USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 546 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 36:sc= 0.958 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 163:sc= -0.0322 (180deg=-0.256) USER MOD Single : A 14 ASN : amide:sc= -0.344 K(o=-0.34,f=-7.4!) USER MOD Single : A 15 THR OG1 : rot 180:sc=-0.00952 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc=-0.00603 X(o=-0.006,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.877 K(o=-0.88,f=0.27) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.0653 X(o=-0.065,f=-0.0042) USER MOD Single : A 42 LYS NZ :NH3+ -157:sc= 0.805 (180deg=0.345) USER MOD Single : A 43 SER OG : rot 180:sc= -0.086 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.659 K(o=-0.66,f=-9.3!) USER MOD Single : A 47 CYS SG : rot 76:sc= -0.686 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.969 11.355 -13.406 1.00 0.00 N ATOM 2 CA GLY A 1 -20.755 9.920 -13.444 1.00 0.00 C ATOM 3 C GLY A 1 -21.529 9.248 -14.561 1.00 0.00 C ATOM 4 O GLY A 1 -22.741 9.060 -14.460 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.419 11.768 -12.626 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.662 11.776 -14.306 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.980 11.552 -13.259 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.691 9.718 -13.570 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.051 9.486 -12.489 1.00 0.00 H new ATOM 8 N SER A 2 -20.827 8.885 -15.630 1.00 0.00 N ATOM 9 CA SER A 2 -21.456 8.235 -16.774 1.00 0.00 C ATOM 10 C SER A 2 -22.021 6.873 -16.381 1.00 0.00 C ATOM 11 O SER A 2 -23.149 6.531 -16.736 1.00 0.00 O ATOM 12 CB SER A 2 -20.449 8.073 -17.913 1.00 0.00 C ATOM 13 OG SER A 2 -21.079 7.587 -19.086 1.00 0.00 O ATOM 0 H SER A 2 -19.822 9.030 -15.728 1.00 0.00 H new ATOM 0 HA SER A 2 -22.278 8.866 -17.113 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.974 9.032 -18.122 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.659 7.386 -17.609 1.00 0.00 H new ATOM 0 HG SER A 2 -20.414 7.494 -19.800 1.00 0.00 H new ATOM 19 N SER A 3 -21.228 6.101 -15.646 1.00 0.00 N ATOM 20 CA SER A 3 -21.646 4.774 -15.207 1.00 0.00 C ATOM 21 C SER A 3 -20.991 4.410 -13.878 1.00 0.00 C ATOM 22 O SER A 3 -19.774 4.507 -13.726 1.00 0.00 O ATOM 23 CB SER A 3 -21.292 3.729 -16.267 1.00 0.00 C ATOM 24 OG SER A 3 -21.952 2.501 -16.012 1.00 0.00 O ATOM 0 H SER A 3 -20.293 6.371 -15.342 1.00 0.00 H new ATOM 0 HA SER A 3 -22.727 4.788 -15.067 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.572 4.098 -17.254 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.214 3.570 -16.280 1.00 0.00 H new ATOM 0 HG SER A 3 -21.711 1.850 -16.704 1.00 0.00 H new ATOM 30 N GLY A 4 -21.809 3.990 -12.918 1.00 0.00 N ATOM 31 CA GLY A 4 -21.292 3.618 -11.614 1.00 0.00 C ATOM 32 C GLY A 4 -21.604 2.178 -11.256 1.00 0.00 C ATOM 33 O GLY A 4 -22.549 1.905 -10.517 1.00 0.00 O ATOM 0 H GLY A 4 -22.820 3.901 -13.020 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.212 3.767 -11.598 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.716 4.278 -10.857 1.00 0.00 H new ATOM 37 N SER A 5 -20.808 1.253 -11.784 1.00 0.00 N ATOM 38 CA SER A 5 -21.007 -0.167 -11.520 1.00 0.00 C ATOM 39 C SER A 5 -19.741 -0.796 -10.946 1.00 0.00 C ATOM 40 O SER A 5 -18.771 -1.035 -11.666 1.00 0.00 O ATOM 41 CB SER A 5 -21.413 -0.893 -12.804 1.00 0.00 C ATOM 42 OG SER A 5 -20.390 -0.812 -13.782 1.00 0.00 O ATOM 0 H SER A 5 -20.020 1.462 -12.397 1.00 0.00 H new ATOM 0 HA SER A 5 -21.806 -0.266 -10.785 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.626 -1.939 -12.582 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.331 -0.457 -13.197 1.00 0.00 H new ATOM 0 HG SER A 5 -19.514 -0.847 -13.343 1.00 0.00 H new ATOM 48 N SER A 6 -19.758 -1.061 -9.644 1.00 0.00 N ATOM 49 CA SER A 6 -18.612 -1.659 -8.970 1.00 0.00 C ATOM 50 C SER A 6 -19.005 -2.190 -7.595 1.00 0.00 C ATOM 51 O SER A 6 -19.998 -1.757 -7.011 1.00 0.00 O ATOM 52 CB SER A 6 -17.485 -0.633 -8.830 1.00 0.00 C ATOM 53 OG SER A 6 -16.219 -1.269 -8.789 1.00 0.00 O ATOM 0 H SER A 6 -20.553 -0.871 -9.034 1.00 0.00 H new ATOM 0 HA SER A 6 -18.261 -2.495 -9.575 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.518 0.065 -9.667 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.632 -0.049 -7.922 1.00 0.00 H new ATOM 0 HG SER A 6 -15.516 -0.592 -8.701 1.00 0.00 H new ATOM 59 N GLY A 7 -18.218 -3.132 -7.083 1.00 0.00 N ATOM 60 CA GLY A 7 -18.500 -3.707 -5.781 1.00 0.00 C ATOM 61 C GLY A 7 -17.491 -4.767 -5.385 1.00 0.00 C ATOM 62 O GLY A 7 -16.380 -4.807 -5.916 1.00 0.00 O ATOM 0 H GLY A 7 -17.391 -3.507 -7.547 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.505 -2.916 -5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.498 -4.145 -5.789 1.00 0.00 H new ATOM 66 N LYS A 8 -17.875 -5.627 -4.449 1.00 0.00 N ATOM 67 CA LYS A 8 -16.997 -6.693 -3.980 1.00 0.00 C ATOM 68 C LYS A 8 -15.572 -6.181 -3.796 1.00 0.00 C ATOM 69 O LYS A 8 -14.608 -6.862 -4.144 1.00 0.00 O ATOM 70 CB LYS A 8 -17.007 -7.861 -4.969 1.00 0.00 C ATOM 71 CG LYS A 8 -16.383 -9.131 -4.416 1.00 0.00 C ATOM 72 CD LYS A 8 -16.080 -10.130 -5.520 1.00 0.00 C ATOM 73 CE LYS A 8 -15.677 -11.482 -4.952 1.00 0.00 C ATOM 74 NZ LYS A 8 -16.812 -12.154 -4.261 1.00 0.00 N ATOM 0 H LYS A 8 -18.790 -5.607 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.368 -7.039 -3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -18.036 -8.069 -5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -16.472 -7.566 -5.872 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.464 -8.884 -3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -17.059 -9.583 -3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.957 -10.248 -6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.278 -9.745 -6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.313 -12.120 -5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.852 -11.350 -4.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.597 -13.165 -4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.956 -11.720 -3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.676 -12.047 -4.829 1.00 0.00 H new ATOM 88 N GLY A 9 -15.446 -4.977 -3.245 1.00 0.00 N ATOM 89 CA GLY A 9 -14.135 -4.396 -3.023 1.00 0.00 C ATOM 90 C GLY A 9 -13.936 -3.105 -3.791 1.00 0.00 C ATOM 91 O GLY A 9 -14.866 -2.594 -4.413 1.00 0.00 O ATOM 0 H GLY A 9 -16.229 -4.394 -2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -14.001 -4.206 -1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.369 -5.113 -3.318 1.00 0.00 H new ATOM 95 N GLY A 10 -12.717 -2.574 -3.746 1.00 0.00 N ATOM 96 CA GLY A 10 -12.421 -1.337 -4.446 1.00 0.00 C ATOM 97 C GLY A 10 -11.320 -1.502 -5.474 1.00 0.00 C ATOM 98 O GLY A 10 -10.290 -2.117 -5.198 1.00 0.00 O ATOM 0 H GLY A 10 -11.930 -2.978 -3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.324 -0.978 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.128 -0.575 -3.723 1.00 0.00 H new ATOM 102 N VAL A 11 -11.538 -0.954 -6.665 1.00 0.00 N ATOM 103 CA VAL A 11 -10.556 -1.044 -7.739 1.00 0.00 C ATOM 104 C VAL A 11 -9.268 -0.317 -7.368 1.00 0.00 C ATOM 105 O VAL A 11 -9.238 0.470 -6.422 1.00 0.00 O ATOM 106 CB VAL A 11 -11.105 -0.455 -9.052 1.00 0.00 C ATOM 107 CG1 VAL A 11 -10.076 -0.582 -10.166 1.00 0.00 C ATOM 108 CG2 VAL A 11 -12.408 -1.139 -9.438 1.00 0.00 C ATOM 0 H VAL A 11 -12.386 -0.443 -6.911 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.343 -2.103 -7.886 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.309 0.605 -8.898 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.482 -0.161 -11.086 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.171 -0.043 -9.888 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.838 -1.634 -10.323 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.782 -0.711 -10.368 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.232 -2.206 -9.575 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -13.145 -0.991 -8.648 1.00 0.00 H new ATOM 118 N TRP A 12 -8.206 -0.585 -8.120 1.00 0.00 N ATOM 119 CA TRP A 12 -6.914 0.044 -7.870 1.00 0.00 C ATOM 120 C TRP A 12 -6.207 0.373 -9.180 1.00 0.00 C ATOM 121 O TRP A 12 -6.386 -0.318 -10.183 1.00 0.00 O ATOM 122 CB TRP A 12 -6.035 -0.871 -7.017 1.00 0.00 C ATOM 123 CG TRP A 12 -6.271 -0.718 -5.545 1.00 0.00 C ATOM 124 CD1 TRP A 12 -7.313 -1.227 -4.825 1.00 0.00 C ATOM 125 CD2 TRP A 12 -5.448 -0.006 -4.615 1.00 0.00 C ATOM 126 NE1 TRP A 12 -7.188 -0.875 -3.503 1.00 0.00 N ATOM 127 CE2 TRP A 12 -6.051 -0.126 -3.347 1.00 0.00 C ATOM 128 CE3 TRP A 12 -4.258 0.719 -4.728 1.00 0.00 C ATOM 129 CZ2 TRP A 12 -5.505 0.453 -2.205 1.00 0.00 C ATOM 130 CZ3 TRP A 12 -3.718 1.294 -3.593 1.00 0.00 C ATOM 131 CH2 TRP A 12 -4.341 1.157 -2.345 1.00 0.00 C ATOM 0 H TRP A 12 -8.214 -1.233 -8.907 1.00 0.00 H new ATOM 0 HA TRP A 12 -7.089 0.974 -7.330 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.218 -1.907 -7.301 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.987 -0.662 -7.233 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -8.118 -1.820 -5.235 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.836 -1.130 -2.758 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.769 0.828 -5.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.984 0.350 -1.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.800 1.858 -3.669 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.893 1.617 -1.477 1.00 0.00 H new ATOM 142 N ARG A 13 -5.404 1.431 -9.165 1.00 0.00 N ATOM 143 CA ARG A 13 -4.670 1.851 -10.353 1.00 0.00 C ATOM 144 C ARG A 13 -3.165 1.790 -10.112 1.00 0.00 C ATOM 145 O ARG A 13 -2.709 1.785 -8.969 1.00 0.00 O ATOM 146 CB ARG A 13 -5.076 3.271 -10.753 1.00 0.00 C ATOM 147 CG ARG A 13 -6.579 3.460 -10.886 1.00 0.00 C ATOM 148 CD ARG A 13 -6.916 4.761 -11.597 1.00 0.00 C ATOM 149 NE ARG A 13 -6.943 5.896 -10.677 1.00 0.00 N ATOM 150 CZ ARG A 13 -7.857 6.048 -9.725 1.00 0.00 C ATOM 151 NH1 ARG A 13 -8.813 5.143 -9.568 1.00 0.00 N ATOM 152 NH2 ARG A 13 -7.815 7.108 -8.928 1.00 0.00 N ATOM 0 H ARG A 13 -5.245 2.014 -8.343 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.919 1.167 -11.164 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.694 3.972 -10.010 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.601 3.522 -11.702 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.005 2.622 -11.438 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.036 3.456 -9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.181 4.947 -12.381 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.886 4.667 -12.085 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.221 6.610 -10.771 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.848 4.327 -10.179 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.513 5.263 -8.836 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.081 7.806 -9.046 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.517 7.225 -8.197 1.00 0.00 H new ATOM 166 N ASN A 14 -2.398 1.744 -11.197 1.00 0.00 N ATOM 167 CA ASN A 14 -0.944 1.682 -11.104 1.00 0.00 C ATOM 168 C ASN A 14 -0.419 2.710 -10.105 1.00 0.00 C ATOM 169 O ASN A 14 0.350 2.378 -9.202 1.00 0.00 O ATOM 170 CB ASN A 14 -0.314 1.921 -12.477 1.00 0.00 C ATOM 171 CG ASN A 14 -0.617 3.305 -13.020 1.00 0.00 C ATOM 172 OD1 ASN A 14 -1.693 3.854 -12.785 1.00 0.00 O ATOM 173 ND2 ASN A 14 0.334 3.875 -13.750 1.00 0.00 N ATOM 0 H ASN A 14 -2.760 1.749 -12.151 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.669 0.687 -10.754 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.766 1.790 -12.406 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.681 1.171 -13.177 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.188 4.805 -14.142 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.211 3.383 -13.919 1.00 0.00 H new ATOM 180 N THR A 15 -0.841 3.959 -10.273 1.00 0.00 N ATOM 181 CA THR A 15 -0.413 5.035 -9.387 1.00 0.00 C ATOM 182 C THR A 15 -0.756 4.721 -7.936 1.00 0.00 C ATOM 183 O THR A 15 0.125 4.678 -7.077 1.00 0.00 O ATOM 184 CB THR A 15 -1.063 6.376 -9.778 1.00 0.00 C ATOM 185 OG1 THR A 15 -2.472 6.200 -9.968 1.00 0.00 O ATOM 186 CG2 THR A 15 -0.439 6.929 -11.051 1.00 0.00 C ATOM 0 H THR A 15 -1.478 4.251 -11.014 1.00 0.00 H new ATOM 0 HA THR A 15 0.669 5.120 -9.491 1.00 0.00 H new ATOM 0 HB THR A 15 -0.892 7.087 -8.970 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.878 7.057 -10.215 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.914 7.876 -11.307 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.628 7.089 -10.894 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.583 6.219 -11.865 1.00 0.00 H new ATOM 194 N GLU A 16 -2.040 4.504 -7.669 1.00 0.00 N ATOM 195 CA GLU A 16 -2.497 4.194 -6.319 1.00 0.00 C ATOM 196 C GLU A 16 -1.595 3.151 -5.665 1.00 0.00 C ATOM 197 O GLU A 16 -1.291 3.236 -4.475 1.00 0.00 O ATOM 198 CB GLU A 16 -3.941 3.689 -6.350 1.00 0.00 C ATOM 199 CG GLU A 16 -4.976 4.799 -6.272 1.00 0.00 C ATOM 200 CD GLU A 16 -5.389 5.113 -4.848 1.00 0.00 C ATOM 201 OE1 GLU A 16 -5.248 4.226 -3.979 1.00 0.00 O ATOM 202 OE2 GLU A 16 -5.853 6.246 -4.601 1.00 0.00 O ATOM 0 H GLU A 16 -2.782 4.537 -8.369 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.452 5.109 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.099 3.121 -7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.095 3.001 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.573 5.699 -6.736 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.856 4.511 -6.846 1.00 0.00 H new ATOM 209 N ASP A 17 -1.172 2.167 -6.452 1.00 0.00 N ATOM 210 CA ASP A 17 -0.305 1.107 -5.950 1.00 0.00 C ATOM 211 C ASP A 17 1.071 1.657 -5.586 1.00 0.00 C ATOM 212 O ASP A 17 1.607 1.356 -4.521 1.00 0.00 O ATOM 213 CB ASP A 17 -0.164 -0.002 -6.994 1.00 0.00 C ATOM 214 CG ASP A 17 -1.310 -0.994 -6.942 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.469 -0.554 -6.792 1.00 0.00 O ATOM 216 OD2 ASP A 17 -1.048 -2.210 -7.051 1.00 0.00 O ATOM 0 H ASP A 17 -1.415 2.082 -7.439 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.761 0.694 -5.050 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.117 0.442 -7.988 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.777 -0.529 -6.835 1.00 0.00 H new ATOM 221 N GLU A 18 1.636 2.464 -6.479 1.00 0.00 N ATOM 222 CA GLU A 18 2.950 3.054 -6.252 1.00 0.00 C ATOM 223 C GLU A 18 2.985 3.809 -4.926 1.00 0.00 C ATOM 224 O GLU A 18 3.918 3.656 -4.137 1.00 0.00 O ATOM 225 CB GLU A 18 3.315 3.998 -7.399 1.00 0.00 C ATOM 226 CG GLU A 18 3.432 3.304 -8.745 1.00 0.00 C ATOM 227 CD GLU A 18 4.432 3.979 -9.664 1.00 0.00 C ATOM 228 OE1 GLU A 18 4.383 5.220 -9.785 1.00 0.00 O ATOM 229 OE2 GLU A 18 5.263 3.264 -10.263 1.00 0.00 O ATOM 0 H GLU A 18 1.204 2.724 -7.366 1.00 0.00 H new ATOM 0 HA GLU A 18 3.681 2.246 -6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.560 4.781 -7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.261 4.487 -7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.729 2.267 -8.590 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.455 3.287 -9.227 1.00 0.00 H new ATOM 236 N ILE A 19 1.962 4.623 -4.688 1.00 0.00 N ATOM 237 CA ILE A 19 1.876 5.401 -3.459 1.00 0.00 C ATOM 238 C ILE A 19 1.794 4.492 -2.237 1.00 0.00 C ATOM 239 O ILE A 19 2.490 4.704 -1.244 1.00 0.00 O ATOM 240 CB ILE A 19 0.654 6.338 -3.470 1.00 0.00 C ATOM 241 CG1 ILE A 19 0.736 7.305 -4.653 1.00 0.00 C ATOM 242 CG2 ILE A 19 0.561 7.104 -2.159 1.00 0.00 C ATOM 243 CD1 ILE A 19 -0.616 7.750 -5.165 1.00 0.00 C ATOM 0 H ILE A 19 1.182 4.761 -5.330 1.00 0.00 H new ATOM 0 HA ILE A 19 2.784 6.002 -3.402 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.247 5.734 -3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.309 8.183 -4.355 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.284 6.827 -5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.308 7.762 -2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.461 6.400 -1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.463 7.700 -2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.481 8.434 -6.003 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.185 6.880 -5.494 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.158 8.257 -4.367 1.00 0.00 H new ATOM 255 N LEU A 20 0.940 3.478 -2.318 1.00 0.00 N ATOM 256 CA LEU A 20 0.767 2.533 -1.220 1.00 0.00 C ATOM 257 C LEU A 20 2.076 1.815 -0.908 1.00 0.00 C ATOM 258 O LEU A 20 2.578 1.875 0.214 1.00 0.00 O ATOM 259 CB LEU A 20 -0.318 1.512 -1.565 1.00 0.00 C ATOM 260 CG LEU A 20 -0.593 0.441 -0.509 1.00 0.00 C ATOM 261 CD1 LEU A 20 -1.291 1.049 0.698 1.00 0.00 C ATOM 262 CD2 LEU A 20 -1.427 -0.687 -1.097 1.00 0.00 C ATOM 0 H LEU A 20 0.356 3.289 -3.133 1.00 0.00 H new ATOM 0 HA LEU A 20 0.462 3.093 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.246 2.050 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.038 1.015 -2.494 1.00 0.00 H new ATOM 0 HG LEU A 20 0.361 0.027 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.479 0.272 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.657 1.821 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.238 1.490 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.613 -1.440 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.377 -0.289 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.889 -1.141 -1.929 1.00 0.00 H new ATOM 274 N LYS A 21 2.626 1.138 -1.910 1.00 0.00 N ATOM 275 CA LYS A 21 3.880 0.410 -1.746 1.00 0.00 C ATOM 276 C LYS A 21 4.904 1.255 -0.996 1.00 0.00 C ATOM 277 O LYS A 21 5.471 0.817 0.005 1.00 0.00 O ATOM 278 CB LYS A 21 4.439 0.003 -3.111 1.00 0.00 C ATOM 279 CG LYS A 21 3.929 -1.341 -3.601 1.00 0.00 C ATOM 280 CD LYS A 21 4.245 -1.555 -5.072 1.00 0.00 C ATOM 281 CE LYS A 21 3.125 -1.039 -5.962 1.00 0.00 C ATOM 282 NZ LYS A 21 3.517 -1.031 -7.399 1.00 0.00 N ATOM 0 H LYS A 21 2.223 1.078 -2.845 1.00 0.00 H new ATOM 0 HA LYS A 21 3.678 -0.487 -1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.181 0.769 -3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.527 -0.030 -3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.380 -2.139 -3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.852 -1.400 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.175 -1.046 -5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.402 -2.617 -5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.240 -1.662 -5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.853 -0.029 -5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.727 -0.673 -7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.346 -0.416 -7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.753 -1.998 -7.700 1.00 0.00 H new ATOM 296 N ALA A 22 5.136 2.469 -1.485 1.00 0.00 N ATOM 297 CA ALA A 22 6.090 3.376 -0.859 1.00 0.00 C ATOM 298 C ALA A 22 5.688 3.688 0.578 1.00 0.00 C ATOM 299 O ALA A 22 6.431 3.401 1.517 1.00 0.00 O ATOM 300 CB ALA A 22 6.207 4.659 -1.667 1.00 0.00 C ATOM 0 H ALA A 22 4.676 2.847 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 22 7.062 2.884 -0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.923 5.327 -1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.549 4.424 -2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.234 5.147 -1.718 1.00 0.00 H new ATOM 306 N ALA A 23 4.509 4.278 0.743 1.00 0.00 N ATOM 307 CA ALA A 23 4.008 4.628 2.067 1.00 0.00 C ATOM 308 C ALA A 23 4.227 3.488 3.056 1.00 0.00 C ATOM 309 O ALA A 23 4.700 3.703 4.171 1.00 0.00 O ATOM 310 CB ALA A 23 2.532 4.990 1.994 1.00 0.00 C ATOM 0 H ALA A 23 3.883 4.524 -0.024 1.00 0.00 H new ATOM 0 HA ALA A 23 4.566 5.494 2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.171 5.249 2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.399 5.842 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.967 4.139 1.613 1.00 0.00 H new ATOM 316 N VAL A 24 3.878 2.275 2.639 1.00 0.00 N ATOM 317 CA VAL A 24 4.037 1.100 3.488 1.00 0.00 C ATOM 318 C VAL A 24 5.477 0.959 3.968 1.00 0.00 C ATOM 319 O VAL A 24 5.730 0.475 5.071 1.00 0.00 O ATOM 320 CB VAL A 24 3.626 -0.187 2.749 1.00 0.00 C ATOM 321 CG1 VAL A 24 3.924 -1.411 3.601 1.00 0.00 C ATOM 322 CG2 VAL A 24 2.153 -0.136 2.371 1.00 0.00 C ATOM 0 H VAL A 24 3.483 2.080 1.719 1.00 0.00 H new ATOM 0 HA VAL A 24 3.382 1.241 4.348 1.00 0.00 H new ATOM 0 HB VAL A 24 4.211 -0.262 1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.627 -2.311 3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.992 -1.453 3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.367 -1.348 4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.879 -1.053 1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.549 -0.037 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.974 0.719 1.719 1.00 0.00 H new ATOM 332 N MET A 25 6.418 1.386 3.132 1.00 0.00 N ATOM 333 CA MET A 25 7.834 1.309 3.472 1.00 0.00 C ATOM 334 C MET A 25 8.230 2.443 4.413 1.00 0.00 C ATOM 335 O MET A 25 9.089 2.275 5.278 1.00 0.00 O ATOM 336 CB MET A 25 8.688 1.361 2.204 1.00 0.00 C ATOM 337 CG MET A 25 8.471 0.177 1.276 1.00 0.00 C ATOM 338 SD MET A 25 9.341 -1.304 1.823 1.00 0.00 S ATOM 339 CE MET A 25 8.326 -2.584 1.089 1.00 0.00 C ATOM 0 H MET A 25 6.226 1.789 2.215 1.00 0.00 H new ATOM 0 HA MET A 25 8.009 0.361 3.981 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.466 2.281 1.664 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.740 1.403 2.486 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.404 -0.037 1.210 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.806 0.441 0.273 1.00 0.00 H new ATOM 0 HE1 MET A 25 8.737 -3.562 1.339 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.309 -2.508 1.475 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.313 -2.462 0.006 1.00 0.00 H new ATOM 349 N LYS A 26 7.598 3.599 4.238 1.00 0.00 N ATOM 350 CA LYS A 26 7.882 4.761 5.071 1.00 0.00 C ATOM 351 C LYS A 26 7.143 4.670 6.402 1.00 0.00 C ATOM 352 O LYS A 26 7.763 4.585 7.463 1.00 0.00 O ATOM 353 CB LYS A 26 7.486 6.047 4.342 1.00 0.00 C ATOM 354 CG LYS A 26 7.663 7.301 5.180 1.00 0.00 C ATOM 355 CD LYS A 26 6.958 8.493 4.556 1.00 0.00 C ATOM 356 CE LYS A 26 6.563 9.520 5.606 1.00 0.00 C ATOM 357 NZ LYS A 26 6.544 10.902 5.051 1.00 0.00 N ATOM 0 H LYS A 26 6.885 3.756 3.526 1.00 0.00 H new ATOM 0 HA LYS A 26 8.953 4.780 5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.083 6.139 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.444 5.972 4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.270 7.128 6.182 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.725 7.521 5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.612 8.958 3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.069 8.154 4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.578 9.274 6.002 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.262 9.473 6.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.270 11.572 5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.490 11.147 4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.858 10.953 4.271 1.00 0.00 H new ATOM 371 N TYR A 27 5.817 4.688 6.339 1.00 0.00 N ATOM 372 CA TYR A 27 4.994 4.609 7.540 1.00 0.00 C ATOM 373 C TYR A 27 5.051 3.211 8.148 1.00 0.00 C ATOM 374 O TYR A 27 4.981 3.047 9.366 1.00 0.00 O ATOM 375 CB TYR A 27 3.545 4.977 7.216 1.00 0.00 C ATOM 376 CG TYR A 27 3.390 6.359 6.623 1.00 0.00 C ATOM 377 CD1 TYR A 27 3.568 6.578 5.263 1.00 0.00 C ATOM 378 CD2 TYR A 27 3.064 7.447 7.424 1.00 0.00 C ATOM 379 CE1 TYR A 27 3.428 7.839 4.718 1.00 0.00 C ATOM 380 CE2 TYR A 27 2.920 8.712 6.887 1.00 0.00 C ATOM 381 CZ TYR A 27 3.104 8.903 5.534 1.00 0.00 C ATOM 382 OH TYR A 27 2.962 10.161 4.994 1.00 0.00 O ATOM 0 H TYR A 27 5.289 4.757 5.469 1.00 0.00 H new ATOM 0 HA TYR A 27 5.388 5.319 8.267 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.140 4.244 6.518 1.00 0.00 H new ATOM 0 HB3 TYR A 27 2.950 4.913 8.127 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.820 5.747 4.620 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.921 7.301 8.484 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.571 7.991 3.658 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.665 9.546 7.523 1.00 0.00 H new ATOM 0 HH TYR A 27 2.732 10.797 5.703 1.00 0.00 H new ATOM 392 N GLY A 28 5.178 2.203 7.290 1.00 0.00 N ATOM 393 CA GLY A 28 5.243 0.832 7.759 1.00 0.00 C ATOM 394 C GLY A 28 3.961 0.068 7.498 1.00 0.00 C ATOM 395 O GLY A 28 2.973 0.638 7.032 1.00 0.00 O ATOM 0 H GLY A 28 5.237 2.312 6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.072 0.322 7.268 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.454 0.827 8.828 1.00 0.00 H new ATOM 399 N LYS A 29 3.974 -1.227 7.796 1.00 0.00 N ATOM 400 CA LYS A 29 2.803 -2.072 7.590 1.00 0.00 C ATOM 401 C LYS A 29 1.904 -2.065 8.822 1.00 0.00 C ATOM 402 O LYS A 29 1.225 -3.049 9.111 1.00 0.00 O ATOM 403 CB LYS A 29 3.233 -3.505 7.267 1.00 0.00 C ATOM 404 CG LYS A 29 4.052 -3.622 5.993 1.00 0.00 C ATOM 405 CD LYS A 29 4.803 -4.941 5.932 1.00 0.00 C ATOM 406 CE LYS A 29 6.004 -4.856 5.003 1.00 0.00 C ATOM 407 NZ LYS A 29 7.026 -5.892 5.321 1.00 0.00 N ATOM 0 H LYS A 29 4.783 -1.715 8.181 1.00 0.00 H new ATOM 0 HA LYS A 29 2.239 -1.670 6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.815 -3.897 8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.345 -4.130 7.177 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.395 -3.536 5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.761 -2.796 5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.135 -5.219 6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.131 -5.728 5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.674 -4.976 3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.454 -3.866 5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.828 -5.801 4.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.360 -5.762 6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.604 -6.838 5.222 1.00 0.00 H new ATOM 421 N ASN A 30 1.904 -0.948 9.543 1.00 0.00 N ATOM 422 CA ASN A 30 1.087 -0.814 10.743 1.00 0.00 C ATOM 423 C ASN A 30 0.209 0.432 10.667 1.00 0.00 C ATOM 424 O ASN A 30 -0.875 0.475 11.248 1.00 0.00 O ATOM 425 CB ASN A 30 1.976 -0.749 11.986 1.00 0.00 C ATOM 426 CG ASN A 30 2.718 -2.049 12.235 1.00 0.00 C ATOM 427 OD1 ASN A 30 2.278 -2.887 13.022 1.00 0.00 O ATOM 428 ND2 ASN A 30 3.850 -2.222 11.562 1.00 0.00 N ATOM 0 H ASN A 30 2.460 -0.124 9.317 1.00 0.00 H new ATOM 0 HA ASN A 30 0.441 -1.689 10.812 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.696 0.061 11.872 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.363 -0.511 12.856 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.392 -3.077 11.687 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.177 -1.500 10.920 1.00 0.00 H new ATOM 435 N GLN A 31 0.686 1.442 9.947 1.00 0.00 N ATOM 436 CA GLN A 31 -0.055 2.689 9.795 1.00 0.00 C ATOM 437 C GLN A 31 -0.980 2.628 8.584 1.00 0.00 C ATOM 438 O GLN A 31 -1.114 3.602 7.844 1.00 0.00 O ATOM 439 CB GLN A 31 0.911 3.867 9.655 1.00 0.00 C ATOM 440 CG GLN A 31 2.015 3.875 10.699 1.00 0.00 C ATOM 441 CD GLN A 31 2.670 5.235 10.846 1.00 0.00 C ATOM 442 OE1 GLN A 31 3.893 5.359 10.775 1.00 0.00 O ATOM 443 NE2 GLN A 31 1.857 6.264 11.052 1.00 0.00 N ATOM 0 H GLN A 31 1.582 1.422 9.460 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.664 2.832 10.688 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.361 3.841 8.663 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.348 4.798 9.726 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.603 3.569 11.660 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.772 3.139 10.428 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.849 6.115 11.104 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.240 7.203 11.158 1.00 0.00 H new ATOM 452 N TRP A 32 -1.616 1.478 8.389 1.00 0.00 N ATOM 453 CA TRP A 32 -2.528 1.290 7.267 1.00 0.00 C ATOM 454 C TRP A 32 -3.577 2.396 7.228 1.00 0.00 C ATOM 455 O TRP A 32 -3.969 2.855 6.155 1.00 0.00 O ATOM 456 CB TRP A 32 -3.212 -0.075 7.362 1.00 0.00 C ATOM 457 CG TRP A 32 -2.291 -1.221 7.072 1.00 0.00 C ATOM 458 CD1 TRP A 32 -1.992 -2.263 7.903 1.00 0.00 C ATOM 459 CD2 TRP A 32 -1.548 -1.441 5.867 1.00 0.00 C ATOM 460 NE1 TRP A 32 -1.108 -3.116 7.288 1.00 0.00 N ATOM 461 CE2 TRP A 32 -0.821 -2.635 6.038 1.00 0.00 C ATOM 462 CE3 TRP A 32 -1.429 -0.746 4.661 1.00 0.00 C ATOM 463 CZ2 TRP A 32 0.014 -3.146 5.047 1.00 0.00 C ATOM 464 CZ3 TRP A 32 -0.600 -1.254 3.679 1.00 0.00 C ATOM 465 CH2 TRP A 32 0.112 -2.445 3.876 1.00 0.00 C ATOM 0 H TRP A 32 -1.517 0.662 8.993 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.946 1.333 6.346 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.628 -0.196 8.362 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -4.048 -0.104 6.663 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.392 -2.397 8.897 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -0.727 -3.970 7.696 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.975 0.172 4.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.564 -4.063 5.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -0.499 -0.724 2.743 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.750 -2.817 3.088 1.00 0.00 H new ATOM 476 N SER A 33 -4.028 2.820 8.404 1.00 0.00 N ATOM 477 CA SER A 33 -5.035 3.870 8.503 1.00 0.00 C ATOM 478 C SER A 33 -4.507 5.184 7.935 1.00 0.00 C ATOM 479 O SER A 33 -5.161 5.824 7.111 1.00 0.00 O ATOM 480 CB SER A 33 -5.458 4.065 9.961 1.00 0.00 C ATOM 481 OG SER A 33 -6.519 3.191 10.305 1.00 0.00 O ATOM 0 H SER A 33 -3.712 2.453 9.302 1.00 0.00 H new ATOM 0 HA SER A 33 -5.902 3.564 7.918 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.607 3.885 10.617 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.768 5.098 10.118 1.00 0.00 H new ATOM 0 HG SER A 33 -6.770 3.334 11.242 1.00 0.00 H new ATOM 487 N ARG A 34 -3.320 5.581 8.383 1.00 0.00 N ATOM 488 CA ARG A 34 -2.704 6.819 7.921 1.00 0.00 C ATOM 489 C ARG A 34 -2.415 6.757 6.424 1.00 0.00 C ATOM 490 O ARG A 34 -2.708 7.698 5.686 1.00 0.00 O ATOM 491 CB ARG A 34 -1.410 7.087 8.691 1.00 0.00 C ATOM 492 CG ARG A 34 -1.006 8.552 8.712 1.00 0.00 C ATOM 493 CD ARG A 34 0.126 8.804 9.695 1.00 0.00 C ATOM 494 NE ARG A 34 0.724 10.124 9.514 1.00 0.00 N ATOM 495 CZ ARG A 34 0.161 11.251 9.937 1.00 0.00 C ATOM 496 NH1 ARG A 34 -1.008 11.217 10.562 1.00 0.00 N ATOM 497 NH2 ARG A 34 0.768 12.413 9.735 1.00 0.00 N ATOM 0 H ARG A 34 -2.766 5.063 9.065 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.404 7.635 8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.528 6.737 9.716 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.605 6.503 8.246 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.697 8.860 7.713 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.867 9.164 8.982 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.251 8.714 10.714 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.892 8.039 9.570 1.00 0.00 H new ATOM 0 HE ARG A 34 1.623 10.184 9.037 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.477 10.325 10.719 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.438 12.083 10.886 1.00 0.00 H new ATOM 0 HH21 ARG A 34 1.667 12.442 9.255 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.335 13.278 10.060 1.00 0.00 H new ATOM 511 N ILE A 35 -1.838 5.644 5.984 1.00 0.00 N ATOM 512 CA ILE A 35 -1.511 5.459 4.576 1.00 0.00 C ATOM 513 C ILE A 35 -2.716 5.751 3.688 1.00 0.00 C ATOM 514 O ILE A 35 -2.597 6.426 2.666 1.00 0.00 O ATOM 515 CB ILE A 35 -1.015 4.028 4.296 1.00 0.00 C ATOM 516 CG1 ILE A 35 0.284 3.756 5.058 1.00 0.00 C ATOM 517 CG2 ILE A 35 -0.813 3.820 2.802 1.00 0.00 C ATOM 518 CD1 ILE A 35 0.663 2.293 5.103 1.00 0.00 C ATOM 0 H ILE A 35 -1.587 4.857 6.582 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.712 6.163 4.343 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.771 3.323 4.642 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.093 4.318 4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.182 4.128 6.077 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.462 2.804 2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.758 3.976 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.074 4.531 2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.593 2.175 5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.128 1.727 5.595 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.797 1.921 4.087 1.00 0.00 H new ATOM 530 N ALA A 36 -3.875 5.239 4.087 1.00 0.00 N ATOM 531 CA ALA A 36 -5.103 5.447 3.330 1.00 0.00 C ATOM 532 C ALA A 36 -5.299 6.923 2.997 1.00 0.00 C ATOM 533 O ALA A 36 -5.709 7.270 1.889 1.00 0.00 O ATOM 534 CB ALA A 36 -6.299 4.917 4.107 1.00 0.00 C ATOM 0 H ALA A 36 -3.990 4.677 4.930 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.020 4.897 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.209 5.079 3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.170 3.850 4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.376 5.441 5.059 1.00 0.00 H new ATOM 540 N SER A 37 -5.004 7.787 3.963 1.00 0.00 N ATOM 541 CA SER A 37 -5.153 9.225 3.773 1.00 0.00 C ATOM 542 C SER A 37 -4.433 9.683 2.508 1.00 0.00 C ATOM 543 O SER A 37 -4.934 10.529 1.766 1.00 0.00 O ATOM 544 CB SER A 37 -4.606 9.980 4.986 1.00 0.00 C ATOM 545 OG SER A 37 -4.600 11.378 4.757 1.00 0.00 O ATOM 0 H SER A 37 -4.661 7.516 4.885 1.00 0.00 H new ATOM 0 HA SER A 37 -6.215 9.445 3.666 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.213 9.755 5.863 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.594 9.640 5.204 1.00 0.00 H new ATOM 0 HG SER A 37 -4.247 11.837 5.548 1.00 0.00 H new ATOM 551 N LEU A 38 -3.255 9.119 2.268 1.00 0.00 N ATOM 552 CA LEU A 38 -2.464 9.468 1.093 1.00 0.00 C ATOM 553 C LEU A 38 -3.243 9.191 -0.189 1.00 0.00 C ATOM 554 O LEU A 38 -3.262 10.013 -1.106 1.00 0.00 O ATOM 555 CB LEU A 38 -1.151 8.683 1.085 1.00 0.00 C ATOM 556 CG LEU A 38 -0.299 8.787 2.351 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.818 7.756 2.329 1.00 0.00 C ATOM 558 CD2 LEU A 38 0.271 10.191 2.495 1.00 0.00 C ATOM 0 H LEU A 38 -2.826 8.418 2.872 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.242 10.534 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.380 7.632 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.553 9.023 0.240 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.935 8.584 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.413 7.845 3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.389 6.756 2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.454 7.927 1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.875 10.248 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.893 10.422 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.545 10.910 2.558 1.00 0.00 H new ATOM 570 N LEU A 39 -3.886 8.030 -0.245 1.00 0.00 N ATOM 571 CA LEU A 39 -4.669 7.645 -1.414 1.00 0.00 C ATOM 572 C LEU A 39 -6.096 8.175 -1.313 1.00 0.00 C ATOM 573 O LEU A 39 -6.739 8.059 -0.269 1.00 0.00 O ATOM 574 CB LEU A 39 -4.688 6.122 -1.561 1.00 0.00 C ATOM 575 CG LEU A 39 -3.331 5.423 -1.470 1.00 0.00 C ATOM 576 CD1 LEU A 39 -3.507 3.970 -1.054 1.00 0.00 C ATOM 577 CD2 LEU A 39 -2.594 5.514 -2.799 1.00 0.00 C ATOM 0 H LEU A 39 -3.881 7.339 0.505 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.200 8.083 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.339 5.710 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.138 5.875 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.733 5.928 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.531 3.488 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.993 3.927 -0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.123 3.453 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.630 5.011 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.187 5.035 -3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.436 6.561 -3.056 1.00 0.00 H new ATOM 589 N HIS A 40 -6.585 8.756 -2.404 1.00 0.00 N ATOM 590 CA HIS A 40 -7.937 9.301 -2.438 1.00 0.00 C ATOM 591 C HIS A 40 -8.960 8.202 -2.709 1.00 0.00 C ATOM 592 O HIS A 40 -8.777 7.379 -3.606 1.00 0.00 O ATOM 593 CB HIS A 40 -8.044 10.388 -3.508 1.00 0.00 C ATOM 594 CG HIS A 40 -9.227 11.289 -3.331 1.00 0.00 C ATOM 595 ND1 HIS A 40 -9.707 12.107 -4.332 1.00 0.00 N ATOM 596 CD2 HIS A 40 -10.030 11.496 -2.260 1.00 0.00 C ATOM 597 CE1 HIS A 40 -10.752 12.780 -3.884 1.00 0.00 C ATOM 598 NE2 HIS A 40 -10.969 12.427 -2.630 1.00 0.00 N ATOM 0 H HIS A 40 -6.065 8.861 -3.275 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.150 9.739 -1.463 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.135 10.989 -3.495 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -8.101 9.916 -4.489 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.947 11.018 -1.295 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.331 13.497 -4.448 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.713 12.788 -2.033 1.00 0.00 H new ATOM 607 N ARG A 41 -10.035 8.195 -1.928 1.00 0.00 N ATOM 608 CA ARG A 41 -11.085 7.195 -2.083 1.00 0.00 C ATOM 609 C ARG A 41 -10.585 5.813 -1.674 1.00 0.00 C ATOM 610 O ARG A 41 -10.883 4.814 -2.329 1.00 0.00 O ATOM 611 CB ARG A 41 -11.578 7.163 -3.531 1.00 0.00 C ATOM 612 CG ARG A 41 -11.916 8.535 -4.090 1.00 0.00 C ATOM 613 CD ARG A 41 -13.372 8.896 -3.838 1.00 0.00 C ATOM 614 NE ARG A 41 -14.272 8.221 -4.768 1.00 0.00 N ATOM 615 CZ ARG A 41 -15.506 8.637 -5.030 1.00 0.00 C ATOM 616 NH1 ARG A 41 -15.984 9.722 -4.435 1.00 0.00 N ATOM 617 NH2 ARG A 41 -16.265 7.968 -5.888 1.00 0.00 N ATOM 0 H ARG A 41 -10.202 8.870 -1.182 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.913 7.470 -1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.812 6.704 -4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.462 6.528 -3.591 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.270 9.285 -3.633 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.716 8.552 -5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.640 8.629 -2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.499 9.975 -3.929 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.935 7.384 -5.243 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.404 10.239 -3.775 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.932 10.039 -4.638 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.901 7.133 -6.347 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.212 8.288 -6.088 1.00 0.00 H new ATOM 631 N LYS A 42 -9.822 5.763 -0.587 1.00 0.00 N ATOM 632 CA LYS A 42 -9.281 4.505 -0.088 1.00 0.00 C ATOM 633 C LYS A 42 -9.310 4.465 1.436 1.00 0.00 C ATOM 634 O LYS A 42 -9.177 5.496 2.096 1.00 0.00 O ATOM 635 CB LYS A 42 -7.847 4.310 -0.587 1.00 0.00 C ATOM 636 CG LYS A 42 -7.760 3.914 -2.050 1.00 0.00 C ATOM 637 CD LYS A 42 -8.244 2.491 -2.273 1.00 0.00 C ATOM 638 CE LYS A 42 -8.775 2.298 -3.685 1.00 0.00 C ATOM 639 NZ LYS A 42 -9.846 1.264 -3.738 1.00 0.00 N ATOM 0 H LYS A 42 -9.564 6.581 -0.034 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.905 3.695 -0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.290 5.235 -0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.362 3.543 0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.358 4.601 -2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.729 4.006 -2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.425 1.795 -2.093 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.028 2.255 -1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.165 3.245 -4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.957 2.008 -4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.911 0.880 -4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.620 0.496 -3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.756 1.693 -3.474 1.00 0.00 H new ATOM 653 N SER A 43 -9.484 3.269 1.990 1.00 0.00 N ATOM 654 CA SER A 43 -9.534 3.097 3.437 1.00 0.00 C ATOM 655 C SER A 43 -8.538 2.033 3.891 1.00 0.00 C ATOM 656 O SER A 43 -8.087 1.210 3.095 1.00 0.00 O ATOM 657 CB SER A 43 -10.947 2.710 3.878 1.00 0.00 C ATOM 658 OG SER A 43 -11.006 2.508 5.279 1.00 0.00 O ATOM 0 H SER A 43 -9.593 2.405 1.459 1.00 0.00 H new ATOM 0 HA SER A 43 -9.264 4.046 3.901 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.648 3.493 3.590 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.256 1.800 3.363 1.00 0.00 H new ATOM 0 HG SER A 43 -11.920 2.263 5.536 1.00 0.00 H new ATOM 664 N ALA A 44 -8.200 2.059 5.176 1.00 0.00 N ATOM 665 CA ALA A 44 -7.260 1.096 5.737 1.00 0.00 C ATOM 666 C ALA A 44 -7.539 -0.310 5.219 1.00 0.00 C ATOM 667 O ALA A 44 -6.618 -1.046 4.863 1.00 0.00 O ATOM 668 CB ALA A 44 -7.323 1.123 7.257 1.00 0.00 C ATOM 0 H ALA A 44 -8.563 2.736 5.848 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.256 1.378 5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.616 0.399 7.663 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.067 2.120 7.614 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.331 0.869 7.584 1.00 0.00 H new ATOM 674 N LYS A 45 -8.815 -0.680 5.180 1.00 0.00 N ATOM 675 CA LYS A 45 -9.216 -1.998 4.705 1.00 0.00 C ATOM 676 C LYS A 45 -8.601 -2.296 3.341 1.00 0.00 C ATOM 677 O LYS A 45 -7.873 -3.274 3.180 1.00 0.00 O ATOM 678 CB LYS A 45 -10.741 -2.090 4.619 1.00 0.00 C ATOM 679 CG LYS A 45 -11.244 -3.448 4.161 1.00 0.00 C ATOM 680 CD LYS A 45 -11.379 -3.511 2.649 1.00 0.00 C ATOM 681 CE LYS A 45 -11.698 -4.922 2.177 1.00 0.00 C ATOM 682 NZ LYS A 45 -11.280 -5.141 0.765 1.00 0.00 N ATOM 0 H LYS A 45 -9.590 -0.084 5.472 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.853 -2.739 5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.166 -1.866 5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.104 -1.326 3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.557 -4.224 4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.210 -3.654 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.166 -2.831 2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.453 -3.172 2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.195 -5.643 2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.769 -5.103 2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.514 -6.114 0.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.779 -4.470 0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.254 -4.993 0.680 1.00 0.00 H new ATOM 696 N GLN A 46 -8.898 -1.444 2.365 1.00 0.00 N ATOM 697 CA GLN A 46 -8.373 -1.617 1.016 1.00 0.00 C ATOM 698 C GLN A 46 -6.848 -1.633 1.023 1.00 0.00 C ATOM 699 O GLN A 46 -6.224 -2.489 0.394 1.00 0.00 O ATOM 700 CB GLN A 46 -8.878 -0.499 0.102 1.00 0.00 C ATOM 701 CG GLN A 46 -10.332 -0.662 -0.314 1.00 0.00 C ATOM 702 CD GLN A 46 -11.293 0.007 0.649 1.00 0.00 C ATOM 703 OE1 GLN A 46 -10.945 0.984 1.313 1.00 0.00 O ATOM 704 NE2 GLN A 46 -12.511 -0.516 0.729 1.00 0.00 N ATOM 0 H GLN A 46 -9.499 -0.628 2.483 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.727 -2.575 0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.760 0.457 0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.255 -0.463 -0.792 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.470 -0.242 -1.310 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.570 -1.724 -0.380 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.756 -1.326 0.160 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.201 -0.107 1.359 1.00 0.00 H new ATOM 713 N CYS A 47 -6.255 -0.684 1.737 1.00 0.00 N ATOM 714 CA CYS A 47 -4.802 -0.588 1.825 1.00 0.00 C ATOM 715 C CYS A 47 -4.201 -1.897 2.328 1.00 0.00 C ATOM 716 O CYS A 47 -3.204 -2.381 1.792 1.00 0.00 O ATOM 717 CB CYS A 47 -4.401 0.560 2.752 1.00 0.00 C ATOM 718 SG CYS A 47 -4.808 2.202 2.112 1.00 0.00 S ATOM 0 H CYS A 47 -6.757 0.030 2.264 1.00 0.00 H new ATOM 0 HA CYS A 47 -4.414 -0.391 0.826 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.894 0.425 3.715 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -3.327 0.508 2.933 1.00 0.00 H new ATOM 0 HG CYS A 47 -6.085 2.411 2.235 1.00 0.00 H new ATOM 724 N LYS A 48 -4.812 -2.464 3.362 1.00 0.00 N ATOM 725 CA LYS A 48 -4.339 -3.716 3.939 1.00 0.00 C ATOM 726 C LYS A 48 -4.576 -4.880 2.982 1.00 0.00 C ATOM 727 O LYS A 48 -3.672 -5.671 2.715 1.00 0.00 O ATOM 728 CB LYS A 48 -5.041 -3.986 5.272 1.00 0.00 C ATOM 729 CG LYS A 48 -4.351 -5.040 6.121 1.00 0.00 C ATOM 730 CD LYS A 48 -4.564 -4.788 7.604 1.00 0.00 C ATOM 731 CE LYS A 48 -4.261 -6.029 8.429 1.00 0.00 C ATOM 732 NZ LYS A 48 -4.466 -5.791 9.885 1.00 0.00 N ATOM 0 H LYS A 48 -5.637 -2.075 3.818 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.267 -3.624 4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.098 -3.056 5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.065 -4.303 5.076 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.734 -6.027 5.860 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.283 -5.044 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.925 -3.968 7.930 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.594 -4.477 7.777 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.901 -6.848 8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.231 -6.339 8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.249 -6.660 10.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.837 -5.027 10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.455 -5.520 10.056 1.00 0.00 H new ATOM 746 N ALA A 49 -5.798 -4.979 2.469 1.00 0.00 N ATOM 747 CA ALA A 49 -6.154 -6.044 1.540 1.00 0.00 C ATOM 748 C ALA A 49 -5.348 -5.937 0.249 1.00 0.00 C ATOM 749 O ALA A 49 -4.540 -6.811 -0.063 1.00 0.00 O ATOM 750 CB ALA A 49 -7.644 -6.006 1.238 1.00 0.00 C ATOM 0 H ALA A 49 -6.559 -4.334 2.682 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.915 -6.998 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.895 -6.807 0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.206 -6.138 2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.900 -5.045 0.792 1.00 0.00 H new ATOM 756 N ARG A 50 -5.575 -4.861 -0.497 1.00 0.00 N ATOM 757 CA ARG A 50 -4.871 -4.642 -1.755 1.00 0.00 C ATOM 758 C ARG A 50 -3.404 -5.042 -1.634 1.00 0.00 C ATOM 759 O ARG A 50 -2.850 -5.684 -2.526 1.00 0.00 O ATOM 760 CB ARG A 50 -4.978 -3.174 -2.175 1.00 0.00 C ATOM 761 CG ARG A 50 -4.009 -2.785 -3.279 1.00 0.00 C ATOM 762 CD ARG A 50 -4.184 -3.661 -4.509 1.00 0.00 C ATOM 763 NE ARG A 50 -3.778 -2.974 -5.732 1.00 0.00 N ATOM 764 CZ ARG A 50 -4.047 -3.425 -6.952 1.00 0.00 C ATOM 765 NH1 ARG A 50 -4.719 -4.557 -7.111 1.00 0.00 N ATOM 766 NH2 ARG A 50 -3.644 -2.743 -8.017 1.00 0.00 N ATOM 0 H ARG A 50 -6.240 -4.128 -0.252 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.338 -5.266 -2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.996 -2.974 -2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.798 -2.542 -1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.165 -1.741 -3.550 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.986 -2.870 -2.913 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.596 -4.571 -4.392 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.228 -3.964 -4.593 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.259 -2.100 -5.645 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.031 -5.084 -6.295 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.924 -4.901 -8.049 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.127 -1.872 -7.899 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.851 -3.090 -8.953 1.00 0.00 H new ATOM 780 N TRP A 51 -2.781 -4.657 -0.526 1.00 0.00 N ATOM 781 CA TRP A 51 -1.377 -4.976 -0.289 1.00 0.00 C ATOM 782 C TRP A 51 -1.171 -6.483 -0.183 1.00 0.00 C ATOM 783 O TRP A 51 -0.592 -7.104 -1.074 1.00 0.00 O ATOM 784 CB TRP A 51 -0.886 -4.290 0.987 1.00 0.00 C ATOM 785 CG TRP A 51 0.429 -4.817 1.476 1.00 0.00 C ATOM 786 CD1 TRP A 51 0.624 -5.813 2.389 1.00 0.00 C ATOM 787 CD2 TRP A 51 1.731 -4.373 1.079 1.00 0.00 C ATOM 788 NE1 TRP A 51 1.969 -6.016 2.583 1.00 0.00 N ATOM 789 CE2 TRP A 51 2.670 -5.145 1.791 1.00 0.00 C ATOM 790 CE3 TRP A 51 2.196 -3.399 0.190 1.00 0.00 C ATOM 791 CZ2 TRP A 51 4.043 -4.972 1.641 1.00 0.00 C ATOM 792 CZ3 TRP A 51 3.559 -3.228 0.043 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.470 -4.012 0.764 1.00 0.00 C ATOM 0 H TRP A 51 -3.225 -4.124 0.222 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.798 -4.609 -1.137 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.795 -3.219 0.803 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -1.634 -4.416 1.770 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.163 -6.361 2.886 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.379 -6.704 3.215 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.502 -2.791 -0.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.746 -5.574 2.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.929 -2.477 -0.639 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.529 -3.856 0.625 1.00 0.00 H new ATOM 804 N TYR A 52 -1.649 -7.064 0.912 1.00 0.00 N ATOM 805 CA TYR A 52 -1.514 -8.499 1.135 1.00 0.00 C ATOM 806 C TYR A 52 -2.118 -9.289 -0.022 1.00 0.00 C ATOM 807 O TYR A 52 -1.870 -10.486 -0.166 1.00 0.00 O ATOM 808 CB TYR A 52 -2.191 -8.897 2.448 1.00 0.00 C ATOM 809 CG TYR A 52 -1.377 -8.557 3.676 1.00 0.00 C ATOM 810 CD1 TYR A 52 -0.179 -9.208 3.942 1.00 0.00 C ATOM 811 CD2 TYR A 52 -1.807 -7.584 4.570 1.00 0.00 C ATOM 812 CE1 TYR A 52 0.567 -8.901 5.063 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.066 -7.270 5.693 1.00 0.00 C ATOM 814 CZ TYR A 52 0.120 -7.931 5.936 1.00 0.00 C ATOM 815 OH TYR A 52 0.861 -7.621 7.053 1.00 0.00 O ATOM 0 H TYR A 52 -2.133 -6.564 1.658 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.451 -8.734 1.196 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.158 -8.399 2.514 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.385 -9.970 2.436 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.175 -9.967 3.260 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.736 -7.065 4.384 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.496 -9.418 5.255 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.414 -6.510 6.377 1.00 0.00 H new ATOM 0 HH TYR A 52 0.407 -6.917 7.562 1.00 0.00 H new ATOM 825 N GLU A 53 -2.913 -8.610 -0.843 1.00 0.00 N ATOM 826 CA GLU A 53 -3.553 -9.248 -1.987 1.00 0.00 C ATOM 827 C GLU A 53 -2.535 -9.546 -3.084 1.00 0.00 C ATOM 828 O GLU A 53 -2.396 -10.688 -3.522 1.00 0.00 O ATOM 829 CB GLU A 53 -4.667 -8.357 -2.539 1.00 0.00 C ATOM 830 CG GLU A 53 -6.024 -8.617 -1.908 1.00 0.00 C ATOM 831 CD GLU A 53 -7.168 -8.061 -2.734 1.00 0.00 C ATOM 832 OE1 GLU A 53 -7.156 -6.847 -3.024 1.00 0.00 O ATOM 833 OE2 GLU A 53 -8.076 -8.842 -3.091 1.00 0.00 O ATOM 0 H GLU A 53 -3.129 -7.619 -0.737 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.985 -10.190 -1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.397 -7.313 -2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.742 -8.508 -3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.161 -9.691 -1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.049 -8.172 -0.913 1.00 0.00 H new ATOM 840 N TRP A 54 -1.826 -8.512 -3.521 1.00 0.00 N ATOM 841 CA TRP A 54 -0.820 -8.663 -4.567 1.00 0.00 C ATOM 842 C TRP A 54 0.515 -8.072 -4.128 1.00 0.00 C ATOM 843 O TRP A 54 1.576 -8.629 -4.413 1.00 0.00 O ATOM 844 CB TRP A 54 -1.291 -7.988 -5.857 1.00 0.00 C ATOM 845 CG TRP A 54 -2.779 -8.017 -6.033 1.00 0.00 C ATOM 846 CD1 TRP A 54 -3.631 -6.951 -5.987 1.00 0.00 C ATOM 847 CD2 TRP A 54 -3.590 -9.171 -6.281 1.00 0.00 C ATOM 848 NE1 TRP A 54 -4.923 -7.372 -6.192 1.00 0.00 N ATOM 849 CE2 TRP A 54 -4.925 -8.729 -6.376 1.00 0.00 C ATOM 850 CE3 TRP A 54 -3.320 -10.533 -6.435 1.00 0.00 C ATOM 851 CZ2 TRP A 54 -5.982 -9.602 -6.616 1.00 0.00 C ATOM 852 CZ3 TRP A 54 -4.370 -11.398 -6.673 1.00 0.00 C ATOM 853 CH2 TRP A 54 -5.688 -10.931 -6.762 1.00 0.00 C ATOM 0 H TRP A 54 -1.928 -7.560 -3.168 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.681 -9.728 -4.752 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.952 -6.952 -5.861 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.822 -8.481 -6.709 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.333 -5.927 -5.815 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.747 -6.771 -6.205 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.308 -10.903 -6.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -6.998 -9.244 -6.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.172 -12.453 -6.793 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -6.487 -11.633 -6.949 1.00 0.00 H new ATOM 864 N LEU A 55 0.456 -6.941 -3.433 1.00 0.00 N ATOM 865 CA LEU A 55 1.662 -6.274 -2.954 1.00 0.00 C ATOM 866 C LEU A 55 2.113 -6.858 -1.619 1.00 0.00 C ATOM 867 O LEU A 55 1.697 -6.396 -0.556 1.00 0.00 O ATOM 868 CB LEU A 55 1.414 -4.772 -2.809 1.00 0.00 C ATOM 869 CG LEU A 55 0.387 -4.165 -3.766 1.00 0.00 C ATOM 870 CD1 LEU A 55 0.335 -2.654 -3.605 1.00 0.00 C ATOM 871 CD2 LEU A 55 0.713 -4.539 -5.204 1.00 0.00 C ATOM 0 H LEU A 55 -0.413 -6.467 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 55 2.453 -6.436 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.090 -4.575 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.362 -4.253 -2.948 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.595 -4.570 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.401 -2.240 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.054 -2.407 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.315 -2.231 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.028 -4.099 -5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.703 -4.163 -5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.698 -5.624 -5.310 1.00 0.00 H new ATOM 883 N ASP A 56 2.967 -7.874 -1.681 1.00 0.00 N ATOM 884 CA ASP A 56 3.477 -8.519 -0.477 1.00 0.00 C ATOM 885 C ASP A 56 4.665 -9.418 -0.805 1.00 0.00 C ATOM 886 O ASP A 56 4.705 -10.083 -1.840 1.00 0.00 O ATOM 887 CB ASP A 56 2.374 -9.335 0.197 1.00 0.00 C ATOM 888 CG ASP A 56 2.922 -10.336 1.195 1.00 0.00 C ATOM 889 OD1 ASP A 56 3.647 -11.260 0.771 1.00 0.00 O ATOM 890 OD2 ASP A 56 2.624 -10.197 2.400 1.00 0.00 O ATOM 0 H ASP A 56 3.321 -8.269 -2.553 1.00 0.00 H new ATOM 0 HA ASP A 56 3.812 -7.741 0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.685 -8.660 0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.800 -9.863 -0.564 1.00 0.00 H new ATOM 895 N PRO A 57 5.658 -9.440 0.098 1.00 0.00 N ATOM 896 CA PRO A 57 6.865 -10.253 -0.074 1.00 0.00 C ATOM 897 C PRO A 57 6.582 -11.746 0.057 1.00 0.00 C ATOM 898 O PRO A 57 6.967 -12.537 -0.804 1.00 0.00 O ATOM 899 CB PRO A 57 7.775 -9.780 1.063 1.00 0.00 C ATOM 900 CG PRO A 57 6.844 -9.257 2.101 1.00 0.00 C ATOM 901 CD PRO A 57 5.677 -8.673 1.354 1.00 0.00 C ATOM 0 HA PRO A 57 7.300 -10.132 -1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.381 -10.598 1.451 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.464 -9.007 0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.520 -10.053 2.771 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.331 -8.501 2.717 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.746 -8.788 1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.810 -7.607 1.172 1.00 0.00 H new ATOM 909 N SER A 58 5.907 -12.123 1.138 1.00 0.00 N ATOM 910 CA SER A 58 5.576 -13.522 1.382 1.00 0.00 C ATOM 911 C SER A 58 5.129 -14.207 0.094 1.00 0.00 C ATOM 912 O SER A 58 5.505 -15.348 -0.178 1.00 0.00 O ATOM 913 CB SER A 58 4.475 -13.630 2.438 1.00 0.00 C ATOM 914 OG SER A 58 5.023 -13.657 3.745 1.00 0.00 O ATOM 0 H SER A 58 5.579 -11.480 1.858 1.00 0.00 H new ATOM 0 HA SER A 58 6.472 -14.023 1.748 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.792 -12.786 2.344 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.890 -14.534 2.267 1.00 0.00 H new ATOM 0 HG SER A 58 4.299 -13.725 4.402 1.00 0.00 H new ATOM 920 N ILE A 59 4.325 -13.503 -0.696 1.00 0.00 N ATOM 921 CA ILE A 59 3.828 -14.042 -1.955 1.00 0.00 C ATOM 922 C ILE A 59 4.884 -14.903 -2.640 1.00 0.00 C ATOM 923 O ILE A 59 6.080 -14.621 -2.559 1.00 0.00 O ATOM 924 CB ILE A 59 3.396 -12.919 -2.917 1.00 0.00 C ATOM 925 CG1 ILE A 59 2.348 -12.024 -2.253 1.00 0.00 C ATOM 926 CG2 ILE A 59 2.855 -13.508 -4.211 1.00 0.00 C ATOM 927 CD1 ILE A 59 1.837 -10.921 -3.153 1.00 0.00 C ATOM 0 H ILE A 59 4.004 -12.558 -0.486 1.00 0.00 H new ATOM 0 HA ILE A 59 2.961 -14.657 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 59 4.268 -12.310 -3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.507 -12.639 -1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.778 -11.579 -1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.554 -12.702 -4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.630 -14.107 -4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.993 -14.138 -3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.098 -10.327 -2.616 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.668 -10.282 -3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.377 -11.358 -4.039 1.00 0.00 H new ATOM 939 N LYS A 60 4.435 -15.956 -3.315 1.00 0.00 N ATOM 940 CA LYS A 60 5.339 -16.858 -4.017 1.00 0.00 C ATOM 941 C LYS A 60 5.403 -16.518 -5.503 1.00 0.00 C ATOM 942 O LYS A 60 5.560 -17.400 -6.347 1.00 0.00 O ATOM 943 CB LYS A 60 4.888 -18.309 -3.835 1.00 0.00 C ATOM 944 CG LYS A 60 3.389 -18.460 -3.640 1.00 0.00 C ATOM 945 CD LYS A 60 2.617 -17.957 -4.848 1.00 0.00 C ATOM 946 CE LYS A 60 1.218 -17.498 -4.463 1.00 0.00 C ATOM 947 NZ LYS A 60 0.249 -17.677 -5.579 1.00 0.00 N ATOM 0 H LYS A 60 3.449 -16.205 -3.390 1.00 0.00 H new ATOM 0 HA LYS A 60 6.335 -16.737 -3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.193 -18.887 -4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.403 -18.735 -2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.148 -19.508 -3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.079 -17.908 -2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.158 -17.131 -5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.549 -18.749 -5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.878 -18.060 -3.593 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.247 -16.448 -4.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.692 -17.353 -5.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.560 -17.121 -6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.202 -18.683 -5.840 1.00 0.00 H new ATOM 961 N LYS A 61 5.281 -15.232 -5.816 1.00 0.00 N ATOM 962 CA LYS A 61 5.327 -14.774 -7.199 1.00 0.00 C ATOM 963 C LYS A 61 6.679 -14.143 -7.519 1.00 0.00 C ATOM 964 O LYS A 61 7.299 -13.511 -6.662 1.00 0.00 O ATOM 965 CB LYS A 61 4.207 -13.765 -7.462 1.00 0.00 C ATOM 966 CG LYS A 61 3.782 -13.692 -8.918 1.00 0.00 C ATOM 967 CD LYS A 61 2.664 -14.674 -9.222 1.00 0.00 C ATOM 968 CE LYS A 61 3.211 -16.024 -9.662 1.00 0.00 C ATOM 969 NZ LYS A 61 2.140 -16.908 -10.199 1.00 0.00 N ATOM 0 H LYS A 61 5.149 -14.489 -5.130 1.00 0.00 H new ATOM 0 HA LYS A 61 5.187 -15.640 -7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.342 -14.028 -6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.536 -12.777 -7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.452 -12.680 -9.151 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.638 -13.904 -9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.042 -14.804 -8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.024 -14.267 -10.005 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.975 -15.875 -10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.695 -16.513 -8.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.553 -17.818 -10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.423 -17.071 -9.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.695 -16.453 -11.022 1.00 0.00 H new ATOM 983 N THR A 62 7.131 -14.317 -8.757 1.00 0.00 N ATOM 984 CA THR A 62 8.409 -13.765 -9.189 1.00 0.00 C ATOM 985 C THR A 62 8.488 -12.270 -8.900 1.00 0.00 C ATOM 986 O THR A 62 7.545 -11.527 -9.170 1.00 0.00 O ATOM 987 CB THR A 62 8.642 -13.999 -10.693 1.00 0.00 C ATOM 988 OG1 THR A 62 9.965 -13.586 -11.054 1.00 0.00 O ATOM 989 CG2 THR A 62 7.622 -13.233 -11.524 1.00 0.00 C ATOM 0 H THR A 62 6.631 -14.836 -9.478 1.00 0.00 H new ATOM 0 HA THR A 62 9.184 -14.283 -8.624 1.00 0.00 H new ATOM 0 HB THR A 62 8.526 -15.064 -10.895 1.00 0.00 H new ATOM 0 HG1 THR A 62 10.106 -13.740 -12.012 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.806 -13.413 -12.583 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.617 -13.570 -11.268 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.711 -12.167 -11.317 1.00 0.00 H new ATOM 997 N GLU A 63 9.618 -11.838 -8.350 1.00 0.00 N ATOM 998 CA GLU A 63 9.818 -10.430 -8.025 1.00 0.00 C ATOM 999 C GLU A 63 10.404 -9.675 -9.214 1.00 0.00 C ATOM 1000 O GLU A 63 11.083 -10.258 -10.059 1.00 0.00 O ATOM 1001 CB GLU A 63 10.742 -10.291 -6.813 1.00 0.00 C ATOM 1002 CG GLU A 63 10.058 -10.587 -5.489 1.00 0.00 C ATOM 1003 CD GLU A 63 8.724 -9.881 -5.351 1.00 0.00 C ATOM 1004 OE1 GLU A 63 8.584 -8.765 -5.895 1.00 0.00 O ATOM 1005 OE2 GLU A 63 7.819 -10.442 -4.698 1.00 0.00 O ATOM 0 H GLU A 63 10.408 -12.441 -8.120 1.00 0.00 H new ATOM 0 HA GLU A 63 8.847 -9.997 -7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.589 -10.966 -6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.143 -9.278 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.907 -11.662 -5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.712 -10.284 -4.671 1.00 0.00 H new ATOM 1012 N TRP A 64 10.135 -8.376 -9.272 1.00 0.00 N ATOM 1013 CA TRP A 64 10.635 -7.540 -10.359 1.00 0.00 C ATOM 1014 C TRP A 64 12.130 -7.753 -10.566 1.00 0.00 C ATOM 1015 O TRP A 64 12.951 -7.247 -9.800 1.00 0.00 O ATOM 1016 CB TRP A 64 10.353 -6.066 -10.066 1.00 0.00 C ATOM 1017 CG TRP A 64 10.385 -5.733 -8.605 1.00 0.00 C ATOM 1018 CD1 TRP A 64 11.194 -6.290 -7.656 1.00 0.00 C ATOM 1019 CD2 TRP A 64 9.572 -4.769 -7.927 1.00 0.00 C ATOM 1020 NE1 TRP A 64 10.932 -5.729 -6.428 1.00 0.00 N ATOM 1021 CE2 TRP A 64 9.942 -4.793 -6.568 1.00 0.00 C ATOM 1022 CE3 TRP A 64 8.569 -3.886 -8.336 1.00 0.00 C ATOM 1023 CZ2 TRP A 64 9.343 -3.970 -5.619 1.00 0.00 C ATOM 1024 CZ3 TRP A 64 7.975 -3.070 -7.393 1.00 0.00 C ATOM 1025 CH2 TRP A 64 8.363 -3.115 -6.048 1.00 0.00 C ATOM 0 H TRP A 64 9.574 -7.878 -8.580 1.00 0.00 H new ATOM 0 HA TRP A 64 10.116 -7.827 -11.274 1.00 0.00 H new ATOM 0 HB2 TRP A 64 11.088 -5.453 -10.587 1.00 0.00 H new ATOM 0 HB3 TRP A 64 9.375 -5.804 -10.470 1.00 0.00 H new ATOM 0 HD1 TRP A 64 11.931 -7.058 -7.842 1.00 0.00 H new ATOM 0 HE1 TRP A 64 11.399 -5.971 -5.554 1.00 0.00 H new ATOM 0 HE3 TRP A 64 8.264 -3.842 -9.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 9.640 -4.004 -4.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 7.198 -2.385 -7.698 1.00 0.00 H new ATOM 0 HH2 TRP A 64 7.880 -2.463 -5.335 1.00 0.00 H new ATOM 1036 N SER A 65 12.479 -8.505 -11.605 1.00 0.00 N ATOM 1037 CA SER A 65 13.876 -8.788 -11.910 1.00 0.00 C ATOM 1038 C SER A 65 14.489 -7.663 -12.739 1.00 0.00 C ATOM 1039 O SER A 65 13.960 -7.288 -13.784 1.00 0.00 O ATOM 1040 CB SER A 65 13.998 -10.115 -12.661 1.00 0.00 C ATOM 1041 OG SER A 65 15.301 -10.283 -13.192 1.00 0.00 O ATOM 0 H SER A 65 11.813 -8.929 -12.250 1.00 0.00 H new ATOM 0 HA SER A 65 14.420 -8.861 -10.968 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.767 -10.940 -11.987 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.266 -10.148 -13.468 1.00 0.00 H new ATOM 0 HG SER A 65 15.353 -11.139 -13.666 1.00 0.00 H new ATOM 1047 N GLY A 66 15.611 -7.129 -12.264 1.00 0.00 N ATOM 1048 CA GLY A 66 16.278 -6.053 -12.972 1.00 0.00 C ATOM 1049 C GLY A 66 17.776 -6.267 -13.073 1.00 0.00 C ATOM 1050 O GLY A 66 18.268 -6.942 -13.977 1.00 0.00 O ATOM 0 H GLY A 66 16.069 -7.423 -11.401 1.00 0.00 H new ATOM 0 HA2 GLY A 66 15.858 -5.966 -13.974 1.00 0.00 H new ATOM 0 HA3 GLY A 66 16.082 -5.110 -12.462 1.00 0.00 H new ATOM 1054 N PRO A 67 18.526 -5.680 -12.128 1.00 0.00 N ATOM 1055 CA PRO A 67 19.987 -5.795 -12.094 1.00 0.00 C ATOM 1056 C PRO A 67 20.450 -7.201 -11.728 1.00 0.00 C ATOM 1057 O PRO A 67 21.649 -7.466 -11.638 1.00 0.00 O ATOM 1058 CB PRO A 67 20.395 -4.797 -11.007 1.00 0.00 C ATOM 1059 CG PRO A 67 19.200 -4.689 -10.124 1.00 0.00 C ATOM 1060 CD PRO A 67 18.006 -4.861 -11.021 1.00 0.00 C ATOM 0 HA PRO A 67 20.435 -5.594 -13.067 1.00 0.00 H new ATOM 0 HB2 PRO A 67 21.266 -5.149 -10.453 1.00 0.00 H new ATOM 0 HB3 PRO A 67 20.659 -3.830 -11.436 1.00 0.00 H new ATOM 0 HG2 PRO A 67 19.218 -5.454 -9.347 1.00 0.00 H new ATOM 0 HG3 PRO A 67 19.173 -3.723 -9.620 1.00 0.00 H new ATOM 0 HD2 PRO A 67 17.184 -5.358 -10.505 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.627 -3.902 -11.374 1.00 0.00 H new ATOM 1068 N SER A 68 19.492 -8.098 -11.517 1.00 0.00 N ATOM 1069 CA SER A 68 19.802 -9.477 -11.157 1.00 0.00 C ATOM 1070 C SER A 68 21.081 -9.944 -11.846 1.00 0.00 C ATOM 1071 O SER A 68 21.177 -9.934 -13.073 1.00 0.00 O ATOM 1072 CB SER A 68 18.641 -10.398 -11.535 1.00 0.00 C ATOM 1073 OG SER A 68 17.559 -10.252 -10.631 1.00 0.00 O ATOM 0 H SER A 68 18.495 -7.895 -11.589 1.00 0.00 H new ATOM 0 HA SER A 68 19.954 -9.519 -10.079 1.00 0.00 H new ATOM 0 HB2 SER A 68 18.307 -10.170 -12.547 1.00 0.00 H new ATOM 0 HB3 SER A 68 18.980 -11.434 -11.537 1.00 0.00 H new ATOM 0 HG SER A 68 16.829 -10.850 -10.895 1.00 0.00 H new ATOM 1079 N SER A 69 22.062 -10.351 -11.047 1.00 0.00 N ATOM 1080 CA SER A 69 23.337 -10.818 -11.578 1.00 0.00 C ATOM 1081 C SER A 69 23.131 -11.614 -12.863 1.00 0.00 C ATOM 1082 O SER A 69 22.631 -12.737 -12.839 1.00 0.00 O ATOM 1083 CB SER A 69 24.060 -11.681 -10.541 1.00 0.00 C ATOM 1084 OG SER A 69 24.294 -10.954 -9.347 1.00 0.00 O ATOM 0 H SER A 69 21.998 -10.367 -10.029 1.00 0.00 H new ATOM 0 HA SER A 69 23.949 -9.945 -11.805 1.00 0.00 H new ATOM 0 HB2 SER A 69 23.464 -12.566 -10.321 1.00 0.00 H new ATOM 0 HB3 SER A 69 25.008 -12.029 -10.950 1.00 0.00 H new ATOM 0 HG SER A 69 24.755 -11.527 -8.700 1.00 0.00 H new ATOM 1090 N GLY A 70 23.522 -11.020 -13.988 1.00 0.00 N ATOM 1091 CA GLY A 70 23.373 -11.686 -15.268 1.00 0.00 C ATOM 1092 C GLY A 70 22.128 -12.549 -15.331 1.00 0.00 C ATOM 1093 O GLY A 70 22.181 -13.748 -15.054 1.00 0.00 O ATOM 0 H GLY A 70 23.939 -10.090 -14.034 1.00 0.00 H new ATOM 0 HA2 GLY A 70 23.334 -10.939 -16.061 1.00 0.00 H new ATOM 0 HA3 GLY A 70 24.250 -12.305 -15.456 1.00 0.00 H new TER 1097 GLY A 70