USER MOD reduce.3.24.130724 H: found=0, std=0, add=463, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 377 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0762 (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 180:sc= -0.139 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 52:sc= -0.118 USER MOD Single : A 13 HIS : no HD1:sc= -0.553 X(o=-0.55,f=-0.28) USER MOD Single : A 18 GLN : amide:sc= -2.74! C(o=-2.7!,f=-10!) USER MOD Single : A 25 GLN : amide:sc= -0.846 K(o=-0.85,f=-0.18) USER MOD Single : A 28 GLN : amide:sc= 0.102 X(o=0.1,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.377 K(o=-0.38,f=-2.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 59:sc= 0.271 USER MOD Single : A 37 HIS : no HD1:sc= -2.26! X(o=-2.3!,f=-2.2) USER MOD Single : A 40 ASN : amide:sc= -1.42 K(o=-1.4,f=-0.88) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 45 GLN : amide:sc= -4.01! C(o=-4!,f=-2.5!) USER MOD Single : A 46 CYS SG : rot 95:sc= -0.538 USER MOD Single : A 47 GLN : amide:sc= -9.03! C(o=-9!,f=-10!) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0341 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.850 7.265 -20.622 1.00 0.00 N ATOM 2 CA GLY A 1 3.657 8.605 -20.096 1.00 0.00 C ATOM 3 C GLY A 1 2.172 8.902 -19.882 1.00 0.00 C ATOM 4 O GLY A 1 1.314 8.283 -20.509 1.00 0.00 O ATOM 0 H1 GLY A 1 4.286 6.665 -19.893 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.930 6.864 -20.896 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.472 7.305 -21.454 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.192 8.709 -19.152 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.082 9.335 -20.785 1.00 0.00 H new ATOM 8 N SER A 2 1.913 9.849 -18.992 1.00 0.00 N ATOM 9 CA SER A 2 0.546 10.236 -18.687 1.00 0.00 C ATOM 10 C SER A 2 -0.159 9.111 -17.926 1.00 0.00 C ATOM 11 O SER A 2 -0.444 9.245 -16.737 1.00 0.00 O ATOM 12 CB SER A 2 -0.227 10.579 -19.962 1.00 0.00 C ATOM 13 OG SER A 2 -0.481 11.977 -20.073 1.00 0.00 O ATOM 0 H SER A 2 2.627 10.360 -18.472 1.00 0.00 H new ATOM 0 HA SER A 2 0.575 11.128 -18.061 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.340 10.243 -20.831 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.173 10.037 -19.969 1.00 0.00 H new ATOM 0 HG SER A 2 -0.975 12.155 -20.901 1.00 0.00 H new ATOM 18 N SER A 3 -0.419 8.028 -18.642 1.00 0.00 N ATOM 19 CA SER A 3 -1.084 6.880 -18.050 1.00 0.00 C ATOM 20 C SER A 3 -0.053 5.816 -17.667 1.00 0.00 C ATOM 21 O SER A 3 0.738 5.386 -18.504 1.00 0.00 O ATOM 22 CB SER A 3 -2.124 6.292 -19.005 1.00 0.00 C ATOM 23 OG SER A 3 -3.312 5.894 -18.324 1.00 0.00 O ATOM 0 H SER A 3 -0.181 7.921 -19.628 1.00 0.00 H new ATOM 0 HA SER A 3 -1.603 7.213 -17.151 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.374 7.030 -19.768 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.697 5.432 -19.521 1.00 0.00 H new ATOM 0 HG SER A 3 -3.951 5.526 -18.969 1.00 0.00 H new ATOM 28 N GLY A 4 -0.096 5.423 -16.403 1.00 0.00 N ATOM 29 CA GLY A 4 0.824 4.418 -15.900 1.00 0.00 C ATOM 30 C GLY A 4 1.762 5.012 -14.846 1.00 0.00 C ATOM 31 O GLY A 4 2.059 6.204 -14.876 1.00 0.00 O ATOM 0 H GLY A 4 -0.754 5.783 -15.712 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.263 3.590 -15.467 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.409 4.010 -16.724 1.00 0.00 H new ATOM 35 N SER A 5 2.200 4.151 -13.940 1.00 0.00 N ATOM 36 CA SER A 5 3.098 4.575 -12.879 1.00 0.00 C ATOM 37 C SER A 5 4.500 4.813 -13.443 1.00 0.00 C ATOM 38 O SER A 5 4.840 4.299 -14.507 1.00 0.00 O ATOM 39 CB SER A 5 3.148 3.540 -11.752 1.00 0.00 C ATOM 40 OG SER A 5 4.244 3.764 -10.869 1.00 0.00 O ATOM 0 H SER A 5 1.950 3.162 -13.918 1.00 0.00 H new ATOM 0 HA SER A 5 2.718 5.508 -12.463 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.216 3.573 -11.188 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.226 2.541 -12.181 1.00 0.00 H new ATOM 0 HG SER A 5 4.240 3.084 -10.163 1.00 0.00 H new ATOM 45 N SER A 6 5.276 5.592 -12.703 1.00 0.00 N ATOM 46 CA SER A 6 6.634 5.904 -13.116 1.00 0.00 C ATOM 47 C SER A 6 7.635 5.235 -12.174 1.00 0.00 C ATOM 48 O SER A 6 7.519 5.352 -10.954 1.00 0.00 O ATOM 49 CB SER A 6 6.866 7.416 -13.150 1.00 0.00 C ATOM 50 OG SER A 6 6.823 7.934 -14.477 1.00 0.00 O ATOM 0 H SER A 6 4.990 6.016 -11.820 1.00 0.00 H new ATOM 0 HA SER A 6 6.781 5.518 -14.125 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.109 7.912 -12.543 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.834 7.644 -12.703 1.00 0.00 H new ATOM 0 HG SER A 6 6.974 8.902 -14.455 1.00 0.00 H new ATOM 55 N GLY A 7 8.596 4.548 -12.773 1.00 0.00 N ATOM 56 CA GLY A 7 9.617 3.859 -12.001 1.00 0.00 C ATOM 57 C GLY A 7 9.233 2.398 -11.764 1.00 0.00 C ATOM 58 O GLY A 7 8.113 1.989 -12.066 1.00 0.00 O ATOM 0 H GLY A 7 8.690 4.453 -13.784 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.570 3.907 -12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.756 4.362 -11.044 1.00 0.00 H new ATOM 62 N LYS A 8 10.185 1.648 -11.225 1.00 0.00 N ATOM 63 CA LYS A 8 9.960 0.241 -10.945 1.00 0.00 C ATOM 64 C LYS A 8 10.060 0.004 -9.437 1.00 0.00 C ATOM 65 O LYS A 8 11.039 0.402 -8.806 1.00 0.00 O ATOM 66 CB LYS A 8 10.911 -0.629 -11.769 1.00 0.00 C ATOM 67 CG LYS A 8 12.369 -0.355 -11.391 1.00 0.00 C ATOM 68 CD LYS A 8 13.071 -1.642 -10.952 1.00 0.00 C ATOM 69 CE LYS A 8 13.297 -1.653 -9.439 1.00 0.00 C ATOM 70 NZ LYS A 8 14.591 -2.292 -9.113 1.00 0.00 N ATOM 0 H LYS A 8 11.113 1.989 -10.975 1.00 0.00 H new ATOM 0 HA LYS A 8 8.955 -0.052 -11.249 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.681 -1.682 -11.606 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.763 -0.431 -12.831 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.894 0.078 -12.242 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.408 0.378 -10.585 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.470 -2.505 -11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.027 -1.733 -11.467 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.282 -0.633 -9.056 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.486 -2.190 -8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.729 -2.291 -8.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.592 -3.272 -9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.363 -1.763 -9.566 1.00 0.00 H new ATOM 79 N VAL A 9 9.036 -0.644 -8.902 1.00 0.00 N ATOM 80 CA VAL A 9 8.997 -0.938 -7.479 1.00 0.00 C ATOM 81 C VAL A 9 8.531 -2.381 -7.275 1.00 0.00 C ATOM 82 O VAL A 9 7.669 -2.869 -8.006 1.00 0.00 O ATOM 83 CB VAL A 9 8.116 0.083 -6.757 1.00 0.00 C ATOM 84 CG1 VAL A 9 7.823 -0.363 -5.323 1.00 0.00 C ATOM 85 CG2 VAL A 9 8.754 1.472 -6.781 1.00 0.00 C ATOM 0 H VAL A 9 8.227 -0.974 -9.428 1.00 0.00 H new ATOM 0 HA VAL A 9 9.992 -0.852 -7.043 1.00 0.00 H new ATOM 0 HB VAL A 9 7.167 0.143 -7.289 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.195 0.380 -4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.305 -1.322 -5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.760 -0.465 -4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.107 2.179 -6.261 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.724 1.435 -6.285 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.886 1.794 -7.814 1.00 0.00 H new ATOM 95 N LYS A 10 9.121 -3.024 -6.277 1.00 0.00 N ATOM 96 CA LYS A 10 8.777 -4.402 -5.968 1.00 0.00 C ATOM 97 C LYS A 10 8.290 -4.488 -4.520 1.00 0.00 C ATOM 98 O LYS A 10 8.864 -3.862 -3.630 1.00 0.00 O ATOM 99 CB LYS A 10 9.952 -5.330 -6.277 1.00 0.00 C ATOM 100 CG LYS A 10 9.651 -6.209 -7.494 1.00 0.00 C ATOM 101 CD LYS A 10 10.881 -6.337 -8.395 1.00 0.00 C ATOM 102 CE LYS A 10 10.478 -6.707 -9.824 1.00 0.00 C ATOM 103 NZ LYS A 10 10.179 -5.490 -10.610 1.00 0.00 N ATOM 0 H LYS A 10 9.834 -2.616 -5.673 1.00 0.00 H new ATOM 0 HA LYS A 10 7.958 -4.742 -6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 10 10.848 -4.738 -6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.160 -5.959 -5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 10 9.333 -7.198 -7.163 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.824 -5.781 -8.060 1.00 0.00 H new ATOM 0 HD2 LYS A 10 11.432 -5.396 -8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 10 11.552 -7.097 -7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 10 11.282 -7.267 -10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 10 9.604 -7.358 -9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.907 -5.759 -11.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.397 -4.971 -10.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.023 -4.883 -10.644 1.00 0.00 H new ATOM 112 N TRP A 11 7.236 -5.268 -4.329 1.00 0.00 N ATOM 113 CA TRP A 11 6.666 -5.443 -3.004 1.00 0.00 C ATOM 114 C TRP A 11 6.769 -6.926 -2.638 1.00 0.00 C ATOM 115 O TRP A 11 6.625 -7.793 -3.499 1.00 0.00 O ATOM 116 CB TRP A 11 5.231 -4.913 -2.950 1.00 0.00 C ATOM 117 CG TRP A 11 5.135 -3.390 -2.844 1.00 0.00 C ATOM 118 CD1 TRP A 11 5.675 -2.471 -3.656 1.00 0.00 C ATOM 119 CD2 TRP A 11 4.430 -2.641 -1.831 1.00 0.00 C ATOM 120 NE1 TRP A 11 5.372 -1.189 -3.241 1.00 0.00 N ATOM 121 CE2 TRP A 11 4.591 -1.297 -2.097 1.00 0.00 C ATOM 122 CE3 TRP A 11 3.682 -3.086 -0.727 1.00 0.00 C ATOM 123 CZ2 TRP A 11 4.032 -0.287 -1.304 1.00 0.00 C ATOM 124 CZ3 TRP A 11 3.130 -2.065 0.055 1.00 0.00 C ATOM 125 CH2 TRP A 11 3.283 -0.707 -0.198 1.00 0.00 C ATOM 0 H TRP A 11 6.762 -5.786 -5.069 1.00 0.00 H new ATOM 0 HA TRP A 11 7.219 -4.862 -2.266 1.00 0.00 H new ATOM 0 HB2 TRP A 11 4.700 -5.239 -3.844 1.00 0.00 H new ATOM 0 HB3 TRP A 11 4.721 -5.359 -2.096 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.272 -2.703 -4.525 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.667 -0.323 -3.691 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.544 -4.133 -0.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 4.171 0.759 -1.533 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.544 -2.353 0.915 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.826 0.021 0.456 1.00 0.00 H new ATOM 135 N THR A 12 7.017 -7.171 -1.360 1.00 0.00 N ATOM 136 CA THR A 12 7.141 -8.533 -0.869 1.00 0.00 C ATOM 137 C THR A 12 6.003 -8.856 0.100 1.00 0.00 C ATOM 138 O THR A 12 5.104 -8.041 0.301 1.00 0.00 O ATOM 139 CB THR A 12 8.531 -8.686 -0.247 1.00 0.00 C ATOM 140 OG1 THR A 12 8.587 -10.056 0.143 1.00 0.00 O ATOM 141 CG2 THR A 12 8.672 -7.917 1.068 1.00 0.00 C ATOM 0 H THR A 12 7.135 -6.449 -0.649 1.00 0.00 H new ATOM 0 HA THR A 12 7.050 -9.256 -1.680 1.00 0.00 H new ATOM 0 HB THR A 12 9.285 -8.338 -0.953 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.344 -10.623 -0.618 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.676 -8.059 1.467 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.500 -6.856 0.889 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.941 -8.287 1.786 1.00 0.00 H new ATOM 149 N HIS A 13 6.078 -10.047 0.675 1.00 0.00 N ATOM 150 CA HIS A 13 5.065 -10.489 1.618 1.00 0.00 C ATOM 151 C HIS A 13 5.099 -9.597 2.861 1.00 0.00 C ATOM 152 O HIS A 13 4.146 -9.576 3.640 1.00 0.00 O ATOM 153 CB HIS A 13 5.239 -11.972 1.949 1.00 0.00 C ATOM 154 CG HIS A 13 3.992 -12.798 1.746 1.00 0.00 C ATOM 155 ND1 HIS A 13 3.783 -14.010 2.381 1.00 0.00 N ATOM 156 CD2 HIS A 13 2.889 -12.572 0.976 1.00 0.00 C ATOM 157 CE1 HIS A 13 2.606 -14.484 2.001 1.00 0.00 C ATOM 158 NE2 HIS A 13 2.054 -13.592 1.129 1.00 0.00 N ATOM 0 H HIS A 13 6.825 -10.720 0.506 1.00 0.00 H new ATOM 0 HA HIS A 13 4.077 -10.391 1.168 1.00 0.00 H new ATOM 0 HB2 HIS A 13 6.038 -12.380 1.330 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.560 -12.067 2.986 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.723 -11.709 0.348 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.161 -15.413 2.325 1.00 0.00 H new ATOM 0 HE2 HIS A 13 1.149 -13.692 0.670 1.00 0.00 H new ATOM 165 N GLU A 14 6.204 -8.882 3.009 1.00 0.00 N ATOM 166 CA GLU A 14 6.373 -7.991 4.143 1.00 0.00 C ATOM 167 C GLU A 14 5.547 -6.719 3.947 1.00 0.00 C ATOM 168 O GLU A 14 4.580 -6.484 4.671 1.00 0.00 O ATOM 169 CB GLU A 14 7.851 -7.657 4.363 1.00 0.00 C ATOM 170 CG GLU A 14 8.618 -8.877 4.875 1.00 0.00 C ATOM 171 CD GLU A 14 9.854 -8.453 5.672 1.00 0.00 C ATOM 172 OE1 GLU A 14 10.058 -7.253 5.906 1.00 0.00 O ATOM 173 OE2 GLU A 14 10.617 -9.422 6.052 1.00 0.00 O ATOM 0 H GLU A 14 6.992 -8.902 2.361 1.00 0.00 H new ATOM 0 HA GLU A 14 6.013 -8.500 5.037 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.292 -7.311 3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.940 -6.840 5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.966 -9.483 5.504 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.920 -9.501 4.034 1.00 0.00 H new ATOM 179 N GLU A 15 5.957 -5.931 2.964 1.00 0.00 N ATOM 180 CA GLU A 15 5.266 -4.689 2.663 1.00 0.00 C ATOM 181 C GLU A 15 3.756 -4.925 2.586 1.00 0.00 C ATOM 182 O GLU A 15 2.990 -4.316 3.329 1.00 0.00 O ATOM 183 CB GLU A 15 5.791 -4.070 1.367 1.00 0.00 C ATOM 184 CG GLU A 15 7.245 -3.618 1.523 1.00 0.00 C ATOM 185 CD GLU A 15 7.355 -2.093 1.470 1.00 0.00 C ATOM 186 OE1 GLU A 15 6.443 -1.423 0.965 1.00 0.00 O ATOM 187 OE2 GLU A 15 8.436 -1.608 1.978 1.00 0.00 O ATOM 0 H GLU A 15 6.759 -6.129 2.366 1.00 0.00 H new ATOM 0 HA GLU A 15 5.462 -3.983 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.717 -4.796 0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.170 -3.219 1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.643 -3.982 2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.853 -4.058 0.732 1.00 0.00 H new ATOM 193 N ASP A 16 3.375 -5.813 1.678 1.00 0.00 N ATOM 194 CA ASP A 16 1.971 -6.138 1.495 1.00 0.00 C ATOM 195 C ASP A 16 1.315 -6.342 2.862 1.00 0.00 C ATOM 196 O ASP A 16 0.446 -5.567 3.259 1.00 0.00 O ATOM 197 CB ASP A 16 1.805 -7.431 0.694 1.00 0.00 C ATOM 198 CG ASP A 16 0.387 -8.003 0.675 1.00 0.00 C ATOM 199 OD1 ASP A 16 -0.282 -8.086 1.716 1.00 0.00 O ATOM 200 OD2 ASP A 16 -0.035 -8.379 -0.485 1.00 0.00 O ATOM 0 H ASP A 16 4.014 -6.316 1.062 1.00 0.00 H new ATOM 0 HA ASP A 16 1.503 -5.315 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.120 -7.247 -0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.479 -8.184 1.104 1.00 0.00 H new ATOM 205 N GLU A 17 1.757 -7.388 3.545 1.00 0.00 N ATOM 206 CA GLU A 17 1.224 -7.703 4.859 1.00 0.00 C ATOM 207 C GLU A 17 1.279 -6.470 5.764 1.00 0.00 C ATOM 208 O GLU A 17 0.314 -6.164 6.463 1.00 0.00 O ATOM 209 CB GLU A 17 1.975 -8.878 5.487 1.00 0.00 C ATOM 210 CG GLU A 17 1.654 -10.186 4.761 1.00 0.00 C ATOM 211 CD GLU A 17 0.297 -10.738 5.201 1.00 0.00 C ATOM 212 OE1 GLU A 17 -0.109 -10.539 6.356 1.00 0.00 O ATOM 213 OE2 GLU A 17 -0.345 -11.395 4.296 1.00 0.00 O ATOM 0 H GLU A 17 2.478 -8.028 3.213 1.00 0.00 H new ATOM 0 HA GLU A 17 0.181 -8.000 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.048 -8.691 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.705 -8.966 6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.650 -10.017 3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.433 -10.920 4.966 1.00 0.00 H new ATOM 219 N GLN A 18 2.419 -5.796 5.723 1.00 0.00 N ATOM 220 CA GLN A 18 2.613 -4.603 6.530 1.00 0.00 C ATOM 221 C GLN A 18 1.500 -3.590 6.255 1.00 0.00 C ATOM 222 O GLN A 18 0.775 -3.196 7.169 1.00 0.00 O ATOM 223 CB GLN A 18 3.990 -3.987 6.276 1.00 0.00 C ATOM 224 CG GLN A 18 4.982 -4.395 7.367 1.00 0.00 C ATOM 225 CD GLN A 18 6.201 -5.096 6.765 1.00 0.00 C ATOM 226 OE1 GLN A 18 6.551 -4.908 5.612 1.00 0.00 O ATOM 227 NE2 GLN A 18 6.826 -5.914 7.608 1.00 0.00 N ATOM 0 H GLN A 18 3.218 -6.053 5.143 1.00 0.00 H new ATOM 0 HA GLN A 18 2.567 -4.888 7.581 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.362 -4.307 5.303 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.906 -2.901 6.243 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.302 -3.512 7.921 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.492 -5.058 8.080 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.480 -6.026 8.561 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.651 -6.429 7.301 1.00 0.00 H new ATOM 234 N LEU A 19 1.398 -3.197 4.994 1.00 0.00 N ATOM 235 CA LEU A 19 0.386 -2.238 4.588 1.00 0.00 C ATOM 236 C LEU A 19 -1.002 -2.814 4.876 1.00 0.00 C ATOM 237 O LEU A 19 -1.834 -2.159 5.501 1.00 0.00 O ATOM 238 CB LEU A 19 0.591 -1.827 3.128 1.00 0.00 C ATOM 239 CG LEU A 19 -0.446 -0.862 2.551 1.00 0.00 C ATOM 240 CD1 LEU A 19 -0.424 0.476 3.293 1.00 0.00 C ATOM 241 CD2 LEU A 19 -0.250 -0.684 1.044 1.00 0.00 C ATOM 0 H LEU A 19 2.000 -3.526 4.240 1.00 0.00 H new ATOM 0 HA LEU A 19 0.477 -1.320 5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.576 -1.369 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.600 -2.728 2.515 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.435 -1.296 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.171 1.143 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.649 0.311 4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.563 0.928 3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.000 0.007 0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.745 -0.284 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.355 -1.648 0.547 1.00 0.00 H new ATOM 252 N ARG A 20 -1.209 -4.035 4.405 1.00 0.00 N ATOM 253 CA ARG A 20 -2.481 -4.708 4.602 1.00 0.00 C ATOM 254 C ARG A 20 -2.937 -4.564 6.056 1.00 0.00 C ATOM 255 O ARG A 20 -4.104 -4.278 6.319 1.00 0.00 O ATOM 256 CB ARG A 20 -2.380 -6.194 4.252 1.00 0.00 C ATOM 257 CG ARG A 20 -2.672 -6.428 2.768 1.00 0.00 C ATOM 258 CD ARG A 20 -3.500 -7.699 2.567 1.00 0.00 C ATOM 259 NE ARG A 20 -4.796 -7.364 1.937 1.00 0.00 N ATOM 260 CZ ARG A 20 -5.590 -8.262 1.316 1.00 0.00 C ATOM 261 NH1 ARG A 20 -5.227 -9.559 1.237 1.00 0.00 N ATOM 262 NH2 ARG A 20 -6.729 -7.851 0.788 1.00 0.00 N ATOM 0 H ARG A 20 -0.516 -4.576 3.887 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.209 -4.240 3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.382 -6.561 4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.084 -6.763 4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.209 -5.572 2.360 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.735 -6.509 2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.953 -8.404 1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.668 -8.189 3.526 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.109 -6.394 1.974 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.346 -9.868 1.648 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.833 -10.230 0.766 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.996 -6.869 0.853 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.341 -8.516 0.315 1.00 0.00 H new ATOM 272 N ALA A 21 -1.992 -4.770 6.962 1.00 0.00 N ATOM 273 CA ALA A 21 -2.282 -4.667 8.383 1.00 0.00 C ATOM 274 C ALA A 21 -2.387 -3.191 8.772 1.00 0.00 C ATOM 275 O ALA A 21 -3.401 -2.761 9.318 1.00 0.00 O ATOM 276 CB ALA A 21 -1.203 -5.405 9.178 1.00 0.00 C ATOM 0 H ALA A 21 -1.025 -5.008 6.740 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.237 -5.137 8.616 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.420 -5.328 10.243 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.189 -6.455 8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.230 -4.958 8.972 1.00 0.00 H new ATOM 282 N LEU A 22 -1.324 -2.457 8.473 1.00 0.00 N ATOM 283 CA LEU A 22 -1.284 -1.039 8.785 1.00 0.00 C ATOM 284 C LEU A 22 -2.637 -0.407 8.447 1.00 0.00 C ATOM 285 O LEU A 22 -3.068 0.536 9.107 1.00 0.00 O ATOM 286 CB LEU A 22 -0.101 -0.369 8.084 1.00 0.00 C ATOM 287 CG LEU A 22 1.283 -0.686 8.653 1.00 0.00 C ATOM 288 CD1 LEU A 22 2.387 -0.207 7.709 1.00 0.00 C ATOM 289 CD2 LEU A 22 1.442 -0.108 10.061 1.00 0.00 C ATOM 0 H LEU A 22 -0.485 -2.818 8.018 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.119 -0.889 9.852 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.115 -0.659 7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.248 0.711 8.119 1.00 0.00 H new ATOM 0 HG LEU A 22 1.378 -1.769 8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.361 -0.445 8.138 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.283 -0.705 6.745 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.305 0.871 7.571 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.435 -0.347 10.443 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.318 0.974 10.026 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.687 -0.539 10.719 1.00 0.00 H new ATOM 300 N VAL A 23 -3.269 -0.955 7.420 1.00 0.00 N ATOM 301 CA VAL A 23 -4.563 -0.458 6.986 1.00 0.00 C ATOM 302 C VAL A 23 -5.607 -0.758 8.064 1.00 0.00 C ATOM 303 O VAL A 23 -6.191 0.160 8.638 1.00 0.00 O ATOM 304 CB VAL A 23 -4.923 -1.054 5.624 1.00 0.00 C ATOM 305 CG1 VAL A 23 -6.384 -0.770 5.268 1.00 0.00 C ATOM 306 CG2 VAL A 23 -3.983 -0.537 4.533 1.00 0.00 C ATOM 0 H VAL A 23 -2.909 -1.739 6.876 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.532 0.624 6.855 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.799 -2.135 5.689 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.613 -1.205 4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.035 -1.210 6.024 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.547 0.307 5.231 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.261 -0.976 3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.060 0.548 4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.957 -0.814 4.775 1.00 0.00 H new ATOM 316 N ARG A 24 -5.809 -2.045 8.305 1.00 0.00 N ATOM 317 CA ARG A 24 -6.772 -2.476 9.303 1.00 0.00 C ATOM 318 C ARG A 24 -6.387 -1.935 10.682 1.00 0.00 C ATOM 319 O ARG A 24 -7.255 -1.640 11.502 1.00 0.00 O ATOM 320 CB ARG A 24 -6.853 -4.003 9.367 1.00 0.00 C ATOM 321 CG ARG A 24 -5.847 -4.563 10.375 1.00 0.00 C ATOM 322 CD ARG A 24 -5.717 -6.081 10.233 1.00 0.00 C ATOM 323 NE ARG A 24 -6.120 -6.743 11.495 1.00 0.00 N ATOM 324 CZ ARG A 24 -5.520 -6.531 12.685 1.00 0.00 C ATOM 325 NH1 ARG A 24 -4.484 -5.673 12.787 1.00 0.00 N ATOM 326 NH2 ARG A 24 -5.963 -7.177 13.748 1.00 0.00 N ATOM 0 H ARG A 24 -5.322 -2.803 7.826 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.747 -2.083 9.014 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.862 -4.306 9.648 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.657 -4.423 8.380 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.874 -4.095 10.222 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.165 -4.315 11.388 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.342 -6.433 9.412 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.689 -6.345 9.986 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.900 -7.400 11.463 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.148 -5.178 11.961 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.037 -5.519 13.691 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.747 -7.824 13.662 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.521 -7.029 14.655 1.00 0.00 H new ATOM 336 N GLN A 25 -5.084 -1.821 10.894 1.00 0.00 N ATOM 337 CA GLN A 25 -4.573 -1.319 12.159 1.00 0.00 C ATOM 338 C GLN A 25 -5.383 -0.104 12.615 1.00 0.00 C ATOM 339 O GLN A 25 -6.084 -0.164 13.624 1.00 0.00 O ATOM 340 CB GLN A 25 -3.085 -0.978 12.052 1.00 0.00 C ATOM 341 CG GLN A 25 -2.302 -1.567 13.227 1.00 0.00 C ATOM 342 CD GLN A 25 -1.871 -3.006 12.932 1.00 0.00 C ATOM 343 OE1 GLN A 25 -1.107 -3.278 12.021 1.00 0.00 O ATOM 344 NE2 GLN A 25 -2.403 -3.909 13.751 1.00 0.00 N ATOM 0 H GLN A 25 -4.367 -2.067 10.212 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.680 -2.103 12.908 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.686 -1.365 11.114 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.957 0.104 12.031 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.423 -0.954 13.427 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.917 -1.545 14.126 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.036 -3.613 14.494 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.178 -4.897 13.636 1.00 0.00 H new ATOM 351 N PHE A 26 -5.260 0.970 11.849 1.00 0.00 N ATOM 352 CA PHE A 26 -5.972 2.197 12.162 1.00 0.00 C ATOM 353 C PHE A 26 -7.010 2.519 11.084 1.00 0.00 C ATOM 354 O PHE A 26 -8.165 2.804 11.395 1.00 0.00 O ATOM 355 CB PHE A 26 -4.933 3.320 12.204 1.00 0.00 C ATOM 356 CG PHE A 26 -3.667 2.967 12.988 1.00 0.00 C ATOM 357 CD1 PHE A 26 -3.602 3.221 14.323 1.00 0.00 C ATOM 358 CD2 PHE A 26 -2.608 2.399 12.352 1.00 0.00 C ATOM 359 CE1 PHE A 26 -2.428 2.894 15.052 1.00 0.00 C ATOM 360 CE2 PHE A 26 -1.434 2.072 13.080 1.00 0.00 C ATOM 361 CZ PHE A 26 -1.368 2.326 14.414 1.00 0.00 C ATOM 0 H PHE A 26 -4.678 1.016 11.013 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.495 2.091 13.112 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.655 3.582 11.183 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.388 4.206 12.648 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.443 3.671 14.828 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.660 2.196 11.292 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.376 3.096 16.112 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.593 1.621 12.574 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.475 2.077 14.968 1.00 0.00 H new ATOM 370 N GLY A 27 -6.560 2.463 9.839 1.00 0.00 N ATOM 371 CA GLY A 27 -7.435 2.745 8.714 1.00 0.00 C ATOM 372 C GLY A 27 -6.639 3.283 7.523 1.00 0.00 C ATOM 373 O GLY A 27 -5.848 4.213 7.670 1.00 0.00 O ATOM 0 H GLY A 27 -5.601 2.227 9.585 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.963 1.837 8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.191 3.473 9.010 1.00 0.00 H new ATOM 377 N GLN A 28 -6.878 2.675 6.369 1.00 0.00 N ATOM 378 CA GLN A 28 -6.194 3.083 5.154 1.00 0.00 C ATOM 379 C GLN A 28 -6.479 4.556 4.853 1.00 0.00 C ATOM 380 O GLN A 28 -5.665 5.232 4.224 1.00 0.00 O ATOM 381 CB GLN A 28 -6.596 2.194 3.976 1.00 0.00 C ATOM 382 CG GLN A 28 -8.102 1.920 3.984 1.00 0.00 C ATOM 383 CD GLN A 28 -8.697 2.085 2.584 1.00 0.00 C ATOM 384 OE1 GLN A 28 -8.938 3.184 2.111 1.00 0.00 O ATOM 385 NE2 GLN A 28 -8.921 0.937 1.953 1.00 0.00 N ATOM 0 H GLN A 28 -7.535 1.904 6.251 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.121 2.966 5.306 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.316 2.676 3.040 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.051 1.251 4.025 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.289 0.909 4.346 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.596 2.603 4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.696 0.052 2.408 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.318 0.940 1.014 1.00 0.00 H new ATOM 392 N GLN A 29 -7.634 5.009 5.315 1.00 0.00 N ATOM 393 CA GLN A 29 -8.035 6.389 5.104 1.00 0.00 C ATOM 394 C GLN A 29 -6.838 7.324 5.287 1.00 0.00 C ATOM 395 O GLN A 29 -6.574 8.174 4.439 1.00 0.00 O ATOM 396 CB GLN A 29 -9.183 6.776 6.038 1.00 0.00 C ATOM 397 CG GLN A 29 -10.501 6.156 5.573 1.00 0.00 C ATOM 398 CD GLN A 29 -10.785 4.848 6.315 1.00 0.00 C ATOM 399 OE1 GLN A 29 -10.224 4.565 7.361 1.00 0.00 O ATOM 400 NE2 GLN A 29 -11.683 4.071 5.718 1.00 0.00 N ATOM 0 H GLN A 29 -8.306 4.445 5.835 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.395 6.490 4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.959 6.445 7.052 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.279 7.861 6.071 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.317 6.859 5.742 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.460 5.968 4.500 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.114 4.369 4.843 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.941 3.176 6.135 1.00 0.00 H new ATOM 407 N ASP A 30 -6.146 7.136 6.401 1.00 0.00 N ATOM 408 CA ASP A 30 -4.983 7.952 6.708 1.00 0.00 C ATOM 409 C ASP A 30 -3.739 7.309 6.092 1.00 0.00 C ATOM 410 O ASP A 30 -3.003 6.597 6.773 1.00 0.00 O ATOM 411 CB ASP A 30 -4.765 8.053 8.219 1.00 0.00 C ATOM 412 CG ASP A 30 -5.842 8.832 8.976 1.00 0.00 C ATOM 413 OD1 ASP A 30 -5.539 9.635 9.871 1.00 0.00 O ATOM 414 OD2 ASP A 30 -7.054 8.582 8.611 1.00 0.00 O ATOM 0 H ASP A 30 -6.368 6.430 7.103 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.152 8.949 6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.709 7.045 8.631 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.800 8.526 8.401 1.00 0.00 H new ATOM 419 N TRP A 31 -3.542 7.585 4.812 1.00 0.00 N ATOM 420 CA TRP A 31 -2.399 7.043 4.097 1.00 0.00 C ATOM 421 C TRP A 31 -1.170 7.875 4.470 1.00 0.00 C ATOM 422 O TRP A 31 -0.118 7.325 4.793 1.00 0.00 O ATOM 423 CB TRP A 31 -2.661 7.007 2.590 1.00 0.00 C ATOM 424 CG TRP A 31 -3.710 5.977 2.165 1.00 0.00 C ATOM 425 CD1 TRP A 31 -5.018 6.170 1.955 1.00 0.00 C ATOM 426 CD2 TRP A 31 -3.482 4.575 1.906 1.00 0.00 C ATOM 427 NE1 TRP A 31 -5.649 5.001 1.579 1.00 0.00 N ATOM 428 CE2 TRP A 31 -4.685 4.000 1.550 1.00 0.00 C ATOM 429 CE3 TRP A 31 -2.298 3.818 1.970 1.00 0.00 C ATOM 430 CZ2 TRP A 31 -4.822 2.644 1.230 1.00 0.00 C ATOM 431 CZ3 TRP A 31 -2.452 2.465 1.648 1.00 0.00 C ATOM 432 CH2 TRP A 31 -3.656 1.870 1.288 1.00 0.00 C ATOM 0 H TRP A 31 -4.155 8.177 4.251 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.220 6.007 4.386 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -2.985 7.996 2.264 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -1.725 6.792 2.074 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -5.517 7.121 2.066 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.640 4.892 1.362 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -1.346 4.247 2.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.775 2.218 0.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.573 1.838 1.681 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.692 0.816 1.054 1.00 0.00 H new ATOM 442 N LYS A 32 -1.344 9.187 4.413 1.00 0.00 N ATOM 443 CA LYS A 32 -0.263 10.100 4.740 1.00 0.00 C ATOM 444 C LYS A 32 0.516 9.553 5.938 1.00 0.00 C ATOM 445 O LYS A 32 1.739 9.670 5.995 1.00 0.00 O ATOM 446 CB LYS A 32 -0.802 11.516 4.952 1.00 0.00 C ATOM 447 CG LYS A 32 -0.663 12.352 3.678 1.00 0.00 C ATOM 448 CD LYS A 32 0.470 13.371 3.813 1.00 0.00 C ATOM 449 CE LYS A 32 0.978 13.811 2.438 1.00 0.00 C ATOM 450 NZ LYS A 32 1.441 15.216 2.481 1.00 0.00 N ATOM 0 H LYS A 32 -2.218 9.639 4.145 1.00 0.00 H new ATOM 0 HA LYS A 32 0.438 10.172 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.850 11.470 5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.261 11.997 5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.469 11.697 2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.600 12.870 3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.118 14.240 4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.289 12.936 4.385 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.795 13.162 2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.183 13.706 1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.782 15.498 1.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.652 15.833 2.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.214 15.306 3.171 1.00 0.00 H new ATOM 459 N PHE A 33 -0.225 8.967 6.867 1.00 0.00 N ATOM 460 CA PHE A 33 0.380 8.402 8.061 1.00 0.00 C ATOM 461 C PHE A 33 1.004 7.037 7.765 1.00 0.00 C ATOM 462 O PHE A 33 2.194 6.831 7.995 1.00 0.00 O ATOM 463 CB PHE A 33 -0.739 8.227 9.090 1.00 0.00 C ATOM 464 CG PHE A 33 -0.354 7.353 10.285 1.00 0.00 C ATOM 465 CD1 PHE A 33 0.882 7.468 10.841 1.00 0.00 C ATOM 466 CD2 PHE A 33 -1.247 6.462 10.792 1.00 0.00 C ATOM 467 CE1 PHE A 33 1.240 6.658 11.951 1.00 0.00 C ATOM 468 CE2 PHE A 33 -0.890 5.652 11.902 1.00 0.00 C ATOM 469 CZ PHE A 33 0.346 5.767 12.459 1.00 0.00 C ATOM 0 H PHE A 33 -1.239 8.871 6.817 1.00 0.00 H new ATOM 0 HA PHE A 33 1.168 9.060 8.426 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.041 9.209 9.454 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.607 7.789 8.597 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.591 8.176 10.438 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.228 6.370 10.350 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.222 6.749 12.392 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.600 4.944 12.304 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.617 5.151 13.304 1.00 0.00 H new ATOM 478 N LEU A 34 0.171 6.138 7.260 1.00 0.00 N ATOM 479 CA LEU A 34 0.625 4.798 6.930 1.00 0.00 C ATOM 480 C LEU A 34 1.970 4.884 6.208 1.00 0.00 C ATOM 481 O LEU A 34 2.953 4.287 6.645 1.00 0.00 O ATOM 482 CB LEU A 34 -0.450 4.046 6.142 1.00 0.00 C ATOM 483 CG LEU A 34 -1.752 3.756 6.891 1.00 0.00 C ATOM 484 CD1 LEU A 34 -2.845 3.288 5.929 1.00 0.00 C ATOM 485 CD2 LEU A 34 -1.520 2.757 8.026 1.00 0.00 C ATOM 0 H LEU A 34 -0.816 6.312 7.071 1.00 0.00 H new ATOM 0 HA LEU A 34 0.787 4.216 7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.689 4.624 5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.029 3.099 5.805 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.099 4.684 7.345 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.760 3.089 6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.034 4.064 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.521 2.377 5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.461 2.568 8.542 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.137 1.823 7.616 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.796 3.168 8.730 1.00 0.00 H new ATOM 496 N ALA A 35 1.972 5.630 5.113 1.00 0.00 N ATOM 497 CA ALA A 35 3.181 5.803 4.326 1.00 0.00 C ATOM 498 C ALA A 35 4.380 5.951 5.265 1.00 0.00 C ATOM 499 O ALA A 35 5.450 5.404 5.004 1.00 0.00 O ATOM 500 CB ALA A 35 3.018 7.005 3.394 1.00 0.00 C ATOM 0 H ALA A 35 1.155 6.122 4.752 1.00 0.00 H new ATOM 0 HA ALA A 35 3.359 4.928 3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.926 7.134 2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.173 6.836 2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.840 7.903 3.986 1.00 0.00 H new ATOM 506 N SER A 36 4.160 6.695 6.340 1.00 0.00 N ATOM 507 CA SER A 36 5.208 6.923 7.320 1.00 0.00 C ATOM 508 C SER A 36 5.979 5.625 7.574 1.00 0.00 C ATOM 509 O SER A 36 7.206 5.604 7.505 1.00 0.00 O ATOM 510 CB SER A 36 4.631 7.461 8.630 1.00 0.00 C ATOM 511 OG SER A 36 3.777 8.581 8.416 1.00 0.00 O ATOM 0 H SER A 36 3.271 7.147 6.553 1.00 0.00 H new ATOM 0 HA SER A 36 5.891 7.673 6.920 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.073 6.671 9.132 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.446 7.748 9.294 1.00 0.00 H new ATOM 0 HG SER A 36 3.043 8.324 7.819 1.00 0.00 H new ATOM 516 N HIS A 37 5.225 4.574 7.862 1.00 0.00 N ATOM 517 CA HIS A 37 5.822 3.275 8.126 1.00 0.00 C ATOM 518 C HIS A 37 6.854 2.954 7.043 1.00 0.00 C ATOM 519 O HIS A 37 7.928 2.434 7.339 1.00 0.00 O ATOM 520 CB HIS A 37 4.743 2.198 8.253 1.00 0.00 C ATOM 521 CG HIS A 37 4.482 1.755 9.673 1.00 0.00 C ATOM 522 ND1 HIS A 37 4.816 0.495 10.139 1.00 0.00 N ATOM 523 CD2 HIS A 37 3.917 2.416 10.724 1.00 0.00 C ATOM 524 CE1 HIS A 37 4.463 0.413 11.413 1.00 0.00 C ATOM 525 NE2 HIS A 37 3.905 1.605 11.774 1.00 0.00 N ATOM 0 H HIS A 37 4.207 4.595 7.918 1.00 0.00 H new ATOM 0 HA HIS A 37 6.345 3.299 9.082 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.815 2.576 7.825 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.038 1.331 7.661 1.00 0.00 H new ATOM 0 HD2 HIS A 37 3.543 3.429 10.705 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.594 -0.446 12.054 1.00 0.00 H new ATOM 0 HE2 HIS A 37 3.539 1.834 12.698 1.00 0.00 H new ATOM 532 N PHE A 38 6.492 3.280 5.810 1.00 0.00 N ATOM 533 CA PHE A 38 7.374 3.033 4.682 1.00 0.00 C ATOM 534 C PHE A 38 8.097 4.314 4.262 1.00 0.00 C ATOM 535 O PHE A 38 7.477 5.236 3.731 1.00 0.00 O ATOM 536 CB PHE A 38 6.496 2.553 3.525 1.00 0.00 C ATOM 537 CG PHE A 38 5.602 1.362 3.875 1.00 0.00 C ATOM 538 CD1 PHE A 38 6.133 0.113 3.955 1.00 0.00 C ATOM 539 CD2 PHE A 38 4.275 1.553 4.108 1.00 0.00 C ATOM 540 CE1 PHE A 38 5.303 -0.992 4.280 1.00 0.00 C ATOM 541 CE2 PHE A 38 3.445 0.449 4.433 1.00 0.00 C ATOM 542 CZ PHE A 38 3.976 -0.802 4.512 1.00 0.00 C ATOM 0 H PHE A 38 5.601 3.713 5.568 1.00 0.00 H new ATOM 0 HA PHE A 38 8.128 2.294 4.953 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.869 3.380 3.191 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.136 2.280 2.686 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.186 -0.039 3.771 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.853 2.545 4.046 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.725 -1.984 4.343 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.392 0.601 4.618 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.345 -1.643 4.759 1.00 0.00 H new ATOM 551 N PRO A 39 9.432 4.333 4.519 1.00 0.00 N ATOM 552 CA PRO A 39 10.245 5.486 4.174 1.00 0.00 C ATOM 553 C PRO A 39 10.501 5.543 2.665 1.00 0.00 C ATOM 554 O PRO A 39 10.399 6.606 2.056 1.00 0.00 O ATOM 555 CB PRO A 39 11.519 5.327 4.986 1.00 0.00 C ATOM 556 CG PRO A 39 11.571 3.865 5.399 1.00 0.00 C ATOM 557 CD PRO A 39 10.199 3.260 5.146 1.00 0.00 C ATOM 0 HA PRO A 39 9.755 6.431 4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.395 5.597 4.396 1.00 0.00 H new ATOM 0 HB3 PRO A 39 11.509 5.979 5.859 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.333 3.334 4.829 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.840 3.775 6.452 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.264 2.388 4.496 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.734 2.931 6.075 1.00 0.00 H new ATOM 562 N ASN A 40 10.828 4.386 2.108 1.00 0.00 N ATOM 563 CA ASN A 40 11.099 4.291 0.684 1.00 0.00 C ATOM 564 C ASN A 40 9.825 4.619 -0.095 1.00 0.00 C ATOM 565 O ASN A 40 9.866 5.366 -1.072 1.00 0.00 O ATOM 566 CB ASN A 40 11.538 2.877 0.301 1.00 0.00 C ATOM 567 CG ASN A 40 11.812 2.777 -1.202 1.00 0.00 C ATOM 568 OD1 ASN A 40 12.130 3.748 -1.867 1.00 0.00 O ATOM 569 ND2 ASN A 40 11.670 1.550 -1.697 1.00 0.00 N ATOM 0 H ASN A 40 10.911 3.506 2.618 1.00 0.00 H new ATOM 0 HA ASN A 40 11.897 4.993 0.444 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.436 2.608 0.857 1.00 0.00 H new ATOM 0 HB3 ASN A 40 10.764 2.163 0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.830 1.379 -2.690 1.00 0.00 H new ATOM 0 HD22 ASN A 40 11.401 0.781 -1.084 1.00 0.00 H new ATOM 575 N ARG A 41 8.724 4.044 0.364 1.00 0.00 N ATOM 576 CA ARG A 41 7.439 4.266 -0.278 1.00 0.00 C ATOM 577 C ARG A 41 6.874 5.630 0.122 1.00 0.00 C ATOM 578 O ARG A 41 7.507 6.374 0.870 1.00 0.00 O ATOM 579 CB ARG A 41 6.437 3.174 0.102 1.00 0.00 C ATOM 580 CG ARG A 41 6.987 1.785 -0.230 1.00 0.00 C ATOM 581 CD ARG A 41 6.904 1.508 -1.732 1.00 0.00 C ATOM 582 NE ARG A 41 8.221 1.051 -2.234 1.00 0.00 N ATOM 583 CZ ARG A 41 8.729 -0.179 -2.013 1.00 0.00 C ATOM 584 NH1 ARG A 41 8.036 -1.089 -1.296 1.00 0.00 N ATOM 585 NH2 ARG A 41 9.915 -0.481 -2.511 1.00 0.00 N ATOM 0 H ARG A 41 8.695 3.424 1.173 1.00 0.00 H new ATOM 0 HA ARG A 41 7.598 4.237 -1.356 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.213 3.235 1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.499 3.335 -0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.023 1.712 0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.424 1.027 0.315 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.147 0.749 -1.929 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.597 2.410 -2.261 1.00 0.00 H new ATOM 0 HE ARG A 41 8.778 1.707 -2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.120 -0.849 -0.916 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.428 -2.017 -1.134 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.432 0.211 -3.053 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.314 -1.406 -2.353 1.00 0.00 H new ATOM 595 N THR A 42 5.687 5.918 -0.394 1.00 0.00 N ATOM 596 CA THR A 42 5.029 7.179 -0.098 1.00 0.00 C ATOM 597 C THR A 42 3.525 6.968 0.077 1.00 0.00 C ATOM 598 O THR A 42 3.033 5.846 -0.044 1.00 0.00 O ATOM 599 CB THR A 42 5.378 8.167 -1.214 1.00 0.00 C ATOM 600 OG1 THR A 42 4.645 7.691 -2.340 1.00 0.00 O ATOM 601 CG2 THR A 42 6.841 8.063 -1.652 1.00 0.00 C ATOM 0 H THR A 42 5.165 5.300 -1.015 1.00 0.00 H new ATOM 0 HA THR A 42 5.379 7.595 0.847 1.00 0.00 H new ATOM 0 HB THR A 42 5.171 9.183 -0.877 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.812 8.275 -3.109 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.036 8.785 -2.445 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.491 8.273 -0.803 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.040 7.057 -2.021 1.00 0.00 H new ATOM 609 N ASP A 43 2.834 8.063 0.360 1.00 0.00 N ATOM 610 CA ASP A 43 1.395 8.011 0.553 1.00 0.00 C ATOM 611 C ASP A 43 0.721 7.631 -0.767 1.00 0.00 C ATOM 612 O ASP A 43 -0.442 7.231 -0.781 1.00 0.00 O ATOM 613 CB ASP A 43 0.849 9.372 0.989 1.00 0.00 C ATOM 614 CG ASP A 43 1.109 10.517 0.008 1.00 0.00 C ATOM 615 OD1 ASP A 43 0.290 10.797 -0.880 1.00 0.00 O ATOM 616 OD2 ASP A 43 2.222 11.145 0.186 1.00 0.00 O ATOM 0 H ASP A 43 3.244 8.991 0.460 1.00 0.00 H new ATOM 0 HA ASP A 43 1.185 7.273 1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.226 9.283 1.143 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.289 9.632 1.952 1.00 0.00 H new ATOM 621 N GLN A 44 1.480 7.771 -1.843 1.00 0.00 N ATOM 622 CA GLN A 44 0.970 7.448 -3.165 1.00 0.00 C ATOM 623 C GLN A 44 1.217 5.971 -3.483 1.00 0.00 C ATOM 624 O GLN A 44 0.273 5.203 -3.659 1.00 0.00 O ATOM 625 CB GLN A 44 1.596 8.350 -4.230 1.00 0.00 C ATOM 626 CG GLN A 44 1.687 7.628 -5.576 1.00 0.00 C ATOM 627 CD GLN A 44 1.615 8.621 -6.737 1.00 0.00 C ATOM 628 OE1 GLN A 44 2.131 9.725 -6.677 1.00 0.00 O ATOM 629 NE2 GLN A 44 0.946 8.170 -7.795 1.00 0.00 N ATOM 0 H GLN A 44 2.444 8.104 -1.827 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.105 7.626 -3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.001 9.257 -4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 44 2.591 8.659 -3.911 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.620 7.068 -5.630 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.876 6.905 -5.660 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.538 7.235 -7.780 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.841 8.759 -8.621 1.00 0.00 H new ATOM 636 N GLN A 45 2.494 5.619 -3.546 1.00 0.00 N ATOM 637 CA GLN A 45 2.878 4.249 -3.841 1.00 0.00 C ATOM 638 C GLN A 45 2.095 3.276 -2.957 1.00 0.00 C ATOM 639 O GLN A 45 1.770 2.169 -3.382 1.00 0.00 O ATOM 640 CB GLN A 45 4.386 4.053 -3.668 1.00 0.00 C ATOM 641 CG GLN A 45 5.122 4.280 -4.990 1.00 0.00 C ATOM 642 CD GLN A 45 6.629 4.421 -4.760 1.00 0.00 C ATOM 643 OE1 GLN A 45 7.156 5.506 -4.578 1.00 0.00 O ATOM 644 NE2 GLN A 45 7.289 3.267 -4.778 1.00 0.00 N ATOM 0 H GLN A 45 3.275 6.259 -3.398 1.00 0.00 H new ATOM 0 HA GLN A 45 2.634 4.041 -4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.762 4.745 -2.914 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.586 3.045 -3.304 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.930 3.446 -5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.739 5.178 -5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.786 2.394 -4.936 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.299 3.255 -4.634 1.00 0.00 H new ATOM 651 N CYS A 46 1.812 3.727 -1.742 1.00 0.00 N ATOM 652 CA CYS A 46 1.072 2.910 -0.796 1.00 0.00 C ATOM 653 C CYS A 46 -0.356 2.744 -1.316 1.00 0.00 C ATOM 654 O CYS A 46 -0.762 1.644 -1.688 1.00 0.00 O ATOM 655 CB CYS A 46 1.100 3.511 0.611 1.00 0.00 C ATOM 656 SG CYS A 46 2.486 2.797 1.569 1.00 0.00 S ATOM 0 H CYS A 46 2.082 4.646 -1.393 1.00 0.00 H new ATOM 0 HA CYS A 46 1.542 1.930 -0.713 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.209 4.594 0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.156 3.313 1.119 1.00 0.00 H new ATOM 0 HG CYS A 46 3.518 3.584 1.492 1.00 0.00 H new ATOM 661 N GLN A 47 -1.080 3.854 -1.328 1.00 0.00 N ATOM 662 CA GLN A 47 -2.455 3.845 -1.799 1.00 0.00 C ATOM 663 C GLN A 47 -2.543 3.175 -3.171 1.00 0.00 C ATOM 664 O GLN A 47 -3.394 2.314 -3.392 1.00 0.00 O ATOM 665 CB GLN A 47 -3.028 5.263 -1.843 1.00 0.00 C ATOM 666 CG GLN A 47 -4.552 5.235 -1.978 1.00 0.00 C ATOM 667 CD GLN A 47 -5.211 6.160 -0.954 1.00 0.00 C ATOM 668 OE1 GLN A 47 -4.599 7.067 -0.415 1.00 0.00 O ATOM 669 NE2 GLN A 47 -6.490 5.883 -0.718 1.00 0.00 N ATOM 0 H GLN A 47 -0.741 4.765 -1.019 1.00 0.00 H new ATOM 0 HA GLN A 47 -3.055 3.267 -1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.750 5.800 -0.936 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.595 5.808 -2.682 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.837 5.540 -2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.914 4.216 -1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.942 5.109 -1.204 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.019 6.445 -0.051 1.00 0.00 H new ATOM 676 N TYR A 48 -1.652 3.594 -4.057 1.00 0.00 N ATOM 677 CA TYR A 48 -1.618 3.045 -5.402 1.00 0.00 C ATOM 678 C TYR A 48 -1.414 1.530 -5.370 1.00 0.00 C ATOM 679 O TYR A 48 -2.274 0.775 -5.821 1.00 0.00 O ATOM 680 CB TYR A 48 -0.416 3.695 -6.092 1.00 0.00 C ATOM 681 CG TYR A 48 -0.123 3.137 -7.486 1.00 0.00 C ATOM 682 CD1 TYR A 48 0.594 1.966 -7.624 1.00 0.00 C ATOM 683 CD2 TYR A 48 -0.576 3.805 -8.606 1.00 0.00 C ATOM 684 CE1 TYR A 48 0.870 1.440 -8.936 1.00 0.00 C ATOM 685 CE2 TYR A 48 -0.300 3.280 -9.918 1.00 0.00 C ATOM 686 CZ TYR A 48 0.409 2.124 -10.018 1.00 0.00 C ATOM 687 OH TYR A 48 0.670 1.627 -11.257 1.00 0.00 O ATOM 0 H TYR A 48 -0.948 4.308 -3.870 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.556 3.242 -5.921 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.591 4.768 -6.171 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.466 3.561 -5.465 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.948 1.444 -6.748 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.137 4.721 -8.498 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.430 0.524 -9.058 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.648 3.793 -10.803 1.00 0.00 H new ATOM 0 HH TYR A 48 0.280 2.217 -11.935 1.00 0.00 H new ATOM 696 N ARG A 49 -0.271 1.129 -4.833 1.00 0.00 N ATOM 697 CA ARG A 49 0.056 -0.284 -4.737 1.00 0.00 C ATOM 698 C ARG A 49 -1.109 -1.057 -4.115 1.00 0.00 C ATOM 699 O ARG A 49 -1.289 -2.243 -4.389 1.00 0.00 O ATOM 700 CB ARG A 49 1.312 -0.502 -3.892 1.00 0.00 C ATOM 701 CG ARG A 49 1.583 -1.994 -3.687 1.00 0.00 C ATOM 702 CD ARG A 49 2.141 -2.628 -4.962 1.00 0.00 C ATOM 703 NE ARG A 49 2.156 -4.103 -4.828 1.00 0.00 N ATOM 704 CZ ARG A 49 2.995 -4.916 -5.503 1.00 0.00 C ATOM 705 NH1 ARG A 49 3.897 -4.404 -6.367 1.00 0.00 N ATOM 706 NH2 ARG A 49 2.921 -6.219 -5.306 1.00 0.00 N ATOM 0 H ARG A 49 0.440 1.758 -4.460 1.00 0.00 H new ATOM 0 HA ARG A 49 0.243 -0.651 -5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.168 -0.037 -4.380 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.193 -0.014 -2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.290 -2.130 -2.869 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.661 -2.499 -3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.532 -2.338 -5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.150 -2.261 -5.149 1.00 0.00 H new ATOM 0 HE ARG A 49 1.490 -4.531 -4.185 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.948 -3.396 -6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.528 -5.025 -6.873 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.237 -6.598 -4.651 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.548 -6.847 -5.809 1.00 0.00 H new ATOM 716 N TRP A 50 -1.871 -0.354 -3.290 1.00 0.00 N ATOM 717 CA TRP A 50 -3.014 -0.960 -2.628 1.00 0.00 C ATOM 718 C TRP A 50 -4.163 -1.028 -3.634 1.00 0.00 C ATOM 719 O TRP A 50 -4.619 -2.114 -3.989 1.00 0.00 O ATOM 720 CB TRP A 50 -3.379 -0.193 -1.354 1.00 0.00 C ATOM 721 CG TRP A 50 -4.803 -0.453 -0.859 1.00 0.00 C ATOM 722 CD1 TRP A 50 -5.954 -0.031 -1.399 1.00 0.00 C ATOM 723 CD2 TRP A 50 -5.182 -1.216 0.306 1.00 0.00 C ATOM 724 NE1 TRP A 50 -7.043 -0.464 -0.671 1.00 0.00 N ATOM 725 CE2 TRP A 50 -6.560 -1.208 0.399 1.00 0.00 C ATOM 726 CE3 TRP A 50 -4.389 -1.891 1.249 1.00 0.00 C ATOM 727 CZ2 TRP A 50 -7.263 -1.858 1.419 1.00 0.00 C ATOM 728 CZ3 TRP A 50 -5.107 -2.536 2.265 1.00 0.00 C ATOM 729 CH2 TRP A 50 -6.493 -2.537 2.372 1.00 0.00 C ATOM 0 H TRP A 50 -1.719 0.629 -3.065 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.778 -1.973 -2.301 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -2.676 -0.463 -0.566 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -3.258 0.875 -1.537 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.021 0.572 -2.292 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -8.023 -0.273 -0.880 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -3.311 -1.911 1.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -8.342 -1.837 1.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.545 -3.069 3.017 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.974 -3.059 3.186 1.00 0.00 H new ATOM 739 N LEU A 51 -4.599 0.146 -4.067 1.00 0.00 N ATOM 740 CA LEU A 51 -5.686 0.234 -5.027 1.00 0.00 C ATOM 741 C LEU A 51 -5.284 -0.488 -6.315 1.00 0.00 C ATOM 742 O LEU A 51 -6.113 -0.700 -7.197 1.00 0.00 O ATOM 743 CB LEU A 51 -6.096 1.692 -5.241 1.00 0.00 C ATOM 744 CG LEU A 51 -6.953 2.317 -4.138 1.00 0.00 C ATOM 745 CD1 LEU A 51 -7.285 3.775 -4.461 1.00 0.00 C ATOM 746 CD2 LEU A 51 -8.211 1.485 -3.883 1.00 0.00 C ATOM 0 H LEU A 51 -4.219 1.045 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.574 -0.269 -4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.192 2.290 -5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.643 1.761 -6.181 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.374 2.316 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.895 4.195 -3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.362 4.347 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.836 3.823 -5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.802 1.951 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.803 1.431 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.926 0.479 -3.576 1.00 0.00 H new ATOM 757 N ARG A 52 -4.010 -0.845 -6.381 1.00 0.00 N ATOM 758 CA ARG A 52 -3.486 -1.538 -7.547 1.00 0.00 C ATOM 759 C ARG A 52 -3.335 -3.031 -7.251 1.00 0.00 C ATOM 760 O ARG A 52 -3.747 -3.871 -8.051 1.00 0.00 O ATOM 761 CB ARG A 52 -2.130 -0.967 -7.964 1.00 0.00 C ATOM 762 CG ARG A 52 -2.296 0.379 -8.673 1.00 0.00 C ATOM 763 CD ARG A 52 -3.356 0.291 -9.774 1.00 0.00 C ATOM 764 NE ARG A 52 -3.105 1.327 -10.802 1.00 0.00 N ATOM 765 CZ ARG A 52 -3.790 1.424 -11.960 1.00 0.00 C ATOM 766 NH1 ARG A 52 -4.775 0.547 -12.250 1.00 0.00 N ATOM 767 NH2 ARG A 52 -3.481 2.390 -12.806 1.00 0.00 N ATOM 0 H ARG A 52 -3.325 -0.668 -5.646 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.193 -1.395 -8.364 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.498 -0.843 -7.085 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.623 -1.670 -8.625 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.581 1.143 -7.949 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.343 0.687 -9.104 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.337 -0.699 -10.231 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.349 0.425 -9.346 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.368 2.010 -10.623 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.006 -0.196 -11.591 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.288 0.628 -13.128 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.735 3.047 -12.579 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.988 2.479 -13.686 1.00 0.00 H new ATOM 777 N VAL A 53 -2.741 -3.318 -6.102 1.00 0.00 N ATOM 778 CA VAL A 53 -2.529 -4.696 -5.693 1.00 0.00 C ATOM 779 C VAL A 53 -3.462 -5.025 -4.525 1.00 0.00 C ATOM 780 O VAL A 53 -4.322 -5.897 -4.640 1.00 0.00 O ATOM 781 CB VAL A 53 -1.053 -4.923 -5.361 1.00 0.00 C ATOM 782 CG1 VAL A 53 -0.798 -6.378 -4.964 1.00 0.00 C ATOM 783 CG2 VAL A 53 -0.158 -4.509 -6.532 1.00 0.00 C ATOM 0 H VAL A 53 -2.400 -2.620 -5.441 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.773 -5.378 -6.507 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.801 -4.294 -4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.259 -6.512 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.395 -6.626 -4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.075 -7.034 -5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.886 -4.680 -6.270 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.413 -5.100 -7.412 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.309 -3.452 -6.749 1.00 0.00 H new ATOM 793 N LEU A 54 -3.259 -4.310 -3.428 1.00 0.00 N ATOM 794 CA LEU A 54 -4.070 -4.515 -2.240 1.00 0.00 C ATOM 795 C LEU A 54 -5.437 -3.859 -2.443 1.00 0.00 C ATOM 796 O LEU A 54 -5.759 -2.871 -1.784 1.00 0.00 O ATOM 797 CB LEU A 54 -3.330 -4.024 -0.995 1.00 0.00 C ATOM 798 CG LEU A 54 -1.809 -4.190 -1.008 1.00 0.00 C ATOM 799 CD1 LEU A 54 -1.199 -3.760 0.327 1.00 0.00 C ATOM 800 CD2 LEU A 54 -1.418 -5.620 -1.385 1.00 0.00 C ATOM 0 H LEU A 54 -2.544 -3.588 -3.337 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.247 -5.578 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.559 -2.968 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.726 -4.554 -0.129 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.399 -3.532 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.117 -3.888 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.434 -2.712 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.610 -4.373 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.332 -5.712 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.840 -6.316 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.804 -5.853 -2.378 1.00 0.00 H new ATOM 811 N SER A 55 -6.205 -4.435 -3.356 1.00 0.00 N ATOM 812 CA SER A 55 -7.530 -3.918 -3.654 1.00 0.00 C ATOM 813 C SER A 55 -8.587 -4.980 -3.344 1.00 0.00 C ATOM 814 O SER A 55 -8.332 -6.175 -3.487 1.00 0.00 O ATOM 815 CB SER A 55 -7.634 -3.476 -5.114 1.00 0.00 C ATOM 816 OG SER A 55 -7.914 -4.568 -5.985 1.00 0.00 O ATOM 0 H SER A 55 -5.935 -5.255 -3.899 1.00 0.00 H new ATOM 0 HA SER A 55 -7.706 -3.045 -3.026 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.419 -2.725 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.700 -3.002 -5.416 1.00 0.00 H new ATOM 0 HG SER A 55 -7.974 -4.243 -6.908 1.00 0.00 H new ATOM 821 N GLY A 56 -9.752 -4.506 -2.927 1.00 0.00 N ATOM 822 CA GLY A 56 -10.848 -5.401 -2.597 1.00 0.00 C ATOM 823 C GLY A 56 -11.793 -5.572 -3.787 1.00 0.00 C ATOM 824 O GLY A 56 -11.843 -6.640 -4.396 1.00 0.00 O ATOM 0 H GLY A 56 -9.961 -3.514 -2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.452 -6.372 -2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.400 -5.007 -1.744 1.00 0.00 H new ATOM 828 N PRO A 57 -12.539 -4.477 -4.093 1.00 0.00 N ATOM 829 CA PRO A 57 -13.480 -4.497 -5.201 1.00 0.00 C ATOM 830 C PRO A 57 -12.748 -4.415 -6.542 1.00 0.00 C ATOM 831 O PRO A 57 -12.595 -3.332 -7.106 1.00 0.00 O ATOM 832 CB PRO A 57 -14.401 -3.313 -4.955 1.00 0.00 C ATOM 833 CG PRO A 57 -13.666 -2.406 -3.982 1.00 0.00 C ATOM 834 CD PRO A 57 -12.506 -3.195 -3.395 1.00 0.00 C ATOM 0 HA PRO A 57 -14.050 -5.425 -5.253 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.621 -2.790 -5.886 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -15.354 -3.640 -4.540 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.302 -1.514 -4.492 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.337 -2.070 -3.192 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.558 -2.682 -3.554 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -12.621 -3.327 -2.319 1.00 0.00 H new ATOM 839 N SER A 58 -12.316 -5.575 -7.016 1.00 0.00 N ATOM 840 CA SER A 58 -11.605 -5.649 -8.280 1.00 0.00 C ATOM 841 C SER A 58 -12.372 -4.880 -9.358 1.00 0.00 C ATOM 842 O SER A 58 -13.581 -5.052 -9.506 1.00 0.00 O ATOM 843 CB SER A 58 -11.398 -7.103 -8.712 1.00 0.00 C ATOM 844 OG SER A 58 -12.626 -7.825 -8.758 1.00 0.00 O ATOM 0 H SER A 58 -12.445 -6.471 -6.546 1.00 0.00 H new ATOM 0 HA SER A 58 -10.623 -5.194 -8.147 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.927 -7.126 -9.695 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.714 -7.594 -8.019 1.00 0.00 H new ATOM 0 HG SER A 58 -12.453 -8.748 -9.039 1.00 0.00 H new ATOM 849 N SER A 59 -11.637 -4.049 -10.081 1.00 0.00 N ATOM 850 CA SER A 59 -12.233 -3.253 -11.142 1.00 0.00 C ATOM 851 C SER A 59 -12.372 -4.093 -12.413 1.00 0.00 C ATOM 852 O SER A 59 -11.373 -4.504 -13.001 1.00 0.00 O ATOM 853 CB SER A 59 -11.402 -1.999 -11.422 1.00 0.00 C ATOM 854 OG SER A 59 -11.588 -1.001 -10.422 1.00 0.00 O ATOM 0 H SER A 59 -10.635 -3.909 -9.954 1.00 0.00 H new ATOM 0 HA SER A 59 -13.223 -2.935 -10.816 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.347 -2.268 -11.474 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.676 -1.592 -12.395 1.00 0.00 H new ATOM 0 HG SER A 59 -11.040 -0.217 -10.636 1.00 0.00 H new ATOM 859 N GLY A 60 -13.618 -4.324 -12.798 1.00 0.00 N ATOM 860 CA GLY A 60 -13.900 -5.106 -13.989 1.00 0.00 C ATOM 861 C GLY A 60 -15.315 -5.687 -13.940 1.00 0.00 C ATOM 862 O GLY A 60 -16.056 -5.448 -12.989 1.00 0.00 O ATOM 0 H GLY A 60 -14.444 -3.983 -12.306 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.790 -4.480 -14.874 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.174 -5.914 -14.078 1.00 0.00 H new TER 866 GLY A 60