USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 882 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+ -109:sc= 0.012 (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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.017 K(o=-0.017,f=-0.97) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0554 K(o=-0.055,f=-1.2!) USER MOD Single : A 22 SER OG : rot 180:sc= -0.141 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot -15:sc= 0.317 USER MOD Single : A 42 TYR OH : rot 165:sc= -0.474 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0206) USER MOD Single : A 50 SER OG : rot 22:sc= 0.368 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -3.19 K(o=-3.2,f=-2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.32! K(o=-2.3!,f=-1.7) USER MOD Single : A 76 THR OG1 : rot 72:sc= 0.325 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -3.98! K(o=-4!,f=-2.1) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= -0.793 USER MOD Single : A 90 SER OG : rot -130:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -1.37 K(o=-1.4,f=-3.2!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 MET CE :methyl -179:sc= -0.412 (180deg=-0.415) USER MOD Single : A 111 GLN : amide:sc= -0.0955 K(o=-0.095,f=-2!) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc=-0.00425 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.640 16.867 4.819 1.00 0.00 N ATOM 2 CA GLY A 1 4.586 16.641 6.252 1.00 0.00 C ATOM 3 C GLY A 1 5.628 17.445 7.005 1.00 0.00 C ATOM 4 O GLY A 1 6.737 17.652 6.513 1.00 0.00 O ATOM 0 H1 GLY A 1 3.808 17.416 4.523 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.505 17.394 4.583 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.646 15.953 4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.594 16.902 6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.733 15.580 6.455 1.00 0.00 H new ATOM 8 N SER A 2 5.270 17.900 8.202 1.00 0.00 N ATOM 9 CA SER A 2 6.181 18.690 9.022 1.00 0.00 C ATOM 10 C SER A 2 7.389 17.860 9.447 1.00 0.00 C ATOM 11 O SER A 2 7.273 16.661 9.701 1.00 0.00 O ATOM 12 CB SER A 2 5.454 19.224 10.258 1.00 0.00 C ATOM 13 OG SER A 2 4.633 20.331 9.928 1.00 0.00 O ATOM 0 H SER A 2 4.357 17.735 8.625 1.00 0.00 H new ATOM 0 HA SER A 2 6.533 19.531 8.424 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.845 18.433 10.696 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.183 19.520 11.013 1.00 0.00 H new ATOM 0 HG SER A 2 4.178 20.653 10.734 1.00 0.00 H new ATOM 19 N SER A 3 8.547 18.508 9.522 1.00 0.00 N ATOM 20 CA SER A 3 9.778 17.830 9.913 1.00 0.00 C ATOM 21 C SER A 3 9.946 17.840 11.429 1.00 0.00 C ATOM 22 O SER A 3 10.374 18.836 12.011 1.00 0.00 O ATOM 23 CB SER A 3 10.984 18.497 9.250 1.00 0.00 C ATOM 24 OG SER A 3 12.100 17.624 9.226 1.00 0.00 O ATOM 0 H SER A 3 8.659 19.501 9.317 1.00 0.00 H new ATOM 0 HA SER A 3 9.715 16.794 9.579 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.727 18.792 8.233 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.242 19.408 9.790 1.00 0.00 H new ATOM 0 HG SER A 3 12.857 18.073 8.796 1.00 0.00 H new ATOM 30 N GLY A 4 9.604 16.723 12.064 1.00 0.00 N ATOM 31 CA GLY A 4 9.724 16.623 13.507 1.00 0.00 C ATOM 32 C GLY A 4 9.518 15.208 14.009 1.00 0.00 C ATOM 33 O GLY A 4 10.481 14.478 14.241 1.00 0.00 O ATOM 0 H GLY A 4 9.246 15.886 11.605 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.710 16.973 13.812 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.993 17.282 13.976 1.00 0.00 H new ATOM 37 N SER A 5 8.258 14.820 14.179 1.00 0.00 N ATOM 38 CA SER A 5 7.928 13.485 14.663 1.00 0.00 C ATOM 39 C SER A 5 7.557 12.563 13.505 1.00 0.00 C ATOM 40 O SER A 5 7.398 13.010 12.368 1.00 0.00 O ATOM 41 CB SER A 5 6.774 13.553 15.665 1.00 0.00 C ATOM 42 OG SER A 5 6.724 12.384 16.466 1.00 0.00 O ATOM 0 H SER A 5 7.449 15.411 13.989 1.00 0.00 H new ATOM 0 HA SER A 5 8.808 13.079 15.161 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.893 14.429 16.302 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.831 13.672 15.131 1.00 0.00 H new ATOM 0 HG SER A 5 5.979 12.453 17.099 1.00 0.00 H new ATOM 48 N SER A 6 7.420 11.275 13.802 1.00 0.00 N ATOM 49 CA SER A 6 7.072 10.289 12.786 1.00 0.00 C ATOM 50 C SER A 6 5.624 9.835 12.944 1.00 0.00 C ATOM 51 O SER A 6 4.841 9.876 11.996 1.00 0.00 O ATOM 52 CB SER A 6 8.009 9.083 12.872 1.00 0.00 C ATOM 53 OG SER A 6 7.566 8.031 12.033 1.00 0.00 O ATOM 0 H SER A 6 7.545 10.890 14.738 1.00 0.00 H new ATOM 0 HA SER A 6 7.184 10.757 11.808 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.017 9.381 12.585 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.062 8.732 13.903 1.00 0.00 H new ATOM 0 HG SER A 6 8.183 7.273 12.105 1.00 0.00 H new ATOM 59 N GLY A 7 5.275 9.400 14.151 1.00 0.00 N ATOM 60 CA GLY A 7 3.923 8.943 14.413 1.00 0.00 C ATOM 61 C GLY A 7 3.818 7.431 14.451 1.00 0.00 C ATOM 62 O GLY A 7 4.130 6.756 13.471 1.00 0.00 O ATOM 0 H GLY A 7 5.905 9.356 14.952 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.583 9.352 15.365 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.256 9.331 13.643 1.00 0.00 H new ATOM 66 N ASN A 8 3.380 6.898 15.587 1.00 0.00 N ATOM 67 CA ASN A 8 3.238 5.456 15.749 1.00 0.00 C ATOM 68 C ASN A 8 1.811 5.012 15.441 1.00 0.00 C ATOM 69 O ASN A 8 0.965 4.945 16.333 1.00 0.00 O ATOM 70 CB ASN A 8 3.617 5.042 17.173 1.00 0.00 C ATOM 71 CG ASN A 8 5.108 5.144 17.427 1.00 0.00 C ATOM 72 OD1 ASN A 8 5.919 4.902 16.533 1.00 0.00 O ATOM 73 ND2 ASN A 8 5.477 5.503 18.651 1.00 0.00 N ATOM 0 H ASN A 8 3.117 7.443 16.408 1.00 0.00 H new ATOM 0 HA ASN A 8 3.912 4.968 15.044 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.086 5.673 17.885 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.290 4.017 17.350 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.467 5.588 18.881 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.770 5.694 19.361 1.00 0.00 H new ATOM 80 N ALA A 9 1.552 4.710 14.174 1.00 0.00 N ATOM 81 CA ALA A 9 0.229 4.270 13.748 1.00 0.00 C ATOM 82 C ALA A 9 0.099 2.753 13.841 1.00 0.00 C ATOM 83 O ALA A 9 1.059 2.010 13.638 1.00 0.00 O ATOM 84 CB ALA A 9 -0.053 4.739 12.329 1.00 0.00 C ATOM 0 H ALA A 9 2.241 4.762 13.424 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.507 4.714 14.418 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.044 4.403 12.025 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.011 5.828 12.291 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.694 4.323 11.653 1.00 0.00 H new ATOM 90 N PRO A 10 -1.117 2.281 14.156 1.00 0.00 N ATOM 91 CA PRO A 10 -1.401 0.848 14.284 1.00 0.00 C ATOM 92 C PRO A 10 -1.361 0.128 12.940 1.00 0.00 C ATOM 93 O PRO A 10 -1.591 0.733 11.893 1.00 0.00 O ATOM 94 CB PRO A 10 -2.816 0.818 14.865 1.00 0.00 C ATOM 95 CG PRO A 10 -3.429 2.108 14.440 1.00 0.00 C ATOM 96 CD PRO A 10 -2.307 3.109 14.412 1.00 0.00 C ATOM 0 HA PRO A 10 -0.661 0.339 14.902 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.382 -0.033 14.485 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.796 0.728 15.951 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.894 2.015 13.458 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -4.210 2.417 15.135 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.453 3.855 13.631 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.226 3.648 15.356 1.00 0.00 H new ATOM 104 N VAL A 11 -1.069 -1.168 12.977 1.00 0.00 N ATOM 105 CA VAL A 11 -1.001 -1.972 11.763 1.00 0.00 C ATOM 106 C VAL A 11 -2.362 -2.053 11.080 1.00 0.00 C ATOM 107 O VAL A 11 -3.402 -2.033 11.740 1.00 0.00 O ATOM 108 CB VAL A 11 -0.503 -3.398 12.061 1.00 0.00 C ATOM 109 CG1 VAL A 11 -1.403 -4.076 13.082 1.00 0.00 C ATOM 110 CG2 VAL A 11 -0.427 -4.214 10.779 1.00 0.00 C ATOM 0 H VAL A 11 -0.876 -1.684 13.835 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.292 -1.480 11.097 1.00 0.00 H new ATOM 0 HB VAL A 11 0.500 -3.333 12.484 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.035 -5.083 13.280 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.401 -3.501 14.008 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.419 -4.131 12.691 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.073 -5.219 11.008 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.416 -4.272 10.325 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.263 -3.736 10.084 1.00 0.00 H new ATOM 120 N THR A 12 -2.348 -2.144 9.754 1.00 0.00 N ATOM 121 CA THR A 12 -3.581 -2.227 8.981 1.00 0.00 C ATOM 122 C THR A 12 -3.917 -3.673 8.637 1.00 0.00 C ATOM 123 O THR A 12 -5.032 -4.137 8.877 1.00 0.00 O ATOM 124 CB THR A 12 -3.484 -1.410 7.679 1.00 0.00 C ATOM 125 OG1 THR A 12 -2.822 -0.165 7.930 1.00 0.00 O ATOM 126 CG2 THR A 12 -4.866 -1.147 7.101 1.00 0.00 C ATOM 0 H THR A 12 -1.496 -2.162 9.193 1.00 0.00 H new ATOM 0 HA THR A 12 -4.373 -1.811 9.603 1.00 0.00 H new ATOM 0 HB THR A 12 -2.909 -1.988 6.956 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.763 0.348 7.097 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.772 -0.568 6.182 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.356 -2.096 6.884 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.462 -0.588 7.822 1.00 0.00 H new ATOM 134 N LYS A 13 -2.946 -4.383 8.072 1.00 0.00 N ATOM 135 CA LYS A 13 -3.138 -5.779 7.696 1.00 0.00 C ATOM 136 C LYS A 13 -1.815 -6.538 7.731 1.00 0.00 C ATOM 137 O LYS A 13 -0.761 -5.981 7.429 1.00 0.00 O ATOM 138 CB LYS A 13 -3.755 -5.871 6.298 1.00 0.00 C ATOM 139 CG LYS A 13 -4.313 -7.245 5.970 1.00 0.00 C ATOM 140 CD LYS A 13 -5.387 -7.169 4.898 1.00 0.00 C ATOM 141 CE LYS A 13 -5.944 -8.545 4.568 1.00 0.00 C ATOM 142 NZ LYS A 13 -6.852 -9.047 5.637 1.00 0.00 N ATOM 0 H LYS A 13 -2.018 -4.014 7.864 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.817 -6.234 8.417 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.553 -5.134 6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.999 -5.609 5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.506 -7.895 5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.729 -7.695 6.872 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.195 -6.520 5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.972 -6.718 3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.485 -8.501 3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.121 -9.247 4.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.211 -9.987 5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.329 -9.114 6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.651 -8.391 5.750 1.00 0.00 H new ATOM 156 N ALA A 14 -1.880 -7.813 8.100 1.00 0.00 N ATOM 157 CA ALA A 14 -0.688 -8.649 8.170 1.00 0.00 C ATOM 158 C ALA A 14 -1.023 -10.108 7.880 1.00 0.00 C ATOM 159 O ALA A 14 -1.915 -10.686 8.500 1.00 0.00 O ATOM 160 CB ALA A 14 -0.032 -8.518 9.536 1.00 0.00 C ATOM 0 H ALA A 14 -2.745 -8.289 8.355 1.00 0.00 H new ATOM 0 HA ALA A 14 0.012 -8.306 7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.857 -9.148 9.575 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.251 -7.479 9.705 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.734 -8.833 10.308 1.00 0.00 H new ATOM 166 N GLY A 15 -0.302 -10.699 6.932 1.00 0.00 N ATOM 167 CA GLY A 15 -0.539 -12.086 6.576 1.00 0.00 C ATOM 168 C GLY A 15 0.541 -12.645 5.670 1.00 0.00 C ATOM 169 O GLY A 15 1.311 -11.892 5.074 1.00 0.00 O ATOM 0 H GLY A 15 0.442 -10.242 6.404 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.594 -12.687 7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.505 -12.170 6.079 1.00 0.00 H new ATOM 173 N TRP A 16 0.599 -13.968 5.568 1.00 0.00 N ATOM 174 CA TRP A 16 1.594 -14.626 4.730 1.00 0.00 C ATOM 175 C TRP A 16 1.227 -14.507 3.254 1.00 0.00 C ATOM 176 O TRP A 16 0.209 -15.041 2.812 1.00 0.00 O ATOM 177 CB TRP A 16 1.723 -16.100 5.118 1.00 0.00 C ATOM 178 CG TRP A 16 2.396 -16.308 6.441 1.00 0.00 C ATOM 179 CD1 TRP A 16 1.788 -16.488 7.651 1.00 0.00 C ATOM 180 CD2 TRP A 16 3.806 -16.356 6.688 1.00 0.00 C ATOM 181 NE1 TRP A 16 2.735 -16.645 8.635 1.00 0.00 N ATOM 182 CE2 TRP A 16 3.980 -16.568 8.070 1.00 0.00 C ATOM 183 CE3 TRP A 16 4.937 -16.241 5.876 1.00 0.00 C ATOM 184 CZ2 TRP A 16 5.240 -16.667 8.654 1.00 0.00 C ATOM 185 CZ3 TRP A 16 6.187 -16.339 6.458 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.330 -16.551 7.836 1.00 0.00 C ATOM 0 H TRP A 16 -0.031 -14.606 6.055 1.00 0.00 H new ATOM 0 HA TRP A 16 2.552 -14.130 4.889 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.730 -16.549 5.149 1.00 0.00 H new ATOM 0 HB3 TRP A 16 2.286 -16.624 4.345 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.720 -16.505 7.811 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.542 -16.795 9.625 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.837 -16.079 4.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.353 -16.830 9.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 7.068 -16.251 5.840 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.320 -16.624 8.260 1.00 0.00 H new ATOM 197 N LEU A 17 2.063 -13.806 2.496 1.00 0.00 N ATOM 198 CA LEU A 17 1.826 -13.617 1.069 1.00 0.00 C ATOM 199 C LEU A 17 3.033 -14.071 0.253 1.00 0.00 C ATOM 200 O LEU A 17 4.178 -13.824 0.629 1.00 0.00 O ATOM 201 CB LEU A 17 1.519 -12.149 0.773 1.00 0.00 C ATOM 202 CG LEU A 17 0.094 -11.686 1.080 1.00 0.00 C ATOM 203 CD1 LEU A 17 -0.031 -10.182 0.893 1.00 0.00 C ATOM 204 CD2 LEU A 17 -0.906 -12.420 0.198 1.00 0.00 C ATOM 0 H LEU A 17 2.911 -13.359 2.846 1.00 0.00 H new ATOM 0 HA LEU A 17 0.968 -14.225 0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.211 -11.531 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.721 -11.962 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.128 -11.921 2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.052 -9.871 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.659 -9.673 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.210 -9.922 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.915 -12.078 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.685 -12.216 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.835 -13.492 0.382 1.00 0.00 H new ATOM 216 N PHE A 18 2.767 -14.735 -0.867 1.00 0.00 N ATOM 217 CA PHE A 18 3.830 -15.222 -1.738 1.00 0.00 C ATOM 218 C PHE A 18 4.200 -14.174 -2.783 1.00 0.00 C ATOM 219 O PHE A 18 3.370 -13.775 -3.601 1.00 0.00 O ATOM 220 CB PHE A 18 3.399 -16.517 -2.429 1.00 0.00 C ATOM 221 CG PHE A 18 3.298 -17.690 -1.495 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.416 -17.667 -0.427 1.00 0.00 C ATOM 223 CD2 PHE A 18 4.085 -18.814 -1.686 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.321 -18.744 0.434 1.00 0.00 C ATOM 225 CE2 PHE A 18 3.994 -19.894 -0.828 1.00 0.00 C ATOM 226 CZ PHE A 18 3.111 -19.860 0.233 1.00 0.00 C ATOM 0 H PHE A 18 1.824 -14.948 -1.193 1.00 0.00 H new ATOM 0 HA PHE A 18 4.707 -15.421 -1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.433 -16.360 -2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.112 -16.752 -3.219 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.796 -16.798 -0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.777 -18.847 -2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.630 -18.713 1.263 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.613 -20.764 -0.987 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.038 -20.703 0.904 1.00 0.00 H new ATOM 236 N LYS A 19 5.452 -13.731 -2.751 1.00 0.00 N ATOM 237 CA LYS A 19 5.935 -12.730 -3.694 1.00 0.00 C ATOM 238 C LYS A 19 6.654 -13.389 -4.867 1.00 0.00 C ATOM 239 O LYS A 19 7.568 -14.191 -4.674 1.00 0.00 O ATOM 240 CB LYS A 19 6.876 -11.749 -2.991 1.00 0.00 C ATOM 241 CG LYS A 19 6.988 -10.405 -3.692 1.00 0.00 C ATOM 242 CD LYS A 19 8.273 -9.686 -3.316 1.00 0.00 C ATOM 243 CE LYS A 19 8.510 -8.470 -4.199 1.00 0.00 C ATOM 244 NZ LYS A 19 9.271 -8.820 -5.430 1.00 0.00 N ATOM 0 H LYS A 19 6.152 -14.050 -2.081 1.00 0.00 H new ATOM 0 HA LYS A 19 5.073 -12.185 -4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.525 -11.589 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.867 -12.196 -2.921 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.955 -10.553 -4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.132 -9.784 -3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.225 -9.375 -2.272 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.115 -10.372 -3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.552 -8.030 -4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.057 -7.713 -3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.412 -7.965 -6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.195 -9.216 -5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.737 -9.523 -5.980 1.00 0.00 H new ATOM 258 N GLN A 20 6.237 -13.044 -6.080 1.00 0.00 N ATOM 259 CA GLN A 20 6.843 -13.603 -7.283 1.00 0.00 C ATOM 260 C GLN A 20 8.292 -13.149 -7.424 1.00 0.00 C ATOM 261 O GLN A 20 8.605 -11.973 -7.242 1.00 0.00 O ATOM 262 CB GLN A 20 6.044 -13.191 -8.521 1.00 0.00 C ATOM 263 CG GLN A 20 6.099 -14.210 -9.648 1.00 0.00 C ATOM 264 CD GLN A 20 5.675 -13.628 -10.982 1.00 0.00 C ATOM 265 OE1 GLN A 20 5.911 -12.453 -11.263 1.00 0.00 O ATOM 266 NE2 GLN A 20 5.045 -14.450 -11.813 1.00 0.00 N ATOM 0 H GLN A 20 5.483 -12.381 -6.256 1.00 0.00 H new ATOM 0 HA GLN A 20 6.829 -14.689 -7.195 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.004 -13.033 -8.236 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.423 -12.237 -8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.114 -14.599 -9.732 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.454 -15.053 -9.402 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.870 -15.417 -11.539 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.736 -14.115 -12.725 1.00 0.00 H new ATOM 275 N ALA A 21 9.173 -14.090 -7.750 1.00 0.00 N ATOM 276 CA ALA A 21 10.589 -13.786 -7.917 1.00 0.00 C ATOM 277 C ALA A 21 10.812 -12.841 -9.092 1.00 0.00 C ATOM 278 O ALA A 21 10.343 -13.093 -10.202 1.00 0.00 O ATOM 279 CB ALA A 21 11.385 -15.068 -8.109 1.00 0.00 C ATOM 0 H ALA A 21 8.931 -15.069 -7.904 1.00 0.00 H new ATOM 0 HA ALA A 21 10.938 -13.287 -7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.441 -14.826 -8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.259 -15.708 -7.236 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.026 -15.590 -8.996 1.00 0.00 H new ATOM 285 N SER A 22 11.532 -11.751 -8.841 1.00 0.00 N ATOM 286 CA SER A 22 11.813 -10.766 -9.879 1.00 0.00 C ATOM 287 C SER A 22 12.889 -11.275 -10.834 1.00 0.00 C ATOM 288 O SER A 22 12.737 -11.200 -12.053 1.00 0.00 O ATOM 289 CB SER A 22 12.259 -9.445 -9.249 1.00 0.00 C ATOM 290 OG SER A 22 13.497 -9.592 -8.576 1.00 0.00 O ATOM 0 H SER A 22 11.931 -11.528 -7.929 1.00 0.00 H new ATOM 0 HA SER A 22 10.897 -10.600 -10.446 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.351 -8.683 -10.023 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.500 -9.098 -8.548 1.00 0.00 H new ATOM 0 HG SER A 22 13.760 -8.733 -8.184 1.00 0.00 H new ATOM 296 N SER A 23 13.975 -11.793 -10.270 1.00 0.00 N ATOM 297 CA SER A 23 15.078 -12.311 -11.070 1.00 0.00 C ATOM 298 C SER A 23 15.065 -13.837 -11.091 1.00 0.00 C ATOM 299 O SER A 23 14.412 -14.474 -10.265 1.00 0.00 O ATOM 300 CB SER A 23 16.415 -11.809 -10.520 1.00 0.00 C ATOM 301 OG SER A 23 16.761 -10.557 -11.086 1.00 0.00 O ATOM 0 H SER A 23 14.115 -11.865 -9.262 1.00 0.00 H new ATOM 0 HA SER A 23 14.954 -11.950 -12.091 1.00 0.00 H new ATOM 0 HB2 SER A 23 16.354 -11.717 -9.436 1.00 0.00 H new ATOM 0 HB3 SER A 23 17.197 -12.537 -10.735 1.00 0.00 H new ATOM 0 HG SER A 23 17.618 -10.257 -10.717 1.00 0.00 H new ATOM 307 N GLY A 24 15.791 -14.416 -12.042 1.00 0.00 N ATOM 308 CA GLY A 24 15.849 -15.862 -12.154 1.00 0.00 C ATOM 309 C GLY A 24 14.521 -16.466 -12.565 1.00 0.00 C ATOM 310 O GLY A 24 13.613 -15.753 -12.994 1.00 0.00 O ATOM 0 H GLY A 24 16.340 -13.910 -12.737 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.611 -16.136 -12.884 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.157 -16.285 -11.198 1.00 0.00 H new ATOM 314 N VAL A 25 14.406 -17.784 -12.437 1.00 0.00 N ATOM 315 CA VAL A 25 13.180 -18.484 -12.800 1.00 0.00 C ATOM 316 C VAL A 25 11.954 -17.771 -12.238 1.00 0.00 C ATOM 317 O VAL A 25 12.066 -16.929 -11.347 1.00 0.00 O ATOM 318 CB VAL A 25 13.192 -19.938 -12.292 1.00 0.00 C ATOM 319 CG1 VAL A 25 12.726 -20.002 -10.845 1.00 0.00 C ATOM 320 CG2 VAL A 25 12.326 -20.819 -13.179 1.00 0.00 C ATOM 0 H VAL A 25 15.148 -18.389 -12.084 1.00 0.00 H new ATOM 0 HA VAL A 25 13.128 -18.488 -13.889 1.00 0.00 H new ATOM 0 HB VAL A 25 14.215 -20.312 -12.336 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.741 -21.037 -10.503 1.00 0.00 H new ATOM 0 HG12 VAL A 25 13.391 -19.404 -10.222 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.711 -19.611 -10.772 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.346 -21.843 -12.806 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.301 -20.449 -13.169 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.710 -20.797 -14.199 1.00 0.00 H new ATOM 330 N LYS A 26 10.784 -18.115 -12.766 1.00 0.00 N ATOM 331 CA LYS A 26 9.535 -17.510 -12.317 1.00 0.00 C ATOM 332 C LYS A 26 8.842 -18.395 -11.287 1.00 0.00 C ATOM 333 O LYS A 26 7.992 -19.216 -11.633 1.00 0.00 O ATOM 334 CB LYS A 26 8.605 -17.270 -13.508 1.00 0.00 C ATOM 335 CG LYS A 26 8.908 -15.991 -14.269 1.00 0.00 C ATOM 336 CD LYS A 26 8.142 -14.808 -13.701 1.00 0.00 C ATOM 337 CE LYS A 26 8.873 -13.498 -13.950 1.00 0.00 C ATOM 338 NZ LYS A 26 8.868 -13.125 -15.392 1.00 0.00 N ATOM 0 H LYS A 26 10.674 -18.809 -13.505 1.00 0.00 H new ATOM 0 HA LYS A 26 9.770 -16.554 -11.849 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.679 -18.116 -14.192 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.575 -17.236 -13.153 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.978 -15.787 -14.227 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.650 -16.122 -15.320 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.151 -14.764 -14.153 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.998 -14.947 -12.630 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.404 -12.704 -13.368 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.902 -13.584 -13.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.376 -12.227 -15.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.338 -13.870 -15.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.887 -13.017 -15.719 1.00 0.00 H new ATOM 352 N GLN A 27 9.208 -18.221 -10.021 1.00 0.00 N ATOM 353 CA GLN A 27 8.620 -19.005 -8.941 1.00 0.00 C ATOM 354 C GLN A 27 8.001 -18.096 -7.884 1.00 0.00 C ATOM 355 O GLN A 27 7.994 -16.874 -8.030 1.00 0.00 O ATOM 356 CB GLN A 27 9.678 -19.905 -8.301 1.00 0.00 C ATOM 357 CG GLN A 27 10.907 -19.152 -7.820 1.00 0.00 C ATOM 358 CD GLN A 27 11.853 -20.028 -7.022 1.00 0.00 C ATOM 359 OE1 GLN A 27 11.656 -21.238 -6.916 1.00 0.00 O ATOM 360 NE2 GLN A 27 12.888 -19.419 -6.455 1.00 0.00 N ATOM 0 H GLN A 27 9.909 -17.544 -9.718 1.00 0.00 H new ATOM 0 HA GLN A 27 7.832 -19.628 -9.365 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.232 -20.433 -7.458 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.985 -20.661 -9.024 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.436 -18.741 -8.680 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.594 -18.308 -7.205 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.013 -18.413 -6.569 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.558 -19.957 -5.906 1.00 0.00 H new ATOM 369 N TRP A 28 7.483 -18.701 -6.822 1.00 0.00 N ATOM 370 CA TRP A 28 6.861 -17.945 -5.740 1.00 0.00 C ATOM 371 C TRP A 28 7.519 -18.268 -4.403 1.00 0.00 C ATOM 372 O TRP A 28 7.616 -19.431 -4.014 1.00 0.00 O ATOM 373 CB TRP A 28 5.364 -18.250 -5.673 1.00 0.00 C ATOM 374 CG TRP A 28 4.600 -17.740 -6.857 1.00 0.00 C ATOM 375 CD1 TRP A 28 4.570 -18.284 -8.109 1.00 0.00 C ATOM 376 CD2 TRP A 28 3.759 -16.582 -6.901 1.00 0.00 C ATOM 377 NE1 TRP A 28 3.760 -17.535 -8.928 1.00 0.00 N ATOM 378 CE2 TRP A 28 3.250 -16.486 -8.211 1.00 0.00 C ATOM 379 CE3 TRP A 28 3.384 -15.618 -5.961 1.00 0.00 C ATOM 380 CZ2 TRP A 28 2.389 -15.464 -8.601 1.00 0.00 C ATOM 381 CZ3 TRP A 28 2.530 -14.605 -6.350 1.00 0.00 C ATOM 382 CH2 TRP A 28 2.039 -14.534 -7.660 1.00 0.00 C ATOM 0 H TRP A 28 7.481 -19.712 -6.686 1.00 0.00 H new ATOM 0 HA TRP A 28 6.999 -16.883 -5.945 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.223 -19.328 -5.596 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.951 -17.809 -4.766 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.104 -19.173 -8.411 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.569 -17.729 -9.911 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.756 -15.665 -4.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.010 -15.407 -9.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.235 -13.854 -5.632 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.371 -13.730 -7.933 1.00 0.00 H new ATOM 393 N ASN A 29 7.967 -17.231 -3.703 1.00 0.00 N ATOM 394 CA ASN A 29 8.616 -17.405 -2.409 1.00 0.00 C ATOM 395 C ASN A 29 7.748 -16.846 -1.285 1.00 0.00 C ATOM 396 O ASN A 29 7.402 -15.664 -1.282 1.00 0.00 O ATOM 397 CB ASN A 29 9.983 -16.717 -2.403 1.00 0.00 C ATOM 398 CG ASN A 29 10.969 -17.383 -3.343 1.00 0.00 C ATOM 399 OD1 ASN A 29 11.726 -18.267 -2.942 1.00 0.00 O ATOM 400 ND2 ASN A 29 10.964 -16.960 -4.602 1.00 0.00 N ATOM 0 H ASN A 29 7.892 -16.261 -4.010 1.00 0.00 H new ATOM 0 HA ASN A 29 8.754 -18.473 -2.241 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.862 -15.672 -2.688 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.387 -16.726 -1.391 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.605 -17.371 -5.281 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.319 -16.224 -4.890 1.00 0.00 H new ATOM 407 N LYS A 30 7.400 -17.703 -0.332 1.00 0.00 N ATOM 408 CA LYS A 30 6.574 -17.296 0.799 1.00 0.00 C ATOM 409 C LYS A 30 7.288 -16.246 1.645 1.00 0.00 C ATOM 410 O LYS A 30 8.487 -16.355 1.904 1.00 0.00 O ATOM 411 CB LYS A 30 6.222 -18.509 1.663 1.00 0.00 C ATOM 412 CG LYS A 30 5.189 -18.213 2.736 1.00 0.00 C ATOM 413 CD LYS A 30 4.924 -19.430 3.606 1.00 0.00 C ATOM 414 CE LYS A 30 3.752 -19.197 4.547 1.00 0.00 C ATOM 415 NZ LYS A 30 3.352 -20.446 5.254 1.00 0.00 N ATOM 0 H LYS A 30 7.677 -18.685 -0.320 1.00 0.00 H new ATOM 0 HA LYS A 30 5.656 -16.858 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.848 -19.306 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.130 -18.882 2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.536 -17.388 3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.259 -17.890 2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.718 -20.293 2.973 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.816 -19.666 4.186 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.020 -18.435 5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.903 -18.812 3.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.550 -20.246 5.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.072 -21.165 4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.154 -20.800 5.814 1.00 0.00 H new ATOM 429 N ARG A 31 6.545 -15.231 2.072 1.00 0.00 N ATOM 430 CA ARG A 31 7.107 -14.162 2.888 1.00 0.00 C ATOM 431 C ARG A 31 6.015 -13.453 3.683 1.00 0.00 C ATOM 432 O ARG A 31 4.874 -13.350 3.233 1.00 0.00 O ATOM 433 CB ARG A 31 7.848 -13.155 2.007 1.00 0.00 C ATOM 434 CG ARG A 31 8.967 -12.422 2.729 1.00 0.00 C ATOM 435 CD ARG A 31 10.133 -13.349 3.035 1.00 0.00 C ATOM 436 NE ARG A 31 10.778 -13.838 1.819 1.00 0.00 N ATOM 437 CZ ARG A 31 12.020 -14.307 1.784 1.00 0.00 C ATOM 438 NH1 ARG A 31 12.747 -14.351 2.892 1.00 0.00 N ATOM 439 NH2 ARG A 31 12.537 -14.734 0.639 1.00 0.00 N ATOM 0 H ARG A 31 5.551 -15.126 1.866 1.00 0.00 H new ATOM 0 HA ARG A 31 7.812 -14.607 3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.264 -13.676 1.145 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.134 -12.425 1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.313 -11.590 2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.585 -11.997 3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.865 -12.821 3.646 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.778 -14.196 3.623 1.00 0.00 H new ATOM 0 HE ARG A 31 10.245 -13.818 0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.353 -14.024 3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.701 -14.712 2.862 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.980 -14.702 -0.215 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.491 -15.094 0.613 1.00 0.00 H new ATOM 453 N TRP A 32 6.373 -12.967 4.866 1.00 0.00 N ATOM 454 CA TRP A 32 5.423 -12.268 5.724 1.00 0.00 C ATOM 455 C TRP A 32 5.238 -10.824 5.269 1.00 0.00 C ATOM 456 O TRP A 32 6.185 -10.037 5.270 1.00 0.00 O ATOM 457 CB TRP A 32 5.897 -12.300 7.178 1.00 0.00 C ATOM 458 CG TRP A 32 4.925 -11.679 8.134 1.00 0.00 C ATOM 459 CD1 TRP A 32 5.114 -10.548 8.876 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.613 -12.155 8.452 1.00 0.00 C ATOM 461 NE1 TRP A 32 3.999 -10.292 9.637 1.00 0.00 N ATOM 462 CE2 TRP A 32 3.063 -11.263 9.394 1.00 0.00 C ATOM 463 CE3 TRP A 32 2.848 -13.246 8.032 1.00 0.00 C ATOM 464 CZ2 TRP A 32 1.785 -11.432 9.921 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.580 -13.413 8.556 1.00 0.00 C ATOM 466 CH2 TRP A 32 1.059 -12.509 9.492 1.00 0.00 C ATOM 0 H TRP A 32 7.314 -13.044 5.253 1.00 0.00 H new ATOM 0 HA TRP A 32 4.463 -12.779 5.651 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.074 -13.335 7.472 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.852 -11.780 7.253 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.009 -9.943 8.866 1.00 0.00 H new ATOM 0 HE1 TRP A 32 3.886 -9.507 10.278 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.241 -13.947 7.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.381 -10.737 10.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.981 -14.254 8.239 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.064 -12.666 9.882 1.00 0.00 H new ATOM 477 N PHE A 33 4.014 -10.483 4.880 1.00 0.00 N ATOM 478 CA PHE A 33 3.706 -9.134 4.421 1.00 0.00 C ATOM 479 C PHE A 33 2.791 -8.418 5.411 1.00 0.00 C ATOM 480 O PHE A 33 1.777 -8.965 5.843 1.00 0.00 O ATOM 481 CB PHE A 33 3.047 -9.179 3.041 1.00 0.00 C ATOM 482 CG PHE A 33 4.030 -9.280 1.910 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.601 -10.497 1.576 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.384 -8.156 1.181 1.00 0.00 C ATOM 485 CE1 PHE A 33 5.506 -10.593 0.536 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.288 -8.246 0.139 1.00 0.00 C ATOM 487 CZ PHE A 33 5.850 -9.466 -0.183 1.00 0.00 C ATOM 0 H PHE A 33 3.219 -11.122 4.874 1.00 0.00 H new ATOM 0 HA PHE A 33 4.642 -8.579 4.351 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.368 -10.031 2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.442 -8.282 2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.336 -11.382 2.135 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.949 -7.199 1.430 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.943 -11.548 0.286 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.555 -7.363 -0.423 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.557 -9.538 -0.996 1.00 0.00 H new ATOM 497 N VAL A 34 3.158 -7.191 5.766 1.00 0.00 N ATOM 498 CA VAL A 34 2.372 -6.399 6.704 1.00 0.00 C ATOM 499 C VAL A 34 2.089 -5.008 6.148 1.00 0.00 C ATOM 500 O VAL A 34 2.967 -4.144 6.133 1.00 0.00 O ATOM 501 CB VAL A 34 3.088 -6.262 8.061 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.289 -5.368 8.998 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.317 -7.631 8.683 1.00 0.00 C ATOM 0 H VAL A 34 3.995 -6.724 5.418 1.00 0.00 H new ATOM 0 HA VAL A 34 1.429 -6.927 6.851 1.00 0.00 H new ATOM 0 HB VAL A 34 4.060 -5.797 7.895 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.810 -5.283 9.952 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.182 -4.379 8.553 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.302 -5.801 9.161 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.824 -7.515 9.641 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.358 -8.126 8.837 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.934 -8.235 8.017 1.00 0.00 H new ATOM 513 N LEU A 35 0.860 -4.798 5.691 1.00 0.00 N ATOM 514 CA LEU A 35 0.460 -3.511 5.134 1.00 0.00 C ATOM 515 C LEU A 35 0.576 -2.405 6.178 1.00 0.00 C ATOM 516 O LEU A 35 0.121 -2.557 7.312 1.00 0.00 O ATOM 517 CB LEU A 35 -0.975 -3.583 4.609 1.00 0.00 C ATOM 518 CG LEU A 35 -1.673 -2.243 4.375 1.00 0.00 C ATOM 519 CD1 LEU A 35 -0.899 -1.407 3.368 1.00 0.00 C ATOM 520 CD2 LEU A 35 -3.103 -2.461 3.904 1.00 0.00 C ATOM 0 H LEU A 35 0.123 -5.503 5.695 1.00 0.00 H new ATOM 0 HA LEU A 35 1.131 -3.277 4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.969 -4.136 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.570 -4.161 5.316 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.703 -1.701 5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.411 -0.457 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.106 -1.221 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.837 -1.943 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.584 -1.496 3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.097 -3.024 2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.654 -3.019 4.661 1.00 0.00 H new ATOM 532 N VAL A 36 1.187 -1.291 5.788 1.00 0.00 N ATOM 533 CA VAL A 36 1.360 -0.158 6.689 1.00 0.00 C ATOM 534 C VAL A 36 0.803 1.122 6.076 1.00 0.00 C ATOM 535 O VAL A 36 0.183 1.094 5.013 1.00 0.00 O ATOM 536 CB VAL A 36 2.844 0.058 7.041 1.00 0.00 C ATOM 537 CG1 VAL A 36 3.508 0.970 6.020 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.981 0.627 8.445 1.00 0.00 C ATOM 0 H VAL A 36 1.571 -1.149 4.854 1.00 0.00 H new ATOM 0 HA VAL A 36 0.808 -0.391 7.600 1.00 0.00 H new ATOM 0 HB VAL A 36 3.350 -0.907 7.014 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.556 1.111 6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.442 0.518 5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.003 1.936 6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.036 0.773 8.677 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.461 1.583 8.502 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.544 -0.067 9.163 1.00 0.00 H new ATOM 548 N ASP A 37 1.029 2.242 6.753 1.00 0.00 N ATOM 549 CA ASP A 37 0.552 3.534 6.274 1.00 0.00 C ATOM 550 C ASP A 37 1.047 3.806 4.857 1.00 0.00 C ATOM 551 O ASP A 37 2.252 3.819 4.602 1.00 0.00 O ATOM 552 CB ASP A 37 1.012 4.652 7.212 1.00 0.00 C ATOM 553 CG ASP A 37 0.025 5.801 7.271 1.00 0.00 C ATOM 554 OD1 ASP A 37 -1.167 5.576 6.970 1.00 0.00 O ATOM 555 OD2 ASP A 37 0.443 6.925 7.618 1.00 0.00 O ATOM 0 H ASP A 37 1.540 2.281 7.635 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.538 3.508 6.260 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.153 4.247 8.214 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.981 5.026 6.880 1.00 0.00 H new ATOM 560 N ARG A 38 0.111 4.022 3.939 1.00 0.00 N ATOM 561 CA ARG A 38 0.453 4.291 2.548 1.00 0.00 C ATOM 562 C ARG A 38 1.754 3.592 2.162 1.00 0.00 C ATOM 563 O ARG A 38 2.574 4.147 1.430 1.00 0.00 O ATOM 564 CB ARG A 38 0.582 5.797 2.314 1.00 0.00 C ATOM 565 CG ARG A 38 -0.711 6.562 2.546 1.00 0.00 C ATOM 566 CD ARG A 38 -0.795 7.796 1.662 1.00 0.00 C ATOM 567 NE ARG A 38 -1.565 8.868 2.288 1.00 0.00 N ATOM 568 CZ ARG A 38 -1.147 9.549 3.349 1.00 0.00 C ATOM 569 NH1 ARG A 38 0.027 9.273 3.899 1.00 0.00 N ATOM 570 NH2 ARG A 38 -1.905 10.510 3.862 1.00 0.00 N ATOM 0 H ARG A 38 -0.890 4.016 4.134 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.349 3.900 1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.353 6.194 2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.918 5.970 1.292 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.561 5.911 2.345 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.777 6.858 3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.211 8.153 1.442 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.254 7.529 0.710 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.473 9.106 1.889 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.613 8.535 3.508 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.345 9.798 4.714 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.809 10.726 3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.584 11.033 4.677 1.00 0.00 H new ATOM 584 N CYS A 39 1.935 2.374 2.660 1.00 0.00 N ATOM 585 CA CYS A 39 3.137 1.601 2.370 1.00 0.00 C ATOM 586 C CYS A 39 2.977 0.155 2.830 1.00 0.00 C ATOM 587 O CYS A 39 2.001 -0.191 3.496 1.00 0.00 O ATOM 588 CB CYS A 39 4.353 2.234 3.048 1.00 0.00 C ATOM 589 SG CYS A 39 5.903 2.007 2.145 1.00 0.00 S ATOM 0 H CYS A 39 1.265 1.901 3.266 1.00 0.00 H new ATOM 0 HA CYS A 39 3.290 1.605 1.291 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.171 3.301 3.173 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.461 1.810 4.046 1.00 0.00 H new ATOM 0 HG CYS A 39 5.748 1.085 1.242 1.00 0.00 H new ATOM 595 N LEU A 40 3.942 -0.684 2.471 1.00 0.00 N ATOM 596 CA LEU A 40 3.909 -2.094 2.846 1.00 0.00 C ATOM 597 C LEU A 40 5.315 -2.619 3.114 1.00 0.00 C ATOM 598 O LEU A 40 6.261 -2.283 2.402 1.00 0.00 O ATOM 599 CB LEU A 40 3.245 -2.920 1.743 1.00 0.00 C ATOM 600 CG LEU A 40 3.412 -4.436 1.848 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.694 -4.969 3.078 1.00 0.00 C ATOM 602 CD2 LEU A 40 2.895 -5.117 0.589 1.00 0.00 C ATOM 0 H LEU A 40 4.757 -0.413 1.921 1.00 0.00 H new ATOM 0 HA LEU A 40 3.326 -2.187 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.179 -2.691 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.646 -2.596 0.783 1.00 0.00 H new ATOM 0 HG LEU A 40 4.474 -4.659 1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.824 -6.050 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.111 -4.505 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.632 -4.735 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.022 -6.196 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.838 -4.885 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.455 -4.758 -0.275 1.00 0.00 H new ATOM 614 N PHE A 41 5.445 -3.447 4.145 1.00 0.00 N ATOM 615 CA PHE A 41 6.736 -4.021 4.507 1.00 0.00 C ATOM 616 C PHE A 41 6.647 -5.541 4.607 1.00 0.00 C ATOM 617 O PHE A 41 5.597 -6.092 4.940 1.00 0.00 O ATOM 618 CB PHE A 41 7.223 -3.439 5.836 1.00 0.00 C ATOM 619 CG PHE A 41 7.599 -1.987 5.752 1.00 0.00 C ATOM 620 CD1 PHE A 41 8.840 -1.605 5.269 1.00 0.00 C ATOM 621 CD2 PHE A 41 6.710 -1.003 6.156 1.00 0.00 C ATOM 622 CE1 PHE A 41 9.188 -0.270 5.192 1.00 0.00 C ATOM 623 CE2 PHE A 41 7.053 0.334 6.081 1.00 0.00 C ATOM 624 CZ PHE A 41 8.293 0.701 5.597 1.00 0.00 C ATOM 0 H PHE A 41 4.672 -3.736 4.745 1.00 0.00 H new ATOM 0 HA PHE A 41 7.450 -3.767 3.724 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.441 -3.561 6.585 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.085 -4.010 6.180 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.544 -2.359 4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.738 -1.284 6.534 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.159 0.014 4.815 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.352 1.091 6.401 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.563 1.745 5.535 1.00 0.00 H new ATOM 634 N TYR A 42 7.756 -6.213 4.317 1.00 0.00 N ATOM 635 CA TYR A 42 7.803 -7.669 4.371 1.00 0.00 C ATOM 636 C TYR A 42 9.017 -8.146 5.164 1.00 0.00 C ATOM 637 O TYR A 42 10.086 -7.538 5.109 1.00 0.00 O ATOM 638 CB TYR A 42 7.843 -8.252 2.958 1.00 0.00 C ATOM 639 CG TYR A 42 9.124 -7.951 2.214 1.00 0.00 C ATOM 640 CD1 TYR A 42 10.242 -8.763 2.359 1.00 0.00 C ATOM 641 CD2 TYR A 42 9.217 -6.854 1.366 1.00 0.00 C ATOM 642 CE1 TYR A 42 11.415 -8.491 1.682 1.00 0.00 C ATOM 643 CE2 TYR A 42 10.386 -6.575 0.684 1.00 0.00 C ATOM 644 CZ TYR A 42 11.482 -7.396 0.845 1.00 0.00 C ATOM 645 OH TYR A 42 12.648 -7.123 0.168 1.00 0.00 O ATOM 0 H TYR A 42 8.634 -5.772 4.042 1.00 0.00 H new ATOM 0 HA TYR A 42 6.902 -8.017 4.875 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.712 -9.333 3.016 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.001 -7.859 2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.193 -9.622 3.012 1.00 0.00 H new ATOM 0 HD2 TYR A 42 8.361 -6.208 1.238 1.00 0.00 H new ATOM 0 HE1 TYR A 42 12.275 -9.132 1.807 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.441 -5.719 0.028 1.00 0.00 H new ATOM 0 HH TYR A 42 12.467 -6.479 -0.549 1.00 0.00 H new ATOM 655 N TYR A 43 8.842 -9.237 5.900 1.00 0.00 N ATOM 656 CA TYR A 43 9.921 -9.796 6.707 1.00 0.00 C ATOM 657 C TYR A 43 10.070 -11.293 6.455 1.00 0.00 C ATOM 658 O TYR A 43 9.163 -11.941 5.933 1.00 0.00 O ATOM 659 CB TYR A 43 9.661 -9.540 8.192 1.00 0.00 C ATOM 660 CG TYR A 43 9.066 -8.180 8.477 1.00 0.00 C ATOM 661 CD1 TYR A 43 7.768 -7.872 8.089 1.00 0.00 C ATOM 662 CD2 TYR A 43 9.802 -7.202 9.136 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.221 -6.630 8.347 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.262 -5.958 9.400 1.00 0.00 C ATOM 665 CZ TYR A 43 7.972 -5.677 9.003 1.00 0.00 C ATOM 666 OH TYR A 43 7.430 -4.439 9.263 1.00 0.00 O ATOM 0 H TYR A 43 7.964 -9.752 5.955 1.00 0.00 H new ATOM 0 HA TYR A 43 10.849 -9.303 6.418 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.988 -10.309 8.572 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.599 -9.639 8.739 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.176 -8.616 7.577 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.813 -7.418 9.447 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.211 -6.406 8.037 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.847 -5.210 9.914 1.00 0.00 H new ATOM 0 HH TYR A 43 8.089 -3.886 9.732 1.00 0.00 H new ATOM 676 N LYS A 44 11.222 -11.838 6.832 1.00 0.00 N ATOM 677 CA LYS A 44 11.492 -13.259 6.650 1.00 0.00 C ATOM 678 C LYS A 44 10.409 -14.107 7.309 1.00 0.00 C ATOM 679 O LYS A 44 9.952 -15.099 6.739 1.00 0.00 O ATOM 680 CB LYS A 44 12.861 -13.618 7.234 1.00 0.00 C ATOM 681 CG LYS A 44 13.496 -14.837 6.589 1.00 0.00 C ATOM 682 CD LYS A 44 14.992 -14.891 6.853 1.00 0.00 C ATOM 683 CE LYS A 44 15.717 -15.698 5.787 1.00 0.00 C ATOM 684 NZ LYS A 44 15.712 -17.155 6.094 1.00 0.00 N ATOM 0 H LYS A 44 11.984 -11.316 7.266 1.00 0.00 H new ATOM 0 HA LYS A 44 11.493 -13.469 5.580 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.531 -12.766 7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.755 -13.797 8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.025 -15.741 6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.316 -14.817 5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.394 -13.878 6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.174 -15.333 7.832 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.244 -15.529 4.820 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.746 -15.348 5.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.216 -17.670 5.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.186 -17.319 7.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.731 -17.495 6.148 1.00 0.00 H new ATOM 698 N ASP A 45 10.002 -13.711 8.509 1.00 0.00 N ATOM 699 CA ASP A 45 8.970 -14.434 9.244 1.00 0.00 C ATOM 700 C ASP A 45 8.143 -13.479 10.100 1.00 0.00 C ATOM 701 O ASP A 45 8.412 -12.279 10.144 1.00 0.00 O ATOM 702 CB ASP A 45 9.601 -15.512 10.125 1.00 0.00 C ATOM 703 CG ASP A 45 10.965 -15.106 10.649 1.00 0.00 C ATOM 704 OD1 ASP A 45 11.209 -13.889 10.787 1.00 0.00 O ATOM 705 OD2 ASP A 45 11.788 -16.005 10.921 1.00 0.00 O ATOM 0 H ASP A 45 10.371 -12.893 8.994 1.00 0.00 H new ATOM 0 HA ASP A 45 8.309 -14.910 8.520 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.940 -15.723 10.966 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.695 -16.435 9.554 1.00 0.00 H new ATOM 710 N GLU A 46 7.136 -14.021 10.778 1.00 0.00 N ATOM 711 CA GLU A 46 6.269 -13.217 11.631 1.00 0.00 C ATOM 712 C GLU A 46 7.092 -12.376 12.603 1.00 0.00 C ATOM 713 O GLU A 46 6.643 -11.328 13.069 1.00 0.00 O ATOM 714 CB GLU A 46 5.304 -14.115 12.407 1.00 0.00 C ATOM 715 CG GLU A 46 5.976 -15.313 13.056 1.00 0.00 C ATOM 716 CD GLU A 46 5.154 -15.902 14.186 1.00 0.00 C ATOM 717 OE1 GLU A 46 5.050 -15.249 15.246 1.00 0.00 O ATOM 718 OE2 GLU A 46 4.614 -17.014 14.011 1.00 0.00 O ATOM 0 H GLU A 46 6.901 -15.013 10.753 1.00 0.00 H new ATOM 0 HA GLU A 46 5.694 -12.546 10.992 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.811 -13.523 13.179 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.526 -14.468 11.730 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.151 -16.080 12.301 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.952 -15.014 13.439 1.00 0.00 H new ATOM 725 N LYS A 47 8.298 -12.843 12.906 1.00 0.00 N ATOM 726 CA LYS A 47 9.185 -12.136 13.822 1.00 0.00 C ATOM 727 C LYS A 47 9.270 -10.656 13.463 1.00 0.00 C ATOM 728 O LYS A 47 9.429 -9.805 14.337 1.00 0.00 O ATOM 729 CB LYS A 47 10.583 -12.759 13.794 1.00 0.00 C ATOM 730 CG LYS A 47 10.667 -14.096 14.510 1.00 0.00 C ATOM 731 CD LYS A 47 11.011 -13.920 15.980 1.00 0.00 C ATOM 732 CE LYS A 47 10.766 -15.199 16.766 1.00 0.00 C ATOM 733 NZ LYS A 47 9.317 -15.419 17.029 1.00 0.00 N ATOM 0 H LYS A 47 8.684 -13.709 12.530 1.00 0.00 H new ATOM 0 HA LYS A 47 8.774 -12.225 14.828 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.892 -12.891 12.757 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.290 -12.066 14.251 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.715 -14.620 14.418 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.422 -14.720 14.031 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.056 -13.626 16.078 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.412 -13.112 16.401 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.168 -16.048 16.213 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.304 -15.152 17.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.198 -16.253 17.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.920 -14.584 17.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.820 -15.574 16.128 1.00 0.00 H new ATOM 747 N GLU A 48 9.161 -10.357 12.172 1.00 0.00 N ATOM 748 CA GLU A 48 9.225 -8.979 11.700 1.00 0.00 C ATOM 749 C GLU A 48 10.147 -8.143 12.583 1.00 0.00 C ATOM 750 O GLU A 48 9.872 -6.975 12.854 1.00 0.00 O ATOM 751 CB GLU A 48 7.826 -8.360 11.675 1.00 0.00 C ATOM 752 CG GLU A 48 7.150 -8.326 13.035 1.00 0.00 C ATOM 753 CD GLU A 48 7.514 -7.092 13.837 1.00 0.00 C ATOM 754 OE1 GLU A 48 7.513 -5.986 13.257 1.00 0.00 O ATOM 755 OE2 GLU A 48 7.799 -7.232 15.045 1.00 0.00 O ATOM 0 H GLU A 48 9.028 -11.050 11.435 1.00 0.00 H new ATOM 0 HA GLU A 48 9.629 -8.987 10.688 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.895 -7.344 11.288 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.201 -8.924 10.982 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.069 -8.361 12.900 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.430 -9.216 13.598 1.00 0.00 H new ATOM 762 N GLU A 49 11.242 -8.752 13.028 1.00 0.00 N ATOM 763 CA GLU A 49 12.204 -8.064 13.881 1.00 0.00 C ATOM 764 C GLU A 49 13.005 -7.040 13.082 1.00 0.00 C ATOM 765 O GLU A 49 13.353 -5.975 13.592 1.00 0.00 O ATOM 766 CB GLU A 49 13.152 -9.072 14.534 1.00 0.00 C ATOM 767 CG GLU A 49 12.457 -10.036 15.482 1.00 0.00 C ATOM 768 CD GLU A 49 12.354 -9.493 16.894 1.00 0.00 C ATOM 769 OE1 GLU A 49 13.342 -9.613 17.648 1.00 0.00 O ATOM 770 OE2 GLU A 49 11.286 -8.949 17.245 1.00 0.00 O ATOM 0 H GLU A 49 11.485 -9.719 12.812 1.00 0.00 H new ATOM 0 HA GLU A 49 11.650 -7.539 14.660 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.656 -9.643 13.754 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.924 -8.531 15.081 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.457 -10.252 15.106 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.002 -10.980 15.499 1.00 0.00 H new ATOM 777 N SER A 50 13.294 -7.371 11.828 1.00 0.00 N ATOM 778 CA SER A 50 14.058 -6.483 10.960 1.00 0.00 C ATOM 779 C SER A 50 13.476 -6.470 9.549 1.00 0.00 C ATOM 780 O SER A 50 13.299 -7.520 8.930 1.00 0.00 O ATOM 781 CB SER A 50 15.524 -6.916 10.915 1.00 0.00 C ATOM 782 OG SER A 50 15.672 -8.147 10.228 1.00 0.00 O ATOM 0 H SER A 50 13.011 -8.248 11.390 1.00 0.00 H new ATOM 0 HA SER A 50 13.997 -5.475 11.369 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.118 -6.147 10.422 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.909 -7.014 11.930 1.00 0.00 H new ATOM 0 HG SER A 50 14.904 -8.285 9.635 1.00 0.00 H new ATOM 788 N ILE A 51 13.182 -5.276 9.048 1.00 0.00 N ATOM 789 CA ILE A 51 12.622 -5.125 7.711 1.00 0.00 C ATOM 790 C ILE A 51 13.648 -5.482 6.641 1.00 0.00 C ATOM 791 O ILE A 51 14.832 -5.168 6.772 1.00 0.00 O ATOM 792 CB ILE A 51 12.122 -3.689 7.468 1.00 0.00 C ATOM 793 CG1 ILE A 51 11.006 -3.340 8.456 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.636 -3.533 6.035 1.00 0.00 C ATOM 795 CD1 ILE A 51 10.726 -1.857 8.551 1.00 0.00 C ATOM 0 H ILE A 51 13.322 -4.398 9.548 1.00 0.00 H new ATOM 0 HA ILE A 51 11.777 -5.811 7.644 1.00 0.00 H new ATOM 0 HB ILE A 51 12.951 -2.999 7.627 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.093 -3.856 8.158 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.276 -3.715 9.443 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.286 -2.513 5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.455 -3.745 5.348 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.818 -4.230 5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.924 -1.683 9.269 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.626 -1.337 8.879 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.425 -1.480 7.573 1.00 0.00 H new ATOM 807 N LEU A 52 13.188 -6.139 5.582 1.00 0.00 N ATOM 808 CA LEU A 52 14.065 -6.537 4.488 1.00 0.00 C ATOM 809 C LEU A 52 13.884 -5.620 3.282 1.00 0.00 C ATOM 810 O LEU A 52 14.856 -5.200 2.657 1.00 0.00 O ATOM 811 CB LEU A 52 13.787 -7.987 4.086 1.00 0.00 C ATOM 812 CG LEU A 52 13.976 -9.035 5.183 1.00 0.00 C ATOM 813 CD1 LEU A 52 13.235 -10.316 4.831 1.00 0.00 C ATOM 814 CD2 LEU A 52 15.456 -9.316 5.403 1.00 0.00 C ATOM 0 H LEU A 52 12.212 -6.407 5.458 1.00 0.00 H new ATOM 0 HA LEU A 52 15.095 -6.453 4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.762 -8.052 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.439 -8.243 3.251 1.00 0.00 H new ATOM 0 HG LEU A 52 13.559 -8.642 6.110 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.381 -11.050 5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.171 -10.104 4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.621 -10.713 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.572 -10.064 6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 52 15.897 -9.688 4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 52 15.960 -8.397 5.701 1.00 0.00 H new ATOM 826 N GLY A 53 12.630 -5.311 2.964 1.00 0.00 N ATOM 827 CA GLY A 53 12.344 -4.444 1.836 1.00 0.00 C ATOM 828 C GLY A 53 11.121 -3.579 2.066 1.00 0.00 C ATOM 829 O GLY A 53 10.208 -3.963 2.797 1.00 0.00 O ATOM 0 H GLY A 53 11.808 -5.645 3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.206 -3.805 1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.193 -5.052 0.944 1.00 0.00 H new ATOM 833 N SER A 54 11.102 -2.405 1.442 1.00 0.00 N ATOM 834 CA SER A 54 9.984 -1.480 1.587 1.00 0.00 C ATOM 835 C SER A 54 9.289 -1.254 0.248 1.00 0.00 C ATOM 836 O SER A 54 9.942 -1.078 -0.781 1.00 0.00 O ATOM 837 CB SER A 54 10.471 -0.145 2.154 1.00 0.00 C ATOM 838 OG SER A 54 11.281 0.543 1.216 1.00 0.00 O ATOM 0 H SER A 54 11.848 -2.072 0.831 1.00 0.00 H new ATOM 0 HA SER A 54 9.266 -1.921 2.279 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.615 0.474 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 54 11.037 -0.320 3.069 1.00 0.00 H new ATOM 0 HG SER A 54 11.578 1.394 1.602 1.00 0.00 H new ATOM 844 N ILE A 55 7.960 -1.260 0.270 1.00 0.00 N ATOM 845 CA ILE A 55 7.176 -1.055 -0.941 1.00 0.00 C ATOM 846 C ILE A 55 6.287 0.178 -0.818 1.00 0.00 C ATOM 847 O ILE A 55 5.274 0.177 -0.118 1.00 0.00 O ATOM 848 CB ILE A 55 6.295 -2.279 -1.255 1.00 0.00 C ATOM 849 CG1 ILE A 55 7.158 -3.537 -1.376 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.504 -2.048 -2.534 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.430 -4.807 -0.993 1.00 0.00 C ATOM 0 H ILE A 55 7.404 -1.405 1.113 1.00 0.00 H new ATOM 0 HA ILE A 55 7.886 -0.909 -1.755 1.00 0.00 H new ATOM 0 HB ILE A 55 5.590 -2.421 -0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.514 -3.627 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.038 -3.427 -0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.886 -2.922 -2.743 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.866 -1.173 -2.414 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.192 -1.884 -3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.102 -5.659 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.098 -4.738 0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.565 -4.941 -1.643 1.00 0.00 H new ATOM 863 N PRO A 56 6.672 1.257 -1.515 1.00 0.00 N ATOM 864 CA PRO A 56 5.923 2.517 -1.503 1.00 0.00 C ATOM 865 C PRO A 56 4.586 2.404 -2.228 1.00 0.00 C ATOM 866 O PRO A 56 4.522 2.511 -3.453 1.00 0.00 O ATOM 867 CB PRO A 56 6.850 3.488 -2.238 1.00 0.00 C ATOM 868 CG PRO A 56 7.686 2.623 -3.116 1.00 0.00 C ATOM 869 CD PRO A 56 7.869 1.330 -2.371 1.00 0.00 C ATOM 0 HA PRO A 56 5.671 2.831 -0.490 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.282 4.213 -2.821 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.465 4.054 -1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.198 2.454 -4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.647 3.092 -3.325 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.930 0.480 -3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.785 1.332 -1.781 1.00 0.00 H new ATOM 877 N LEU A 57 3.521 2.187 -1.465 1.00 0.00 N ATOM 878 CA LEU A 57 2.184 2.060 -2.035 1.00 0.00 C ATOM 879 C LEU A 57 1.581 3.432 -2.319 1.00 0.00 C ATOM 880 O LEU A 57 0.399 3.668 -2.062 1.00 0.00 O ATOM 881 CB LEU A 57 1.276 1.277 -1.086 1.00 0.00 C ATOM 882 CG LEU A 57 1.360 -0.247 -1.181 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.331 -0.896 -0.268 1.00 0.00 C ATOM 884 CD2 LEU A 57 1.164 -0.703 -2.619 1.00 0.00 C ATOM 0 H LEU A 57 3.557 2.095 -0.450 1.00 0.00 H new ATOM 0 HA LEU A 57 2.267 1.518 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.513 1.571 -0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.245 1.576 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 57 2.352 -0.559 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.405 -1.980 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.518 -0.595 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.669 -0.578 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.227 -1.790 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.185 -0.380 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.940 -0.266 -3.248 1.00 0.00 H new ATOM 896 N LEU A 58 2.398 4.333 -2.852 1.00 0.00 N ATOM 897 CA LEU A 58 1.945 5.682 -3.174 1.00 0.00 C ATOM 898 C LEU A 58 1.472 5.767 -4.621 1.00 0.00 C ATOM 899 O LEU A 58 2.265 5.635 -5.553 1.00 0.00 O ATOM 900 CB LEU A 58 3.069 6.691 -2.932 1.00 0.00 C ATOM 901 CG LEU A 58 2.725 8.156 -3.200 1.00 0.00 C ATOM 902 CD1 LEU A 58 1.646 8.635 -2.242 1.00 0.00 C ATOM 903 CD2 LEU A 58 3.969 9.026 -3.084 1.00 0.00 C ATOM 0 H LEU A 58 3.378 4.154 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 58 1.105 5.921 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.396 6.599 -1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.917 6.417 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 58 2.342 8.239 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.414 9.680 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.748 8.031 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.001 8.537 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.705 10.066 -3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.382 8.938 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.711 8.698 -3.812 1.00 0.00 H new ATOM 915 N SER A 59 0.174 5.990 -4.802 1.00 0.00 N ATOM 916 CA SER A 59 -0.405 6.091 -6.137 1.00 0.00 C ATOM 917 C SER A 59 -0.272 4.770 -6.888 1.00 0.00 C ATOM 918 O SER A 59 0.005 4.751 -8.088 1.00 0.00 O ATOM 919 CB SER A 59 0.274 7.212 -6.927 1.00 0.00 C ATOM 920 OG SER A 59 -0.398 8.446 -6.743 1.00 0.00 O ATOM 0 H SER A 59 -0.496 6.104 -4.042 1.00 0.00 H new ATOM 0 HA SER A 59 -1.465 6.323 -6.030 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.312 7.309 -6.608 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.289 6.957 -7.987 1.00 0.00 H new ATOM 0 HG SER A 59 0.057 9.146 -7.257 1.00 0.00 H new ATOM 926 N PHE A 60 -0.472 3.668 -6.174 1.00 0.00 N ATOM 927 CA PHE A 60 -0.373 2.341 -6.772 1.00 0.00 C ATOM 928 C PHE A 60 -1.759 1.749 -7.011 1.00 0.00 C ATOM 929 O PHE A 60 -2.673 1.936 -6.209 1.00 0.00 O ATOM 930 CB PHE A 60 0.442 1.412 -5.870 1.00 0.00 C ATOM 931 CG PHE A 60 1.912 1.417 -6.179 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.676 2.552 -5.961 1.00 0.00 C ATOM 933 CD2 PHE A 60 2.531 0.285 -6.685 1.00 0.00 C ATOM 934 CE1 PHE A 60 4.028 2.559 -6.245 1.00 0.00 C ATOM 935 CE2 PHE A 60 3.884 0.286 -6.970 1.00 0.00 C ATOM 936 CZ PHE A 60 4.633 1.424 -6.749 1.00 0.00 C ATOM 0 H PHE A 60 -0.704 3.667 -5.181 1.00 0.00 H new ATOM 0 HA PHE A 60 0.133 2.439 -7.733 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.296 1.707 -4.831 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.061 0.396 -5.969 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.209 3.442 -5.564 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.950 -0.608 -6.859 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.612 3.451 -6.073 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.354 -0.602 -7.365 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.690 1.427 -6.970 1.00 0.00 H new ATOM 946 N ARG A 61 -1.906 1.033 -8.121 1.00 0.00 N ATOM 947 CA ARG A 61 -3.179 0.414 -8.469 1.00 0.00 C ATOM 948 C ARG A 61 -3.187 -1.064 -8.089 1.00 0.00 C ATOM 949 O ARG A 61 -2.471 -1.871 -8.682 1.00 0.00 O ATOM 950 CB ARG A 61 -3.454 0.569 -9.966 1.00 0.00 C ATOM 951 CG ARG A 61 -4.914 0.372 -10.340 1.00 0.00 C ATOM 952 CD ARG A 61 -5.169 0.728 -11.796 1.00 0.00 C ATOM 953 NE ARG A 61 -4.331 -0.051 -12.704 1.00 0.00 N ATOM 954 CZ ARG A 61 -4.443 -0.007 -14.027 1.00 0.00 C ATOM 955 NH1 ARG A 61 -5.354 0.773 -14.593 1.00 0.00 N ATOM 956 NH2 ARG A 61 -3.644 -0.746 -14.787 1.00 0.00 N ATOM 0 H ARG A 61 -1.159 0.867 -8.795 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.965 0.920 -7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.137 1.562 -10.284 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.847 -0.151 -10.515 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.199 -0.665 -10.162 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.542 0.990 -9.698 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.219 0.555 -12.033 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.979 1.790 -11.948 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.621 -0.662 -12.300 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.971 1.341 -14.012 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.438 0.805 -15.609 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.943 -1.348 -14.355 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.731 -0.711 -15.803 1.00 0.00 H new ATOM 970 N VAL A 62 -4.000 -1.411 -7.097 1.00 0.00 N ATOM 971 CA VAL A 62 -4.102 -2.791 -6.639 1.00 0.00 C ATOM 972 C VAL A 62 -5.413 -3.425 -7.090 1.00 0.00 C ATOM 973 O VAL A 62 -6.484 -2.842 -6.928 1.00 0.00 O ATOM 974 CB VAL A 62 -4.002 -2.882 -5.104 1.00 0.00 C ATOM 975 CG1 VAL A 62 -3.903 -4.333 -4.660 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.813 -2.079 -4.600 1.00 0.00 C ATOM 0 H VAL A 62 -4.598 -0.755 -6.595 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.268 -3.334 -7.083 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.908 -2.457 -4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.833 -4.377 -3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.789 -4.875 -4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.015 -4.788 -5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.757 -2.154 -3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.896 -2.473 -5.039 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.932 -1.034 -4.886 1.00 0.00 H new ATOM 986 N ALA A 63 -5.320 -4.623 -7.658 1.00 0.00 N ATOM 987 CA ALA A 63 -6.498 -5.338 -8.131 1.00 0.00 C ATOM 988 C ALA A 63 -6.135 -6.740 -8.609 1.00 0.00 C ATOM 989 O ALA A 63 -4.981 -7.015 -8.937 1.00 0.00 O ATOM 990 CB ALA A 63 -7.177 -4.557 -9.246 1.00 0.00 C ATOM 0 H ALA A 63 -4.440 -5.119 -7.802 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.192 -5.436 -7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.056 -5.103 -9.590 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.481 -3.579 -8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.482 -4.429 -10.076 1.00 0.00 H new ATOM 996 N ALA A 64 -7.127 -7.623 -8.647 1.00 0.00 N ATOM 997 CA ALA A 64 -6.912 -8.996 -9.086 1.00 0.00 C ATOM 998 C ALA A 64 -6.155 -9.036 -10.410 1.00 0.00 C ATOM 999 O ALA A 64 -6.360 -8.190 -11.280 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.242 -9.724 -9.215 1.00 0.00 C ATOM 0 H ALA A 64 -8.088 -7.412 -8.379 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.306 -9.501 -8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.066 -10.748 -9.544 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.746 -9.735 -8.249 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.868 -9.211 -9.945 1.00 0.00 H new ATOM 1006 N VAL A 65 -5.279 -10.025 -10.555 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.491 -10.176 -11.773 1.00 0.00 C ATOM 1008 C VAL A 65 -5.380 -10.519 -12.963 1.00 0.00 C ATOM 1009 O VAL A 65 -6.601 -10.603 -12.834 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.418 -11.269 -11.615 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.385 -10.858 -10.577 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.061 -12.597 -11.243 1.00 0.00 C ATOM 0 H VAL A 65 -5.097 -10.734 -9.844 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.000 -9.220 -11.954 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.908 -11.393 -12.570 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.635 -11.643 -10.479 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.903 -9.932 -10.891 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.876 -10.704 -9.616 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.288 -13.358 -11.135 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.598 -12.490 -10.301 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.758 -12.896 -12.026 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.758 -10.717 -14.121 1.00 0.00 N ATOM 1023 CA GLN A 66 -5.494 -11.051 -15.335 1.00 0.00 C ATOM 1024 C GLN A 66 -4.893 -12.276 -16.015 1.00 0.00 C ATOM 1025 O GLN A 66 -3.749 -12.658 -15.765 1.00 0.00 O ATOM 1026 CB GLN A 66 -5.491 -9.864 -16.301 1.00 0.00 C ATOM 1027 CG GLN A 66 -6.664 -8.918 -16.104 1.00 0.00 C ATOM 1028 CD GLN A 66 -6.936 -8.063 -17.326 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -6.734 -6.848 -17.306 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -7.397 -8.694 -18.400 1.00 0.00 N ATOM 0 H GLN A 66 -3.748 -10.652 -14.244 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.522 -11.281 -15.056 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.562 -9.308 -16.178 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.505 -10.239 -17.324 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.556 -9.497 -15.864 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.465 -8.271 -15.250 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.550 -9.702 -18.373 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -7.598 -8.170 -19.252 1.00 0.00 H new ATOM 1039 N PRO A 67 -5.681 -12.910 -16.897 1.00 0.00 N ATOM 1040 CA PRO A 67 -5.248 -14.102 -17.631 1.00 0.00 C ATOM 1041 C PRO A 67 -4.176 -13.786 -18.669 1.00 0.00 C ATOM 1042 O PRO A 67 -3.725 -14.669 -19.399 1.00 0.00 O ATOM 1043 CB PRO A 67 -6.530 -14.582 -18.317 1.00 0.00 C ATOM 1044 CG PRO A 67 -7.371 -13.359 -18.445 1.00 0.00 C ATOM 1045 CD PRO A 67 -7.055 -12.511 -17.244 1.00 0.00 C ATOM 0 HA PRO A 67 -4.797 -14.844 -16.972 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.317 -15.020 -19.292 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.032 -15.348 -17.726 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.146 -12.826 -19.369 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.430 -13.615 -18.474 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.118 -11.448 -17.475 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.748 -12.701 -16.424 1.00 0.00 H new ATOM 1053 N SER A 68 -3.770 -12.522 -18.728 1.00 0.00 N ATOM 1054 CA SER A 68 -2.753 -12.089 -19.678 1.00 0.00 C ATOM 1055 C SER A 68 -1.408 -11.894 -18.984 1.00 0.00 C ATOM 1056 O SER A 68 -0.372 -11.771 -19.637 1.00 0.00 O ATOM 1057 CB SER A 68 -3.181 -10.787 -20.359 1.00 0.00 C ATOM 1058 OG SER A 68 -2.563 -10.646 -21.626 1.00 0.00 O ATOM 0 H SER A 68 -4.130 -11.779 -18.129 1.00 0.00 H new ATOM 0 HA SER A 68 -2.643 -12.867 -20.433 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.265 -10.774 -20.476 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.918 -9.939 -19.727 1.00 0.00 H new ATOM 0 HG SER A 68 -2.854 -9.807 -22.041 1.00 0.00 H new ATOM 1064 N ASP A 69 -1.434 -11.868 -17.656 1.00 0.00 N ATOM 1065 CA ASP A 69 -0.218 -11.690 -16.871 1.00 0.00 C ATOM 1066 C ASP A 69 0.433 -13.035 -16.563 1.00 0.00 C ATOM 1067 O ASP A 69 1.214 -13.156 -15.621 1.00 0.00 O ATOM 1068 CB ASP A 69 -0.529 -10.950 -15.570 1.00 0.00 C ATOM 1069 CG ASP A 69 -0.660 -9.453 -15.771 1.00 0.00 C ATOM 1070 OD1 ASP A 69 0.292 -8.840 -16.299 1.00 0.00 O ATOM 1071 OD2 ASP A 69 -1.714 -8.895 -15.402 1.00 0.00 O ATOM 0 H ASP A 69 -2.284 -11.968 -17.101 1.00 0.00 H new ATOM 0 HA ASP A 69 0.481 -11.096 -17.460 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.455 -11.339 -15.147 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.261 -11.148 -14.845 1.00 0.00 H new ATOM 1076 N ASN A 70 0.103 -14.043 -17.364 1.00 0.00 N ATOM 1077 CA ASN A 70 0.653 -15.380 -17.176 1.00 0.00 C ATOM 1078 C ASN A 70 0.707 -15.743 -15.695 1.00 0.00 C ATOM 1079 O ASN A 70 1.714 -16.259 -15.209 1.00 0.00 O ATOM 1080 CB ASN A 70 2.054 -15.468 -17.786 1.00 0.00 C ATOM 1081 CG ASN A 70 3.034 -14.519 -17.123 1.00 0.00 C ATOM 1082 OD1 ASN A 70 3.487 -14.760 -16.004 1.00 0.00 O ATOM 1083 ND2 ASN A 70 3.364 -13.433 -17.812 1.00 0.00 N ATOM 0 H ASN A 70 -0.543 -13.959 -18.149 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.002 -16.090 -17.682 1.00 0.00 H new ATOM 0 HB2 ASN A 70 2.423 -16.489 -17.695 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.998 -15.243 -18.851 1.00 0.00 H new ATOM 0 HD21 ASN A 70 4.018 -12.757 -17.417 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.963 -13.274 -18.737 1.00 0.00 H new ATOM 1090 N ILE A 71 -0.381 -15.470 -14.985 1.00 0.00 N ATOM 1091 CA ILE A 71 -0.458 -15.769 -13.560 1.00 0.00 C ATOM 1092 C ILE A 71 -1.263 -17.039 -13.308 1.00 0.00 C ATOM 1093 O ILE A 71 -2.466 -16.984 -13.050 1.00 0.00 O ATOM 1094 CB ILE A 71 -1.095 -14.607 -12.775 1.00 0.00 C ATOM 1095 CG1 ILE A 71 -0.156 -13.399 -12.759 1.00 0.00 C ATOM 1096 CG2 ILE A 71 -1.427 -15.046 -11.356 1.00 0.00 C ATOM 1097 CD1 ILE A 71 1.266 -13.744 -12.378 1.00 0.00 C ATOM 0 H ILE A 71 -1.222 -15.042 -15.372 1.00 0.00 H new ATOM 0 HA ILE A 71 0.565 -15.915 -13.212 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.021 -14.317 -13.271 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.157 -12.935 -13.745 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.542 -12.658 -12.058 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.876 -14.214 -10.814 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.128 -15.880 -11.388 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.514 -15.359 -10.849 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.875 -12.840 -12.387 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.279 -14.180 -11.379 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.670 -14.461 -13.092 1.00 0.00 H new ATOM 1109 N SER A 72 -0.591 -18.183 -13.382 1.00 0.00 N ATOM 1110 CA SER A 72 -1.244 -19.469 -13.164 1.00 0.00 C ATOM 1111 C SER A 72 -1.469 -19.718 -11.675 1.00 0.00 C ATOM 1112 O SER A 72 -1.063 -20.749 -11.139 1.00 0.00 O ATOM 1113 CB SER A 72 -0.403 -20.600 -13.760 1.00 0.00 C ATOM 1114 OG SER A 72 -0.640 -20.733 -15.151 1.00 0.00 O ATOM 0 H SER A 72 0.405 -18.246 -13.591 1.00 0.00 H new ATOM 0 HA SER A 72 -2.213 -19.445 -13.662 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.655 -20.402 -13.585 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.639 -21.537 -13.256 1.00 0.00 H new ATOM 0 HG SER A 72 -0.090 -21.461 -15.508 1.00 0.00 H new ATOM 1120 N ARG A 73 -2.119 -18.766 -11.014 1.00 0.00 N ATOM 1121 CA ARG A 73 -2.398 -18.880 -9.588 1.00 0.00 C ATOM 1122 C ARG A 73 -3.664 -18.112 -9.218 1.00 0.00 C ATOM 1123 O ARG A 73 -3.793 -16.925 -9.519 1.00 0.00 O ATOM 1124 CB ARG A 73 -1.215 -18.357 -8.772 1.00 0.00 C ATOM 1125 CG ARG A 73 0.004 -19.264 -8.816 1.00 0.00 C ATOM 1126 CD ARG A 73 0.930 -19.011 -7.636 1.00 0.00 C ATOM 1127 NE ARG A 73 0.572 -19.822 -6.475 1.00 0.00 N ATOM 1128 CZ ARG A 73 0.980 -21.073 -6.299 1.00 0.00 C ATOM 1129 NH1 ARG A 73 1.757 -21.654 -7.204 1.00 0.00 N ATOM 1130 NH2 ARG A 73 0.612 -21.747 -5.217 1.00 0.00 N ATOM 0 H ARG A 73 -2.462 -17.907 -11.444 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.553 -19.934 -9.357 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.937 -17.370 -9.143 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.527 -18.232 -7.735 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.316 -20.306 -8.812 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.547 -19.101 -9.747 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.957 -19.230 -7.928 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.893 -17.956 -7.366 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.024 -19.404 -5.760 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.042 -21.139 -8.037 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.069 -22.615 -7.067 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.015 -21.304 -4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.926 -22.708 -5.083 1.00 0.00 H new ATOM 1144 N LYS A 74 -4.596 -18.798 -8.565 1.00 0.00 N ATOM 1145 CA LYS A 74 -5.852 -18.182 -8.153 1.00 0.00 C ATOM 1146 C LYS A 74 -5.627 -17.206 -7.002 1.00 0.00 C ATOM 1147 O LYS A 74 -4.520 -17.097 -6.474 1.00 0.00 O ATOM 1148 CB LYS A 74 -6.858 -19.257 -7.736 1.00 0.00 C ATOM 1149 CG LYS A 74 -7.506 -19.972 -8.909 1.00 0.00 C ATOM 1150 CD LYS A 74 -8.896 -20.474 -8.556 1.00 0.00 C ATOM 1151 CE LYS A 74 -8.834 -21.708 -7.669 1.00 0.00 C ATOM 1152 NZ LYS A 74 -10.060 -21.853 -6.835 1.00 0.00 N ATOM 0 H LYS A 74 -4.505 -19.781 -8.310 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.253 -17.628 -9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.353 -19.991 -7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.636 -18.798 -7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.568 -19.294 -9.760 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.882 -20.811 -9.215 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.450 -19.686 -8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.442 -20.708 -9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.710 -22.596 -8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.959 -21.646 -7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.979 -22.705 -6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.165 -21.018 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.892 -21.937 -7.453 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.685 -16.500 -6.617 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.603 -15.534 -5.526 1.00 0.00 C ATOM 1168 C HIS A 75 -5.285 -14.768 -5.576 1.00 0.00 C ATOM 1169 O HIS A 75 -4.627 -14.574 -4.553 1.00 0.00 O ATOM 1170 CB HIS A 75 -6.744 -16.242 -4.178 1.00 0.00 C ATOM 1171 CG HIS A 75 -7.701 -17.394 -4.204 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -8.939 -17.331 -4.808 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.595 -18.645 -3.697 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.554 -18.492 -4.670 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.759 -19.307 -4.000 1.00 0.00 N ATOM 0 H HIS A 75 -7.608 -16.578 -7.043 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.421 -14.823 -5.642 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.765 -16.601 -3.861 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.076 -15.521 -3.431 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.752 -19.047 -3.155 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.539 -18.734 -5.042 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.975 -20.272 -3.749 1.00 0.00 H new ATOM 1184 N THR A 76 -4.903 -14.335 -6.774 1.00 0.00 N ATOM 1185 CA THR A 76 -3.662 -13.592 -6.958 1.00 0.00 C ATOM 1186 C THR A 76 -3.935 -12.188 -7.485 1.00 0.00 C ATOM 1187 O THR A 76 -4.656 -12.012 -8.467 1.00 0.00 O ATOM 1188 CB THR A 76 -2.712 -14.317 -7.929 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.712 -15.723 -7.657 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.297 -13.772 -7.810 1.00 0.00 C ATOM 0 H THR A 76 -5.435 -14.486 -7.631 1.00 0.00 H new ATOM 0 HA THR A 76 -3.186 -13.524 -5.980 1.00 0.00 H new ATOM 0 HB THR A 76 -3.066 -14.144 -8.945 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.561 -16.113 -7.952 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.644 -14.300 -8.505 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.296 -12.708 -8.047 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.936 -13.917 -6.792 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.354 -11.190 -6.827 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.535 -9.801 -7.229 1.00 0.00 C ATOM 1200 C PHE A 77 -2.195 -9.152 -7.561 1.00 0.00 C ATOM 1201 O PHE A 77 -1.140 -9.629 -7.143 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.235 -9.013 -6.120 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.637 -9.232 -4.760 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -3.978 -10.346 -4.010 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.733 -8.324 -4.232 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.428 -10.551 -2.758 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.181 -8.524 -2.981 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.529 -9.638 -2.243 1.00 0.00 C ATOM 0 H PHE A 77 -2.754 -11.318 -6.013 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.158 -9.787 -8.124 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.194 -7.950 -6.359 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.288 -9.294 -6.095 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.681 -11.062 -4.408 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.457 -7.451 -4.804 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.701 -11.424 -2.184 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.477 -7.809 -2.581 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.099 -9.795 -1.265 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.244 -8.060 -8.317 1.00 0.00 N ATOM 1219 CA LYS A 78 -1.036 -7.343 -8.706 1.00 0.00 C ATOM 1220 C LYS A 78 -1.129 -5.870 -8.321 1.00 0.00 C ATOM 1221 O LYS A 78 -2.211 -5.283 -8.335 1.00 0.00 O ATOM 1222 CB LYS A 78 -0.803 -7.473 -10.213 1.00 0.00 C ATOM 1223 CG LYS A 78 -1.881 -6.812 -11.054 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.355 -6.415 -12.423 1.00 0.00 C ATOM 1225 CE LYS A 78 -2.398 -5.646 -13.220 1.00 0.00 C ATOM 1226 NZ LYS A 78 -1.895 -5.263 -14.568 1.00 0.00 N ATOM 0 H LYS A 78 -3.109 -7.652 -8.673 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.194 -7.787 -8.175 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.162 -7.032 -10.462 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.747 -8.530 -10.474 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.723 -7.495 -11.171 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.256 -5.929 -10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.461 -5.803 -12.307 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.061 -7.308 -12.974 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.295 -6.256 -13.327 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.686 -4.749 -12.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.635 -4.741 -15.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.054 -4.660 -14.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.645 -6.120 -15.101 1.00 0.00 H new ATOM 1240 N ALA A 79 0.011 -5.279 -7.979 1.00 0.00 N ATOM 1241 CA ALA A 79 0.058 -3.874 -7.595 1.00 0.00 C ATOM 1242 C ALA A 79 0.988 -3.084 -8.509 1.00 0.00 C ATOM 1243 O ALA A 79 2.209 -3.218 -8.431 1.00 0.00 O ATOM 1244 CB ALA A 79 0.499 -3.738 -6.145 1.00 0.00 C ATOM 0 H ALA A 79 0.915 -5.752 -7.960 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.946 -3.462 -7.699 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.530 -2.683 -5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.207 -4.260 -5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.491 -4.173 -6.024 1.00 0.00 H new ATOM 1250 N GLU A 80 0.403 -2.262 -9.375 1.00 0.00 N ATOM 1251 CA GLU A 80 1.182 -1.453 -10.305 1.00 0.00 C ATOM 1252 C GLU A 80 0.715 -0.001 -10.284 1.00 0.00 C ATOM 1253 O GLU A 80 -0.484 0.278 -10.270 1.00 0.00 O ATOM 1254 CB GLU A 80 1.070 -2.017 -11.723 1.00 0.00 C ATOM 1255 CG GLU A 80 2.001 -1.347 -12.719 1.00 0.00 C ATOM 1256 CD GLU A 80 1.744 -1.789 -14.147 1.00 0.00 C ATOM 1257 OE1 GLU A 80 1.210 -2.902 -14.337 1.00 0.00 O ATOM 1258 OE2 GLU A 80 2.076 -1.021 -15.074 1.00 0.00 O ATOM 0 H GLU A 80 -0.607 -2.139 -9.452 1.00 0.00 H new ATOM 0 HA GLU A 80 2.225 -1.486 -9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.286 -3.085 -11.698 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.042 -1.907 -12.069 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.883 -0.266 -12.651 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.034 -1.572 -12.453 1.00 0.00 H new ATOM 1265 N HIS A 81 1.672 0.922 -10.283 1.00 0.00 N ATOM 1266 CA HIS A 81 1.361 2.347 -10.264 1.00 0.00 C ATOM 1267 C HIS A 81 1.442 2.939 -11.667 1.00 0.00 C ATOM 1268 O HIS A 81 0.420 3.219 -12.293 1.00 0.00 O ATOM 1269 CB HIS A 81 2.317 3.088 -9.329 1.00 0.00 C ATOM 1270 CG HIS A 81 2.443 4.548 -9.635 1.00 0.00 C ATOM 1271 ND1 HIS A 81 3.564 5.288 -9.324 1.00 0.00 N ATOM 1272 CD2 HIS A 81 1.581 5.406 -10.231 1.00 0.00 C ATOM 1273 CE1 HIS A 81 3.386 6.538 -9.713 1.00 0.00 C ATOM 1274 NE2 HIS A 81 2.191 6.636 -10.267 1.00 0.00 N ATOM 0 H HIS A 81 2.669 0.708 -10.295 1.00 0.00 H new ATOM 0 HA HIS A 81 0.342 2.466 -9.897 1.00 0.00 H new ATOM 0 HB2 HIS A 81 1.972 2.969 -8.302 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.302 2.626 -9.390 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.597 5.167 -10.608 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.097 7.343 -9.598 1.00 0.00 H new ATOM 0 HE2 HIS A 81 1.787 7.487 -10.658 1.00 0.00 H new ATOM 1283 N ALA A 82 2.664 3.128 -12.155 1.00 0.00 N ATOM 1284 CA ALA A 82 2.878 3.686 -13.484 1.00 0.00 C ATOM 1285 C ALA A 82 4.308 3.444 -13.957 1.00 0.00 C ATOM 1286 O ALA A 82 5.244 4.091 -13.490 1.00 0.00 O ATOM 1287 CB ALA A 82 2.563 5.175 -13.489 1.00 0.00 C ATOM 0 H ALA A 82 3.521 2.903 -11.649 1.00 0.00 H new ATOM 0 HA ALA A 82 2.204 3.181 -14.176 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.727 5.578 -14.488 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.522 5.328 -13.203 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.213 5.687 -12.780 1.00 0.00 H new ATOM 1293 N GLY A 83 4.468 2.508 -14.888 1.00 0.00 N ATOM 1294 CA GLY A 83 5.787 2.197 -15.407 1.00 0.00 C ATOM 1295 C GLY A 83 6.871 2.333 -14.357 1.00 0.00 C ATOM 1296 O GLY A 83 7.938 2.886 -14.623 1.00 0.00 O ATOM 0 H GLY A 83 3.708 1.960 -15.292 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.790 1.179 -15.797 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.010 2.860 -16.243 1.00 0.00 H new ATOM 1300 N VAL A 84 6.598 1.827 -13.158 1.00 0.00 N ATOM 1301 CA VAL A 84 7.558 1.895 -12.063 1.00 0.00 C ATOM 1302 C VAL A 84 7.912 0.502 -11.556 1.00 0.00 C ATOM 1303 O VAL A 84 9.087 0.154 -11.437 1.00 0.00 O ATOM 1304 CB VAL A 84 7.014 2.733 -10.890 1.00 0.00 C ATOM 1305 CG1 VAL A 84 5.737 2.116 -10.340 1.00 0.00 C ATOM 1306 CG2 VAL A 84 8.065 2.867 -9.799 1.00 0.00 C ATOM 0 H VAL A 84 5.720 1.366 -12.921 1.00 0.00 H new ATOM 0 HA VAL A 84 8.454 2.374 -12.457 1.00 0.00 H new ATOM 0 HB VAL A 84 6.777 3.731 -11.258 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.368 2.721 -9.512 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.983 2.078 -11.126 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.944 1.106 -9.987 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.664 3.462 -8.978 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.336 1.877 -9.431 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.950 3.358 -10.204 1.00 0.00 H new ATOM 1316 N ARG A 85 6.888 -0.292 -11.258 1.00 0.00 N ATOM 1317 CA ARG A 85 7.091 -1.648 -10.763 1.00 0.00 C ATOM 1318 C ARG A 85 5.772 -2.412 -10.715 1.00 0.00 C ATOM 1319 O ARG A 85 4.705 -1.822 -10.542 1.00 0.00 O ATOM 1320 CB ARG A 85 7.726 -1.616 -9.372 1.00 0.00 C ATOM 1321 CG ARG A 85 8.490 -2.882 -9.021 1.00 0.00 C ATOM 1322 CD ARG A 85 9.637 -2.594 -8.066 1.00 0.00 C ATOM 1323 NE ARG A 85 10.628 -1.697 -8.654 1.00 0.00 N ATOM 1324 CZ ARG A 85 11.850 -1.527 -8.162 1.00 0.00 C ATOM 1325 NH1 ARG A 85 12.230 -2.191 -7.079 1.00 0.00 N ATOM 1326 NH2 ARG A 85 12.696 -0.693 -8.755 1.00 0.00 N ATOM 0 H ARG A 85 5.910 -0.019 -11.351 1.00 0.00 H new ATOM 0 HA ARG A 85 7.764 -2.162 -11.450 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.404 -0.764 -9.311 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.945 -1.456 -8.629 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.811 -3.604 -8.568 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.879 -3.338 -9.932 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.244 -2.150 -7.151 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.118 -3.531 -7.785 1.00 0.00 H new ATOM 0 HE ARG A 85 10.367 -1.172 -9.489 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.583 -2.834 -6.622 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.169 -2.059 -6.703 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.408 -0.182 -9.589 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.634 -0.563 -8.376 1.00 0.00 H new ATOM 1340 N THR A 86 5.851 -3.731 -10.868 1.00 0.00 N ATOM 1341 CA THR A 86 4.664 -4.576 -10.843 1.00 0.00 C ATOM 1342 C THR A 86 4.832 -5.731 -9.863 1.00 0.00 C ATOM 1343 O THR A 86 5.485 -6.728 -10.169 1.00 0.00 O ATOM 1344 CB THR A 86 4.351 -5.145 -12.240 1.00 0.00 C ATOM 1345 OG1 THR A 86 4.391 -4.098 -13.216 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.983 -5.810 -12.259 1.00 0.00 C ATOM 0 H THR A 86 6.725 -4.237 -11.011 1.00 0.00 H new ATOM 0 HA THR A 86 3.835 -3.947 -10.520 1.00 0.00 H new ATOM 0 HB THR A 86 5.106 -5.894 -12.480 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.193 -4.468 -14.101 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.784 -6.204 -13.256 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.965 -6.625 -11.536 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.219 -5.078 -11.999 1.00 0.00 H new ATOM 1354 N TYR A 87 4.238 -5.590 -8.683 1.00 0.00 N ATOM 1355 CA TYR A 87 4.323 -6.621 -7.656 1.00 0.00 C ATOM 1356 C TYR A 87 3.237 -7.675 -7.851 1.00 0.00 C ATOM 1357 O TYR A 87 2.234 -7.433 -8.523 1.00 0.00 O ATOM 1358 CB TYR A 87 4.199 -5.997 -6.265 1.00 0.00 C ATOM 1359 CG TYR A 87 5.263 -4.965 -5.968 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.068 -3.626 -6.285 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.464 -5.329 -5.371 1.00 0.00 C ATOM 1362 CE1 TYR A 87 6.038 -2.680 -6.016 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.439 -4.389 -5.097 1.00 0.00 C ATOM 1364 CZ TYR A 87 7.221 -3.066 -5.421 1.00 0.00 C ATOM 1365 OH TYR A 87 8.190 -2.127 -5.151 1.00 0.00 O ATOM 0 H TYR A 87 3.692 -4.771 -8.414 1.00 0.00 H new ATOM 0 HA TYR A 87 5.295 -7.106 -7.744 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.218 -5.532 -6.170 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.251 -6.787 -5.516 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.142 -3.320 -6.750 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.638 -6.364 -5.117 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.871 -1.644 -6.270 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.367 -4.688 -4.632 1.00 0.00 H new ATOM 0 HH TYR A 87 8.960 -2.563 -4.730 1.00 0.00 H new ATOM 1375 N PHE A 88 3.445 -8.846 -7.258 1.00 0.00 N ATOM 1376 CA PHE A 88 2.485 -9.939 -7.366 1.00 0.00 C ATOM 1377 C PHE A 88 2.385 -10.706 -6.051 1.00 0.00 C ATOM 1378 O PHE A 88 3.398 -11.034 -5.432 1.00 0.00 O ATOM 1379 CB PHE A 88 2.887 -10.890 -8.495 1.00 0.00 C ATOM 1380 CG PHE A 88 2.722 -10.297 -9.865 1.00 0.00 C ATOM 1381 CD1 PHE A 88 3.755 -9.588 -10.457 1.00 0.00 C ATOM 1382 CD2 PHE A 88 1.534 -10.449 -10.561 1.00 0.00 C ATOM 1383 CE1 PHE A 88 3.605 -9.041 -11.717 1.00 0.00 C ATOM 1384 CE2 PHE A 88 1.378 -9.905 -11.822 1.00 0.00 C ATOM 1385 CZ PHE A 88 2.415 -9.200 -12.401 1.00 0.00 C ATOM 0 H PHE A 88 4.269 -9.063 -6.698 1.00 0.00 H new ATOM 0 HA PHE A 88 1.508 -9.511 -7.592 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.928 -11.184 -8.358 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.287 -11.797 -8.426 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.688 -9.462 -9.928 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.720 -10.999 -10.113 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.417 -8.490 -12.167 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.447 -10.031 -12.354 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.296 -8.774 -13.386 1.00 0.00 H new ATOM 1395 N PHE A 89 1.157 -10.989 -5.630 1.00 0.00 N ATOM 1396 CA PHE A 89 0.923 -11.717 -4.388 1.00 0.00 C ATOM 1397 C PHE A 89 -0.180 -12.756 -4.565 1.00 0.00 C ATOM 1398 O PHE A 89 -1.181 -12.506 -5.237 1.00 0.00 O ATOM 1399 CB PHE A 89 0.548 -10.746 -3.266 1.00 0.00 C ATOM 1400 CG PHE A 89 1.455 -9.552 -3.179 1.00 0.00 C ATOM 1401 CD1 PHE A 89 2.742 -9.678 -2.681 1.00 0.00 C ATOM 1402 CD2 PHE A 89 1.021 -8.303 -3.595 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.578 -8.580 -2.599 1.00 0.00 C ATOM 1404 CE2 PHE A 89 1.852 -7.202 -3.515 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.133 -7.341 -3.018 1.00 0.00 C ATOM 0 H PHE A 89 0.308 -10.725 -6.131 1.00 0.00 H new ATOM 0 HA PHE A 89 1.845 -12.234 -4.120 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.476 -10.404 -3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.568 -11.277 -2.315 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.096 -10.644 -2.353 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.021 -8.189 -3.987 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.578 -8.691 -2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.500 -6.234 -3.841 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.786 -6.483 -2.957 1.00 0.00 H new ATOM 1415 N SER A 90 0.012 -13.923 -3.959 1.00 0.00 N ATOM 1416 CA SER A 90 -0.963 -15.003 -4.054 1.00 0.00 C ATOM 1417 C SER A 90 -1.502 -15.371 -2.675 1.00 0.00 C ATOM 1418 O SER A 90 -0.800 -15.973 -1.862 1.00 0.00 O ATOM 1419 CB SER A 90 -0.333 -16.232 -4.712 1.00 0.00 C ATOM 1420 OG SER A 90 -1.171 -17.367 -4.582 1.00 0.00 O ATOM 0 H SER A 90 0.834 -14.145 -3.397 1.00 0.00 H new ATOM 0 HA SER A 90 -1.793 -14.656 -4.669 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.151 -16.030 -5.767 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.635 -16.437 -4.255 1.00 0.00 H new ATOM 0 HG SER A 90 -0.649 -18.121 -4.238 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.753 -15.003 -2.418 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.387 -15.295 -1.139 1.00 0.00 C ATOM 1428 C ALA A 91 -3.844 -16.749 -1.072 1.00 0.00 C ATOM 1429 O ALA A 91 -4.521 -17.238 -1.976 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.564 -14.359 -0.907 1.00 0.00 C ATOM 0 H ALA A 91 -3.347 -14.502 -3.079 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.650 -15.136 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.028 -14.589 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.213 -13.327 -0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.296 -14.490 -1.704 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.470 -17.433 0.005 1.00 0.00 N ATOM 1437 CA GLU A 92 -3.840 -18.831 0.187 1.00 0.00 C ATOM 1438 C GLU A 92 -5.343 -19.024 0.006 1.00 0.00 C ATOM 1439 O GLU A 92 -5.784 -19.959 -0.663 1.00 0.00 O ATOM 1440 CB GLU A 92 -3.417 -19.317 1.575 1.00 0.00 C ATOM 1441 CG GLU A 92 -1.921 -19.227 1.822 1.00 0.00 C ATOM 1442 CD GLU A 92 -1.431 -20.252 2.826 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -1.571 -20.003 4.042 1.00 0.00 O ATOM 1444 OE2 GLU A 92 -0.909 -21.302 2.397 1.00 0.00 O ATOM 0 H GLU A 92 -2.912 -17.042 0.764 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.321 -19.419 -0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.937 -18.729 2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.736 -20.352 1.701 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.392 -19.366 0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.676 -18.227 2.180 1.00 0.00 H new ATOM 1451 N SER A 93 -6.125 -18.133 0.607 1.00 0.00 N ATOM 1452 CA SER A 93 -7.579 -18.206 0.516 1.00 0.00 C ATOM 1453 C SER A 93 -8.132 -17.035 -0.291 1.00 0.00 C ATOM 1454 O SER A 93 -7.501 -15.987 -0.424 1.00 0.00 O ATOM 1455 CB SER A 93 -8.199 -18.215 1.914 1.00 0.00 C ATOM 1456 OG SER A 93 -8.232 -19.527 2.449 1.00 0.00 O ATOM 0 H SER A 93 -5.776 -17.352 1.162 1.00 0.00 H new ATOM 0 HA SER A 93 -7.840 -19.133 0.005 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.625 -17.564 2.574 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.211 -17.812 1.869 1.00 0.00 H new ATOM 0 HG SER A 93 -8.631 -19.505 3.344 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.341 -17.217 -0.843 1.00 0.00 N ATOM 1463 CA PRO A 94 -10.008 -16.188 -1.646 1.00 0.00 C ATOM 1464 C PRO A 94 -10.462 -15.000 -0.804 1.00 0.00 C ATOM 1465 O PRO A 94 -10.455 -13.861 -1.268 1.00 0.00 O ATOM 1466 CB PRO A 94 -11.216 -16.922 -2.231 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.489 -18.029 -1.272 1.00 0.00 C ATOM 1468 CD PRO A 94 -10.150 -18.442 -0.725 1.00 0.00 C ATOM 0 HA PRO A 94 -9.344 -15.765 -2.400 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.075 -16.258 -2.324 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -11.001 -17.306 -3.228 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.152 -17.698 -0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.982 -18.864 -1.770 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -10.224 -18.776 0.310 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.719 -19.265 -1.296 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.857 -15.276 0.435 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.316 -14.229 1.340 1.00 0.00 C ATOM 1478 C GLU A 95 -10.200 -13.225 1.621 1.00 0.00 C ATOM 1479 O GLU A 95 -10.457 -12.042 1.841 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.809 -14.839 2.654 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.756 -15.661 3.377 1.00 0.00 C ATOM 1482 CD GLU A 95 -11.107 -15.912 4.830 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -12.234 -16.382 5.095 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -10.257 -15.639 5.703 1.00 0.00 O ATOM 0 H GLU A 95 -10.868 -16.214 0.834 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.142 -13.705 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.147 -14.038 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.674 -15.471 2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.633 -16.616 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.797 -15.145 3.323 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.962 -13.708 1.612 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.808 -12.854 1.866 1.00 0.00 C ATOM 1493 C GLU A 96 -7.502 -11.977 0.655 1.00 0.00 C ATOM 1494 O GLU A 96 -7.314 -10.768 0.784 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.584 -13.703 2.217 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.447 -13.988 3.704 1.00 0.00 C ATOM 1497 CD GLU A 96 -5.634 -15.236 3.986 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -6.127 -16.345 3.691 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -4.505 -15.104 4.502 1.00 0.00 O ATOM 0 H GLU A 96 -8.732 -14.685 1.432 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.047 -12.207 2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.642 -14.649 1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.686 -13.192 1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.976 -13.134 4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.439 -14.098 4.142 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.452 -12.598 -0.519 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.168 -11.874 -1.753 1.00 0.00 C ATOM 1508 C GLN A 97 -7.927 -10.553 -1.797 1.00 0.00 C ATOM 1509 O GLN A 97 -7.325 -9.480 -1.774 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.538 -12.729 -2.967 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.418 -11.990 -4.290 1.00 0.00 C ATOM 1512 CD GLN A 97 -8.375 -12.516 -5.341 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -9.407 -13.107 -5.018 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -8.039 -12.305 -6.608 1.00 0.00 N ATOM 0 H GLN A 97 -7.604 -13.599 -0.642 1.00 0.00 H new ATOM 0 HA GLN A 97 -6.100 -11.659 -1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.894 -13.608 -2.992 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.561 -13.086 -2.851 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.610 -10.929 -4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.396 -12.077 -4.659 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.175 -11.811 -6.831 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.645 -12.637 -7.358 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.252 -10.639 -1.860 1.00 0.00 N ATOM 1524 CA GLU A 98 -10.093 -9.448 -1.908 1.00 0.00 C ATOM 1525 C GLU A 98 -9.763 -8.502 -0.757 1.00 0.00 C ATOM 1526 O GLU A 98 -9.574 -7.303 -0.960 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.572 -9.838 -1.854 1.00 0.00 C ATOM 1528 CG GLU A 98 -12.011 -10.719 -3.011 1.00 0.00 C ATOM 1529 CD GLU A 98 -13.450 -11.179 -2.880 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -14.337 -10.316 -2.718 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -13.688 -12.404 -2.940 1.00 0.00 O ATOM 0 H GLU A 98 -9.766 -11.520 -1.879 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.895 -8.932 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.768 -10.359 -0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.178 -8.932 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.892 -10.171 -3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.359 -11.590 -3.067 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.696 -9.051 0.451 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.387 -8.257 1.635 1.00 0.00 C ATOM 1540 C ALA A 99 -8.145 -7.401 1.413 1.00 0.00 C ATOM 1541 O ALA A 99 -8.134 -6.212 1.734 1.00 0.00 O ATOM 1542 CB ALA A 99 -9.198 -9.163 2.843 1.00 0.00 C ATOM 0 H ALA A 99 -9.851 -10.042 0.636 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.227 -7.589 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.968 -8.557 3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.114 -9.727 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.377 -9.855 2.654 1.00 0.00 H new ATOM 1548 N TRP A 100 -7.102 -8.012 0.864 1.00 0.00 N ATOM 1549 CA TRP A 100 -5.854 -7.305 0.600 1.00 0.00 C ATOM 1550 C TRP A 100 -6.046 -6.246 -0.480 1.00 0.00 C ATOM 1551 O TRP A 100 -5.806 -5.061 -0.250 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.764 -8.291 0.178 1.00 0.00 C ATOM 1553 CG TRP A 100 -4.059 -8.930 1.336 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.302 -10.166 1.863 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -2.998 -8.362 2.112 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.456 -10.402 2.919 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.645 -9.311 3.092 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.311 -7.146 2.074 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.637 -9.079 4.024 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.310 -6.917 2.999 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -0.980 -7.880 3.963 1.00 0.00 C ATOM 0 H TRP A 100 -7.095 -8.995 0.593 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.546 -6.807 1.519 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.209 -9.070 -0.442 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.033 -7.770 -0.440 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -5.050 -10.857 1.502 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.435 -11.252 3.483 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.558 -6.398 1.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.383 -9.819 4.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.773 -5.980 2.979 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.192 -7.672 4.671 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.478 -6.682 -1.659 1.00 0.00 N ATOM 1573 CA ILE A 101 -6.703 -5.771 -2.774 1.00 0.00 C ATOM 1574 C ILE A 101 -7.323 -4.461 -2.297 1.00 0.00 C ATOM 1575 O ILE A 101 -7.038 -3.395 -2.842 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.619 -6.401 -3.840 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -6.901 -7.555 -4.543 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -8.058 -5.350 -4.849 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -7.839 -8.523 -5.229 1.00 0.00 C ATOM 0 H ILE A 101 -6.679 -7.660 -1.866 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.728 -5.569 -3.218 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.507 -6.797 -3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.210 -7.147 -5.281 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.302 -8.098 -3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.705 -5.810 -5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.603 -4.558 -4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.181 -4.928 -5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.260 -9.314 -5.706 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.513 -8.960 -4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.420 -7.993 -5.984 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.170 -4.551 -1.277 1.00 0.00 N ATOM 1592 CA GLN A 102 -8.829 -3.372 -0.726 1.00 0.00 C ATOM 1593 C GLN A 102 -7.977 -2.733 0.366 1.00 0.00 C ATOM 1594 O GLN A 102 -7.781 -1.518 0.381 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.202 -3.745 -0.166 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.099 -4.449 -1.172 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.571 -4.178 -0.931 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -13.093 -3.133 -1.319 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.249 -5.121 -0.287 1.00 0.00 N ATOM 0 H GLN A 102 -8.416 -5.427 -0.816 1.00 0.00 H new ATOM 0 HA GLN A 102 -8.957 -2.648 -1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.068 -4.390 0.702 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.701 -2.841 0.183 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -10.834 -4.125 -2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -10.919 -5.523 -1.125 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -12.776 -5.972 0.017 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.243 -4.994 -0.096 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.475 -3.559 1.278 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.644 -3.074 2.372 1.00 0.00 C ATOM 1610 C ALA A 103 -5.480 -2.239 1.850 1.00 0.00 C ATOM 1611 O ALA A 103 -5.367 -1.053 2.158 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.128 -4.242 3.201 1.00 0.00 C ATOM 0 H ALA A 103 -7.630 -4.567 1.281 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.259 -2.435 3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.509 -3.865 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.971 -4.796 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.534 -4.902 2.569 1.00 0.00 H new ATOM 1618 N MET A 104 -4.617 -2.866 1.057 1.00 0.00 N ATOM 1619 CA MET A 104 -3.462 -2.180 0.491 1.00 0.00 C ATOM 1620 C MET A 104 -3.878 -1.276 -0.664 1.00 0.00 C ATOM 1621 O MET A 104 -3.169 -0.334 -1.015 1.00 0.00 O ATOM 1622 CB MET A 104 -2.423 -3.195 0.011 1.00 0.00 C ATOM 1623 CG MET A 104 -2.844 -3.950 -1.239 1.00 0.00 C ATOM 1624 SD MET A 104 -1.438 -4.550 -2.196 1.00 0.00 S ATOM 1625 CE MET A 104 -0.538 -5.458 -0.941 1.00 0.00 C ATOM 0 H MET A 104 -4.696 -3.848 0.792 1.00 0.00 H new ATOM 0 HA MET A 104 -3.021 -1.561 1.272 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.485 -2.677 -0.186 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.230 -3.911 0.810 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.472 -4.795 -0.954 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.453 -3.297 -1.865 1.00 0.00 H new ATOM 0 HE1 MET A 104 0.370 -5.876 -1.375 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.274 -4.786 -0.124 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.162 -6.266 -0.559 1.00 0.00 H new ATOM 1635 N GLY A 105 -5.034 -1.570 -1.253 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.525 -0.774 -2.363 1.00 0.00 C ATOM 1637 C GLY A 105 -5.935 0.622 -1.939 1.00 0.00 C ATOM 1638 O GLY A 105 -5.583 1.604 -2.592 1.00 0.00 O ATOM 0 H GLY A 105 -5.639 -2.345 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.751 -0.705 -3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.378 -1.277 -2.818 1.00 0.00 H new ATOM 1642 N GLU A 106 -6.683 0.710 -0.844 1.00 0.00 N ATOM 1643 CA GLU A 106 -7.144 1.997 -0.336 1.00 0.00 C ATOM 1644 C GLU A 106 -5.963 2.889 0.036 1.00 0.00 C ATOM 1645 O GLU A 106 -5.955 4.083 -0.263 1.00 0.00 O ATOM 1646 CB GLU A 106 -8.049 1.796 0.881 1.00 0.00 C ATOM 1647 CG GLU A 106 -7.294 1.743 2.199 1.00 0.00 C ATOM 1648 CD GLU A 106 -8.217 1.621 3.396 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -9.288 2.263 3.386 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -7.869 0.885 4.342 1.00 0.00 O ATOM 0 H GLU A 106 -6.983 -0.094 -0.292 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.713 2.488 -1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.776 2.607 0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.611 0.870 0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.608 0.896 2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.688 2.643 2.303 1.00 0.00 H new ATOM 1657 N ALA A 107 -4.968 2.301 0.692 1.00 0.00 N ATOM 1658 CA ALA A 107 -3.782 3.041 1.104 1.00 0.00 C ATOM 1659 C ALA A 107 -3.177 3.806 -0.068 1.00 0.00 C ATOM 1660 O ALA A 107 -2.581 4.867 0.112 1.00 0.00 O ATOM 1661 CB ALA A 107 -2.753 2.096 1.707 1.00 0.00 C ATOM 0 H ALA A 107 -4.960 1.314 0.949 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.082 3.766 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.872 2.662 2.010 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.182 1.598 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.467 1.349 0.966 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.335 3.260 -1.270 1.00 0.00 N ATOM 1668 CA ALA A 108 -2.806 3.892 -2.472 1.00 0.00 C ATOM 1669 C ALA A 108 -3.580 5.162 -2.810 1.00 0.00 C ATOM 1670 O ALA A 108 -2.990 6.185 -3.159 1.00 0.00 O ATOM 1671 CB ALA A 108 -2.845 2.920 -3.641 1.00 0.00 C ATOM 0 H ALA A 108 -3.825 2.381 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.770 4.170 -2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.447 3.406 -4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.242 2.043 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.875 2.613 -3.825 1.00 0.00 H new ATOM 1677 N ARG A 109 -4.903 5.088 -2.707 1.00 0.00 N ATOM 1678 CA ARG A 109 -5.757 6.231 -3.005 1.00 0.00 C ATOM 1679 C ARG A 109 -5.260 7.483 -2.288 1.00 0.00 C ATOM 1680 O ARG A 109 -4.647 7.399 -1.223 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.201 5.936 -2.595 1.00 0.00 C ATOM 1682 CG ARG A 109 -7.971 5.120 -3.621 1.00 0.00 C ATOM 1683 CD ARG A 109 -9.046 4.269 -2.964 1.00 0.00 C ATOM 1684 NE ARG A 109 -10.320 4.975 -2.869 1.00 0.00 N ATOM 1685 CZ ARG A 109 -11.308 4.604 -2.061 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -11.168 3.539 -1.283 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -12.438 5.298 -2.031 1.00 0.00 N ATOM 0 H ARG A 109 -5.406 4.249 -2.420 1.00 0.00 H new ATOM 0 HA ARG A 109 -5.720 6.410 -4.080 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.198 5.401 -1.646 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.722 6.879 -2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -8.430 5.789 -4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.281 4.478 -4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.182 3.351 -3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -8.718 3.977 -1.966 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.460 5.798 -3.455 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.301 3.003 -1.304 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.928 3.256 -0.664 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.549 6.117 -2.628 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -13.196 5.012 -1.411 1.00 0.00 H new ATOM 1701 N VAL A 110 -5.528 8.643 -2.879 1.00 0.00 N ATOM 1702 CA VAL A 110 -5.109 9.912 -2.297 1.00 0.00 C ATOM 1703 C VAL A 110 -6.275 10.890 -2.211 1.00 0.00 C ATOM 1704 O VAL A 110 -6.581 11.592 -3.175 1.00 0.00 O ATOM 1705 CB VAL A 110 -3.973 10.556 -3.113 1.00 0.00 C ATOM 1706 CG1 VAL A 110 -3.575 11.895 -2.512 1.00 0.00 C ATOM 1707 CG2 VAL A 110 -2.776 9.620 -3.190 1.00 0.00 C ATOM 0 H VAL A 110 -6.034 8.730 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 110 -4.747 9.694 -1.292 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.333 10.733 -4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.771 12.334 -3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -4.435 12.565 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.233 11.747 -1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.983 10.091 -3.770 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -2.414 9.409 -2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.073 8.688 -3.671 1.00 0.00 H new ATOM 1717 N GLN A 111 -6.923 10.930 -1.052 1.00 0.00 N ATOM 1718 CA GLN A 111 -8.057 11.822 -0.841 1.00 0.00 C ATOM 1719 C GLN A 111 -7.842 13.154 -1.552 1.00 0.00 C ATOM 1720 O GLN A 111 -8.671 13.581 -2.356 1.00 0.00 O ATOM 1721 CB GLN A 111 -8.276 12.058 0.655 1.00 0.00 C ATOM 1722 CG GLN A 111 -9.578 12.776 0.973 1.00 0.00 C ATOM 1723 CD GLN A 111 -10.760 11.830 1.058 1.00 0.00 C ATOM 1724 OE1 GLN A 111 -10.594 10.629 1.269 1.00 0.00 O ATOM 1725 NE2 GLN A 111 -11.962 12.369 0.894 1.00 0.00 N ATOM 0 H GLN A 111 -6.682 10.355 -0.244 1.00 0.00 H new ATOM 0 HA GLN A 111 -8.944 11.347 -1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -8.264 11.098 1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -7.443 12.641 1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -9.474 13.307 1.919 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -9.772 13.526 0.206 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -12.053 13.370 0.721 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -12.795 11.782 0.941 1.00 0.00 H new ATOM 1734 N SER A 112 -6.724 13.806 -1.250 1.00 0.00 N ATOM 1735 CA SER A 112 -6.401 15.092 -1.858 1.00 0.00 C ATOM 1736 C SER A 112 -4.986 15.527 -1.489 1.00 0.00 C ATOM 1737 O SER A 112 -4.708 15.865 -0.339 1.00 0.00 O ATOM 1738 CB SER A 112 -7.406 16.156 -1.414 1.00 0.00 C ATOM 1739 OG SER A 112 -7.527 17.181 -2.385 1.00 0.00 O ATOM 0 H SER A 112 -6.027 13.465 -0.588 1.00 0.00 H new ATOM 0 HA SER A 112 -6.457 14.979 -2.941 1.00 0.00 H new ATOM 0 HB2 SER A 112 -8.379 15.694 -1.246 1.00 0.00 H new ATOM 0 HB3 SER A 112 -7.089 16.586 -0.464 1.00 0.00 H new ATOM 0 HG SER A 112 -8.176 17.848 -2.078 1.00 0.00 H new ATOM 1745 N GLY A 113 -4.094 15.517 -2.475 1.00 0.00 N ATOM 1746 CA GLY A 113 -2.719 15.912 -2.235 1.00 0.00 C ATOM 1747 C GLY A 113 -2.346 17.187 -2.965 1.00 0.00 C ATOM 1748 O GLY A 113 -2.705 18.291 -2.554 1.00 0.00 O ATOM 0 H GLY A 113 -4.300 15.242 -3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -2.566 16.052 -1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.053 15.109 -2.550 1.00 0.00 H new ATOM 1752 N PRO A 114 -1.607 17.044 -4.075 1.00 0.00 N ATOM 1753 CA PRO A 114 -1.168 18.183 -4.886 1.00 0.00 C ATOM 1754 C PRO A 114 -2.325 18.849 -5.624 1.00 0.00 C ATOM 1755 O PRO A 114 -2.433 20.075 -5.652 1.00 0.00 O ATOM 1756 CB PRO A 114 -0.190 17.554 -5.882 1.00 0.00 C ATOM 1757 CG PRO A 114 -0.615 16.130 -5.982 1.00 0.00 C ATOM 1758 CD PRO A 114 -1.143 15.759 -4.624 1.00 0.00 C ATOM 0 HA PRO A 114 -0.728 18.972 -4.276 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -0.238 18.050 -6.851 1.00 0.00 H new ATOM 0 HB3 PRO A 114 0.839 17.636 -5.532 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -1.382 16.004 -6.746 1.00 0.00 H new ATOM 0 HG3 PRO A 114 0.223 15.492 -6.263 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -1.955 15.035 -4.693 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -0.369 15.312 -4.000 1.00 0.00 H new ATOM 1766 N SER A 115 -3.188 18.033 -6.221 1.00 0.00 N ATOM 1767 CA SER A 115 -4.335 18.543 -6.962 1.00 0.00 C ATOM 1768 C SER A 115 -5.552 17.642 -6.769 1.00 0.00 C ATOM 1769 O SER A 115 -5.417 16.439 -6.546 1.00 0.00 O ATOM 1770 CB SER A 115 -4.000 18.653 -8.451 1.00 0.00 C ATOM 1771 OG SER A 115 -5.169 18.860 -9.224 1.00 0.00 O ATOM 0 H SER A 115 -3.114 17.016 -6.206 1.00 0.00 H new ATOM 0 HA SER A 115 -4.573 19.534 -6.576 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.305 19.477 -8.610 1.00 0.00 H new ATOM 0 HB3 SER A 115 -3.498 17.744 -8.782 1.00 0.00 H new ATOM 0 HG SER A 115 -4.927 18.929 -10.171 1.00 0.00 H new ATOM 1777 N SER A 116 -6.738 18.234 -6.856 1.00 0.00 N ATOM 1778 CA SER A 116 -7.979 17.487 -6.687 1.00 0.00 C ATOM 1779 C SER A 116 -7.933 16.174 -7.461 1.00 0.00 C ATOM 1780 O SER A 116 -7.134 16.011 -8.383 1.00 0.00 O ATOM 1781 CB SER A 116 -9.171 18.326 -7.153 1.00 0.00 C ATOM 1782 OG SER A 116 -9.592 19.222 -6.139 1.00 0.00 O ATOM 0 H SER A 116 -6.866 19.229 -7.042 1.00 0.00 H new ATOM 0 HA SER A 116 -8.096 17.259 -5.627 1.00 0.00 H new ATOM 0 HB2 SER A 116 -8.898 18.886 -8.047 1.00 0.00 H new ATOM 0 HB3 SER A 116 -9.996 17.669 -7.428 1.00 0.00 H new ATOM 0 HG SER A 116 -10.353 19.747 -6.462 1.00 0.00 H new ATOM 1788 N GLY A 117 -8.797 15.238 -7.080 1.00 0.00 N ATOM 1789 CA GLY A 117 -8.839 13.951 -7.748 1.00 0.00 C ATOM 1790 C GLY A 117 -9.541 14.016 -9.090 1.00 0.00 C ATOM 1791 O GLY A 117 -9.245 13.232 -9.992 1.00 0.00 O ATOM 0 H GLY A 117 -9.469 15.348 -6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -7.822 13.586 -7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -9.349 13.230 -7.109 1.00 0.00 H new TER 1795 GLY A 117