USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1005 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 LEU N :NH3+ -171:sc= 0 (180deg=-0.0853) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -134:sc= -0.0399 (180deg=-0.435) USER MOD Single : A 12 LYS NZ :NH3+ -147:sc= -3.48! (180deg=-6.44!) USER MOD Single : A 15 THR OG1 : rot 93:sc= -0.98! USER MOD Single : A 19 THR OG1 : rot 74:sc= -1.27 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= -0.0496 (180deg=-0.415) USER MOD Single : A 23 GLN : amide:sc= -2.72! K(o=-2.7!,f=-1.3) USER MOD Single : A 28 GLN : amide:sc= -6.07! K(o=-6.1!,f=-0.68) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.19) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.582 USER MOD Single : A 49 HIS : no HD1:sc= -0.0813 K(o=-0.081,f=-0.65) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0916 X(o=-0.092,f=-0.092) USER MOD Single : A 56 HIS : no HD1:sc= -0.187 K(o=-0.19,f=-2.4) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.0207 (180deg=-0.423) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 90:sc= 1.17 USER MOD Single : A 90 THR OG1 : rot 114:sc= 0.709 USER MOD Single : A 91 TYR OH : rot 30:sc= 0 USER MOD Single : A 92 THR OG1 : rot -100:sc= -1.05 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 96 LYS NZ :NH3+ 148:sc= -0.147 (180deg=-0.833) USER MOD Single : A 98 LYS NZ :NH3+ -163:sc= -0.0454 (180deg=-0.395) USER MOD Single : A 99 THR OG1 : rot -20:sc= 0.406 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 102 SER OG : rot 180:sc= -0.0704 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 115 THR OG1 : rot 89:sc= -0.437! USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -15.735 -26.266 -13.854 1.00 0.00 N ATOM 2 CA LEU A 1 -16.041 -27.063 -12.632 1.00 0.00 C ATOM 3 C LEU A 1 -14.818 -27.894 -12.258 1.00 0.00 C ATOM 4 O LEU A 1 -14.436 -27.963 -11.091 1.00 0.00 O ATOM 5 CB LEU A 1 -17.242 -27.976 -12.916 1.00 0.00 C ATOM 6 CG LEU A 1 -17.558 -28.848 -11.690 1.00 0.00 C ATOM 7 CD1 LEU A 1 -17.903 -27.959 -10.483 1.00 0.00 C ATOM 8 CD2 LEU A 1 -18.751 -29.752 -12.020 1.00 0.00 C ATOM 0 H1 LEU A 1 -16.503 -25.587 -14.027 1.00 0.00 H new ATOM 0 H2 LEU A 1 -14.842 -25.751 -13.718 1.00 0.00 H new ATOM 0 H3 LEU A 1 -15.646 -26.903 -14.671 1.00 0.00 H new ATOM 0 HA LEU A 1 -16.287 -26.401 -11.801 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -18.112 -27.372 -13.174 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -17.028 -28.611 -13.776 1.00 0.00 H new ATOM 0 HG LEU A 1 -16.687 -29.455 -11.441 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -18.125 -28.587 -9.620 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -17.056 -27.313 -10.253 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -18.773 -27.346 -10.719 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -18.985 -30.376 -11.157 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -19.616 -29.137 -12.268 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -18.502 -30.387 -12.870 1.00 0.00 H new ATOM 22 N ILE A 2 -14.209 -28.525 -13.259 1.00 0.00 N ATOM 23 CA ILE A 2 -13.030 -29.354 -13.029 1.00 0.00 C ATOM 24 C ILE A 2 -11.881 -28.513 -12.478 1.00 0.00 C ATOM 25 O ILE A 2 -11.188 -28.924 -11.547 1.00 0.00 O ATOM 26 CB ILE A 2 -12.605 -30.025 -14.339 1.00 0.00 C ATOM 27 CG1 ILE A 2 -13.670 -31.047 -14.741 1.00 0.00 C ATOM 28 CG2 ILE A 2 -11.264 -30.739 -14.148 1.00 0.00 C ATOM 29 CD1 ILE A 2 -13.403 -31.532 -16.168 1.00 0.00 C ATOM 0 H ILE A 2 -14.511 -28.478 -14.232 1.00 0.00 H new ATOM 0 HA ILE A 2 -13.280 -30.120 -12.295 1.00 0.00 H new ATOM 0 HB ILE A 2 -12.499 -29.269 -15.117 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -13.658 -31.891 -14.051 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -14.661 -30.598 -14.678 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -10.968 -31.214 -15.083 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -10.505 -30.015 -13.853 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -11.363 -31.498 -13.372 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -14.163 -32.260 -16.453 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -13.438 -30.685 -16.853 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -12.418 -31.997 -16.216 1.00 0.00 H new ATOM 41 N SER A 3 -11.681 -27.340 -13.065 1.00 0.00 N ATOM 42 CA SER A 3 -10.610 -26.451 -12.632 1.00 0.00 C ATOM 43 C SER A 3 -10.804 -26.047 -11.174 1.00 0.00 C ATOM 44 O SER A 3 -9.841 -25.946 -10.416 1.00 0.00 O ATOM 45 CB SER A 3 -10.584 -25.199 -13.511 1.00 0.00 C ATOM 46 OG SER A 3 -10.229 -25.564 -14.837 1.00 0.00 O ATOM 0 H SER A 3 -12.243 -26.983 -13.838 1.00 0.00 H new ATOM 0 HA SER A 3 -9.663 -26.982 -12.727 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.561 -24.715 -13.504 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.868 -24.478 -13.116 1.00 0.00 H new ATOM 0 HG SER A 3 -10.213 -24.764 -15.403 1.00 0.00 H new ATOM 52 N LYS A 4 -12.055 -25.812 -10.796 1.00 0.00 N ATOM 53 CA LYS A 4 -12.375 -25.411 -9.429 1.00 0.00 C ATOM 54 C LYS A 4 -11.621 -24.137 -9.057 1.00 0.00 C ATOM 55 O LYS A 4 -10.391 -24.119 -9.023 1.00 0.00 O ATOM 56 CB LYS A 4 -12.007 -26.520 -8.441 1.00 0.00 C ATOM 57 CG LYS A 4 -12.781 -27.794 -8.780 1.00 0.00 C ATOM 58 CD LYS A 4 -12.429 -28.884 -7.767 1.00 0.00 C ATOM 59 CE LYS A 4 -13.147 -30.182 -8.142 1.00 0.00 C ATOM 60 NZ LYS A 4 -14.621 -29.973 -8.073 1.00 0.00 N1+ ATOM 0 H LYS A 4 -12.863 -25.892 -11.414 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.448 -25.226 -9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.935 -26.714 -8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -12.237 -26.204 -7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.853 -27.598 -8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.534 -28.126 -9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.351 -29.044 -7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.721 -28.571 -6.764 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.860 -30.492 -9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.850 -30.983 -7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.061 -30.769 -7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.823 -29.087 -7.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.009 -29.917 -9.036 1.00 0.00 H new ATOM 74 N ILE A 5 -12.370 -23.073 -8.773 1.00 0.00 N ATOM 75 CA ILE A 5 -11.776 -21.789 -8.399 1.00 0.00 C ATOM 76 C ILE A 5 -12.398 -21.277 -7.101 1.00 0.00 C ATOM 77 O ILE A 5 -12.972 -20.186 -7.063 1.00 0.00 O ATOM 78 CB ILE A 5 -12.013 -20.770 -9.517 1.00 0.00 C ATOM 79 CG1 ILE A 5 -13.495 -20.783 -9.917 1.00 0.00 C ATOM 80 CG2 ILE A 5 -11.154 -21.139 -10.730 1.00 0.00 C ATOM 81 CD1 ILE A 5 -13.797 -19.606 -10.851 1.00 0.00 C ATOM 0 H ILE A 5 -13.390 -23.074 -8.795 1.00 0.00 H new ATOM 0 HA ILE A 5 -10.705 -21.925 -8.248 1.00 0.00 H new ATOM 0 HB ILE A 5 -11.741 -19.774 -9.166 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.738 -21.723 -10.413 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -14.121 -20.721 -9.027 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.321 -20.415 -11.528 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.102 -21.131 -10.447 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.428 -22.134 -11.080 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -14.851 -19.624 -11.129 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.572 -18.670 -10.341 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.183 -19.687 -11.748 1.00 0.00 H new ATOM 93 N PRO A 6 -12.297 -22.039 -6.042 1.00 0.00 N ATOM 94 CA PRO A 6 -12.872 -21.651 -4.720 1.00 0.00 C ATOM 95 C PRO A 6 -12.209 -20.402 -4.150 1.00 0.00 C ATOM 96 O PRO A 6 -12.848 -19.620 -3.452 1.00 0.00 O ATOM 97 CB PRO A 6 -12.622 -22.887 -3.833 1.00 0.00 C ATOM 98 CG PRO A 6 -11.480 -23.601 -4.481 1.00 0.00 C ATOM 99 CD PRO A 6 -11.626 -23.351 -5.980 1.00 0.00 C ATOM 0 HA PRO A 6 -13.928 -21.390 -4.788 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.378 -22.597 -2.811 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.507 -23.522 -3.781 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.525 -23.225 -4.114 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.509 -24.668 -4.258 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.658 -23.332 -6.481 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.218 -24.129 -6.462 1.00 0.00 H new ATOM 107 N PHE A 7 -10.933 -20.212 -4.457 1.00 0.00 N ATOM 108 CA PHE A 7 -10.225 -19.041 -3.961 1.00 0.00 C ATOM 109 C PHE A 7 -10.784 -17.789 -4.632 1.00 0.00 C ATOM 110 O PHE A 7 -10.994 -16.764 -3.985 1.00 0.00 O ATOM 111 CB PHE A 7 -8.724 -19.178 -4.247 1.00 0.00 C ATOM 112 CG PHE A 7 -7.935 -18.302 -3.297 1.00 0.00 C ATOM 113 CD1 PHE A 7 -7.967 -16.911 -3.435 1.00 0.00 C ATOM 114 CD2 PHE A 7 -7.178 -18.887 -2.273 1.00 0.00 C ATOM 115 CE1 PHE A 7 -7.235 -16.105 -2.551 1.00 0.00 C ATOM 116 CE2 PHE A 7 -6.448 -18.081 -1.392 1.00 0.00 C ATOM 117 CZ PHE A 7 -6.475 -16.691 -1.532 1.00 0.00 C ATOM 0 H PHE A 7 -10.376 -20.841 -5.036 1.00 0.00 H new ATOM 0 HA PHE A 7 -10.365 -18.959 -2.883 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.417 -20.218 -4.136 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.514 -18.892 -5.278 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.554 -16.458 -4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.158 -19.961 -2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.258 -15.030 -2.657 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.864 -18.533 -0.604 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.910 -16.069 -0.854 1.00 0.00 H new ATOM 127 N ALA A 8 -11.050 -17.898 -5.933 1.00 0.00 N ATOM 128 CA ALA A 8 -11.615 -16.786 -6.686 1.00 0.00 C ATOM 129 C ALA A 8 -12.969 -16.423 -6.097 1.00 0.00 C ATOM 130 O ALA A 8 -13.315 -15.256 -5.981 1.00 0.00 O ATOM 131 CB ALA A 8 -11.783 -17.179 -8.156 1.00 0.00 C ATOM 0 H ALA A 8 -10.884 -18.741 -6.482 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.944 -15.930 -6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.206 -16.341 -8.711 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.812 -17.439 -8.576 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.451 -18.037 -8.229 1.00 0.00 H new ATOM 137 N ARG A 9 -13.725 -17.442 -5.718 1.00 0.00 N ATOM 138 CA ARG A 9 -15.039 -17.227 -5.133 1.00 0.00 C ATOM 139 C ARG A 9 -14.921 -16.481 -3.813 1.00 0.00 C ATOM 140 O ARG A 9 -15.745 -15.633 -3.503 1.00 0.00 O ATOM 141 CB ARG A 9 -15.737 -18.566 -4.886 1.00 0.00 C ATOM 142 CG ARG A 9 -16.099 -19.225 -6.226 1.00 0.00 C ATOM 143 CD ARG A 9 -16.798 -20.565 -5.975 1.00 0.00 C ATOM 144 NE ARG A 9 -17.174 -21.183 -7.240 1.00 0.00 N ATOM 145 CZ ARG A 9 -17.811 -22.350 -7.273 1.00 0.00 C ATOM 146 NH1 ARG A 9 -18.110 -22.962 -6.160 1.00 0.00 N ATOM 147 NH2 ARG A 9 -18.136 -22.884 -8.420 1.00 0.00 N1+ ATOM 0 H ARG A 9 -13.453 -18.421 -5.804 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.625 -16.632 -5.833 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.085 -19.225 -4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.638 -18.412 -4.292 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.751 -18.567 -6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.198 -19.380 -6.820 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.136 -21.230 -5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.684 -20.411 -5.360 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.945 -20.712 -8.115 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.855 -22.545 -5.265 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -18.599 -23.857 -6.185 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.901 -22.406 -9.290 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -18.625 -23.779 -8.446 1.00 0.00 H new ATOM 161 N LEU A 10 -13.901 -16.808 -3.030 1.00 0.00 N ATOM 162 CA LEU A 10 -13.713 -16.153 -1.741 1.00 0.00 C ATOM 163 C LEU A 10 -13.265 -14.709 -1.934 1.00 0.00 C ATOM 164 O LEU A 10 -13.760 -13.798 -1.270 1.00 0.00 O ATOM 165 CB LEU A 10 -12.665 -16.929 -0.928 1.00 0.00 C ATOM 166 CG LEU A 10 -13.335 -17.944 0.021 1.00 0.00 C ATOM 167 CD1 LEU A 10 -14.439 -18.743 -0.708 1.00 0.00 C ATOM 168 CD2 LEU A 10 -12.260 -18.905 0.550 1.00 0.00 C ATOM 0 H LEU A 10 -13.200 -17.512 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.660 -16.145 -1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.989 -17.451 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.060 -16.231 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.802 -17.405 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.894 -19.451 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.201 -18.057 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.002 -19.286 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.719 -19.629 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.797 -19.429 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.500 -18.340 1.089 1.00 0.00 H new ATOM 180 N VAL A 11 -12.330 -14.513 -2.847 1.00 0.00 N ATOM 181 CA VAL A 11 -11.828 -13.176 -3.118 1.00 0.00 C ATOM 182 C VAL A 11 -12.958 -12.349 -3.695 1.00 0.00 C ATOM 183 O VAL A 11 -13.196 -11.213 -3.281 1.00 0.00 O ATOM 184 CB VAL A 11 -10.658 -13.225 -4.109 1.00 0.00 C ATOM 185 CG1 VAL A 11 -10.255 -11.806 -4.508 1.00 0.00 C ATOM 186 CG2 VAL A 11 -9.455 -13.922 -3.468 1.00 0.00 C ATOM 0 H VAL A 11 -11.907 -15.252 -3.408 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.466 -12.729 -2.192 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.973 -13.780 -4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.424 -11.848 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.102 -11.305 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.951 -11.251 -3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.630 -13.952 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.147 -13.372 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.730 -14.939 -3.189 1.00 0.00 H new ATOM 196 N LYS A 12 -13.665 -12.948 -4.640 1.00 0.00 N ATOM 197 CA LYS A 12 -14.790 -12.291 -5.263 1.00 0.00 C ATOM 198 C LYS A 12 -15.870 -12.030 -4.235 1.00 0.00 C ATOM 199 O LYS A 12 -16.518 -10.995 -4.270 1.00 0.00 O ATOM 200 CB LYS A 12 -15.355 -13.154 -6.393 1.00 0.00 C ATOM 201 CG LYS A 12 -14.389 -13.128 -7.581 1.00 0.00 C ATOM 202 CD LYS A 12 -14.793 -14.176 -8.626 1.00 0.00 C ATOM 203 CE LYS A 12 -16.075 -13.744 -9.349 1.00 0.00 C ATOM 204 NZ LYS A 12 -16.350 -14.685 -10.470 1.00 0.00 N1+ ATOM 0 H LYS A 12 -13.475 -13.888 -4.988 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.450 -11.343 -5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.497 -14.178 -6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.333 -12.781 -6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.387 -12.137 -8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.374 -13.323 -7.236 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.987 -14.308 -9.348 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.948 -15.140 -8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.913 -13.735 -8.653 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.967 -12.729 -9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.800 -14.170 -11.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.457 -15.103 -10.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.985 -15.440 -10.142 1.00 0.00 H new ATOM 218 N GLU A 13 -16.080 -12.976 -3.326 1.00 0.00 N ATOM 219 CA GLU A 13 -17.113 -12.794 -2.317 1.00 0.00 C ATOM 220 C GLU A 13 -16.775 -11.644 -1.371 1.00 0.00 C ATOM 221 O GLU A 13 -17.628 -10.806 -1.087 1.00 0.00 O ATOM 222 CB GLU A 13 -17.286 -14.099 -1.553 1.00 0.00 C ATOM 223 CG GLU A 13 -18.102 -15.088 -2.410 1.00 0.00 C ATOM 224 CD GLU A 13 -19.596 -14.950 -2.119 1.00 0.00 C ATOM 225 OE1 GLU A 13 -20.033 -15.468 -1.105 1.00 0.00 O ATOM 226 OE2 GLU A 13 -20.280 -14.331 -2.918 1.00 0.00 O1- ATOM 0 H GLU A 13 -15.564 -13.854 -3.267 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.050 -12.531 -2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.312 -14.525 -1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.794 -13.915 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.914 -14.902 -3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.779 -16.108 -2.203 1.00 0.00 H new ATOM 233 N VAL A 14 -15.531 -11.583 -0.912 1.00 0.00 N ATOM 234 CA VAL A 14 -15.124 -10.495 -0.029 1.00 0.00 C ATOM 235 C VAL A 14 -15.224 -9.178 -0.775 1.00 0.00 C ATOM 236 O VAL A 14 -15.743 -8.178 -0.264 1.00 0.00 O ATOM 237 CB VAL A 14 -13.679 -10.703 0.445 1.00 0.00 C ATOM 238 CG1 VAL A 14 -13.173 -9.446 1.158 1.00 0.00 C ATOM 239 CG2 VAL A 14 -13.642 -11.868 1.426 1.00 0.00 C ATOM 0 H VAL A 14 -14.799 -12.259 -1.130 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.782 -10.481 0.840 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.047 -10.910 -0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.147 -9.604 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.206 -8.600 0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.806 -9.238 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.619 -12.023 1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.280 -11.644 2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -14.000 -12.771 0.932 1.00 0.00 H new ATOM 249 N THR A 15 -14.709 -9.195 -1.990 1.00 0.00 N ATOM 250 CA THR A 15 -14.711 -8.016 -2.814 1.00 0.00 C ATOM 251 C THR A 15 -16.143 -7.599 -3.114 1.00 0.00 C ATOM 252 O THR A 15 -16.446 -6.418 -3.146 1.00 0.00 O ATOM 253 CB THR A 15 -13.960 -8.290 -4.120 1.00 0.00 C ATOM 254 OG1 THR A 15 -12.651 -8.746 -3.824 1.00 0.00 O ATOM 255 CG2 THR A 15 -13.858 -7.000 -4.935 1.00 0.00 C ATOM 0 H THR A 15 -14.285 -10.016 -2.422 1.00 0.00 H new ATOM 0 HA THR A 15 -14.210 -7.208 -2.282 1.00 0.00 H new ATOM 0 HB THR A 15 -14.499 -9.046 -4.691 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.645 -9.725 -3.792 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.323 -7.198 -5.864 1.00 0.00 H new ATOM 0 HG22 THR A 15 -14.859 -6.634 -5.164 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.319 -6.248 -4.359 1.00 0.00 H new ATOM 263 N ASP A 16 -17.017 -8.579 -3.346 1.00 0.00 N ATOM 264 CA ASP A 16 -18.415 -8.287 -3.654 1.00 0.00 C ATOM 265 C ASP A 16 -19.084 -7.548 -2.498 1.00 0.00 C ATOM 266 O ASP A 16 -19.881 -6.635 -2.715 1.00 0.00 O ATOM 267 CB ASP A 16 -19.178 -9.578 -3.950 1.00 0.00 C ATOM 268 CG ASP A 16 -18.750 -10.145 -5.300 1.00 0.00 C ATOM 269 OD1 ASP A 16 -18.098 -9.429 -6.043 1.00 0.00 O ATOM 270 OD2 ASP A 16 -19.081 -11.287 -5.572 1.00 0.00 O1- ATOM 0 H ASP A 16 -16.784 -9.572 -3.327 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.437 -7.648 -4.537 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.989 -10.309 -3.164 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.250 -9.383 -3.953 1.00 0.00 H new ATOM 275 N GLU A 17 -18.752 -7.937 -1.270 1.00 0.00 N ATOM 276 CA GLU A 17 -19.318 -7.299 -0.099 1.00 0.00 C ATOM 277 C GLU A 17 -18.939 -5.836 -0.114 1.00 0.00 C ATOM 278 O GLU A 17 -19.753 -4.964 0.189 1.00 0.00 O ATOM 279 CB GLU A 17 -18.762 -7.968 1.154 1.00 0.00 C ATOM 280 CG GLU A 17 -19.308 -9.394 1.246 1.00 0.00 C ATOM 281 CD GLU A 17 -20.757 -9.376 1.721 1.00 0.00 C ATOM 282 OE1 GLU A 17 -21.233 -8.309 2.073 1.00 0.00 O ATOM 283 OE2 GLU A 17 -21.371 -10.431 1.726 1.00 0.00 O1- ATOM 0 H GLU A 17 -18.095 -8.690 -1.067 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.404 -7.395 -0.102 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.673 -7.984 1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.044 -7.400 2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.243 -9.879 0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.700 -9.980 1.935 1.00 0.00 H new ATOM 290 N PHE A 18 -17.702 -5.569 -0.502 1.00 0.00 N ATOM 291 CA PHE A 18 -17.246 -4.197 -0.591 1.00 0.00 C ATOM 292 C PHE A 18 -17.899 -3.546 -1.808 1.00 0.00 C ATOM 293 O PHE A 18 -18.358 -2.405 -1.756 1.00 0.00 O ATOM 294 CB PHE A 18 -15.730 -4.149 -0.763 1.00 0.00 C ATOM 295 CG PHE A 18 -14.997 -5.006 0.231 1.00 0.00 C ATOM 296 CD1 PHE A 18 -15.589 -5.483 1.415 1.00 0.00 C ATOM 297 CD2 PHE A 18 -13.672 -5.324 -0.060 1.00 0.00 C ATOM 298 CE1 PHE A 18 -14.841 -6.268 2.289 1.00 0.00 C ATOM 299 CE2 PHE A 18 -12.934 -6.102 0.813 1.00 0.00 C ATOM 300 CZ PHE A 18 -13.515 -6.571 1.984 1.00 0.00 C ATOM 0 H PHE A 18 -17.009 -6.273 -0.756 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.516 -3.669 0.324 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.474 -4.473 -1.772 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.391 -3.118 -0.664 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.616 -5.242 1.644 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.220 -4.961 -0.971 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.287 -6.641 3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -11.907 -6.345 0.584 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.934 -7.176 2.664 1.00 0.00 H new ATOM 310 N THR A 19 -17.931 -4.305 -2.899 1.00 0.00 N ATOM 311 CA THR A 19 -18.521 -3.852 -4.150 1.00 0.00 C ATOM 312 C THR A 19 -20.021 -4.018 -4.100 1.00 0.00 C ATOM 313 O THR A 19 -20.703 -3.903 -5.118 1.00 0.00 O ATOM 314 CB THR A 19 -17.948 -4.630 -5.347 1.00 0.00 C ATOM 315 OG1 THR A 19 -16.576 -4.910 -5.120 1.00 0.00 O ATOM 316 CG2 THR A 19 -18.091 -3.791 -6.623 1.00 0.00 C ATOM 0 H THR A 19 -17.549 -5.250 -2.939 1.00 0.00 H new ATOM 0 HA THR A 19 -18.276 -2.798 -4.280 1.00 0.00 H new ATOM 0 HB THR A 19 -18.496 -5.565 -5.463 1.00 0.00 H new ATOM 0 HG1 THR A 19 -16.494 -5.623 -4.452 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.684 -4.344 -7.470 1.00 0.00 H new ATOM 0 HG22 THR A 19 -19.145 -3.577 -6.802 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.546 -2.855 -6.506 1.00 0.00 H new ATOM 324 N THR A 20 -20.542 -4.280 -2.903 1.00 0.00 N ATOM 325 CA THR A 20 -21.983 -4.437 -2.727 1.00 0.00 C ATOM 326 C THR A 20 -22.705 -3.327 -3.487 1.00 0.00 C ATOM 327 O THR A 20 -23.904 -3.411 -3.760 1.00 0.00 O ATOM 328 CB THR A 20 -22.348 -4.396 -1.242 1.00 0.00 C ATOM 329 OG1 THR A 20 -23.759 -4.497 -1.101 1.00 0.00 O ATOM 330 CG2 THR A 20 -21.862 -3.082 -0.628 1.00 0.00 C ATOM 0 H THR A 20 -19.994 -4.387 -2.049 1.00 0.00 H new ATOM 0 HA THR A 20 -22.292 -5.404 -3.123 1.00 0.00 H new ATOM 0 HB THR A 20 -21.870 -5.230 -0.727 1.00 0.00 H new ATOM 0 HG1 THR A 20 -23.995 -4.473 -0.150 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.124 -3.056 0.430 1.00 0.00 H new ATOM 0 HG22 THR A 20 -20.780 -3.008 -0.736 1.00 0.00 H new ATOM 0 HG23 THR A 20 -22.336 -2.244 -1.140 1.00 0.00 H new ATOM 338 N LYS A 21 -21.932 -2.311 -3.871 1.00 0.00 N ATOM 339 CA LYS A 21 -22.432 -1.200 -4.652 1.00 0.00 C ATOM 340 C LYS A 21 -22.827 -1.682 -6.044 1.00 0.00 C ATOM 341 O LYS A 21 -22.854 -0.897 -6.992 1.00 0.00 O ATOM 342 CB LYS A 21 -21.340 -0.141 -4.786 1.00 0.00 C ATOM 343 CG LYS A 21 -21.129 0.540 -3.436 1.00 0.00 C ATOM 344 CD LYS A 21 -20.037 1.599 -3.570 1.00 0.00 C ATOM 345 CE LYS A 21 -19.890 2.349 -2.246 1.00 0.00 C ATOM 346 NZ LYS A 21 -19.453 1.398 -1.182 1.00 0.00 N1+ ATOM 0 H LYS A 21 -20.940 -2.243 -3.644 1.00 0.00 H new ATOM 0 HA LYS A 21 -23.303 -0.776 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.411 -0.601 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.622 0.596 -5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -22.058 1.000 -3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.847 -0.197 -2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -19.091 1.130 -3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.288 2.296 -4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -19.163 3.154 -2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -20.838 2.810 -1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.079 1.932 -0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -20.264 0.825 -0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.711 0.774 -1.558 1.00 0.00 H new ATOM 360 N ASP A 22 -23.133 -2.978 -6.164 1.00 0.00 N ATOM 361 CA ASP A 22 -23.532 -3.548 -7.442 1.00 0.00 C ATOM 362 C ASP A 22 -24.904 -3.016 -7.824 1.00 0.00 C ATOM 363 O ASP A 22 -25.753 -3.742 -8.342 1.00 0.00 O ATOM 364 CB ASP A 22 -23.581 -5.073 -7.348 1.00 0.00 C ATOM 365 CG ASP A 22 -22.224 -5.613 -6.912 1.00 0.00 C ATOM 366 OD1 ASP A 22 -21.231 -5.193 -7.483 1.00 0.00 O ATOM 367 OD2 ASP A 22 -22.197 -6.438 -6.014 1.00 0.00 O1- ATOM 0 H ASP A 22 -23.110 -3.644 -5.392 1.00 0.00 H new ATOM 0 HA ASP A 22 -22.803 -3.266 -8.202 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -24.348 -5.377 -6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -23.857 -5.496 -8.314 1.00 0.00 H new ATOM 372 N GLN A 23 -25.105 -1.738 -7.544 1.00 0.00 N ATOM 373 CA GLN A 23 -26.359 -1.070 -7.827 1.00 0.00 C ATOM 374 C GLN A 23 -26.770 -1.268 -9.277 1.00 0.00 C ATOM 375 O GLN A 23 -27.949 -1.180 -9.611 1.00 0.00 O ATOM 376 CB GLN A 23 -26.200 0.426 -7.511 1.00 0.00 C ATOM 377 CG GLN A 23 -25.005 1.029 -8.308 1.00 0.00 C ATOM 378 CD GLN A 23 -24.076 1.833 -7.390 1.00 0.00 C ATOM 379 OE1 GLN A 23 -24.530 2.732 -6.680 1.00 0.00 O ATOM 380 NE2 GLN A 23 -22.793 1.560 -7.363 1.00 0.00 N ATOM 0 H GLN A 23 -24.402 -1.137 -7.114 1.00 0.00 H new ATOM 0 HA GLN A 23 -27.145 -1.499 -7.205 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -27.118 0.957 -7.764 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -26.037 0.562 -6.442 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -24.443 0.228 -8.787 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -25.382 1.673 -9.102 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -22.417 0.816 -7.951 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -22.171 2.092 -6.754 1.00 0.00 H new ATOM 389 N ASP A 24 -25.792 -1.546 -10.127 1.00 0.00 N ATOM 390 CA ASP A 24 -26.059 -1.764 -11.539 1.00 0.00 C ATOM 391 C ASP A 24 -24.789 -2.236 -12.235 1.00 0.00 C ATOM 392 O ASP A 24 -24.785 -2.483 -13.440 1.00 0.00 O ATOM 393 CB ASP A 24 -26.557 -0.454 -12.176 1.00 0.00 C ATOM 394 CG ASP A 24 -28.080 -0.316 -12.074 1.00 0.00 C ATOM 395 OD1 ASP A 24 -28.740 -1.307 -11.809 1.00 0.00 O ATOM 396 OD2 ASP A 24 -28.563 0.787 -12.262 1.00 0.00 O1- ATOM 0 H ASP A 24 -24.810 -1.625 -9.864 1.00 0.00 H new ATOM 0 HA ASP A 24 -26.827 -2.529 -11.651 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -26.081 0.394 -11.683 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -26.258 -0.423 -13.224 1.00 0.00 H new ATOM 401 N LEU A 25 -23.717 -2.355 -11.464 1.00 0.00 N ATOM 402 CA LEU A 25 -22.433 -2.784 -12.022 1.00 0.00 C ATOM 403 C LEU A 25 -22.510 -4.205 -12.549 1.00 0.00 C ATOM 404 O LEU A 25 -23.468 -4.938 -12.307 1.00 0.00 O ATOM 405 CB LEU A 25 -21.313 -2.684 -10.981 1.00 0.00 C ATOM 406 CG LEU A 25 -20.684 -1.286 -10.976 1.00 0.00 C ATOM 407 CD1 LEU A 25 -21.742 -0.250 -10.603 1.00 0.00 C ATOM 408 CD2 LEU A 25 -19.555 -1.243 -9.941 1.00 0.00 C ATOM 0 H LEU A 25 -23.705 -2.164 -10.462 1.00 0.00 H new ATOM 0 HA LEU A 25 -22.205 -2.113 -12.850 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -21.711 -2.910 -9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -20.547 -3.430 -11.194 1.00 0.00 H new ATOM 0 HG LEU A 25 -20.288 -1.064 -11.967 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -21.293 0.743 -10.600 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -22.553 -0.280 -11.331 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -22.136 -0.473 -9.612 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.105 -0.250 -9.934 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -19.958 -1.465 -8.953 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.797 -1.983 -10.198 1.00 0.00 H new ATOM 420 N ARG A 26 -21.473 -4.562 -13.292 1.00 0.00 N ATOM 421 CA ARG A 26 -21.369 -5.881 -13.901 1.00 0.00 C ATOM 422 C ARG A 26 -19.933 -6.392 -13.841 1.00 0.00 C ATOM 423 O ARG A 26 -18.985 -5.656 -14.097 1.00 0.00 O ATOM 424 CB ARG A 26 -21.822 -5.798 -15.350 1.00 0.00 C ATOM 425 CG ARG A 26 -21.877 -7.203 -15.942 1.00 0.00 C ATOM 426 CD ARG A 26 -22.307 -7.113 -17.401 1.00 0.00 C ATOM 427 NE ARG A 26 -23.657 -6.565 -17.497 1.00 0.00 N ATOM 428 CZ ARG A 26 -24.728 -7.337 -17.341 1.00 0.00 C ATOM 429 NH1 ARG A 26 -24.583 -8.611 -17.091 1.00 0.00 N ATOM 430 NH2 ARG A 26 -25.923 -6.823 -17.435 1.00 0.00 N1+ ATOM 0 H ARG A 26 -20.682 -3.949 -13.490 1.00 0.00 H new ATOM 0 HA ARG A 26 -22.004 -6.575 -13.351 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -22.803 -5.327 -15.410 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -21.134 -5.176 -15.923 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -20.900 -7.681 -15.867 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.578 -7.820 -15.381 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -21.611 -6.483 -17.954 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -22.275 -8.102 -17.859 1.00 0.00 H new ATOM 0 HE ARG A 26 -23.781 -5.571 -17.687 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -23.649 -9.013 -17.016 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -25.404 -9.204 -16.971 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -26.036 -5.828 -17.628 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.744 -7.416 -17.315 1.00 0.00 H new ATOM 444 N TRP A 27 -19.774 -7.661 -13.494 1.00 0.00 N ATOM 445 CA TRP A 27 -18.439 -8.260 -13.398 1.00 0.00 C ATOM 446 C TRP A 27 -18.080 -9.059 -14.647 1.00 0.00 C ATOM 447 O TRP A 27 -18.669 -10.102 -14.926 1.00 0.00 O ATOM 448 CB TRP A 27 -18.366 -9.198 -12.185 1.00 0.00 C ATOM 449 CG TRP A 27 -18.168 -8.428 -10.925 1.00 0.00 C ATOM 450 CD1 TRP A 27 -18.975 -7.452 -10.459 1.00 0.00 C ATOM 451 CD2 TRP A 27 -17.105 -8.578 -9.958 1.00 0.00 C ATOM 452 NE1 TRP A 27 -18.481 -7.010 -9.242 1.00 0.00 N ATOM 453 CE2 TRP A 27 -17.323 -7.677 -8.895 1.00 0.00 C ATOM 454 CE3 TRP A 27 -15.983 -9.416 -9.906 1.00 0.00 C ATOM 455 CZ2 TRP A 27 -16.454 -7.611 -7.809 1.00 0.00 C ATOM 456 CZ3 TRP A 27 -15.103 -9.350 -8.821 1.00 0.00 C ATOM 457 CH2 TRP A 27 -15.338 -8.454 -7.774 1.00 0.00 C ATOM 0 H TRP A 27 -20.542 -8.296 -13.275 1.00 0.00 H new ATOM 0 HA TRP A 27 -17.730 -7.439 -13.292 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -19.283 -9.783 -12.117 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -17.546 -9.905 -12.316 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -19.859 -7.077 -10.953 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -18.918 -6.284 -8.674 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -15.797 -10.116 -10.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -16.639 -6.917 -7.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -14.237 -9.995 -8.792 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -14.657 -8.412 -6.937 1.00 0.00 H new ATOM 468 N GLN A 28 -17.076 -8.577 -15.363 1.00 0.00 N ATOM 469 CA GLN A 28 -16.588 -9.257 -16.553 1.00 0.00 C ATOM 470 C GLN A 28 -15.573 -10.315 -16.135 1.00 0.00 C ATOM 471 O GLN A 28 -15.044 -10.262 -15.025 1.00 0.00 O ATOM 472 CB GLN A 28 -15.908 -8.247 -17.472 1.00 0.00 C ATOM 473 CG GLN A 28 -16.822 -7.039 -17.622 1.00 0.00 C ATOM 474 CD GLN A 28 -18.174 -7.475 -18.149 1.00 0.00 C ATOM 475 OE1 GLN A 28 -18.260 -8.119 -19.194 1.00 0.00 O ATOM 476 NE2 GLN A 28 -19.238 -7.163 -17.481 1.00 0.00 N ATOM 0 H GLN A 28 -16.581 -7.714 -15.139 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.421 -9.724 -17.078 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.946 -7.945 -17.057 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.709 -8.695 -18.446 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.941 -6.541 -16.660 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.373 -6.315 -18.302 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -19.159 -6.629 -16.616 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -20.156 -7.451 -17.820 1.00 0.00 H new ATOM 485 N SER A 29 -15.289 -11.263 -17.013 1.00 0.00 N ATOM 486 CA SER A 29 -14.317 -12.297 -16.685 1.00 0.00 C ATOM 487 C SER A 29 -12.962 -11.649 -16.432 1.00 0.00 C ATOM 488 O SER A 29 -12.099 -12.219 -15.764 1.00 0.00 O ATOM 489 CB SER A 29 -14.205 -13.304 -17.830 1.00 0.00 C ATOM 490 OG SER A 29 -13.698 -12.648 -18.985 1.00 0.00 O ATOM 0 H SER A 29 -15.707 -11.340 -17.940 1.00 0.00 H new ATOM 0 HA SER A 29 -14.645 -12.825 -15.790 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.546 -14.124 -17.545 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.181 -13.739 -18.044 1.00 0.00 H new ATOM 0 HG SER A 29 -13.623 -13.291 -19.720 1.00 0.00 H new ATOM 496 N MET A 30 -12.793 -10.440 -16.963 1.00 0.00 N ATOM 497 CA MET A 30 -11.548 -9.701 -16.785 1.00 0.00 C ATOM 498 C MET A 30 -11.409 -9.306 -15.322 1.00 0.00 C ATOM 499 O MET A 30 -10.322 -9.311 -14.759 1.00 0.00 O ATOM 500 CB MET A 30 -11.536 -8.440 -17.655 1.00 0.00 C ATOM 501 CG MET A 30 -11.637 -8.838 -19.124 1.00 0.00 C ATOM 502 SD MET A 30 -11.615 -7.352 -20.155 1.00 0.00 S ATOM 503 CE MET A 30 -11.896 -8.174 -21.743 1.00 0.00 C ATOM 0 H MET A 30 -13.499 -9.955 -17.517 1.00 0.00 H new ATOM 0 HA MET A 30 -10.715 -10.337 -17.085 1.00 0.00 H new ATOM 0 HB2 MET A 30 -12.368 -7.790 -17.385 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.621 -7.874 -17.482 1.00 0.00 H new ATOM 0 HG2 MET A 30 -10.807 -9.492 -19.392 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.555 -9.400 -19.297 1.00 0.00 H new ATOM 0 HE1 MET A 30 -11.920 -7.430 -22.539 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.090 -8.883 -21.933 1.00 0.00 H new ATOM 0 HE3 MET A 30 -12.847 -8.705 -21.714 1.00 0.00 H new ATOM 513 N ALA A 31 -12.535 -8.978 -14.711 1.00 0.00 N ATOM 514 CA ALA A 31 -12.548 -8.583 -13.310 1.00 0.00 C ATOM 515 C ALA A 31 -11.897 -9.677 -12.469 1.00 0.00 C ATOM 516 O ALA A 31 -11.143 -9.401 -11.537 1.00 0.00 O ATOM 517 CB ALA A 31 -13.992 -8.376 -12.863 1.00 0.00 C ATOM 0 H ALA A 31 -13.451 -8.977 -15.161 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.992 -7.655 -13.181 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.009 -8.080 -11.814 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.452 -7.595 -13.468 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.548 -9.305 -12.987 1.00 0.00 H new ATOM 523 N ILE A 32 -12.186 -10.919 -12.830 1.00 0.00 N ATOM 524 CA ILE A 32 -11.631 -12.075 -12.145 1.00 0.00 C ATOM 525 C ILE A 32 -10.142 -12.197 -12.448 1.00 0.00 C ATOM 526 O ILE A 32 -9.334 -12.495 -11.572 1.00 0.00 O ATOM 527 CB ILE A 32 -12.362 -13.320 -12.618 1.00 0.00 C ATOM 528 CG1 ILE A 32 -13.850 -13.131 -12.318 1.00 0.00 C ATOM 529 CG2 ILE A 32 -11.830 -14.549 -11.874 1.00 0.00 C ATOM 530 CD1 ILE A 32 -14.665 -14.320 -12.836 1.00 0.00 C ATOM 0 H ILE A 32 -12.809 -11.152 -13.603 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.756 -11.960 -11.068 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.207 -13.471 -13.686 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.998 -13.023 -11.243 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.205 -12.211 -12.782 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.358 -15.439 -12.217 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.764 -14.661 -12.072 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.989 -14.423 -10.803 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.720 -14.163 -12.611 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.533 -14.409 -13.914 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.323 -15.234 -12.351 1.00 0.00 H new ATOM 542 N MET A 33 -9.791 -11.940 -13.699 1.00 0.00 N ATOM 543 CA MET A 33 -8.399 -11.995 -14.116 1.00 0.00 C ATOM 544 C MET A 33 -7.626 -10.971 -13.307 1.00 0.00 C ATOM 545 O MET A 33 -6.492 -11.200 -12.891 1.00 0.00 O ATOM 546 CB MET A 33 -8.288 -11.668 -15.610 1.00 0.00 C ATOM 547 CG MET A 33 -8.874 -12.814 -16.441 1.00 0.00 C ATOM 548 SD MET A 33 -7.848 -14.295 -16.251 1.00 0.00 S ATOM 549 CE MET A 33 -8.831 -15.389 -17.304 1.00 0.00 C ATOM 0 H MET A 33 -10.447 -11.693 -14.439 1.00 0.00 H new ATOM 0 HA MET A 33 -7.995 -12.993 -13.950 1.00 0.00 H new ATOM 0 HB2 MET A 33 -8.818 -10.741 -15.828 1.00 0.00 H new ATOM 0 HB3 MET A 33 -7.244 -11.509 -15.880 1.00 0.00 H new ATOM 0 HG2 MET A 33 -9.894 -13.024 -16.120 1.00 0.00 H new ATOM 0 HG3 MET A 33 -8.923 -12.526 -17.491 1.00 0.00 H new ATOM 0 HE1 MET A 33 -8.371 -16.377 -17.331 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.841 -15.470 -16.902 1.00 0.00 H new ATOM 0 HE3 MET A 33 -8.874 -14.981 -18.314 1.00 0.00 H new ATOM 559 N ALA A 34 -8.279 -9.843 -13.078 1.00 0.00 N ATOM 560 CA ALA A 34 -7.701 -8.766 -12.303 1.00 0.00 C ATOM 561 C ALA A 34 -7.390 -9.256 -10.900 1.00 0.00 C ATOM 562 O ALA A 34 -6.377 -8.883 -10.321 1.00 0.00 O ATOM 563 CB ALA A 34 -8.682 -7.579 -12.259 1.00 0.00 C ATOM 0 H ALA A 34 -9.220 -9.652 -13.424 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.773 -8.435 -12.769 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.246 -6.768 -11.675 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.878 -7.231 -13.273 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.617 -7.897 -11.797 1.00 0.00 H new ATOM 569 N LEU A 35 -8.261 -10.097 -10.357 1.00 0.00 N ATOM 570 CA LEU A 35 -8.024 -10.616 -9.021 1.00 0.00 C ATOM 571 C LEU A 35 -6.773 -11.478 -9.018 1.00 0.00 C ATOM 572 O LEU A 35 -5.982 -11.439 -8.075 1.00 0.00 O ATOM 573 CB LEU A 35 -9.218 -11.436 -8.534 1.00 0.00 C ATOM 574 CG LEU A 35 -10.426 -10.516 -8.269 1.00 0.00 C ATOM 575 CD1 LEU A 35 -11.651 -11.372 -7.914 1.00 0.00 C ATOM 576 CD2 LEU A 35 -10.125 -9.526 -7.120 1.00 0.00 C ATOM 0 H LEU A 35 -9.115 -10.426 -10.808 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.887 -9.772 -8.344 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.481 -12.187 -9.279 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.953 -11.971 -7.622 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.629 -9.938 -9.171 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.506 -10.723 -7.726 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.879 -12.042 -8.743 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.438 -11.959 -7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.993 -8.888 -6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.902 -10.082 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.267 -8.909 -7.387 1.00 0.00 H new ATOM 588 N GLN A 36 -6.597 -12.252 -10.080 1.00 0.00 N ATOM 589 CA GLN A 36 -5.439 -13.114 -10.188 1.00 0.00 C ATOM 590 C GLN A 36 -4.184 -12.266 -10.291 1.00 0.00 C ATOM 591 O GLN A 36 -3.165 -12.550 -9.659 1.00 0.00 O ATOM 592 CB GLN A 36 -5.587 -13.978 -11.434 1.00 0.00 C ATOM 593 CG GLN A 36 -6.780 -14.906 -11.248 1.00 0.00 C ATOM 594 CD GLN A 36 -6.460 -15.960 -10.198 1.00 0.00 C ATOM 595 OE1 GLN A 36 -5.508 -16.724 -10.349 1.00 0.00 O ATOM 596 NE2 GLN A 36 -7.202 -16.041 -9.133 1.00 0.00 N ATOM 0 H GLN A 36 -7.239 -12.298 -10.871 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.363 -13.751 -9.307 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.730 -13.351 -12.314 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.680 -14.558 -11.601 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.655 -14.331 -10.943 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.028 -15.387 -12.194 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.991 -15.406 -9.011 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.995 -16.740 -8.419 1.00 0.00 H new ATOM 605 N GLU A 37 -4.286 -11.202 -11.076 1.00 0.00 N ATOM 606 CA GLU A 37 -3.180 -10.285 -11.251 1.00 0.00 C ATOM 607 C GLU A 37 -2.890 -9.582 -9.936 1.00 0.00 C ATOM 608 O GLU A 37 -1.744 -9.318 -9.597 1.00 0.00 O ATOM 609 CB GLU A 37 -3.532 -9.239 -12.306 1.00 0.00 C ATOM 610 CG GLU A 37 -3.645 -9.910 -13.676 1.00 0.00 C ATOM 611 CD GLU A 37 -2.270 -10.371 -14.146 1.00 0.00 C ATOM 612 OE1 GLU A 37 -1.288 -9.894 -13.600 1.00 0.00 O ATOM 613 OE2 GLU A 37 -2.217 -11.194 -15.045 1.00 0.00 O1- ATOM 0 H GLU A 37 -5.126 -10.957 -11.600 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.303 -10.846 -11.574 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.473 -8.752 -12.050 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.768 -8.462 -12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.323 -10.762 -13.618 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.070 -9.213 -14.398 1.00 0.00 H new ATOM 620 N ALA A 38 -3.959 -9.252 -9.222 1.00 0.00 N ATOM 621 CA ALA A 38 -3.845 -8.537 -7.953 1.00 0.00 C ATOM 622 C ALA A 38 -3.090 -9.324 -6.893 1.00 0.00 C ATOM 623 O ALA A 38 -2.195 -8.790 -6.239 1.00 0.00 O ATOM 624 CB ALA A 38 -5.245 -8.217 -7.430 1.00 0.00 C ATOM 0 H ALA A 38 -4.917 -9.468 -9.499 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.277 -7.627 -8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.166 -7.683 -6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.771 -7.595 -8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.798 -9.144 -7.279 1.00 0.00 H new ATOM 630 N SER A 39 -3.462 -10.579 -6.702 1.00 0.00 N ATOM 631 CA SER A 39 -2.809 -11.387 -5.687 1.00 0.00 C ATOM 632 C SER A 39 -1.346 -11.636 -6.025 1.00 0.00 C ATOM 633 O SER A 39 -0.466 -11.477 -5.178 1.00 0.00 O ATOM 634 CB SER A 39 -3.537 -12.723 -5.528 1.00 0.00 C ATOM 635 OG SER A 39 -2.879 -13.502 -4.539 1.00 0.00 O ATOM 0 H SER A 39 -4.198 -11.053 -7.225 1.00 0.00 H new ATOM 0 HA SER A 39 -2.850 -10.835 -4.748 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.575 -12.553 -5.242 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.552 -13.257 -6.478 1.00 0.00 H new ATOM 0 HG SER A 39 -3.344 -14.358 -4.434 1.00 0.00 H new ATOM 641 N GLU A 40 -1.093 -12.042 -7.260 1.00 0.00 N ATOM 642 CA GLU A 40 0.271 -12.328 -7.686 1.00 0.00 C ATOM 643 C GLU A 40 1.096 -11.046 -7.793 1.00 0.00 C ATOM 644 O GLU A 40 2.309 -11.064 -7.599 1.00 0.00 O ATOM 645 CB GLU A 40 0.241 -13.051 -9.039 1.00 0.00 C ATOM 646 CG GLU A 40 -0.163 -12.079 -10.146 1.00 0.00 C ATOM 647 CD GLU A 40 -0.441 -12.849 -11.435 1.00 0.00 C ATOM 648 OE1 GLU A 40 -0.457 -14.068 -11.381 1.00 0.00 O ATOM 649 OE2 GLU A 40 -0.628 -12.209 -12.456 1.00 0.00 O1- ATOM 0 H GLU A 40 -1.804 -12.180 -7.978 1.00 0.00 H new ATOM 0 HA GLU A 40 0.742 -12.967 -6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.222 -13.474 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.463 -13.882 -9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.050 -11.521 -9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.631 -11.351 -10.311 1.00 0.00 H new ATOM 656 N ALA A 41 0.433 -9.938 -8.103 1.00 0.00 N ATOM 657 CA ALA A 41 1.125 -8.660 -8.238 1.00 0.00 C ATOM 658 C ALA A 41 1.590 -8.153 -6.892 1.00 0.00 C ATOM 659 O ALA A 41 2.704 -7.648 -6.760 1.00 0.00 O ATOM 660 CB ALA A 41 0.212 -7.617 -8.886 1.00 0.00 C ATOM 0 H ALA A 41 -0.573 -9.897 -8.264 1.00 0.00 H new ATOM 0 HA ALA A 41 1.994 -8.821 -8.875 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.747 -6.672 -8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.088 -7.961 -9.876 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.674 -7.474 -8.267 1.00 0.00 H new ATOM 666 N TYR A 42 0.736 -8.291 -5.893 1.00 0.00 N ATOM 667 CA TYR A 42 1.097 -7.833 -4.570 1.00 0.00 C ATOM 668 C TYR A 42 2.246 -8.662 -4.049 1.00 0.00 C ATOM 669 O TYR A 42 3.156 -8.157 -3.402 1.00 0.00 O ATOM 670 CB TYR A 42 -0.074 -7.967 -3.601 1.00 0.00 C ATOM 671 CG TYR A 42 0.293 -7.226 -2.339 1.00 0.00 C ATOM 672 CD1 TYR A 42 0.020 -5.865 -2.254 1.00 0.00 C ATOM 673 CD2 TYR A 42 0.938 -7.882 -1.282 1.00 0.00 C ATOM 674 CE1 TYR A 42 0.389 -5.142 -1.114 1.00 0.00 C ATOM 675 CE2 TYR A 42 1.302 -7.165 -0.136 1.00 0.00 C ATOM 676 CZ TYR A 42 1.032 -5.793 -0.055 1.00 0.00 C ATOM 677 OH TYR A 42 1.412 -5.081 1.065 1.00 0.00 O ATOM 0 H TYR A 42 -0.192 -8.707 -5.972 1.00 0.00 H new ATOM 0 HA TYR A 42 1.379 -6.783 -4.642 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.982 -7.553 -4.038 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.274 -9.016 -3.385 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.479 -5.364 -3.071 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.154 -8.938 -1.351 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.178 -4.085 -1.052 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.790 -7.669 0.685 1.00 0.00 H new ATOM 0 HH TYR A 42 1.844 -5.684 1.705 1.00 0.00 H new ATOM 687 N LEU A 43 2.167 -9.950 -4.322 1.00 0.00 N ATOM 688 CA LEU A 43 3.195 -10.885 -3.859 1.00 0.00 C ATOM 689 C LEU A 43 4.550 -10.602 -4.469 1.00 0.00 C ATOM 690 O LEU A 43 5.545 -10.544 -3.763 1.00 0.00 O ATOM 691 CB LEU A 43 2.800 -12.306 -4.216 1.00 0.00 C ATOM 692 CG LEU A 43 1.650 -12.780 -3.305 1.00 0.00 C ATOM 693 CD1 LEU A 43 1.084 -14.109 -3.835 1.00 0.00 C ATOM 694 CD2 LEU A 43 2.141 -12.967 -1.847 1.00 0.00 C ATOM 0 H LEU A 43 1.411 -10.378 -4.857 1.00 0.00 H new ATOM 0 HA LEU A 43 3.270 -10.759 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.491 -12.355 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.658 -12.969 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 43 0.869 -12.019 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.271 -14.442 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.707 -13.966 -4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.872 -14.862 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.312 -13.302 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.936 -13.712 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.521 -12.019 -1.467 1.00 0.00 H new ATOM 706 N VAL A 44 4.588 -10.427 -5.771 1.00 0.00 N ATOM 707 CA VAL A 44 5.847 -10.152 -6.431 1.00 0.00 C ATOM 708 C VAL A 44 6.405 -8.878 -5.845 1.00 0.00 C ATOM 709 O VAL A 44 7.593 -8.768 -5.551 1.00 0.00 O ATOM 710 CB VAL A 44 5.617 -9.990 -7.932 1.00 0.00 C ATOM 711 CG1 VAL A 44 6.899 -9.495 -8.600 1.00 0.00 C ATOM 712 CG2 VAL A 44 5.212 -11.342 -8.523 1.00 0.00 C ATOM 0 H VAL A 44 3.776 -10.469 -6.387 1.00 0.00 H new ATOM 0 HA VAL A 44 6.549 -10.972 -6.281 1.00 0.00 H new ATOM 0 HB VAL A 44 4.825 -9.262 -8.106 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.731 -9.381 -9.671 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.184 -8.534 -8.173 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.698 -10.217 -8.433 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.046 -11.235 -9.595 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.007 -12.068 -8.349 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.295 -11.687 -8.046 1.00 0.00 H new ATOM 722 N GLY A 45 5.513 -7.931 -5.652 1.00 0.00 N ATOM 723 CA GLY A 45 5.885 -6.657 -5.066 1.00 0.00 C ATOM 724 C GLY A 45 6.400 -6.849 -3.644 1.00 0.00 C ATOM 725 O GLY A 45 7.359 -6.210 -3.237 1.00 0.00 O ATOM 0 H GLY A 45 4.525 -8.017 -5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.653 -6.181 -5.675 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.024 -5.989 -5.059 1.00 0.00 H new ATOM 729 N LEU A 46 5.746 -7.733 -2.890 1.00 0.00 N ATOM 730 CA LEU A 46 6.136 -7.999 -1.506 1.00 0.00 C ATOM 731 C LEU A 46 7.466 -8.740 -1.458 1.00 0.00 C ATOM 732 O LEU A 46 8.364 -8.404 -0.689 1.00 0.00 O ATOM 733 CB LEU A 46 5.050 -8.864 -0.855 1.00 0.00 C ATOM 734 CG LEU A 46 5.371 -9.173 0.614 1.00 0.00 C ATOM 735 CD1 LEU A 46 5.355 -7.886 1.451 1.00 0.00 C ATOM 736 CD2 LEU A 46 4.315 -10.147 1.145 1.00 0.00 C ATOM 0 H LEU A 46 4.945 -8.276 -3.214 1.00 0.00 H new ATOM 0 HA LEU A 46 6.247 -7.055 -0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.091 -8.350 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.948 -9.797 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 46 6.365 -9.614 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.585 -8.124 2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.101 -7.191 1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.368 -7.427 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.526 -10.379 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.328 -9.691 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.338 -11.065 0.557 1.00 0.00 H new ATOM 748 N LEU A 47 7.556 -9.750 -2.301 1.00 0.00 N ATOM 749 CA LEU A 47 8.738 -10.585 -2.410 1.00 0.00 C ATOM 750 C LEU A 47 9.929 -9.735 -2.820 1.00 0.00 C ATOM 751 O LEU A 47 10.983 -9.764 -2.186 1.00 0.00 O ATOM 752 CB LEU A 47 8.414 -11.691 -3.447 1.00 0.00 C ATOM 753 CG LEU A 47 9.665 -12.192 -4.184 1.00 0.00 C ATOM 754 CD1 LEU A 47 10.636 -12.825 -3.188 1.00 0.00 C ATOM 755 CD2 LEU A 47 9.246 -13.245 -5.212 1.00 0.00 C ATOM 0 H LEU A 47 6.804 -10.017 -2.936 1.00 0.00 H new ATOM 0 HA LEU A 47 9.002 -11.049 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.934 -12.529 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.699 -11.305 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 47 10.154 -11.354 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.521 -13.178 -3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.929 -12.084 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.151 -13.665 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.127 -13.608 -5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.760 -14.078 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.552 -12.801 -5.925 1.00 0.00 H new ATOM 767 N GLU A 48 9.735 -8.957 -3.866 1.00 0.00 N ATOM 768 CA GLU A 48 10.768 -8.075 -4.349 1.00 0.00 C ATOM 769 C GLU A 48 11.049 -6.984 -3.323 1.00 0.00 C ATOM 770 O GLU A 48 12.195 -6.573 -3.142 1.00 0.00 O ATOM 771 CB GLU A 48 10.319 -7.467 -5.671 1.00 0.00 C ATOM 772 CG GLU A 48 10.305 -8.551 -6.749 1.00 0.00 C ATOM 773 CD GLU A 48 9.781 -7.980 -8.061 1.00 0.00 C ATOM 774 OE1 GLU A 48 9.301 -6.858 -8.045 1.00 0.00 O ATOM 775 OE2 GLU A 48 9.867 -8.671 -9.062 1.00 0.00 O1- ATOM 0 H GLU A 48 8.865 -8.921 -4.397 1.00 0.00 H new ATOM 0 HA GLU A 48 11.689 -8.636 -4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.326 -7.031 -5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.992 -6.660 -5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.311 -8.946 -6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.678 -9.384 -6.430 1.00 0.00 H new ATOM 782 N HIS A 49 9.995 -6.510 -2.655 1.00 0.00 N ATOM 783 CA HIS A 49 10.162 -5.456 -1.654 1.00 0.00 C ATOM 784 C HIS A 49 11.007 -5.935 -0.477 1.00 0.00 C ATOM 785 O HIS A 49 11.912 -5.228 -0.034 1.00 0.00 O ATOM 786 CB HIS A 49 8.802 -4.965 -1.150 1.00 0.00 C ATOM 787 CG HIS A 49 9.008 -3.926 -0.081 1.00 0.00 C ATOM 788 ND1 HIS A 49 9.072 -4.251 1.265 1.00 0.00 N ATOM 789 CD2 HIS A 49 9.170 -2.562 -0.145 1.00 0.00 C ATOM 790 CE1 HIS A 49 9.265 -3.110 1.951 1.00 0.00 C ATOM 791 NE2 HIS A 49 9.332 -2.050 1.139 1.00 0.00 N ATOM 0 H HIS A 49 9.036 -6.832 -2.785 1.00 0.00 H new ATOM 0 HA HIS A 49 10.682 -4.629 -2.137 1.00 0.00 H new ATOM 0 HB2 HIS A 49 8.227 -4.544 -1.975 1.00 0.00 H new ATOM 0 HB3 HIS A 49 8.226 -5.801 -0.753 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.171 -1.977 -1.053 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.355 -3.057 3.026 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.472 -1.075 1.404 1.00 0.00 H new ATOM 799 N THR A 50 10.717 -7.134 0.038 1.00 0.00 N ATOM 800 CA THR A 50 11.483 -7.659 1.173 1.00 0.00 C ATOM 801 C THR A 50 12.677 -8.466 0.689 1.00 0.00 C ATOM 802 O THR A 50 12.558 -9.645 0.359 1.00 0.00 O ATOM 803 CB THR A 50 10.602 -8.537 2.063 1.00 0.00 C ATOM 804 OG1 THR A 50 11.412 -9.139 3.064 1.00 0.00 O ATOM 805 CG2 THR A 50 9.904 -9.643 1.243 1.00 0.00 C ATOM 0 H THR A 50 9.976 -7.747 -0.303 1.00 0.00 H new ATOM 0 HA THR A 50 11.839 -6.809 1.754 1.00 0.00 H new ATOM 0 HB THR A 50 9.834 -7.910 2.516 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.855 -9.703 3.640 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.285 -10.250 1.904 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.277 -9.187 0.476 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.656 -10.274 0.769 1.00 0.00 H new ATOM 813 N ASN A 51 13.827 -7.809 0.654 1.00 0.00 N ATOM 814 CA ASN A 51 15.065 -8.443 0.212 1.00 0.00 C ATOM 815 C ASN A 51 16.245 -7.470 0.311 1.00 0.00 C ATOM 816 O ASN A 51 17.394 -7.890 0.442 1.00 0.00 O ATOM 817 CB ASN A 51 14.909 -8.924 -1.237 1.00 0.00 C ATOM 818 CG ASN A 51 16.261 -9.354 -1.805 1.00 0.00 C ATOM 819 OD1 ASN A 51 16.896 -10.266 -1.276 1.00 0.00 O ATOM 820 ND2 ASN A 51 16.737 -8.748 -2.860 1.00 0.00 N ATOM 0 H ASN A 51 13.931 -6.832 0.928 1.00 0.00 H new ATOM 0 HA ASN A 51 15.268 -9.294 0.862 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.209 -9.759 -1.276 1.00 0.00 H new ATOM 0 HB3 ASN A 51 14.488 -8.126 -1.848 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.637 -9.030 -3.248 1.00 0.00 H new ATOM 0 HD22 ASN A 51 16.208 -7.993 -3.296 1.00 0.00 H new ATOM 827 N LEU A 52 15.954 -6.176 0.226 1.00 0.00 N ATOM 828 CA LEU A 52 17.000 -5.157 0.288 1.00 0.00 C ATOM 829 C LEU A 52 17.433 -4.899 1.728 1.00 0.00 C ATOM 830 O LEU A 52 18.479 -4.299 1.974 1.00 0.00 O ATOM 831 CB LEU A 52 16.487 -3.859 -0.330 1.00 0.00 C ATOM 832 CG LEU A 52 16.093 -4.085 -1.799 1.00 0.00 C ATOM 833 CD1 LEU A 52 15.538 -2.779 -2.377 1.00 0.00 C ATOM 834 CD2 LEU A 52 17.315 -4.540 -2.624 1.00 0.00 C ATOM 0 H LEU A 52 15.009 -5.808 0.115 1.00 0.00 H new ATOM 0 HA LEU A 52 17.863 -5.519 -0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.627 -3.496 0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 52 17.257 -3.090 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 52 15.333 -4.865 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 52 15.257 -2.933 -3.419 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.662 -2.472 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 52 16.300 -2.002 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 52 17.017 -4.695 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 52 18.089 -3.774 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 52 17.703 -5.473 -2.215 1.00 0.00 H new ATOM 846 N LEU A 53 16.631 -5.366 2.671 1.00 0.00 N ATOM 847 CA LEU A 53 16.943 -5.196 4.083 1.00 0.00 C ATOM 848 C LEU A 53 18.229 -5.937 4.369 1.00 0.00 C ATOM 849 O LEU A 53 19.040 -5.539 5.195 1.00 0.00 O ATOM 850 CB LEU A 53 15.832 -5.813 4.930 1.00 0.00 C ATOM 851 CG LEU A 53 14.500 -5.156 4.579 1.00 0.00 C ATOM 852 CD1 LEU A 53 13.372 -5.847 5.355 1.00 0.00 C ATOM 853 CD2 LEU A 53 14.532 -3.658 4.933 1.00 0.00 C ATOM 0 H LEU A 53 15.761 -5.865 2.486 1.00 0.00 H new ATOM 0 HA LEU A 53 17.038 -4.136 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.778 -6.887 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 53 16.049 -5.676 5.989 1.00 0.00 H new ATOM 0 HG LEU A 53 14.325 -5.258 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.419 -5.379 5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.339 -6.903 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.555 -5.751 6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 53 13.575 -3.203 4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.715 -3.540 6.001 1.00 0.00 H new ATOM 0 HD23 LEU A 53 15.328 -3.168 4.372 1.00 0.00 H new ATOM 865 N ALA A 54 18.379 -7.038 3.670 1.00 0.00 N ATOM 866 CA ALA A 54 19.545 -7.896 3.826 1.00 0.00 C ATOM 867 C ALA A 54 20.846 -7.149 3.525 1.00 0.00 C ATOM 868 O ALA A 54 21.922 -7.581 3.939 1.00 0.00 O ATOM 869 CB ALA A 54 19.423 -9.093 2.882 1.00 0.00 C ATOM 0 H ALA A 54 17.705 -7.368 2.980 1.00 0.00 H new ATOM 0 HA ALA A 54 19.579 -8.228 4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 54 20.295 -9.737 2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.521 -9.656 3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 54 19.366 -8.740 1.852 1.00 0.00 H new ATOM 875 N LEU A 55 20.753 -6.045 2.793 1.00 0.00 N ATOM 876 CA LEU A 55 21.950 -5.280 2.441 1.00 0.00 C ATOM 877 C LEU A 55 22.637 -4.725 3.685 1.00 0.00 C ATOM 878 O LEU A 55 23.865 -4.735 3.779 1.00 0.00 O ATOM 879 CB LEU A 55 21.586 -4.120 1.506 1.00 0.00 C ATOM 880 CG LEU A 55 21.163 -4.642 0.121 1.00 0.00 C ATOM 881 CD1 LEU A 55 20.563 -3.482 -0.678 1.00 0.00 C ATOM 882 CD2 LEU A 55 22.376 -5.216 -0.647 1.00 0.00 C ATOM 0 H LEU A 55 19.878 -5.662 2.435 1.00 0.00 H new ATOM 0 HA LEU A 55 22.637 -5.958 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 55 20.775 -3.537 1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 55 22.440 -3.450 1.401 1.00 0.00 H new ATOM 0 HG LEU A 55 20.430 -5.438 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 55 20.259 -3.837 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 55 19.695 -3.087 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 55 21.308 -2.694 -0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 55 22.051 -5.578 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 55 23.124 -4.435 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 55 22.809 -6.040 -0.080 1.00 0.00 H new ATOM 894 N HIS A 56 21.845 -4.239 4.636 1.00 0.00 N ATOM 895 CA HIS A 56 22.391 -3.675 5.875 1.00 0.00 C ATOM 896 C HIS A 56 21.668 -4.245 7.088 1.00 0.00 C ATOM 897 O HIS A 56 22.249 -4.373 8.164 1.00 0.00 O ATOM 898 CB HIS A 56 22.241 -2.152 5.864 1.00 0.00 C ATOM 899 CG HIS A 56 23.044 -1.560 6.990 1.00 0.00 C ATOM 900 ND1 HIS A 56 22.570 -1.521 8.292 1.00 0.00 N ATOM 901 CD2 HIS A 56 24.287 -0.979 7.026 1.00 0.00 C ATOM 902 CE1 HIS A 56 23.514 -0.936 9.051 1.00 0.00 C ATOM 903 NE2 HIS A 56 24.583 -0.586 8.328 1.00 0.00 N ATOM 0 H HIS A 56 20.827 -4.222 4.577 1.00 0.00 H new ATOM 0 HA HIS A 56 23.447 -3.939 5.937 1.00 0.00 H new ATOM 0 HB2 HIS A 56 22.581 -1.749 4.910 1.00 0.00 H new ATOM 0 HB3 HIS A 56 21.191 -1.879 5.969 1.00 0.00 H new ATOM 0 HD2 HIS A 56 24.937 -0.847 6.173 1.00 0.00 H new ATOM 0 HE1 HIS A 56 23.420 -0.769 10.114 1.00 0.00 H new ATOM 0 HE2 HIS A 56 25.433 -0.129 8.659 1.00 0.00 H new ATOM 911 N LEU A 57 20.397 -4.583 6.905 1.00 0.00 N ATOM 912 CA LEU A 57 19.593 -5.140 7.992 1.00 0.00 C ATOM 913 C LEU A 57 19.580 -6.662 7.924 1.00 0.00 C ATOM 914 O LEU A 57 19.951 -7.260 6.916 1.00 0.00 O ATOM 915 CB LEU A 57 18.150 -4.607 7.916 1.00 0.00 C ATOM 916 CG LEU A 57 18.037 -3.266 8.659 1.00 0.00 C ATOM 917 CD1 LEU A 57 18.203 -3.469 10.180 1.00 0.00 C ATOM 918 CD2 LEU A 57 19.106 -2.295 8.134 1.00 0.00 C ATOM 0 H LEU A 57 19.901 -4.483 6.020 1.00 0.00 H new ATOM 0 HA LEU A 57 20.040 -4.833 8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 57 17.857 -4.479 6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 57 17.464 -5.332 8.354 1.00 0.00 H new ATOM 0 HG LEU A 57 17.048 -2.846 8.478 1.00 0.00 H new ATOM 0 HD11 LEU A 57 18.120 -2.508 10.687 1.00 0.00 H new ATOM 0 HD12 LEU A 57 17.425 -4.140 10.545 1.00 0.00 H new ATOM 0 HD13 LEU A 57 19.182 -3.903 10.384 1.00 0.00 H new ATOM 0 HD21 LEU A 57 19.025 -1.345 8.662 1.00 0.00 H new ATOM 0 HD22 LEU A 57 20.096 -2.719 8.301 1.00 0.00 H new ATOM 0 HD23 LEU A 57 18.956 -2.131 7.067 1.00 0.00 H new ATOM 930 N VAL A 58 19.145 -7.270 9.018 1.00 0.00 N ATOM 931 CA VAL A 58 19.060 -8.723 9.128 1.00 0.00 C ATOM 932 C VAL A 58 17.631 -9.136 9.501 1.00 0.00 C ATOM 933 O VAL A 58 17.269 -9.109 10.677 1.00 0.00 O ATOM 934 CB VAL A 58 20.017 -9.192 10.223 1.00 0.00 C ATOM 935 CG1 VAL A 58 19.947 -10.710 10.338 1.00 0.00 C ATOM 936 CG2 VAL A 58 21.444 -8.772 9.866 1.00 0.00 C ATOM 0 H VAL A 58 18.841 -6.773 9.855 1.00 0.00 H new ATOM 0 HA VAL A 58 19.327 -9.176 8.173 1.00 0.00 H new ATOM 0 HB VAL A 58 19.734 -8.741 11.174 1.00 0.00 H new ATOM 0 HG11 VAL A 58 20.629 -11.048 11.119 1.00 0.00 H new ATOM 0 HG12 VAL A 58 18.930 -11.009 10.590 1.00 0.00 H new ATOM 0 HG13 VAL A 58 20.232 -11.160 9.387 1.00 0.00 H new ATOM 0 HG21 VAL A 58 22.128 -9.106 10.647 1.00 0.00 H new ATOM 0 HG22 VAL A 58 21.729 -9.224 8.916 1.00 0.00 H new ATOM 0 HG23 VAL A 58 21.493 -7.686 9.781 1.00 0.00 H new ATOM 946 N PRO A 59 16.812 -9.515 8.544 1.00 0.00 N ATOM 947 CA PRO A 59 15.406 -9.932 8.817 1.00 0.00 C ATOM 948 C PRO A 59 15.306 -10.994 9.913 1.00 0.00 C ATOM 949 O PRO A 59 16.082 -11.947 9.945 1.00 0.00 O ATOM 950 CB PRO A 59 14.931 -10.484 7.467 1.00 0.00 C ATOM 951 CG PRO A 59 15.734 -9.733 6.467 1.00 0.00 C ATOM 952 CD PRO A 59 17.110 -9.568 7.105 1.00 0.00 C ATOM 0 HA PRO A 59 14.800 -9.105 9.187 1.00 0.00 H new ATOM 0 HB2 PRO A 59 15.104 -11.558 7.392 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.863 -10.322 7.324 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.799 -10.277 5.525 1.00 0.00 H new ATOM 0 HG3 PRO A 59 15.283 -8.765 6.246 1.00 0.00 H new ATOM 0 HD2 PRO A 59 17.769 -10.401 6.861 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.605 -8.659 6.763 1.00 0.00 H new ATOM 960 N ARG A 60 14.333 -10.814 10.807 1.00 0.00 N ATOM 961 CA ARG A 60 14.104 -11.743 11.913 1.00 0.00 C ATOM 962 C ARG A 60 12.774 -12.465 11.728 1.00 0.00 C ATOM 963 O ARG A 60 12.180 -12.954 12.689 1.00 0.00 O ATOM 964 CB ARG A 60 14.089 -10.971 13.232 1.00 0.00 C ATOM 965 CG ARG A 60 15.455 -10.321 13.462 1.00 0.00 C ATOM 966 CD ARG A 60 15.374 -9.367 14.653 1.00 0.00 C ATOM 967 NE ARG A 60 14.482 -8.254 14.348 1.00 0.00 N ATOM 968 CZ ARG A 60 14.205 -7.325 15.258 1.00 0.00 C ATOM 969 NH1 ARG A 60 14.735 -7.399 16.449 1.00 0.00 N ATOM 970 NH2 ARG A 60 13.404 -6.339 14.960 1.00 0.00 N1+ ATOM 0 H ARG A 60 13.686 -10.026 10.785 1.00 0.00 H new ATOM 0 HA ARG A 60 14.906 -12.480 11.929 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.311 -10.208 13.209 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.852 -11.644 14.056 1.00 0.00 H new ATOM 0 HG2 ARG A 60 16.207 -11.088 13.648 1.00 0.00 H new ATOM 0 HG3 ARG A 60 15.766 -9.779 12.569 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.013 -9.901 15.532 1.00 0.00 H new ATOM 0 HD3 ARG A 60 16.368 -8.990 14.895 1.00 0.00 H new ATOM 0 HE ARG A 60 14.063 -8.187 13.420 1.00 0.00 H new ATOM 0 HH11 ARG A 60 15.362 -8.170 16.681 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.522 -6.686 17.147 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.991 -6.281 14.029 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.191 -5.626 15.658 1.00 0.00 H new ATOM 984 N GLY A 61 12.305 -12.514 10.484 1.00 0.00 N ATOM 985 CA GLY A 61 11.034 -13.161 10.169 1.00 0.00 C ATOM 986 C GLY A 61 11.215 -14.659 9.949 1.00 0.00 C ATOM 987 O GLY A 61 10.381 -15.303 9.319 1.00 0.00 O ATOM 0 H GLY A 61 12.785 -12.114 9.678 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.327 -12.993 10.981 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.605 -12.709 9.275 1.00 0.00 H new ATOM 991 N SER A 62 12.309 -15.204 10.471 1.00 0.00 N ATOM 992 CA SER A 62 12.591 -16.630 10.325 1.00 0.00 C ATOM 993 C SER A 62 11.487 -17.471 10.965 1.00 0.00 C ATOM 994 O SER A 62 11.114 -18.523 10.442 1.00 0.00 O ATOM 995 CB SER A 62 13.931 -16.965 10.979 1.00 0.00 C ATOM 996 OG SER A 62 14.977 -16.321 10.264 1.00 0.00 O ATOM 0 H SER A 62 13.012 -14.684 10.996 1.00 0.00 H new ATOM 0 HA SER A 62 12.634 -16.862 9.261 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.932 -16.640 12.019 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.088 -18.044 10.982 1.00 0.00 H new ATOM 0 HG SER A 62 15.838 -16.533 10.682 1.00 0.00 H new ATOM 1002 N LYS A 63 10.978 -17.007 12.099 1.00 0.00 N ATOM 1003 CA LYS A 63 9.925 -17.724 12.814 1.00 0.00 C ATOM 1004 C LYS A 63 8.674 -17.869 11.947 1.00 0.00 C ATOM 1005 O LYS A 63 7.999 -18.897 11.990 1.00 0.00 O ATOM 1006 CB LYS A 63 9.566 -16.983 14.105 1.00 0.00 C ATOM 1007 CG LYS A 63 10.719 -17.098 15.109 1.00 0.00 C ATOM 1008 CD LYS A 63 10.353 -16.346 16.392 1.00 0.00 C ATOM 1009 CE LYS A 63 11.471 -16.521 17.422 1.00 0.00 C ATOM 1010 NZ LYS A 63 12.730 -15.919 16.898 1.00 0.00 N1+ ATOM 0 H LYS A 63 11.275 -16.139 12.545 1.00 0.00 H new ATOM 0 HA LYS A 63 10.300 -18.719 13.055 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.364 -15.934 13.889 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.655 -17.401 14.534 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.918 -18.146 15.333 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.632 -16.685 14.680 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.205 -15.288 16.176 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.412 -16.724 16.792 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.192 -16.045 18.362 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.622 -17.580 17.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.386 -15.745 17.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.171 -16.572 16.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.513 -15.020 16.423 1.00 0.00 H new ATOM 1024 N ARG A 64 8.377 -16.839 11.161 1.00 0.00 N ATOM 1025 CA ARG A 64 7.211 -16.857 10.280 1.00 0.00 C ATOM 1026 C ARG A 64 5.899 -17.105 11.042 1.00 0.00 C ATOM 1027 O ARG A 64 4.825 -17.060 10.440 1.00 0.00 O ATOM 1028 CB ARG A 64 7.394 -17.941 9.217 1.00 0.00 C ATOM 1029 CG ARG A 64 8.443 -17.501 8.195 1.00 0.00 C ATOM 1030 CD ARG A 64 8.656 -18.617 7.170 1.00 0.00 C ATOM 1031 NE ARG A 64 9.318 -19.757 7.794 1.00 0.00 N ATOM 1032 CZ ARG A 64 9.542 -20.877 7.115 1.00 0.00 C ATOM 1033 NH1 ARG A 64 9.170 -20.970 5.868 1.00 0.00 N ATOM 1034 NH2 ARG A 64 10.134 -21.884 7.697 1.00 0.00 N1+ ATOM 0 H ARG A 64 8.927 -15.981 11.115 1.00 0.00 H new ATOM 0 HA ARG A 64 7.138 -15.873 9.817 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.702 -18.875 9.688 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.445 -18.134 8.716 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.118 -16.589 7.694 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.382 -17.271 8.698 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.697 -18.927 6.755 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.258 -18.248 6.340 1.00 0.00 H new ATOM 0 HE ARG A 64 9.614 -19.693 8.768 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.707 -20.183 5.414 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.342 -21.830 5.347 1.00 0.00 H new ATOM 0 HH21 ARG A 64 10.424 -21.811 8.672 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.306 -22.744 7.177 1.00 0.00 H new ATOM 1048 N ILE A 65 5.973 -17.358 12.356 1.00 0.00 N ATOM 1049 CA ILE A 65 4.770 -17.597 13.162 1.00 0.00 C ATOM 1050 C ILE A 65 4.571 -16.490 14.191 1.00 0.00 C ATOM 1051 O ILE A 65 3.697 -16.579 15.052 1.00 0.00 O ATOM 1052 CB ILE A 65 4.846 -18.951 13.860 1.00 0.00 C ATOM 1053 CG1 ILE A 65 6.100 -19.027 14.724 1.00 0.00 C ATOM 1054 CG2 ILE A 65 4.884 -20.063 12.810 1.00 0.00 C ATOM 1055 CD1 ILE A 65 6.038 -20.287 15.581 1.00 0.00 C ATOM 0 H ILE A 65 6.847 -17.402 12.880 1.00 0.00 H new ATOM 0 HA ILE A 65 3.915 -17.598 12.487 1.00 0.00 H new ATOM 0 HB ILE A 65 3.969 -19.073 14.495 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.990 -19.043 14.095 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.174 -18.144 15.358 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.938 -21.031 13.307 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.982 -20.018 12.200 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.759 -19.933 12.173 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.932 -20.349 16.202 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.155 -20.250 16.219 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.983 -21.164 14.936 1.00 0.00 H new ATOM 1067 N SER A 66 5.384 -15.442 14.092 1.00 0.00 N ATOM 1068 CA SER A 66 5.280 -14.318 15.017 1.00 0.00 C ATOM 1069 C SER A 66 3.910 -13.670 14.892 1.00 0.00 C ATOM 1070 O SER A 66 3.292 -13.287 15.887 1.00 0.00 O ATOM 1071 CB SER A 66 6.351 -13.279 14.694 1.00 0.00 C ATOM 1072 OG SER A 66 7.637 -13.841 14.917 1.00 0.00 O ATOM 0 H SER A 66 6.116 -15.348 13.388 1.00 0.00 H new ATOM 0 HA SER A 66 5.420 -14.687 16.033 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.258 -12.955 13.657 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.215 -12.395 15.317 1.00 0.00 H new ATOM 0 HG SER A 66 8.325 -13.176 14.708 1.00 0.00 H new ATOM 1078 N GLY A 67 3.441 -13.558 13.653 1.00 0.00 N ATOM 1079 CA GLY A 67 2.140 -12.960 13.371 1.00 0.00 C ATOM 1080 C GLY A 67 1.486 -13.669 12.193 1.00 0.00 C ATOM 1081 O GLY A 67 2.142 -14.418 11.468 1.00 0.00 O ATOM 0 H GLY A 67 3.945 -13.875 12.825 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.500 -13.031 14.250 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.258 -11.900 13.148 1.00 0.00 H new ATOM 1085 N LEU A 68 0.192 -13.444 12.014 1.00 0.00 N ATOM 1086 CA LEU A 68 -0.530 -14.085 10.925 1.00 0.00 C ATOM 1087 C LEU A 68 -0.235 -13.377 9.605 1.00 0.00 C ATOM 1088 O LEU A 68 -0.741 -12.282 9.343 1.00 0.00 O ATOM 1089 CB LEU A 68 -2.035 -14.029 11.191 1.00 0.00 C ATOM 1090 CG LEU A 68 -2.420 -15.033 12.285 1.00 0.00 C ATOM 1091 CD1 LEU A 68 -1.758 -14.642 13.612 1.00 0.00 C ATOM 1092 CD2 LEU A 68 -3.943 -15.032 12.450 1.00 0.00 C ATOM 0 H LEU A 68 -0.373 -12.830 12.601 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.205 -15.123 10.861 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.320 -13.022 11.495 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.582 -14.252 10.275 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.079 -16.029 12.001 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.037 -15.360 14.383 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.675 -14.641 13.492 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.091 -13.647 13.906 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.225 -15.743 13.226 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.278 -14.034 12.733 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.411 -15.318 11.508 1.00 0.00 H new ATOM 1104 N ILE A 69 0.569 -14.020 8.775 1.00 0.00 N ATOM 1105 CA ILE A 69 0.917 -13.463 7.476 1.00 0.00 C ATOM 1106 C ILE A 69 -0.346 -13.321 6.636 1.00 0.00 C ATOM 1107 O ILE A 69 -0.538 -12.322 5.943 1.00 0.00 O ATOM 1108 CB ILE A 69 1.932 -14.373 6.753 1.00 0.00 C ATOM 1109 CG1 ILE A 69 3.314 -14.324 7.469 1.00 0.00 C ATOM 1110 CG2 ILE A 69 2.091 -13.895 5.301 1.00 0.00 C ATOM 1111 CD1 ILE A 69 3.431 -15.457 8.501 1.00 0.00 C ATOM 0 H ILE A 69 0.993 -14.926 8.975 1.00 0.00 H new ATOM 0 HA ILE A 69 1.374 -12.484 7.618 1.00 0.00 H new ATOM 0 HB ILE A 69 1.565 -15.399 6.771 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.114 -14.411 6.733 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.439 -13.361 7.963 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.807 -14.534 4.784 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.128 -13.945 4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.451 -12.866 5.294 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.404 -15.405 8.990 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.644 -15.352 9.247 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.329 -16.419 7.999 1.00 0.00 H new ATOM 1123 N TYR A 70 -1.199 -14.339 6.697 1.00 0.00 N ATOM 1124 CA TYR A 70 -2.437 -14.328 5.934 1.00 0.00 C ATOM 1125 C TYR A 70 -3.335 -13.171 6.363 1.00 0.00 C ATOM 1126 O TYR A 70 -3.953 -12.524 5.526 1.00 0.00 O ATOM 1127 CB TYR A 70 -3.183 -15.651 6.123 1.00 0.00 C ATOM 1128 CG TYR A 70 -2.376 -16.778 5.513 1.00 0.00 C ATOM 1129 CD1 TYR A 70 -2.487 -17.053 4.142 1.00 0.00 C ATOM 1130 CD2 TYR A 70 -1.517 -17.547 6.312 1.00 0.00 C ATOM 1131 CE1 TYR A 70 -1.740 -18.091 3.573 1.00 0.00 C ATOM 1132 CE2 TYR A 70 -0.773 -18.586 5.741 1.00 0.00 C ATOM 1133 CZ TYR A 70 -0.885 -18.858 4.372 1.00 0.00 C ATOM 1134 OH TYR A 70 -0.151 -19.883 3.811 1.00 0.00 O ATOM 0 H TYR A 70 -1.055 -15.175 7.263 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.183 -14.199 4.882 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.347 -15.840 7.184 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.165 -15.597 5.653 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.149 -16.464 3.525 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -1.430 -17.337 7.368 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.824 -18.300 2.517 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.112 -19.178 6.357 1.00 0.00 H new ATOM 0 HH TYR A 70 0.392 -20.314 4.504 1.00 0.00 H new ATOM 1144 N GLU A 71 -3.409 -12.904 7.662 1.00 0.00 N ATOM 1145 CA GLU A 71 -4.254 -11.809 8.134 1.00 0.00 C ATOM 1146 C GLU A 71 -3.795 -10.494 7.517 1.00 0.00 C ATOM 1147 O GLU A 71 -4.606 -9.702 7.039 1.00 0.00 O ATOM 1148 CB GLU A 71 -4.197 -11.709 9.664 1.00 0.00 C ATOM 1149 CG GLU A 71 -5.132 -10.591 10.157 1.00 0.00 C ATOM 1150 CD GLU A 71 -4.467 -9.225 10.000 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -3.249 -9.166 10.040 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -5.189 -8.253 9.843 1.00 0.00 O1- ATOM 0 H GLU A 71 -2.910 -13.414 8.391 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.282 -12.010 7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.489 -12.660 10.109 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.175 -11.507 9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.064 -10.614 9.593 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.388 -10.759 11.203 1.00 0.00 H new ATOM 1159 N GLU A 72 -2.486 -10.274 7.526 1.00 0.00 N ATOM 1160 CA GLU A 72 -1.917 -9.056 6.959 1.00 0.00 C ATOM 1161 C GLU A 72 -2.186 -8.955 5.471 1.00 0.00 C ATOM 1162 O GLU A 72 -2.601 -7.918 4.974 1.00 0.00 O ATOM 1163 CB GLU A 72 -0.413 -9.082 7.159 1.00 0.00 C ATOM 1164 CG GLU A 72 -0.081 -8.886 8.640 1.00 0.00 C ATOM 1165 CD GLU A 72 1.412 -9.102 8.872 1.00 0.00 C ATOM 1166 OE1 GLU A 72 2.063 -9.613 7.976 1.00 0.00 O ATOM 1167 OE2 GLU A 72 1.880 -8.751 9.941 1.00 0.00 O1- ATOM 0 H GLU A 72 -1.800 -10.920 7.918 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.377 -8.204 7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.007 -10.031 6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.055 -8.297 6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.365 -7.882 8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.657 -9.585 9.246 1.00 0.00 H new ATOM 1174 N VAL A 73 -1.935 -10.037 4.763 1.00 0.00 N ATOM 1175 CA VAL A 73 -2.140 -10.042 3.334 1.00 0.00 C ATOM 1176 C VAL A 73 -3.605 -9.814 3.024 1.00 0.00 C ATOM 1177 O VAL A 73 -3.954 -9.079 2.121 1.00 0.00 O ATOM 1178 CB VAL A 73 -1.666 -11.375 2.744 1.00 0.00 C ATOM 1179 CG1 VAL A 73 -2.076 -11.469 1.277 1.00 0.00 C ATOM 1180 CG2 VAL A 73 -0.146 -11.460 2.854 1.00 0.00 C ATOM 0 H VAL A 73 -1.592 -10.915 5.151 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.559 -9.237 2.884 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.123 -12.197 3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.736 -12.419 0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.161 -11.407 1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.624 -10.649 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.197 -12.406 2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.305 -10.635 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.147 -11.399 3.902 1.00 0.00 H new ATOM 1190 N ARG A 74 -4.451 -10.455 3.786 1.00 0.00 N ATOM 1191 CA ARG A 74 -5.894 -10.335 3.580 1.00 0.00 C ATOM 1192 C ARG A 74 -6.405 -8.926 3.833 1.00 0.00 C ATOM 1193 O ARG A 74 -7.146 -8.370 3.022 1.00 0.00 O ATOM 1194 CB ARG A 74 -6.632 -11.309 4.497 1.00 0.00 C ATOM 1195 CG ARG A 74 -6.487 -12.725 3.957 1.00 0.00 C ATOM 1196 CD ARG A 74 -7.149 -13.702 4.925 1.00 0.00 C ATOM 1197 NE ARG A 74 -8.564 -13.385 5.070 1.00 0.00 N ATOM 1198 CZ ARG A 74 -9.308 -13.963 6.007 1.00 0.00 C ATOM 1199 NH1 ARG A 74 -8.774 -14.835 6.817 1.00 0.00 N ATOM 1200 NH2 ARG A 74 -10.573 -13.659 6.116 1.00 0.00 N1+ ATOM 0 H ARG A 74 -4.180 -11.067 4.556 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.087 -10.574 2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.228 -11.251 5.508 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.686 -11.038 4.559 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.949 -12.801 2.973 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.433 -12.974 3.834 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.033 -14.722 4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.656 -13.653 5.896 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.992 -12.706 4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.786 -15.073 6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.345 -15.279 7.536 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.990 -12.978 5.482 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.144 -14.103 6.835 1.00 0.00 H new ATOM 1214 N ALA A 75 -6.023 -8.358 4.959 1.00 0.00 N ATOM 1215 CA ALA A 75 -6.474 -7.017 5.297 1.00 0.00 C ATOM 1216 C ALA A 75 -5.831 -5.991 4.377 1.00 0.00 C ATOM 1217 O ALA A 75 -6.394 -4.935 4.097 1.00 0.00 O ATOM 1218 CB ALA A 75 -6.154 -6.679 6.751 1.00 0.00 C ATOM 0 H ALA A 75 -5.410 -8.794 5.649 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.556 -6.987 5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.502 -5.671 6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.654 -7.390 7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.077 -6.734 6.909 1.00 0.00 H new ATOM 1224 N VAL A 76 -4.647 -6.321 3.907 1.00 0.00 N ATOM 1225 CA VAL A 76 -3.926 -5.463 3.007 1.00 0.00 C ATOM 1226 C VAL A 76 -4.573 -5.527 1.638 1.00 0.00 C ATOM 1227 O VAL A 76 -4.728 -4.512 0.960 1.00 0.00 O ATOM 1228 CB VAL A 76 -2.466 -5.900 2.982 1.00 0.00 C ATOM 1229 CG1 VAL A 76 -1.732 -5.205 1.849 1.00 0.00 C ATOM 1230 CG2 VAL A 76 -1.807 -5.520 4.324 1.00 0.00 C ATOM 0 H VAL A 76 -4.164 -7.188 4.140 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.959 -4.424 3.336 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.415 -6.978 2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.690 -5.525 1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.199 -5.465 0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.779 -4.126 1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.762 -5.829 4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.866 -4.441 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.327 -6.022 5.140 1.00 0.00 H new ATOM 1240 N LEU A 77 -4.990 -6.730 1.256 1.00 0.00 N ATOM 1241 CA LEU A 77 -5.666 -6.901 -0.018 1.00 0.00 C ATOM 1242 C LEU A 77 -7.012 -6.225 0.045 1.00 0.00 C ATOM 1243 O LEU A 77 -7.467 -5.627 -0.919 1.00 0.00 O ATOM 1244 CB LEU A 77 -5.849 -8.370 -0.369 1.00 0.00 C ATOM 1245 CG LEU A 77 -4.510 -8.987 -0.794 1.00 0.00 C ATOM 1246 CD1 LEU A 77 -4.707 -10.492 -0.975 1.00 0.00 C ATOM 1247 CD2 LEU A 77 -4.024 -8.372 -2.128 1.00 0.00 C ATOM 0 H LEU A 77 -4.873 -7.584 1.801 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.048 -6.450 -0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.249 -8.909 0.490 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.576 -8.470 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.761 -8.786 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.765 -10.949 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.037 -10.931 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.460 -10.671 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.073 -8.823 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.762 -8.562 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.894 -7.297 -2.007 1.00 0.00 H new ATOM 1259 N LYS A 78 -7.629 -6.311 1.206 1.00 0.00 N ATOM 1260 CA LYS A 78 -8.903 -5.695 1.431 1.00 0.00 C ATOM 1261 C LYS A 78 -8.798 -4.213 1.135 1.00 0.00 C ATOM 1262 O LYS A 78 -9.650 -3.639 0.464 1.00 0.00 O ATOM 1263 CB LYS A 78 -9.285 -5.944 2.884 1.00 0.00 C ATOM 1264 CG LYS A 78 -10.473 -5.100 3.266 1.00 0.00 C ATOM 1265 CD LYS A 78 -11.019 -5.563 4.614 1.00 0.00 C ATOM 1266 CE LYS A 78 -12.143 -4.629 5.028 1.00 0.00 C ATOM 1267 NZ LYS A 78 -12.714 -5.075 6.329 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.255 -6.811 2.013 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.670 -6.112 0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.518 -6.999 3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.441 -5.711 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.184 -4.051 3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.247 -5.178 2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.385 -6.587 4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.228 -5.559 5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.768 -3.609 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.920 -4.618 4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.483 -4.433 6.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.087 -6.041 6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.971 -5.063 7.057 1.00 0.00 H new ATOM 1281 N SER A 79 -7.726 -3.608 1.607 1.00 0.00 N ATOM 1282 CA SER A 79 -7.497 -2.201 1.349 1.00 0.00 C ATOM 1283 C SER A 79 -7.386 -1.964 -0.151 1.00 0.00 C ATOM 1284 O SER A 79 -7.989 -1.038 -0.692 1.00 0.00 O ATOM 1285 CB SER A 79 -6.227 -1.753 2.061 1.00 0.00 C ATOM 1286 OG SER A 79 -5.868 -0.450 1.624 1.00 0.00 O ATOM 0 H SER A 79 -7.005 -4.064 2.167 1.00 0.00 H new ATOM 0 HA SER A 79 -8.335 -1.617 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.383 -1.755 3.140 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.417 -2.452 1.855 1.00 0.00 H new ATOM 0 HG SER A 79 -5.052 -0.164 2.085 1.00 0.00 H new ATOM 1292 N PHE A 80 -6.631 -2.828 -0.818 1.00 0.00 N ATOM 1293 CA PHE A 80 -6.469 -2.733 -2.256 1.00 0.00 C ATOM 1294 C PHE A 80 -7.818 -2.888 -2.954 1.00 0.00 C ATOM 1295 O PHE A 80 -8.198 -2.064 -3.774 1.00 0.00 O ATOM 1296 CB PHE A 80 -5.494 -3.825 -2.728 1.00 0.00 C ATOM 1297 CG PHE A 80 -5.633 -4.023 -4.217 1.00 0.00 C ATOM 1298 CD1 PHE A 80 -5.199 -3.028 -5.087 1.00 0.00 C ATOM 1299 CD2 PHE A 80 -6.236 -5.185 -4.717 1.00 0.00 C ATOM 1300 CE1 PHE A 80 -5.366 -3.184 -6.462 1.00 0.00 C ATOM 1301 CE2 PHE A 80 -6.397 -5.347 -6.096 1.00 0.00 C ATOM 1302 CZ PHE A 80 -5.965 -4.344 -6.972 1.00 0.00 C ATOM 0 H PHE A 80 -6.124 -3.599 -0.384 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.065 -1.753 -2.510 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.470 -3.542 -2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.700 -4.760 -2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.733 -2.135 -4.697 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.576 -5.954 -4.038 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.033 -2.409 -7.136 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.854 -6.245 -6.485 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.093 -4.464 -8.038 1.00 0.00 H new ATOM 1312 N LEU A 81 -8.530 -3.955 -2.624 1.00 0.00 N ATOM 1313 CA LEU A 81 -9.821 -4.210 -3.239 1.00 0.00 C ATOM 1314 C LEU A 81 -10.780 -3.054 -2.969 1.00 0.00 C ATOM 1315 O LEU A 81 -11.443 -2.572 -3.873 1.00 0.00 O ATOM 1316 CB LEU A 81 -10.436 -5.482 -2.650 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.662 -6.731 -3.101 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -10.176 -7.943 -2.307 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.847 -6.976 -4.616 1.00 0.00 C ATOM 0 H LEU A 81 -8.238 -4.652 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.667 -4.321 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.432 -5.421 -1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.477 -5.564 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.599 -6.582 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.635 -8.837 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.017 -7.774 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.241 -8.078 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.290 -7.865 -4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.905 -7.121 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.477 -6.115 -5.172 1.00 0.00 H new ATOM 1331 N GLU A 82 -10.844 -2.613 -1.720 1.00 0.00 N ATOM 1332 CA GLU A 82 -11.739 -1.520 -1.350 1.00 0.00 C ATOM 1333 C GLU A 82 -11.426 -0.263 -2.146 1.00 0.00 C ATOM 1334 O GLU A 82 -12.317 0.365 -2.718 1.00 0.00 O ATOM 1335 CB GLU A 82 -11.558 -1.233 0.138 1.00 0.00 C ATOM 1336 CG GLU A 82 -12.164 -2.376 0.961 1.00 0.00 C ATOM 1337 CD GLU A 82 -13.674 -2.199 1.086 1.00 0.00 C ATOM 1338 OE1 GLU A 82 -14.190 -1.254 0.513 1.00 0.00 O ATOM 1339 OE2 GLU A 82 -14.291 -3.006 1.761 1.00 0.00 O1- ATOM 0 H GLU A 82 -10.292 -2.990 -0.950 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.766 -1.812 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.499 -1.125 0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.039 -0.290 0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.942 -3.332 0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.711 -2.399 1.952 1.00 0.00 H new ATOM 1346 N SER A 83 -10.154 0.084 -2.195 1.00 0.00 N ATOM 1347 CA SER A 83 -9.725 1.257 -2.946 1.00 0.00 C ATOM 1348 C SER A 83 -10.000 1.072 -4.424 1.00 0.00 C ATOM 1349 O SER A 83 -10.357 2.017 -5.126 1.00 0.00 O ATOM 1350 CB SER A 83 -8.234 1.501 -2.750 1.00 0.00 C ATOM 1351 OG SER A 83 -7.846 2.651 -3.488 1.00 0.00 O ATOM 0 H SER A 83 -9.402 -0.423 -1.729 1.00 0.00 H new ATOM 0 HA SER A 83 -10.287 2.114 -2.575 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.013 1.642 -1.692 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.665 0.633 -3.082 1.00 0.00 H new ATOM 0 HG SER A 83 -6.887 2.812 -3.363 1.00 0.00 H new ATOM 1357 N VAL A 84 -9.800 -0.146 -4.898 1.00 0.00 N ATOM 1358 CA VAL A 84 -9.993 -0.443 -6.300 1.00 0.00 C ATOM 1359 C VAL A 84 -11.422 -0.153 -6.707 1.00 0.00 C ATOM 1360 O VAL A 84 -11.671 0.399 -7.769 1.00 0.00 O ATOM 1361 CB VAL A 84 -9.645 -1.908 -6.575 1.00 0.00 C ATOM 1362 CG1 VAL A 84 -10.092 -2.297 -7.994 1.00 0.00 C ATOM 1363 CG2 VAL A 84 -8.117 -2.118 -6.430 1.00 0.00 C ATOM 0 H VAL A 84 -9.505 -0.941 -4.331 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.332 0.192 -6.890 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.165 -2.539 -5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.841 -3.341 -8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.170 -2.161 -8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.583 -1.665 -8.722 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.873 -3.162 -6.626 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -7.593 -1.482 -7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -7.808 -1.858 -5.418 1.00 0.00 H new ATOM 1373 N ILE A 85 -12.351 -0.535 -5.858 1.00 0.00 N ATOM 1374 CA ILE A 85 -13.754 -0.313 -6.125 1.00 0.00 C ATOM 1375 C ILE A 85 -14.028 1.166 -6.168 1.00 0.00 C ATOM 1376 O ILE A 85 -14.748 1.654 -7.033 1.00 0.00 O ATOM 1377 CB ILE A 85 -14.570 -0.941 -5.018 1.00 0.00 C ATOM 1378 CG1 ILE A 85 -14.336 -2.447 -5.071 1.00 0.00 C ATOM 1379 CG2 ILE A 85 -16.065 -0.622 -5.210 1.00 0.00 C ATOM 1380 CD1 ILE A 85 -14.962 -3.128 -3.859 1.00 0.00 C ATOM 0 H ILE A 85 -12.158 -1.003 -4.973 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.022 -0.759 -7.083 1.00 0.00 H new ATOM 0 HB ILE A 85 -14.269 -0.544 -4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -14.764 -2.855 -5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -13.266 -2.654 -5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -16.641 -1.080 -4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -16.212 0.458 -5.192 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -16.401 -1.018 -6.168 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -14.785 -4.202 -3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -14.514 -2.732 -2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -16.035 -2.937 -3.848 1.00 0.00 H new ATOM 1392 N ARG A 86 -13.447 1.881 -5.220 1.00 0.00 N ATOM 1393 CA ARG A 86 -13.641 3.307 -5.168 1.00 0.00 C ATOM 1394 C ARG A 86 -13.087 3.947 -6.426 1.00 0.00 C ATOM 1395 O ARG A 86 -13.688 4.857 -6.987 1.00 0.00 O ATOM 1396 CB ARG A 86 -12.955 3.866 -3.916 1.00 0.00 C ATOM 1397 CG ARG A 86 -13.805 3.558 -2.666 1.00 0.00 C ATOM 1398 CD ARG A 86 -14.864 4.650 -2.459 1.00 0.00 C ATOM 1399 NE ARG A 86 -14.221 5.921 -2.145 1.00 0.00 N ATOM 1400 CZ ARG A 86 -14.926 7.044 -2.049 1.00 0.00 C ATOM 1401 NH1 ARG A 86 -16.217 7.019 -2.234 1.00 0.00 N ATOM 1402 NH2 ARG A 86 -14.327 8.167 -1.768 1.00 0.00 N1+ ATOM 0 H ARG A 86 -12.847 1.499 -4.489 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.705 3.536 -5.113 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.963 3.427 -3.808 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.818 4.943 -4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.290 2.588 -2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.163 3.494 -1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -15.471 4.753 -3.358 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.538 4.365 -1.651 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.212 5.949 -1.996 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -16.684 6.139 -2.452 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.759 7.880 -2.161 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.318 8.184 -1.622 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.868 9.029 -1.694 1.00 0.00 H new ATOM 1416 N ASP A 87 -11.948 3.450 -6.874 1.00 0.00 N ATOM 1417 CA ASP A 87 -11.325 3.966 -8.078 1.00 0.00 C ATOM 1418 C ASP A 87 -12.059 3.498 -9.328 1.00 0.00 C ATOM 1419 O ASP A 87 -12.117 4.191 -10.339 1.00 0.00 O ATOM 1420 CB ASP A 87 -9.876 3.488 -8.134 1.00 0.00 C ATOM 1421 CG ASP A 87 -9.042 4.212 -7.083 1.00 0.00 C ATOM 1422 OD1 ASP A 87 -9.526 5.193 -6.543 1.00 0.00 O ATOM 1423 OD2 ASP A 87 -7.930 3.775 -6.833 1.00 0.00 O1- ATOM 0 H ASP A 87 -11.437 2.691 -6.423 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.367 5.055 -8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.834 2.412 -7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.463 3.671 -9.126 1.00 0.00 H new ATOM 1428 N SER A 88 -12.579 2.294 -9.242 1.00 0.00 N ATOM 1429 CA SER A 88 -13.275 1.666 -10.360 1.00 0.00 C ATOM 1430 C SER A 88 -14.633 2.281 -10.578 1.00 0.00 C ATOM 1431 O SER A 88 -15.026 2.564 -11.702 1.00 0.00 O ATOM 1432 CB SER A 88 -13.429 0.167 -10.123 1.00 0.00 C ATOM 1433 OG SER A 88 -12.142 -0.432 -10.040 1.00 0.00 O ATOM 0 H SER A 88 -12.536 1.718 -8.401 1.00 0.00 H new ATOM 0 HA SER A 88 -12.672 1.831 -11.253 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.986 -0.012 -9.203 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.001 -0.284 -10.934 1.00 0.00 H new ATOM 0 HG SER A 88 -11.841 -0.432 -9.108 1.00 0.00 H new ATOM 1439 N VAL A 89 -15.335 2.504 -9.489 1.00 0.00 N ATOM 1440 CA VAL A 89 -16.633 3.114 -9.563 1.00 0.00 C ATOM 1441 C VAL A 89 -16.422 4.518 -10.072 1.00 0.00 C ATOM 1442 O VAL A 89 -17.196 5.036 -10.860 1.00 0.00 O ATOM 1443 CB VAL A 89 -17.303 3.120 -8.184 1.00 0.00 C ATOM 1444 CG1 VAL A 89 -18.607 3.906 -8.263 1.00 0.00 C ATOM 1445 CG2 VAL A 89 -17.603 1.680 -7.746 1.00 0.00 C ATOM 0 H VAL A 89 -15.025 2.271 -8.546 1.00 0.00 H new ATOM 0 HA VAL A 89 -17.293 2.559 -10.230 1.00 0.00 H new ATOM 0 HB VAL A 89 -16.635 3.585 -7.459 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -19.087 3.913 -7.285 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -18.396 4.930 -8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -19.271 3.437 -8.990 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -18.079 1.690 -6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -18.271 1.211 -8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -16.673 1.115 -7.692 1.00 0.00 H new ATOM 1455 N THR A 90 -15.336 5.111 -9.610 1.00 0.00 N ATOM 1456 CA THR A 90 -14.972 6.454 -10.000 1.00 0.00 C ATOM 1457 C THR A 90 -14.702 6.563 -11.498 1.00 0.00 C ATOM 1458 O THR A 90 -15.233 7.450 -12.166 1.00 0.00 O ATOM 1459 CB THR A 90 -13.733 6.870 -9.204 1.00 0.00 C ATOM 1460 OG1 THR A 90 -14.080 6.991 -7.832 1.00 0.00 O ATOM 1461 CG2 THR A 90 -13.188 8.203 -9.722 1.00 0.00 C ATOM 0 H THR A 90 -14.686 4.674 -8.956 1.00 0.00 H new ATOM 0 HA THR A 90 -15.807 7.120 -9.782 1.00 0.00 H new ATOM 0 HB THR A 90 -12.959 6.111 -9.323 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.612 6.303 -7.314 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.307 8.485 -9.145 1.00 0.00 H new ATOM 0 HG22 THR A 90 -12.917 8.101 -10.773 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.952 8.974 -9.617 1.00 0.00 H new ATOM 1469 N TYR A 91 -13.884 5.660 -12.022 1.00 0.00 N ATOM 1470 CA TYR A 91 -13.567 5.672 -13.446 1.00 0.00 C ATOM 1471 C TYR A 91 -14.764 5.210 -14.249 1.00 0.00 C ATOM 1472 O TYR A 91 -15.028 5.721 -15.337 1.00 0.00 O ATOM 1473 CB TYR A 91 -12.360 4.770 -13.747 1.00 0.00 C ATOM 1474 CG TYR A 91 -11.061 5.496 -13.435 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -10.727 6.660 -14.144 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -10.191 5.013 -12.442 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -9.534 7.337 -13.864 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -9.000 5.695 -12.164 1.00 0.00 C ATOM 1479 CZ TYR A 91 -8.672 6.855 -12.873 1.00 0.00 C ATOM 1480 OH TYR A 91 -7.496 7.523 -12.596 1.00 0.00 O ATOM 0 H TYR A 91 -13.431 4.917 -11.490 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.314 6.694 -13.729 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -12.424 3.857 -13.155 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.374 4.472 -14.795 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.392 7.035 -14.908 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.441 4.117 -11.894 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.279 8.231 -14.413 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.333 5.324 -11.400 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.612 8.479 -12.777 1.00 0.00 H new ATOM 1490 N THR A 92 -15.495 4.246 -13.715 1.00 0.00 N ATOM 1491 CA THR A 92 -16.662 3.762 -14.425 1.00 0.00 C ATOM 1492 C THR A 92 -17.703 4.855 -14.424 1.00 0.00 C ATOM 1493 O THR A 92 -18.255 5.203 -15.461 1.00 0.00 O ATOM 1494 CB THR A 92 -17.223 2.506 -13.764 1.00 0.00 C ATOM 1495 OG1 THR A 92 -17.376 2.747 -12.389 1.00 0.00 O ATOM 1496 CG2 THR A 92 -16.289 1.318 -13.987 1.00 0.00 C ATOM 0 H THR A 92 -15.308 3.795 -12.819 1.00 0.00 H new ATOM 0 HA THR A 92 -16.383 3.502 -15.446 1.00 0.00 H new ATOM 0 HB THR A 92 -18.189 2.265 -14.208 1.00 0.00 H new ATOM 0 HG1 THR A 92 -16.626 2.348 -11.901 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.706 0.432 -13.508 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.181 1.136 -15.056 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.312 1.537 -13.556 1.00 0.00 H new ATOM 1504 N GLU A 93 -17.921 5.442 -13.260 1.00 0.00 N ATOM 1505 CA GLU A 93 -18.859 6.540 -13.164 1.00 0.00 C ATOM 1506 C GLU A 93 -18.374 7.691 -14.025 1.00 0.00 C ATOM 1507 O GLU A 93 -19.172 8.398 -14.640 1.00 0.00 O ATOM 1508 CB GLU A 93 -19.014 6.995 -11.725 1.00 0.00 C ATOM 1509 CG GLU A 93 -19.826 5.955 -10.953 1.00 0.00 C ATOM 1510 CD GLU A 93 -21.293 6.033 -11.362 1.00 0.00 C ATOM 1511 OE1 GLU A 93 -21.649 6.985 -12.037 1.00 0.00 O ATOM 1512 OE2 GLU A 93 -22.039 5.140 -10.995 1.00 0.00 O1- ATOM 0 H GLU A 93 -17.469 5.181 -12.384 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.833 6.202 -13.518 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.035 7.124 -11.264 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.513 7.963 -11.689 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -19.437 4.956 -11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.729 6.128 -9.881 1.00 0.00 H new ATOM 1519 N HIS A 94 -17.054 7.865 -14.085 1.00 0.00 N ATOM 1520 CA HIS A 94 -16.497 8.931 -14.904 1.00 0.00 C ATOM 1521 C HIS A 94 -16.947 8.710 -16.329 1.00 0.00 C ATOM 1522 O HIS A 94 -17.277 9.643 -17.059 1.00 0.00 O ATOM 1523 CB HIS A 94 -14.972 8.930 -14.838 1.00 0.00 C ATOM 1524 CG HIS A 94 -14.434 10.087 -15.636 1.00 0.00 C ATOM 1525 ND1 HIS A 94 -14.555 11.399 -15.207 1.00 0.00 N ATOM 1526 CD2 HIS A 94 -13.774 10.144 -16.838 1.00 0.00 C ATOM 1527 CE1 HIS A 94 -13.980 12.184 -16.136 1.00 0.00 C ATOM 1528 NE2 HIS A 94 -13.489 11.470 -17.151 1.00 0.00 N ATOM 0 H HIS A 94 -16.369 7.296 -13.589 1.00 0.00 H new ATOM 0 HA HIS A 94 -16.846 9.895 -14.534 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.642 9.005 -13.802 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.581 7.991 -15.230 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -13.515 9.291 -17.448 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.923 13.260 -16.069 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -13.008 11.821 -17.979 1.00 0.00 H new ATOM 1536 N ALA A 95 -16.980 7.440 -16.689 1.00 0.00 N ATOM 1537 CA ALA A 95 -17.417 7.016 -18.013 1.00 0.00 C ATOM 1538 C ALA A 95 -18.854 6.527 -17.919 1.00 0.00 C ATOM 1539 O ALA A 95 -19.322 5.764 -18.750 1.00 0.00 O ATOM 1540 CB ALA A 95 -16.517 5.891 -18.525 1.00 0.00 C ATOM 0 H ALA A 95 -16.706 6.672 -16.076 1.00 0.00 H new ATOM 0 HA ALA A 95 -17.355 7.854 -18.708 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -16.851 5.580 -19.515 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -15.488 6.246 -18.584 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.570 5.043 -17.842 1.00 0.00 H new ATOM 1546 N LYS A 96 -19.545 6.983 -16.876 1.00 0.00 N ATOM 1547 CA LYS A 96 -20.934 6.600 -16.627 1.00 0.00 C ATOM 1548 C LYS A 96 -21.170 5.137 -16.989 1.00 0.00 C ATOM 1549 O LYS A 96 -22.233 4.754 -17.478 1.00 0.00 O ATOM 1550 CB LYS A 96 -21.939 7.520 -17.365 1.00 0.00 C ATOM 1551 CG LYS A 96 -21.375 8.056 -18.696 1.00 0.00 C ATOM 1552 CD LYS A 96 -21.417 6.966 -19.808 1.00 0.00 C ATOM 1553 CE LYS A 96 -22.550 7.259 -20.802 1.00 0.00 C ATOM 1554 NZ LYS A 96 -22.287 8.556 -21.486 1.00 0.00 N1+ ATOM 0 H LYS A 96 -19.161 7.625 -16.183 1.00 0.00 H new ATOM 0 HA LYS A 96 -21.111 6.725 -15.559 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -22.858 6.968 -17.559 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -22.201 8.359 -16.720 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -21.951 8.925 -19.014 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -20.348 8.390 -18.550 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -20.462 6.936 -20.333 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -21.564 5.984 -19.358 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -22.621 6.456 -21.536 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -23.506 7.298 -20.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -22.666 8.521 -22.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -22.749 9.325 -20.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -21.262 8.728 -21.522 1.00 0.00 H new ATOM 1568 N ARG A 97 -20.167 4.325 -16.710 1.00 0.00 N ATOM 1569 CA ARG A 97 -20.239 2.885 -16.964 1.00 0.00 C ATOM 1570 C ARG A 97 -20.594 2.152 -15.681 1.00 0.00 C ATOM 1571 O ARG A 97 -20.394 2.656 -14.578 1.00 0.00 O ATOM 1572 CB ARG A 97 -18.894 2.332 -17.490 1.00 0.00 C ATOM 1573 CG ARG A 97 -18.725 2.595 -18.996 1.00 0.00 C ATOM 1574 CD ARG A 97 -17.359 2.091 -19.468 1.00 0.00 C ATOM 1575 NE ARG A 97 -17.223 2.313 -20.901 1.00 0.00 N ATOM 1576 CZ ARG A 97 -17.697 1.438 -21.785 1.00 0.00 C ATOM 1577 NH1 ARG A 97 -18.284 0.347 -21.375 1.00 0.00 N ATOM 1578 NH2 ARG A 97 -17.575 1.673 -23.064 1.00 0.00 N1+ ATOM 0 H ARG A 97 -19.284 4.634 -16.304 1.00 0.00 H new ATOM 0 HA ARG A 97 -21.006 2.724 -17.722 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -18.071 2.794 -16.945 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -18.841 1.260 -17.299 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -19.518 2.094 -19.552 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -18.818 3.662 -19.199 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -16.564 2.610 -18.933 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.254 1.030 -19.243 1.00 0.00 H new ATOM 0 HE ARG A 97 -16.755 3.156 -21.234 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -18.380 0.164 -20.376 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -18.647 -0.323 -22.053 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -17.117 2.526 -23.384 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -17.938 1.003 -23.742 1.00 0.00 H new ATOM 1592 N LYS A 98 -21.116 0.949 -15.848 1.00 0.00 N ATOM 1593 CA LYS A 98 -21.487 0.098 -14.734 1.00 0.00 C ATOM 1594 C LYS A 98 -20.930 -1.292 -15.013 1.00 0.00 C ATOM 1595 O LYS A 98 -21.647 -2.190 -15.453 1.00 0.00 O ATOM 1596 CB LYS A 98 -23.011 0.055 -14.616 1.00 0.00 C ATOM 1597 CG LYS A 98 -23.637 0.166 -16.011 1.00 0.00 C ATOM 1598 CD LYS A 98 -25.140 0.111 -15.878 1.00 0.00 C ATOM 1599 CE LYS A 98 -25.785 0.124 -17.264 1.00 0.00 C ATOM 1600 NZ LYS A 98 -25.452 1.400 -17.955 1.00 0.00 N1+ ATOM 0 H LYS A 98 -21.294 0.535 -16.763 1.00 0.00 H new ATOM 0 HA LYS A 98 -21.084 0.478 -13.795 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -23.323 -0.874 -14.139 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -23.360 0.871 -13.983 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -23.335 1.099 -16.487 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -23.285 -0.645 -16.648 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -25.434 -0.790 -15.339 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -25.494 0.961 -15.295 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -25.429 -0.723 -17.850 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -26.866 0.018 -17.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -26.103 1.543 -18.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -25.545 2.191 -17.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -24.475 1.358 -18.309 1.00 0.00 H new ATOM 1614 N THR A 99 -19.633 -1.439 -14.791 1.00 0.00 N ATOM 1615 CA THR A 99 -18.951 -2.694 -15.057 1.00 0.00 C ATOM 1616 C THR A 99 -17.558 -2.689 -14.436 1.00 0.00 C ATOM 1617 O THR A 99 -16.899 -1.649 -14.398 1.00 0.00 O ATOM 1618 CB THR A 99 -18.833 -2.879 -16.571 1.00 0.00 C ATOM 1619 OG1 THR A 99 -20.130 -2.880 -17.149 1.00 0.00 O ATOM 1620 CG2 THR A 99 -18.137 -4.200 -16.871 1.00 0.00 C ATOM 0 H THR A 99 -19.031 -0.701 -14.426 1.00 0.00 H new ATOM 0 HA THR A 99 -19.522 -3.512 -14.619 1.00 0.00 H new ATOM 0 HB THR A 99 -18.249 -2.061 -16.993 1.00 0.00 H new ATOM 0 HG1 THR A 99 -20.796 -3.079 -16.458 1.00 0.00 H new ATOM 0 HG21 THR A 99 -18.054 -4.331 -17.950 1.00 0.00 H new ATOM 0 HG22 THR A 99 -17.141 -4.195 -16.428 1.00 0.00 H new ATOM 0 HG23 THR A 99 -18.717 -5.021 -16.450 1.00 0.00 H new ATOM 1628 N VAL A 100 -17.094 -3.851 -13.980 1.00 0.00 N ATOM 1629 CA VAL A 100 -15.752 -3.951 -13.400 1.00 0.00 C ATOM 1630 C VAL A 100 -14.845 -4.633 -14.409 1.00 0.00 C ATOM 1631 O VAL A 100 -15.125 -5.751 -14.843 1.00 0.00 O ATOM 1632 CB VAL A 100 -15.781 -4.769 -12.105 1.00 0.00 C ATOM 1633 CG1 VAL A 100 -14.393 -4.764 -11.464 1.00 0.00 C ATOM 1634 CG2 VAL A 100 -16.795 -4.149 -11.139 1.00 0.00 C ATOM 0 H VAL A 100 -17.617 -4.726 -13.999 1.00 0.00 H new ATOM 0 HA VAL A 100 -15.384 -2.952 -13.165 1.00 0.00 H new ATOM 0 HB VAL A 100 -16.070 -5.796 -12.328 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.416 -5.346 -10.543 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.672 -5.203 -12.154 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.100 -3.739 -11.238 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -16.819 -4.728 -10.216 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -16.504 -3.122 -10.916 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -17.784 -4.155 -11.597 1.00 0.00 H new ATOM 1644 N THR A 101 -13.770 -3.954 -14.800 1.00 0.00 N ATOM 1645 CA THR A 101 -12.844 -4.508 -15.786 1.00 0.00 C ATOM 1646 C THR A 101 -11.424 -4.511 -15.250 1.00 0.00 C ATOM 1647 O THR A 101 -11.048 -3.657 -14.448 1.00 0.00 O ATOM 1648 CB THR A 101 -12.891 -3.653 -17.058 1.00 0.00 C ATOM 1649 OG1 THR A 101 -12.409 -2.349 -16.763 1.00 0.00 O ATOM 1650 CG2 THR A 101 -14.332 -3.554 -17.566 1.00 0.00 C ATOM 0 H THR A 101 -13.519 -3.028 -14.454 1.00 0.00 H new ATOM 0 HA THR A 101 -13.142 -5.534 -16.003 1.00 0.00 H new ATOM 0 HB THR A 101 -12.270 -4.115 -17.825 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.436 -1.799 -17.574 1.00 0.00 H new ATOM 0 HG21 THR A 101 -14.358 -2.945 -18.470 1.00 0.00 H new ATOM 0 HG22 THR A 101 -14.708 -4.552 -17.790 1.00 0.00 H new ATOM 0 HG23 THR A 101 -14.957 -3.094 -16.800 1.00 0.00 H new ATOM 1658 N SER A 102 -10.636 -5.468 -15.716 1.00 0.00 N ATOM 1659 CA SER A 102 -9.249 -5.562 -15.292 1.00 0.00 C ATOM 1660 C SER A 102 -8.518 -4.305 -15.705 1.00 0.00 C ATOM 1661 O SER A 102 -7.468 -3.960 -15.170 1.00 0.00 O ATOM 1662 CB SER A 102 -8.562 -6.761 -15.944 1.00 0.00 C ATOM 1663 OG SER A 102 -8.513 -6.560 -17.352 1.00 0.00 O ATOM 0 H SER A 102 -10.930 -6.183 -16.381 1.00 0.00 H new ATOM 0 HA SER A 102 -9.226 -5.684 -14.209 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.554 -6.880 -15.546 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.106 -7.677 -15.714 1.00 0.00 H new ATOM 0 HG SER A 102 -8.072 -7.325 -17.777 1.00 0.00 H new ATOM 1669 N LEU A 103 -9.091 -3.636 -16.678 1.00 0.00 N ATOM 1670 CA LEU A 103 -8.520 -2.418 -17.196 1.00 0.00 C ATOM 1671 C LEU A 103 -8.611 -1.307 -16.159 1.00 0.00 C ATOM 1672 O LEU A 103 -7.643 -0.591 -15.912 1.00 0.00 O ATOM 1673 CB LEU A 103 -9.288 -2.036 -18.470 1.00 0.00 C ATOM 1674 CG LEU A 103 -8.602 -2.604 -19.719 1.00 0.00 C ATOM 1675 CD1 LEU A 103 -8.667 -4.137 -19.719 1.00 0.00 C ATOM 1676 CD2 LEU A 103 -9.324 -2.070 -20.952 1.00 0.00 C ATOM 0 H LEU A 103 -9.961 -3.919 -17.129 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.465 -2.565 -17.429 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.309 -2.412 -18.409 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.352 -0.951 -18.548 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.555 -2.301 -19.725 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -8.175 -4.522 -20.612 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.163 -4.523 -18.833 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.709 -4.457 -19.712 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.849 -2.464 -21.851 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -10.368 -2.383 -20.926 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.271 -0.981 -20.961 1.00 0.00 H new ATOM 1688 N ASP A 104 -9.773 -1.170 -15.551 1.00 0.00 N ATOM 1689 CA ASP A 104 -9.957 -0.151 -14.542 1.00 0.00 C ATOM 1690 C ASP A 104 -9.093 -0.500 -13.344 1.00 0.00 C ATOM 1691 O ASP A 104 -8.561 0.376 -12.665 1.00 0.00 O ATOM 1692 CB ASP A 104 -11.437 -0.068 -14.153 1.00 0.00 C ATOM 1693 CG ASP A 104 -11.767 1.315 -13.609 1.00 0.00 C ATOM 1694 OD1 ASP A 104 -10.844 2.028 -13.254 1.00 0.00 O ATOM 1695 OD2 ASP A 104 -12.940 1.643 -13.565 1.00 0.00 O1- ATOM 0 H ASP A 104 -10.594 -1.746 -15.737 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.659 0.825 -14.925 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.060 -0.282 -15.021 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.665 -0.825 -13.402 1.00 0.00 H new ATOM 1700 N VAL A 105 -8.932 -1.798 -13.119 1.00 0.00 N ATOM 1701 CA VAL A 105 -8.091 -2.268 -12.028 1.00 0.00 C ATOM 1702 C VAL A 105 -6.671 -1.809 -12.294 1.00 0.00 C ATOM 1703 O VAL A 105 -5.981 -1.314 -11.405 1.00 0.00 O ATOM 1704 CB VAL A 105 -8.144 -3.792 -11.942 1.00 0.00 C ATOM 1705 CG1 VAL A 105 -7.088 -4.288 -10.947 1.00 0.00 C ATOM 1706 CG2 VAL A 105 -9.541 -4.230 -11.475 1.00 0.00 C ATOM 0 H VAL A 105 -9.368 -2.536 -13.671 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.445 -1.862 -11.080 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.941 -4.219 -12.924 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.127 -5.376 -10.887 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.098 -3.979 -11.283 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.287 -3.863 -9.963 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.580 -5.318 -11.413 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.747 -3.803 -10.493 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.289 -3.880 -12.187 1.00 0.00 H new ATOM 1716 N VAL A 106 -6.262 -1.950 -13.546 1.00 0.00 N ATOM 1717 CA VAL A 106 -4.944 -1.524 -13.965 1.00 0.00 C ATOM 1718 C VAL A 106 -4.793 -0.023 -13.753 1.00 0.00 C ATOM 1719 O VAL A 106 -3.750 0.444 -13.301 1.00 0.00 O ATOM 1720 CB VAL A 106 -4.723 -1.904 -15.437 1.00 0.00 C ATOM 1721 CG1 VAL A 106 -3.534 -1.136 -16.004 1.00 0.00 C ATOM 1722 CG2 VAL A 106 -4.431 -3.407 -15.523 1.00 0.00 C ATOM 0 H VAL A 106 -6.830 -2.358 -14.289 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.186 -2.027 -13.364 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.616 -1.656 -16.010 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.386 -1.413 -17.048 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.727 -0.065 -15.936 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.638 -1.380 -15.434 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.272 -3.688 -16.564 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.536 -3.637 -14.945 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.276 -3.965 -15.121 1.00 0.00 H new ATOM 1732 N TYR A 107 -5.839 0.726 -14.063 1.00 0.00 N ATOM 1733 CA TYR A 107 -5.802 2.163 -13.879 1.00 0.00 C ATOM 1734 C TYR A 107 -5.643 2.457 -12.398 1.00 0.00 C ATOM 1735 O TYR A 107 -4.893 3.348 -12.003 1.00 0.00 O ATOM 1736 CB TYR A 107 -7.104 2.796 -14.378 1.00 0.00 C ATOM 1737 CG TYR A 107 -7.402 2.456 -15.836 1.00 0.00 C ATOM 1738 CD1 TYR A 107 -6.457 1.822 -16.679 1.00 0.00 C ATOM 1739 CD2 TYR A 107 -8.667 2.781 -16.348 1.00 0.00 C ATOM 1740 CE1 TYR A 107 -6.792 1.529 -18.008 1.00 0.00 C ATOM 1741 CE2 TYR A 107 -8.991 2.485 -17.677 1.00 0.00 C ATOM 1742 CZ TYR A 107 -8.055 1.861 -18.506 1.00 0.00 C ATOM 1743 OH TYR A 107 -8.378 1.571 -19.815 1.00 0.00 O ATOM 0 H TYR A 107 -6.715 0.365 -14.440 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.968 2.579 -14.444 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.931 2.457 -13.754 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -7.043 3.879 -14.267 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.480 1.565 -16.298 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -9.395 3.263 -15.713 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.071 1.045 -18.650 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -9.967 2.740 -18.063 1.00 0.00 H new ATOM 0 HH TYR A 107 -9.294 1.867 -19.999 1.00 0.00 H new ATOM 1753 N ALA A 108 -6.349 1.683 -11.582 1.00 0.00 N ATOM 1754 CA ALA A 108 -6.278 1.851 -10.144 1.00 0.00 C ATOM 1755 C ALA A 108 -4.876 1.528 -9.649 1.00 0.00 C ATOM 1756 O ALA A 108 -4.348 2.203 -8.772 1.00 0.00 O ATOM 1757 CB ALA A 108 -7.299 0.951 -9.444 1.00 0.00 C ATOM 0 H ALA A 108 -6.972 0.938 -11.894 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.511 2.889 -9.907 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -7.229 1.092 -8.365 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.303 1.210 -9.780 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.093 -0.091 -9.688 1.00 0.00 H new ATOM 1763 N LEU A 109 -4.280 0.488 -10.224 1.00 0.00 N ATOM 1764 CA LEU A 109 -2.936 0.082 -9.840 1.00 0.00 C ATOM 1765 C LEU A 109 -1.909 1.120 -10.302 1.00 0.00 C ATOM 1766 O LEU A 109 -0.932 1.397 -9.607 1.00 0.00 O ATOM 1767 CB LEU A 109 -2.619 -1.313 -10.448 1.00 0.00 C ATOM 1768 CG LEU A 109 -2.978 -2.456 -9.483 1.00 0.00 C ATOM 1769 CD1 LEU A 109 -3.032 -3.785 -10.251 1.00 0.00 C ATOM 1770 CD2 LEU A 109 -1.916 -2.594 -8.378 1.00 0.00 C ATOM 0 H LEU A 109 -4.705 -0.085 -10.953 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.881 0.015 -8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.172 -1.437 -11.379 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.559 -1.368 -10.697 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.946 -2.225 -9.037 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.287 -4.592 -9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.788 -3.723 -11.034 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.060 -3.985 -10.701 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.192 -3.408 -7.708 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.947 -2.807 -8.829 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.856 -1.664 -7.813 1.00 0.00 H new ATOM 1782 N LYS A 110 -2.140 1.672 -11.483 1.00 0.00 N ATOM 1783 CA LYS A 110 -1.251 2.656 -12.066 1.00 0.00 C ATOM 1784 C LYS A 110 -1.135 3.889 -11.179 1.00 0.00 C ATOM 1785 O LYS A 110 -0.037 4.386 -10.932 1.00 0.00 O ATOM 1786 CB LYS A 110 -1.819 3.070 -13.420 1.00 0.00 C ATOM 1787 CG LYS A 110 -0.864 4.030 -14.118 1.00 0.00 C ATOM 1788 CD LYS A 110 -1.428 4.397 -15.496 1.00 0.00 C ATOM 1789 CE LYS A 110 -0.477 5.366 -16.200 1.00 0.00 C ATOM 1790 NZ LYS A 110 -1.025 5.710 -17.542 1.00 0.00 N1+ ATOM 0 H LYS A 110 -2.950 1.448 -12.062 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.259 2.218 -12.172 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.979 2.188 -14.041 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.791 3.545 -13.285 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.730 4.929 -13.516 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.118 3.569 -14.226 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.558 3.498 -16.098 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.412 4.853 -15.387 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.353 6.270 -15.603 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.510 4.914 -16.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.379 6.369 -18.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -1.121 4.844 -18.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.957 6.157 -17.432 1.00 0.00 H new ATOM 1804 N ARG A 111 -2.273 4.384 -10.703 1.00 0.00 N ATOM 1805 CA ARG A 111 -2.278 5.557 -9.855 1.00 0.00 C ATOM 1806 C ARG A 111 -1.744 5.222 -8.484 1.00 0.00 C ATOM 1807 O ARG A 111 -1.347 6.103 -7.721 1.00 0.00 O ATOM 1808 CB ARG A 111 -3.690 6.133 -9.758 1.00 0.00 C ATOM 1809 CG ARG A 111 -4.638 5.097 -9.172 1.00 0.00 C ATOM 1810 CD ARG A 111 -6.044 5.692 -9.076 1.00 0.00 C ATOM 1811 NE ARG A 111 -6.032 6.874 -8.210 1.00 0.00 N ATOM 1812 CZ ARG A 111 -6.061 8.118 -8.699 1.00 0.00 C ATOM 1813 NH1 ARG A 111 -6.068 8.329 -9.989 1.00 0.00 N ATOM 1814 NH2 ARG A 111 -6.071 9.134 -7.879 1.00 0.00 N1+ ATOM 0 H ARG A 111 -3.195 3.990 -10.892 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.627 6.310 -10.299 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.685 7.027 -9.134 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -4.036 6.436 -10.746 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.651 4.204 -9.798 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.293 4.789 -8.185 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.401 5.963 -10.069 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -6.736 4.948 -8.680 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.000 6.743 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -6.051 7.540 -10.635 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -6.090 9.283 -10.350 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -6.057 8.976 -6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -6.093 10.085 -8.246 1.00 0.00 H new ATOM 1828 N GLN A 112 -1.730 3.939 -8.182 1.00 0.00 N ATOM 1829 CA GLN A 112 -1.231 3.478 -6.899 1.00 0.00 C ATOM 1830 C GLN A 112 0.290 3.508 -6.919 1.00 0.00 C ATOM 1831 O GLN A 112 0.948 3.247 -5.911 1.00 0.00 O ATOM 1832 CB GLN A 112 -1.781 2.060 -6.630 1.00 0.00 C ATOM 1833 CG GLN A 112 -2.299 1.905 -5.178 1.00 0.00 C ATOM 1834 CD GLN A 112 -3.418 0.864 -5.126 1.00 0.00 C ATOM 1835 OE1 GLN A 112 -3.167 -0.307 -4.840 1.00 0.00 O ATOM 1836 NE2 GLN A 112 -4.644 1.230 -5.397 1.00 0.00 N ATOM 0 H GLN A 112 -2.057 3.199 -8.803 1.00 0.00 H new ATOM 0 HA GLN A 112 -1.566 4.128 -6.091 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -2.590 1.846 -7.328 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.997 1.326 -6.816 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -1.482 1.604 -4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -2.666 2.863 -4.811 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -4.846 2.202 -5.633 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -5.398 0.544 -5.372 1.00 0.00 H new ATOM 1845 N GLY A 113 0.838 3.861 -8.081 1.00 0.00 N ATOM 1846 CA GLY A 113 2.295 3.966 -8.243 1.00 0.00 C ATOM 1847 C GLY A 113 2.862 2.859 -9.121 1.00 0.00 C ATOM 1848 O GLY A 113 4.078 2.680 -9.195 1.00 0.00 O ATOM 0 H GLY A 113 0.303 4.079 -8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.541 4.934 -8.680 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.771 3.928 -7.263 1.00 0.00 H new ATOM 1852 N ARG A 114 1.988 2.124 -9.800 1.00 0.00 N ATOM 1853 CA ARG A 114 2.431 1.052 -10.683 1.00 0.00 C ATOM 1854 C ARG A 114 2.631 1.601 -12.087 1.00 0.00 C ATOM 1855 O ARG A 114 2.050 2.622 -12.448 1.00 0.00 O ATOM 1856 CB ARG A 114 1.400 -0.082 -10.702 1.00 0.00 C ATOM 1857 CG ARG A 114 1.143 -0.590 -9.268 1.00 0.00 C ATOM 1858 CD ARG A 114 2.248 -1.559 -8.809 1.00 0.00 C ATOM 1859 NE ARG A 114 3.471 -0.831 -8.490 1.00 0.00 N ATOM 1860 CZ ARG A 114 3.603 -0.173 -7.343 1.00 0.00 C ATOM 1861 NH1 ARG A 114 2.631 -0.178 -6.472 1.00 0.00 N ATOM 1862 NH2 ARG A 114 4.706 0.475 -7.086 1.00 0.00 N1+ ATOM 0 H ARG A 114 0.977 2.249 -9.757 1.00 0.00 H new ATOM 0 HA ARG A 114 3.376 0.653 -10.314 1.00 0.00 H new ATOM 0 HB2 ARG A 114 0.468 0.271 -11.143 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.759 -0.900 -11.327 1.00 0.00 H new ATOM 0 HG2 ARG A 114 1.093 0.257 -8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 114 0.176 -1.092 -9.226 1.00 0.00 H new ATOM 0 HD2 ARG A 114 1.911 -2.115 -7.934 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.447 -2.289 -9.593 1.00 0.00 H new ATOM 0 HE ARG A 114 4.240 -0.827 -9.160 1.00 0.00 H new ATOM 0 HH11 ARG A 114 1.770 -0.687 -6.672 1.00 0.00 H new ATOM 0 HH12 ARG A 114 2.732 0.327 -5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.467 0.476 -7.765 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.807 0.980 -6.206 1.00 0.00 H new ATOM 1876 N THR A 115 3.462 0.919 -12.864 1.00 0.00 N ATOM 1877 CA THR A 115 3.759 1.325 -14.225 1.00 0.00 C ATOM 1878 C THR A 115 4.860 2.383 -14.241 1.00 0.00 C ATOM 1879 O THR A 115 5.610 2.491 -15.208 1.00 0.00 O ATOM 1880 CB THR A 115 2.494 1.855 -14.915 1.00 0.00 C ATOM 1881 OG1 THR A 115 1.358 1.175 -14.400 1.00 0.00 O ATOM 1882 CG2 THR A 115 2.586 1.620 -16.422 1.00 0.00 C ATOM 0 H THR A 115 3.946 0.072 -12.567 1.00 0.00 H new ATOM 0 HA THR A 115 4.113 0.453 -14.775 1.00 0.00 H new ATOM 0 HB THR A 115 2.402 2.924 -14.724 1.00 0.00 H new ATOM 0 HG1 THR A 115 1.022 1.650 -13.612 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.685 1.998 -16.905 1.00 0.00 H new ATOM 0 HG22 THR A 115 3.457 2.141 -16.819 1.00 0.00 H new ATOM 0 HG23 THR A 115 2.682 0.552 -16.619 1.00 0.00 H new ATOM 1890 N LEU A 116 4.951 3.152 -13.159 1.00 0.00 N ATOM 1891 CA LEU A 116 5.966 4.198 -13.053 1.00 0.00 C ATOM 1892 C LEU A 116 5.870 5.147 -14.249 1.00 0.00 C ATOM 1893 O LEU A 116 6.120 4.758 -15.390 1.00 0.00 O ATOM 1894 CB LEU A 116 7.376 3.562 -12.987 1.00 0.00 C ATOM 1895 CG LEU A 116 7.821 3.383 -11.525 1.00 0.00 C ATOM 1896 CD1 LEU A 116 6.857 2.436 -10.810 1.00 0.00 C ATOM 1897 CD2 LEU A 116 9.233 2.791 -11.489 1.00 0.00 C ATOM 0 H LEU A 116 4.338 3.072 -12.347 1.00 0.00 H new ATOM 0 HA LEU A 116 5.793 4.768 -12.140 1.00 0.00 H new ATOM 0 HB2 LEU A 116 7.369 2.596 -13.492 1.00 0.00 H new ATOM 0 HB3 LEU A 116 8.091 4.193 -13.516 1.00 0.00 H new ATOM 0 HG LEU A 116 7.819 4.352 -11.025 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.172 2.309 -9.774 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.851 2.855 -10.834 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.859 1.468 -11.311 1.00 0.00 H new ATOM 0 HD21 LEU A 116 9.548 2.664 -10.453 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.234 1.823 -11.990 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.923 3.464 -11.998 1.00 0.00 H new ATOM 1909 N TYR A 117 5.512 6.393 -13.977 1.00 0.00 N ATOM 1910 CA TYR A 117 5.389 7.384 -15.037 1.00 0.00 C ATOM 1911 C TYR A 117 6.757 7.705 -15.624 1.00 0.00 C ATOM 1912 O TYR A 117 6.872 8.099 -16.785 1.00 0.00 O ATOM 1913 CB TYR A 117 4.751 8.663 -14.496 1.00 0.00 C ATOM 1914 CG TYR A 117 3.297 8.411 -14.177 1.00 0.00 C ATOM 1915 CD1 TYR A 117 2.320 8.610 -15.160 1.00 0.00 C ATOM 1916 CD2 TYR A 117 2.927 7.981 -12.898 1.00 0.00 C ATOM 1917 CE1 TYR A 117 0.972 8.379 -14.862 1.00 0.00 C ATOM 1918 CE2 TYR A 117 1.578 7.749 -12.600 1.00 0.00 C ATOM 1919 CZ TYR A 117 0.600 7.948 -13.584 1.00 0.00 C ATOM 1920 OH TYR A 117 -0.728 7.720 -13.290 1.00 0.00 O ATOM 0 H TYR A 117 5.303 6.740 -13.041 1.00 0.00 H new ATOM 0 HA TYR A 117 4.753 6.971 -15.820 1.00 0.00 H new ATOM 0 HB2 TYR A 117 5.278 8.993 -13.601 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.839 9.463 -15.231 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.606 8.941 -16.147 1.00 0.00 H new ATOM 0 HD2 TYR A 117 3.681 7.828 -12.140 1.00 0.00 H new ATOM 0 HE1 TYR A 117 0.218 8.534 -15.620 1.00 0.00 H new ATOM 0 HE2 TYR A 117 1.292 7.417 -11.613 1.00 0.00 H new ATOM 0 HH TYR A 117 -0.811 7.424 -12.359 1.00 0.00 H new ATOM 1930 N GLY A 118 7.795 7.538 -14.807 1.00 0.00 N ATOM 1931 CA GLY A 118 9.169 7.812 -15.239 1.00 0.00 C ATOM 1932 C GLY A 118 9.913 8.657 -14.216 1.00 0.00 C ATOM 1933 O GLY A 118 11.044 9.083 -14.448 1.00 0.00 O ATOM 0 H GLY A 118 7.714 7.215 -13.843 1.00 0.00 H new ATOM 0 HA2 GLY A 118 9.699 6.872 -15.391 1.00 0.00 H new ATOM 0 HA3 GLY A 118 9.154 8.329 -16.199 1.00 0.00 H new ATOM 1937 N PHE A 119 9.272 8.891 -13.084 1.00 0.00 N ATOM 1938 CA PHE A 119 9.881 9.689 -12.023 1.00 0.00 C ATOM 1939 C PHE A 119 11.153 9.020 -11.520 1.00 0.00 C ATOM 1940 O PHE A 119 12.150 9.687 -11.244 1.00 0.00 O ATOM 1941 CB PHE A 119 8.907 9.855 -10.854 1.00 0.00 C ATOM 1942 CG PHE A 119 7.771 10.766 -11.261 1.00 0.00 C ATOM 1943 CD1 PHE A 119 7.976 12.150 -11.319 1.00 0.00 C ATOM 1944 CD2 PHE A 119 6.514 10.231 -11.578 1.00 0.00 C ATOM 1945 CE1 PHE A 119 6.927 12.998 -11.694 1.00 0.00 C ATOM 1946 CE2 PHE A 119 5.466 11.082 -11.952 1.00 0.00 C ATOM 1947 CZ PHE A 119 5.674 12.465 -12.010 1.00 0.00 C ATOM 0 H PHE A 119 8.336 8.545 -12.872 1.00 0.00 H new ATOM 0 HA PHE A 119 10.124 10.669 -12.434 1.00 0.00 H new ATOM 0 HB2 PHE A 119 8.516 8.883 -10.553 1.00 0.00 H new ATOM 0 HB3 PHE A 119 9.427 10.270 -9.991 1.00 0.00 H new ATOM 0 HD1 PHE A 119 8.943 12.563 -11.074 1.00 0.00 H new ATOM 0 HD2 PHE A 119 6.354 9.164 -11.534 1.00 0.00 H new ATOM 0 HE1 PHE A 119 7.086 14.065 -11.739 1.00 0.00 H new ATOM 0 HE2 PHE A 119 4.497 10.671 -12.196 1.00 0.00 H new ATOM 0 HZ PHE A 119 4.866 13.121 -12.299 1.00 0.00 H new ATOM 1957 N GLY A 120 11.116 7.695 -11.406 1.00 0.00 N ATOM 1958 CA GLY A 120 12.276 6.947 -10.936 1.00 0.00 C ATOM 1959 C GLY A 120 13.215 6.629 -12.082 1.00 0.00 C ATOM 1960 O GLY A 120 12.978 5.712 -12.868 1.00 0.00 O ATOM 0 H GLY A 120 10.302 7.122 -11.631 1.00 0.00 H new ATOM 0 HA2 GLY A 120 12.804 7.525 -10.178 1.00 0.00 H new ATOM 0 HA3 GLY A 120 11.949 6.022 -10.461 1.00 0.00 H new ATOM 1964 N GLY A 121 14.287 7.400 -12.159 1.00 0.00 N ATOM 1965 CA GLY A 121 15.279 7.210 -13.200 1.00 0.00 C ATOM 1966 C GLY A 121 14.762 7.701 -14.548 1.00 0.00 C ATOM 1967 O GLY A 121 14.711 6.901 -15.467 1.00 0.00 O ATOM 1968 OXT GLY A 121 14.427 8.870 -14.640 1.00 0.00 O ATOM 0 H GLY A 121 14.491 8.162 -11.513 1.00 0.00 H new ATOM 0 HA2 GLY A 121 16.191 7.747 -12.940 1.00 0.00 H new ATOM 0 HA3 GLY A 121 15.540 6.154 -13.270 1.00 0.00 H new TER 1972 GLY A 121