93 -8.677 -0.652 5.529 1.00 4.34 H new ATOM 0 HB2 ALA A 93 -8.820 -2.263 4.787 1.00 4.34 H new ATOM 0 HB3 ALA A 93 -7.327 -1.318 4.580 1.00 4.34 H new ATOM 1436 N GLY A 94 -7.659 1.036 2.241 1.00 32.03 N ATOM 1437 CA GLY A 94 -7.125 2.365 2.007 1.00 32.21 C ATOM 1438 C GLY A 94 -7.683 3.002 0.750 1.00 54.54 C ATOM 1439 O GLY A 94 -8.407 3.997 0.819 1.00 64.31 O ATOM 0 H GLY A 94 -7.347 0.326 1.578 1.00 32.03 H new ATOM 0 HA2 GLY A 94 -7.352 3.000 2.863 1.00 32.21 H new ATOM 0 HA3 GLY A 94 -6.039 2.308 1.930 1.00 32.21 H new ATOM 1443 N LEU A 95 -7.349 2.429 -0.400 1.00 53.12 N ATOM 1444 CA LEU A 95 -7.821 2.948 -1.679 1.00 2.03 C ATOM 1445 C LEU A 95 -9.341 2.856 -1.776 1.00 4.30 C ATOM 1446 O LEU A 95 -9.979 3.653 -2.466 1.00 21.21 O ATOM 1447 CB LEU A 95 -7.178 2.178 -2.833 1.00 44.20 C ATOM 1448 CG LEU A 95 -5.693 2.451 -3.077 1.00 42.23 C ATOM 1449 CD1 LEU A 95 -5.428 3.948 -3.137 1.00 51.43 C ATOM 1450 CD2 LEU A 95 -4.846 1.800 -1.995 1.00 13.23 C ATOM 0 H LEU A 95 -6.753 1.605 -0.474 1.00 53.12 H new ATOM 0 HA LEU A 95 -7.533 3.997 -1.746 1.00 2.03 H new ATOM 0 HB2 LEU A 95 -7.305 1.111 -2.647 1.00 44.20 H new ATOM 0 HB3 LEU A 95 -7.725 2.410 -3.747 1.00 44.20 H new ATOM 0 HG LEU A 95 -5.416 2.015 -4.037 1.00 42.23 H new ATOM 0 HD11 LEU A 95 -4.366 4.123 -3.311 1.00 51.43 H new ATOM 0 HD12 LEU A 95 -6.006 4.388 -3.950 1.00 51.43 H new ATOM 0 HD13 LEU A 95 -5.721 4.408 -2.193 1.00 51.43 H new ATOM 0 HD21 LEU A 95 -3.792 2.005 -2.185 1.00 13.23 H new ATOM 0 HD22 LEU A 95 -5.125 2.205 -1.022 1.00 13.23 H new ATOM 0 HD23 LEU A 95 -5.013 0.723 -2.001 1.00 13.23 H new ATOM 1462 N LEU A 96 -9.915 1.882 -1.080 1.00 0.45 N ATOM 1463 CA LEU A 96 -11.360 1.687 -1.085 1.00 44.23 C ATOM 1464 C LEU A 96 -11.966 2.062 0.264 1.00 35.21 C ATOM 1465 O LEU A 96 -13.168 1.916 0.478 1.00 53.04 O ATOM 1466 CB LEU A 96 -11.698 0.234 -1.424 1.00 11.31 C ATOM 1467 CG LEU A 96 -12.422 0.006 -2.750 1.00 74.23 C ATOM 1468 CD1 LEU A 96 -11.439 0.045 -3.909 1.00 43.14 C ATOM 1469 CD2 LEU A 96 -13.170 -1.321 -2.728 1.00 1.44 C ATOM 0 H LEU A 96 -9.402 1.214 -0.505 1.00 0.45 H new ATOM 0 HA LEU A 96 -11.787 2.339 -1.847 1.00 44.23 H new ATOM 0 HB2 LEU A 96 -10.772 -0.340 -1.435 1.00 11.31 H new ATOM 0 HB3 LEU A 96 -12.315 -0.171 -0.622 1.00 11.31 H new ATOM 0 HG LEU A 96 -13.147 0.808 -2.888 1.00 74.23 H new ATOM 0 HD11 LEU A 96 -11.973 -0.119 -4.845 1.00 43.14 H new ATOM 0 HD12 LEU A 96 -10.948 1.018 -3.937 1.00 43.14 H new ATOM 0 HD13 LEU A 96 -10.690 -0.736 -3.777 1.00 43.14 H new ATOM 0 HD21 LEU A 96 -13.680 -1.467 -3.680 1.00 1.44 H new ATOM 0 HD22 LEU A 96 -12.463 -2.135 -2.566 1.00 1.44 H new ATOM 0 HD23 LEU A 96 -13.903 -1.312 -1.922 1.00 1.44 H new ATOM 1481 N ASN A 97 -11.123 2.545 1.171 1.00 32.45 N ATOM 1482 CA ASN A 97 -11.575 2.941 2.500 1.00 10.31 C ATOM 1483 C ASN A 97 -12.396 1.831 3.149 1.00 15.33 C ATOM 1484 O ASN A 97 -13.298 2.096 3.942 1.00 14.33 O ATOM 1485 CB ASN A 97 -12.406 4.223 2.418 1.00 22.24 C ATOM 1486 CG ASN A 97 -11.605 5.398 1.888 1.00 53.55 C ATOM 1487 OD1 ASN A 97 -10.687 5.885 2.548 1.00 0.15 O ATOM 1488 ND2 ASN A 97 -11.951 5.859 0.693 1.00 42.44 N ATOM 0 H ASN A 97 -10.124 2.672 1.010 1.00 32.45 H new ATOM 0 HA ASN A 97 -10.695 3.125 3.116 1.00 10.31 H new ATOM 0 HB2 ASN A 97 -13.268 4.054 1.773 1.00 22.24 H new ATOM 0 HB3 ASN A 97 -12.792 4.467 3.408 1.00 22.24 H new ATOM 0 HD21 ASN A 97 -11.449 6.648 0.286 1.00 42.44 H new ATOM 0 HD22 ASN A 97 -12.719 5.424 0.181 1.00 42.44 H new ATOM 1495 N MET A 98 -12.075 0.588 2.807 1.00 24.54 N ATOM 1496 CA MET A 98 -12.780 -0.563 3.358 1.00 42.22 C ATOM 1497 C MET A 98 -12.351 -0.826 4.797 1.00 55.02 C ATOM 1498 O MET A 98 -11.420 -0.199 5.304 1.00 63.10 O ATOM 1499 CB MET A 98 -12.522 -1.804 2.501 1.00 55.20 C ATOM 1500 CG MET A 98 -13.559 -2.015 1.410 1.00 62.21 C ATOM 1501 SD MET A 98 -14.208 -3.697 1.383 1.00 35.51 S ATOM 1502 CE MET A 98 -15.591 -3.509 0.262 1.00 40.53 C ATOM 0 H MET A 98 -11.331 0.352 2.151 1.00 24.54 H new ATOM 0 HA MET A 98 -13.847 -0.341 3.351 1.00 42.22 H new ATOM 0 HB2 MET A 98 -11.536 -1.721 2.043 1.00 55.20 H new ATOM 0 HB3 MET A 98 -12.501 -2.683 3.146 1.00 55.20 H new ATOM 0 HG2 MET A 98 -14.382 -1.315 1.556 1.00 62.21 H new ATOM 0 HG3 MET A 98 -13.114 -1.786 0.442 1.00 62.21 H new ATOM 0 HE1 MET A 98 -16.052 -4.481 0.087 1.00 40.53 H new ATOM 0 HE2 MET A 98 -16.325 -2.833 0.700 1.00 40.53 H new ATOM 0 HE3 MET A 98 -15.239 -3.099 -0.685 1.00 40.53 H new ATOM 1512 N THR A 99 -13.036 -1.757 5.454 1.00 40.34 N ATOM 1513 CA THR A 99 -12.728 -2.102 6.836 1.00 11.42 C ATOM 1514 C THR A 99 -13.029 -3.569 7.117 1.00 11.22 C ATOM 1515 O THR A 99 -13.921 -3.891 7.902 1.00 64.45 O ATOM 1516 CB THR A 99 -13.523 -1.227 7.825 1.00 50.11 C ATOM 1517 OG1 THR A 99 -14.901 -1.181 7.438 1.00 72.12 O ATOM 1518 CG2 THR A 99 -12.957 0.184 7.875 1.00 33.12 C ATOM 0 H THR A 99 -13.809 -2.286 5.050 1.00 40.34 H new ATOM 0 HA THR A 99 -11.663 -1.920 6.977 1.00 11.42 H new ATOM 0 HB THR A 99 -13.439 -1.670 8.818 1.00 50.11 H new ATOM 0 HG1 THR A 99 -15.265 -2.091 7.416 1.00 72.12 H new ATOM 0 HG21 THR A 99 -13.534 0.783 8.580 1.00 33.12 H new ATOM 0 HG22 THR A 99 -11.916 0.147 8.197 1.00 33.12 H new ATOM 0 HG23 THR A 99 -13.014 0.634 6.884 1.00 33.12 H new ATOM 1526 N VAL A 100 -12.277 -4.456 6.474 1.00 62.11 N ATOM 1527 CA VAL A 100 -12.462 -5.891 6.656 1.00 54.33 C ATOM 1528 C VAL A 100 -12.264 -6.289 8.114 1.00 35.53 C ATOM 1529 O VAL A 100 -12.098 -5.436 8.985 1.00 11.53 O ATOM 1530 CB VAL A 100 -11.489 -6.699 5.777 1.00 1.41 C ATOM 1531 CG1 VAL A 100 -11.640 -6.309 4.315 1.00 2.11 C ATOM 1532 CG2 VAL A 100 -10.056 -6.497 6.246 1.00 11.33 C ATOM 0 H VAL A 100 -11.533 -4.206 5.822 1.00 62.11 H new ATOM 0 HA VAL A 100 -13.485 -6.119 6.356 1.00 54.33 H new ATOM 0 HB VAL A 100 -11.733 -7.757 5.872 1.00 1.41 H new ATOM 0 HG11 VAL A 100 -10.944 -6.890 3.710 1.00 2.11 H new ATOM 0 HG12 VAL A 100 -12.660 -6.509 3.988 1.00 2.11 H new ATOM 0 HG13 VAL A 100 -11.423 -5.247 4.197 1.00 2.11 H new ATOM 0 HG21 VAL A 100 -9.382 -7.075 5.614 1.00 11.33 H new ATOM 0 HG22 VAL A 100 -9.798 -5.440 6.181 1.00 11.33 H new ATOM 0 HG23 VAL A 100 -9.961 -6.831 7.279 1.00 11.33 H new ATOM 1542 N SER A 101 -12.281 -7.593 8.373 1.00 33.11 N ATOM 1543 CA SER A 101 -12.106 -8.106 9.728 1.00 44.31 C ATOM 1544 C SER A 101 -10.738 -8.761 9.888 1.00 45.00 C ATOM 1545 O SER A 101 -10.132 -8.706 10.958 1.00 31.41 O ATOM 1546 CB SER A 101 -13.209 -9.113 10.060 1.00 61.41 C ATOM 1547 OG SER A 101 -14.489 -8.511 9.987 1.00 12.54 O ATOM 0 H SER A 101 -12.414 -8.313 7.663 1.00 33.11 H new ATOM 0 HA SER A 101 -12.170 -7.266 10.420 1.00 44.31 H new ATOM 0 HB2 SER A 101 -13.159 -9.953 9.367 1.00 61.41 H new ATOM 0 HB3 SER A 101 -13.049 -9.515 11.061 1.00 61.41 H new ATOM 0 HG SER A 101 -15.176 -9.176 10.202 1.00 12.54 H new ATOM 1553 N THR A 102 -10.255 -9.381 8.815 1.00 42.53 N ATOM 1554 CA THR A 102 -8.960 -10.047 8.836 1.00 24.40 C ATOM 1555 C THR A 102 -8.256 -9.920 7.489 1.00 20.03 C ATOM 1556 O THR A 102 -8.901 -9.814 6.447 1.00 52.45 O ATOM 1557 CB THR A 102 -9.102 -11.540 9.189 1.00 13.44 C ATOM 1558 OG1 THR A 102 -9.645 -12.257 8.076 1.00 35.31 O ATOM 1559 CG2 THR A 102 -9.998 -11.725 10.405 1.00 22.45 C ATOM 0 H THR A 102 -10.742 -9.435 7.921 1.00 42.53 H new ATOM 0 HA THR A 102 -8.363 -9.555 9.604 1.00 24.40 H new ATOM 0 HB THR A 102 -8.112 -11.931 9.424 1.00 13.44 H new ATOM 0 HG1 THR A 102 -10.163 -13.023 8.401 1.00 35.31 H new ATOM 0 HG21 THR A 102 -10.084 -12.787 10.636 1.00 22.45 H new ATOM 0 HG22 THR A 102 -9.566 -11.202 11.258 1.00 22.45 H new ATOM 0 HG23 THR A 102 -10.987 -11.319 10.193 1.00 22.45 H new ATOM 1567 N ALA A 103 -6.927 -9.934 7.519 1.00 0.24 N ATOM 1568 CA ALA A 103 -6.135 -9.822 6.300 1.00 30.33 C ATOM 1569 C ALA A 103 -6.580 -10.846 5.261 1.00 21.50 C ATOM 1570 O ALA A 103 -6.616 -10.555 4.066 1.00 30.14 O ATOM 1571 CB ALA A 103 -4.655 -9.996 6.614 1.00 54.34 C ATOM 0 H ALA A 103 -6.377 -10.022 8.373 1.00 0.24 H new ATOM 0 HA ALA A 103 -6.293 -8.827 5.884 1.00 30.33 H new ATOM 0 HB1 ALA A 103 -4.075 -9.910 5.695 1.00 54.34 H new ATOM 0 HB2 ALA A 103 -4.339 -9.224 7.316 1.00 54.34 H new ATOM 0 HB3 ALA A 103 -4.490 -10.978 7.056 1.00 54.34 H new ATOM 1577 N ALA A 104 -6.917 -12.045 5.725 1.00 30.11 N ATOM 1578 CA ALA A 104 -7.361 -13.111 4.836 1.00 70.13 C ATOM 1579 C ALA A 104 -8.649 -12.725 4.116 1.00 14.32 C ATOM 1580 O ALA A 104 -8.725 -12.772 2.889 1.00 34.22 O ATOM 1581 CB ALA A 104 -7.556 -14.402 5.616 1.00 72.41 C ATOM 0 H ALA A 104 -6.891 -12.302 6.712 1.00 30.11 H new ATOM 0 HA ALA A 104 -6.588 -13.268 4.083 1.00 70.13 H new ATOM 0 HB1 ALA A 104 -7.888 -15.189 4.939 1.00 72.41 H new ATOM 0 HB2 ALA A 104 -6.613 -14.694 6.078 1.00 72.41 H new ATOM 0 HB3 ALA A 104 -8.307 -14.249 6.391 1.00 72.41 H new ATOM 1587 N ALA A 105 -9.661 -12.345 4.890 1.00 73.02 N ATOM 1588 CA ALA A 105 -10.946 -11.950 4.326 1.00 51.22 C ATOM 1589 C ALA A 105 -10.771 -10.879 3.255 1.00 22.04 C ATOM 1590 O ALA A 105 -11.485 -10.866 2.253 1.00 15.51 O ATOM 1591 CB ALA A 105 -11.874 -11.453 5.425 1.00 14.34 C ATOM 0 H ALA A 105 -9.616 -12.302 5.908 1.00 73.02 H new ATOM 0 HA ALA A 105 -11.393 -12.826 3.856 1.00 51.22 H new ATOM 0 HB1 ALA A 105 -12.830 -11.161 4.990 1.00 14.34 H new ATOM 0 HB2 ALA A 105 -12.034 -12.248 6.153 1.00 14.34 H new ATOM 0 HB3 ALA A 105 -11.423 -10.593 5.920 1.00 14.34 H new ATOM 1597 N ALA A 106 -9.814 -9.982 3.474 1.00 43.24 N ATOM 1598 CA ALA A 106 -9.544 -8.908 2.526 1.00 42.44 C ATOM 1599 C ALA A 106 -9.072 -9.463 1.187 1.00 32.22 C ATOM 1600 O ALA A 106 -9.648 -9.162 0.143 1.00 62.13 O ATOM 1601 CB ALA A 106 -8.511 -7.948 3.097 1.00 24.42 C ATOM 0 H ALA A 106 -9.214 -9.978 4.299 1.00 43.24 H new ATOM 0 HA ALA A 106 -10.473 -8.364 2.356 1.00 42.44 H new ATOM 0 HB1 ALA A 106 -8.319 -7.151 2.379 1.00 24.42 H new ATOM 0 HB2 ALA A 106 -8.888 -7.517 4.025 1.00 24.42 H new ATOM 0 HB3 ALA A 106 -7.585 -8.487 3.297 1.00 24.42 H new ATOM 1607 N GLU A 107 -8.019 -10.275 1.226 1.00 43.03 N ATOM 1608 CA GLU A 107 -7.470 -10.870 0.014 1.00 11.21 C ATOM 1609 C GLU A 107 -8.561 -11.567 -0.794 1.00 55.31 C ATOM 1610 O GLU A 107 -8.561 -11.525 -2.023 1.00 24.03 O ATOM 1611 CB GLU A 107 -6.364 -11.868 0.366 1.00 63.11 C ATOM 1612 CG GLU A 107 -5.890 -12.693 -0.819 1.00 31.11 C ATOM 1613 CD GLU A 107 -6.399 -14.121 -0.777 1.00 44.32 C ATOM 1614 OE1 GLU A 107 -7.633 -14.308 -0.724 1.00 5.50 O ATOM 1615 OE2 GLU A 107 -5.566 -15.050 -0.797 1.00 43.12 O ATOM 0 H GLU A 107 -7.530 -10.535 2.083 1.00 43.03 H new ATOM 0 HA GLU A 107 -7.048 -10.070 -0.594 1.00 11.21 H new ATOM 0 HB2 GLU A 107 -5.516 -11.325 0.783 1.00 63.11 H new ATOM 0 HB3 GLU A 107 -6.726 -12.540 1.144 1.00 63.11 H new ATOM 0 HG2 GLU A 107 -6.223 -12.220 -1.743 1.00 31.11 H new ATOM 0 HG3 GLU A 107 -4.800 -12.700 -0.839 1.00 31.11 H new ATOM 1622 N ASN A 108 -9.490 -12.207 -0.092 1.00 14.15 N ATOM 1623 CA ASN A 108 -10.587 -12.914 -0.743 1.00 35.21 C ATOM 1624 C ASN A 108 -11.463 -11.949 -1.535 1.00 32.03 C ATOM 1625 O ASN A 108 -11.738 -12.170 -2.714 1.00 71.24 O ATOM 1626 CB ASN A 108 -11.434 -13.653 0.297 1.00 12.15 C ATOM 1627 CG ASN A 108 -12.487 -14.538 -0.339 1.00 53.42 C ATOM 1628 OD1 ASN A 108 -13.679 -14.230 -0.300 1.00 73.33 O ATOM 1629 ND2 ASN A 108 -12.053 -15.645 -0.930 1.00 32.40 N ATOM 0 H ASN A 108 -9.505 -12.251 0.927 1.00 14.15 H new ATOM 0 HA ASN A 108 -10.158 -13.639 -1.435 1.00 35.21 H new ATOM 0 HB2 ASN A 108 -10.784 -14.261 0.926 1.00 12.15 H new ATOM 0 HB3 ASN A 108 -11.919 -12.927 0.949 1.00 12.15 H new ATOM 0 HD21 ASN A 108 -12.716 -16.279 -1.375 1.00 32.40 H new ATOM 0 HD22 ASN A 108 -11.056 -15.861 -0.939 1.00 32.40 H new ATOM 1636 N MET A 109 -11.897 -10.878 -0.878 1.00 65.41 N ATOM 1637 CA MET A 109 -12.740 -9.877 -1.523 1.00 20.31 C ATOM 1638 C MET A 109 -12.029 -9.257 -2.721 1.00 3.33 C ATOM 1639 O MET A 109 -12.666 -8.862 -3.697 1.00 5.11 O ATOM 1640 CB MET A 109 -13.128 -8.787 -0.523 1.00 1.53 C ATOM 1641 CG MET A 109 -14.036 -9.279 0.592 1.00 0.41 C ATOM 1642 SD MET A 109 -15.774 -9.302 0.113 1.00 2.01 S ATOM 1643 CE MET A 109 -16.565 -9.423 1.715 1.00 13.43 C ATOM 0 H MET A 109 -11.679 -10.681 0.099 1.00 65.41 H new ATOM 0 HA MET A 109 -13.644 -10.372 -1.878 1.00 20.31 H new ATOM 0 HB2 MET A 109 -12.222 -8.369 -0.084 1.00 1.53 H new ATOM 0 HB3 MET A 109 -13.627 -7.978 -1.056 1.00 1.53 H new ATOM 0 HG2 MET A 109 -13.731 -10.283 0.887 1.00 0.41 H new ATOM 0 HG3 MET A 109 -13.912 -8.639 1.465 1.00 0.41 H new ATOM 0 HE1 MET A 109 -17.647 -9.448 1.586 1.00 13.43 H new ATOM 0 HE2 MET A 109 -16.238 -10.335 2.214 1.00 13.43 H new ATOM 0 HE3 MET A 109 -16.292 -8.560 2.322 1.00 13.43 H new ATOM 1653 N TYR A 110 -10.705 -9.173 -2.639 1.00 44.41 N ATOM 1654 CA TYR A 110 -9.908 -8.597 -3.715 1.00 32.35 C ATOM 1655 C TYR A 110 -9.989 -9.457 -4.973 1.00 54.21 C ATOM 1656 O TYR A 110 -10.394 -8.985 -6.036 1.00 34.34 O ATOM 1657 CB TYR A 110 -8.449 -8.453 -3.277 1.00 50.52 C ATOM 1658 CG TYR A 110 -7.900 -7.054 -3.452 1.00 73.41 C ATOM 1659 CD1 TYR A 110 -8.576 -5.953 -2.941 1.00 44.15 C ATOM 1660 CD2 TYR A 110 -6.707 -6.835 -4.128 1.00 21.42 C ATOM 1661 CE1 TYR A 110 -8.079 -4.674 -3.100 1.00 11.01 C ATOM 1662 CE2 TYR A 110 -6.201 -5.560 -4.290 1.00 74.30 C ATOM 1663 CZ TYR A 110 -6.891 -4.483 -3.774 1.00 2.12 C ATOM 1664 OH TYR A 110 -6.391 -3.210 -3.934 1.00 65.55 O ATOM 0 H TYR A 110 -10.162 -9.497 -1.839 1.00 44.41 H new ATOM 0 HA TYR A 110 -10.312 -7.611 -3.943 1.00 32.35 H new ATOM 0 HB2 TYR A 110 -8.363 -8.740 -2.229 1.00 50.52 H new ATOM 0 HB3 TYR A 110 -7.836 -9.149 -3.849 1.00 50.52 H new ATOM 0 HD1 TYR A 110 -9.505 -6.100 -2.411 1.00 44.15 H new ATOM 0 HD2 TYR A 110 -6.165 -7.676 -4.534 1.00 21.42 H new ATOM 0 HE1 TYR A 110 -8.618 -3.828 -2.699 1.00 11.01 H new ATOM 0 HE2 TYR A 110 -5.271 -5.407 -4.817 1.00 74.30 H new ATOM 0 HH TYR A 110 -5.547 -3.250 -4.430 1.00 65.55 H new ATOM 1674 N SER A 111 -9.601 -10.721 -4.844 1.00 73.53 N ATOM 1675 CA SER A 111 -9.627 -11.648 -5.970 1.00 13.20 C ATOM 1676 C SER A 111 -11.058 -11.894 -6.438 1.00 44.22 C ATOM 1677 O SER A 111 -11.330 -11.937 -7.639 1.00 14.25 O ATOM 1678 CB SER A 111 -8.970 -12.973 -5.581 1.00 73.55 C ATOM 1679 OG SER A 111 -7.700 -12.761 -4.990 1.00 51.14 O ATOM 0 H SER A 111 -9.265 -11.127 -3.971 1.00 73.53 H new ATOM 0 HA SER A 111 -9.067 -11.200 -6.791 1.00 13.20 H new ATOM 0 HB2 SER A 111 -9.613 -13.510 -4.884 1.00 73.55 H new ATOM 0 HB3 SER A 111 -8.862 -13.602 -6.465 1.00 73.55 H new ATOM 0 HG SER A 111 -7.303 -13.624 -4.749 1.00 51.14 H new ATOM 1685 N GLN A 112 -11.968 -12.054 -5.484 1.00 13.42 N ATOM 1686 CA GLN A 112 -13.371 -12.296 -5.798 1.00 21.15 C ATOM 1687 C GLN A 112 -13.979 -11.101 -6.525 1.00 51.22 C ATOM 1688 O GLN A 112 -14.930 -11.249 -7.294 1.00 15.45 O ATOM 1689 CB GLN A 112 -14.159 -12.586 -4.520 1.00 42.22 C ATOM 1690 CG GLN A 112 -15.652 -12.755 -4.751 1.00 72.22 C ATOM 1691 CD GLN A 112 -16.259 -13.836 -3.878 1.00 32.51 C ATOM 1692 OE1 GLN A 112 -15.920 -13.961 -2.701 1.00 72.05 O ATOM 1693 NE2 GLN A 112 -17.161 -14.625 -4.451 1.00 4.40 N ATOM 0 H GLN A 112 -11.759 -12.020 -4.486 1.00 13.42 H new ATOM 0 HA GLN A 112 -13.426 -13.164 -6.455 1.00 21.15 H new ATOM 0 HB2 GLN A 112 -13.766 -13.492 -4.059 1.00 42.22 H new ATOM 0 HB3 GLN A 112 -13.999 -11.773 -3.812 1.00 42.22 H new ATOM 0 HG2 GLN A 112 -16.156 -11.809 -4.554 1.00 72.22 H new ATOM 0 HG3 GLN A 112 -15.828 -12.998 -5.799 1.00 72.22 H new ATOM 0 HE21 GLN A 112 -17.412 -14.486 -5.430 1.00 4.40 H new ATOM 0 HE22 GLN A 112 -17.602 -15.370 -3.912 1.00 4.40 H new ATOM 1702 N MET A 113 -13.425 -9.919 -6.277 1.00 62.24 N ATOM 1703 CA MET A 113 -13.914 -8.699 -6.909 1.00 61.31 C ATOM 1704 C MET A 113 -13.482 -8.633 -8.371 1.00 32.42 C ATOM 1705 O MET A 113 -14.114 -7.962 -9.185 1.00 64.34 O ATOM 1706 CB MET A 113 -13.401 -7.469 -6.159 1.00 12.22 C ATOM 1707 CG MET A 113 -14.360 -6.966 -5.091 1.00 45.31 C ATOM 1708 SD MET A 113 -13.616 -5.718 -4.022 1.00 22.34 S ATOM 1709 CE MET A 113 -15.017 -5.265 -3.003 1.00 63.15 C ATOM 0 H MET A 113 -12.638 -9.780 -5.643 1.00 62.24 H new ATOM 0 HA MET A 113 -15.003 -8.712 -6.870 1.00 61.31 H new ATOM 0 HB2 MET A 113 -12.445 -7.710 -5.694 1.00 12.22 H new ATOM 0 HB3 MET A 113 -13.214 -6.668 -6.875 1.00 12.22 H new ATOM 0 HG2 MET A 113 -15.245 -6.547 -5.571 1.00 45.31 H new ATOM 0 HG3 MET A 113 -14.695 -7.807 -4.483 1.00 45.31 H new ATOM 0 HE1 MET A 113 -14.921 -4.224 -2.695 1.00 63.15 H new ATOM 0 HE2 MET A 113 -15.937 -5.391 -3.573 1.00 63.15 H new ATOM 0 HE3 MET A 113 -15.046 -5.904 -2.120 1.00 63.15 H new ATOM 1719 N GLY A 114 -12.401 -9.335 -8.696 1.00 63.23 N ATOM 1720 CA GLY A 114 -11.903 -9.343 -10.060 1.00 12.50 C ATOM 1721 C GLY A 114 -10.535 -8.700 -10.181 1.00 74.23 C ATOM 1722 O GLY A 114 -10.131 -8.284 -11.267 1.00 4.33 O ATOM 0 H GLY A 114 -11.861 -9.899 -8.039 1.00 63.23 H new ATOM 0 HA2 GLY A 114 -11.851 -10.371 -10.419 1.00 12.50 H new ATOM 0 HA3 GLY A 114 -12.607 -8.816 -10.704 1.00 12.50 H new ATOM 1726 N LEU A 115 -9.821 -8.618 -9.063 1.00 45.41 N ATOM 1727 CA LEU A 115 -8.491 -8.019 -9.048 1.00 53.11 C ATOM 1728 C LEU A 115 -7.414 -9.081 -9.252 1.00 14.40 C ATOM 1729 O LEU A 115 -6.314 -8.781 -9.714 1.00 22.31 O ATOM 1730 CB LEU A 115 -8.255 -7.285 -7.727 1.00 42.24 C ATOM 1731 CG LEU A 115 -9.012 -5.967 -7.547 1.00 74.53 C ATOM 1732 CD1 LEU A 115 -10.358 -6.212 -6.882 1.00 13.41 C ATOM 1733 CD2 LEU A 115 -8.183 -4.984 -6.734 1.00 41.13 C ATOM 0 H LEU A 115 -10.141 -8.958 -8.156 1.00 45.41 H new ATOM 0 HA LEU A 115 -8.432 -7.304 -9.869 1.00 53.11 H new ATOM 0 HB2 LEU A 115 -8.528 -7.952 -6.910 1.00 42.24 H new ATOM 0 HB3 LEU A 115 -7.188 -7.084 -7.631 1.00 42.24 H new ATOM 0 HG LEU A 115 -9.190 -5.534 -8.531 1.00 74.53 H new ATOM 0 HD11 LEU A 115 -10.882 -5.264 -6.762 1.00 13.41 H new ATOM 0 HD12 LEU A 115 -10.954 -6.880 -7.503 1.00 13.41 H new ATOM 0 HD13 LEU A 115 -10.203 -6.667 -5.904 1.00 13.41 H new ATOM 0 HD21 LEU A 115 -8.736 -4.052 -6.616 1.00 41.13 H new ATOM 0 HD22 LEU A 115 -7.974 -5.409 -5.752 1.00 41.13 H new ATOM 0 HD23 LEU A 115 -7.244 -4.785 -7.251 1.00 41.13 H new ATOM 1745 N ASP A 116 -7.741 -10.321 -8.905 1.00 43.41 N ATOM 1746 CA ASP A 116 -6.803 -11.428 -9.053 1.00 62.22 C ATOM 1747 C ASP A 116 -7.462 -12.608 -9.760 1.00 61.21 C ATOM 1748 O ASP A 116 -6.912 -13.161 -10.713 1.00 20.13 O ATOM 1749 CB ASP A 116 -6.278 -11.866 -7.685 1.00 40.50 C ATOM 1750 CG ASP A 116 -4.764 -11.920 -7.636 1.00 73.23 C ATOM 1751 OD1 ASP A 116 -4.144 -12.160 -8.694 1.00 14.55 O ATOM 1752 OD2 ASP A 116 -4.199 -11.723 -6.540 1.00 42.11 O ATOM 0 H ASP A 116 -8.648 -10.585 -8.520 1.00 43.41 H new ATOM 0 HA ASP A 116 -5.967 -11.084 -9.661 1.00 62.22 H new ATOM 0 HB2 ASP A 116 -6.639 -11.176 -6.923 1.00 40.50 H new ATOM 0 HB3 ASP A 116 -6.682 -12.849 -7.442 1.00 40.50 H new ATOM 1757 N THR A 117 -8.645 -12.989 -9.288 1.00 34.04 N ATOM 1758 CA THR A 117 -9.378 -14.104 -9.873 1.00 35.04 C ATOM 1759 C THR A 117 -8.577 -15.398 -9.781 1.00 22.13 C ATOM 1760 O THR A 117 -7.465 -15.414 -9.253 1.00 53.02 O ATOM 1761 CB THR A 117 -9.728 -13.835 -11.348 1.00 2.22 C ATOM 1762 OG1 THR A 117 -9.566 -12.443 -11.644 1.00 4.24 O ATOM 1763 CG2 THR A 117 -11.157 -14.259 -11.652 1.00 23.03 C ATOM 0 H THR A 117 -9.116 -12.541 -8.502 1.00 34.04 H new ATOM 0 HA THR A 117 -10.300 -14.209 -9.302 1.00 35.04 H new ATOM 0 HB THR A 117 -9.052 -14.420 -11.971 1.00 2.22 H new ATOM 0 HG1 THR A 117 -9.789 -12.280 -12.584 1.00 4.24 H new ATOM 0 HG21 THR A 117 -11.381 -14.059 -12.700 1.00 23.03 H new ATOM 0 HG22 THR A 117 -11.270 -15.325 -11.454 1.00 23.03 H new ATOM 0 HG23 THR A 117 -11.845 -13.697 -11.020 1.00 23.03 H new ATOM 1771 N ARG A 118 -9.148 -16.480 -10.299 1.00 55.31 N ATOM 1772 CA ARG A 118 -8.486 -17.779 -10.275 1.00 74.22 C ATOM 1773 C ARG A 118 -8.276 -18.308 -11.690 1.00 20.04 C ATOM 1774 O ARG A 118 -8.961 -17.917 -12.635 1.00 15.33 O ATOM 1775 CB ARG A 118 -9.311 -18.781 -9.462 1.00 4.41 C ATOM 1776 CG ARG A 118 -10.806 -18.689 -9.720 1.00 12.40 C ATOM 1777 CD ARG A 118 -11.501 -17.837 -8.669 1.00 12.04 C ATOM 1778 NE ARG A 118 -11.853 -18.612 -7.483 1.00 75.04 N ATOM 1779 CZ ARG A 118 -12.883 -19.451 -7.431 1.00 44.50 C ATOM 1780 NH1 ARG A 118 -13.657 -19.621 -8.494 1.00 72.21 N ATOM 1781 NH2 ARG A 118 -13.140 -20.120 -6.314 1.00 71.43 N ATOM 0 H ARG A 118 -10.068 -16.483 -10.740 1.00 55.31 H new ATOM 0 HA ARG A 118 -7.511 -17.653 -9.804 1.00 74.22 H new ATOM 0 HB2 ARG A 118 -8.972 -19.791 -9.694 1.00 4.41 H new ATOM 0 HB3 ARG A 118 -9.123 -18.617 -8.401 1.00 4.41 H new ATOM 0 HG2 ARG A 118 -10.980 -18.264 -10.708 1.00 12.40 H new ATOM 0 HG3 ARG A 118 -11.238 -19.690 -9.723 1.00 12.40 H new ATOM 0 HD2 ARG A 118 -10.849 -17.011 -8.383 1.00 12.04 H new ATOM 0 HD3 ARG A 118 -12.403 -17.398 -9.096 1.00 12.04 H new ATOM 0 HE ARG A 118 -11.277 -18.504 -6.648 1.00 75.04 H new ATOM 0 HH11 ARG A 118 -13.463 -19.108 -9.354 1.00 72.21 H new ATOM 0 HH12 ARG A 118 -14.447 -20.265 -8.452 1.00 72.21 H new ATOM 0 HH21 ARG A 118 -12.547 -19.991 -5.494 1.00 71.43 H new ATOM 0 HH22 ARG A 118 -13.931 -20.763 -6.275 1.00 71.43 H new ATOM 1795 N PRO A 119 -7.303 -19.219 -11.843 1.00 32.12 N ATOM 1796 CA PRO A 119 -6.979 -19.822 -13.139 1.00 4.13 C ATOM 1797 C PRO A 119 -8.072 -20.763 -13.631 1.00 14.22 C ATOM 1798 O PRO A 119 -8.613 -20.586 -14.722 1.00 44.11 O ATOM 1799 CB PRO A 119 -5.690 -20.599 -12.856 1.00 72.42 C ATOM 1800 CG PRO A 119 -5.740 -20.898 -11.398 1.00 13.34 C ATOM 1801 CD PRO A 119 -6.446 -19.732 -10.761 1.00 10.03 C ATOM 0 HA PRO A 119 -6.877 -19.072 -13.923 1.00 4.13 H new ATOM 0 HB2 PRO A 119 -5.642 -21.514 -13.446 1.00 72.42 H new ATOM 0 HB3 PRO A 119 -4.809 -20.010 -13.109 1.00 72.42 H new ATOM 0 HG2 PRO A 119 -6.274 -21.829 -11.208 1.00 13.34 H new ATOM 0 HG3 PRO A 119 -4.737 -21.018 -10.989 1.00 13.34 H new ATOM 0 HD2 PRO A 119 -7.033 -20.041 -9.896 1.00 10.03 H new ATOM 0 HD3 PRO A 119 -5.741 -18.976 -10.414 1.00 10.03 H new TER 1809 PRO A 119 HETATM 1810 C1 MYR A 201 7.032 11.935 -0.244 1.00 30.21 C HETATM 1811 O1 MYR A 201 6.032 12.082 -0.946 1.00 55.22 O HETATM 1812 C2 MYR A 201 7.342 10.538 0.296 1.00 3.33 C HETATM 1813 C3 MYR A 201 7.287 10.418 1.837 1.00 23.45 C HETATM 1814 C4 MYR A 201 5.844 10.296 2.358 1.00 21.22 C HETATM 1815 C5 MYR A 201 5.529 8.877 2.868 1.00 10.41 C HETATM 1816 C6 MYR A 201 4.054 8.724 3.288 1.00 33.21 C HETATM 1817 C7 MYR A 201 3.435 7.413 2.766 1.00 54.33 C HETATM 1818 C8 MYR A 201 2.183 7.664 1.903 1.00 12.31 C HETATM 1819 C9 MYR A 201 1.757 6.410 1.117 1.00 2.12 C HETATM 1820 C10 MYR A 201 0.246 6.400 0.806 1.00 40.41 C HETATM 1821 C11 MYR A 201 -0.398 4.998 0.831 1.00 34.24 C HETATM 1822 C12 MYR A 201 0.395 3.921 0.062 1.00 2.30 C HETATM 1823 C13 MYR A 201 1.208 3.014 1.001 1.00 33.10 C HETATM 1824 C14 MYR A 201 1.592 1.690 0.325 1.00 14.12 C HETATM 0 H143 MYR A 201 0.688 1.156 0.032 1.00 14.12 H new HETATM 0 H142 MYR A 201 2.196 1.895 -0.559 1.00 14.12 H new HETATM 0 H141 MYR A 201 2.165 1.079 1.022 1.00 14.12 H new HETATM 0 H132 MYR A 201 2.111 3.536 1.318 1.00 33.10 H new HETATM 0 H131 MYR A 201 0.627 2.808 1.900 1.00 33.10 H new HETATM 0 H122 MYR A 201 -0.295 3.311 -0.521 1.00 2.30 H new HETATM 0 H121 MYR A 201 1.068 4.405 -0.646 1.00 2.30 H new HETATM 0 H112 MYR A 201 -0.508 4.680 1.868 1.00 34.24 H new HETATM 0 H111 MYR A 201 -1.401 5.064 0.409 1.00 34.24 H new HETATM 0 H102 MYR A 201 -0.266 7.035 1.529 1.00 40.41 H new HETATM 0 H101 MYR A 201 0.086 6.843 -0.177 1.00 40.41 H new HETATM 0 H92 MYR A 201 2.318 6.361 0.184 1.00 2.12 H new HETATM 0 H91 MYR A 201 2.014 5.520 1.691 1.00 2.12 H new HETATM 0 H82 MYR A 201 1.361 7.986 2.543 1.00 12.31 H new HETATM 0 H81 MYR A 201 2.382 8.478 1.206 1.00 12.31 H new HETATM 0 H72 MYR A 201 4.177 6.872 2.179 1.00 54.33 H new HETATM 0 H71 MYR A 201 3.171 6.776 3.610 1.00 54.33 H new HETATM 0 H62 MYR A 201 3.983 8.750 4.375 1.00 33.21 H new HETATM 0 H61 MYR A 201 3.480 9.571 2.911 1.00 33.21 H new HETATM 0 H52 MYR A 201 5.760 8.152 2.087 1.00 10.41 H new HETATM 0 H51 MYR A 201 6.173 8.647 3.717 1.00 10.41 H new HETATM 0 H42 MYR A 201 5.688 11.013 3.164 1.00 21.22 H new HETATM 0 H41 MYR A 201 5.148 10.557 1.561 1.00 21.22 H new HETATM 0 H32 MYR A 201 7.861 9.547 2.153 1.00 23.45 H new HETATM 0 H31 MYR A 201 7.761 11.291 2.285 1.00 23.45 H new HETATM 0 H22 MYR A 201 6.635 9.830 -0.136 1.00 3.33 H new HETATM 0 H21 MYR A 201 8.335 10.243 -0.043 1.00 3.33 H new