USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 964 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 16 SER OG : rot 180:sc= -0.657 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -47:sc= 0.979 USER MOD Single : A 3 SER OG : rot 50:sc= 1.01 USER MOD Single : A 5 SER OG : rot -50:sc= 0.996 USER MOD Single : A 6 SER OG : rot 137:sc=0.000161 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -17.7! C(o=-18!,f=-27!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -176:sc= 0 (180deg=-0.0089) USER MOD Single : A 33 TYR OH : rot -59:sc= 0.41 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 40 CYS SG : rot 142:sc= 0.146 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.4) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -9.24! C(o=-9.2!,f=-5!) USER MOD Single : A 58 THR OG1 : rot -55:sc= 1.6 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -147:sc= -0.256 (180deg=-1.65!) USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0166) USER MOD Single : A 70 THR OG1 : rot 180:sc=0.000135 USER MOD Single : A 72 ASN : amide:sc= -1.62 K(o=-1.6,f=-4!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -128:sc= 1.53 USER MOD Single : A 86 THR OG1 : rot -27:sc= 0.243 USER MOD Single : A 88 LYS NZ :NH3+ -132:sc= 0.358 (180deg=-2.59!) USER MOD Single : A 91 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.028) USER MOD Single : A 92 LYS NZ :NH3+ 169:sc= 0.283 (180deg=0.242) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 165:sc= -0.0675 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -0.0205 X(o=-0.021,f=0) USER MOD Single : A 128 SER OG : rot 55:sc= 0.751 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.140 11.076 -5.320 1.00 0.00 N ATOM 2 CA GLY A 1 -13.744 9.696 -5.108 1.00 0.00 C ATOM 3 C GLY A 1 -14.270 9.136 -3.802 1.00 0.00 C ATOM 4 O GLY A 1 -15.477 9.144 -3.556 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.756 11.412 -6.226 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.178 11.140 -5.339 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.771 11.666 -4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.108 9.086 -5.934 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.656 9.628 -5.117 1.00 0.00 H new ATOM 8 N SER A 2 -13.364 8.646 -2.962 1.00 0.00 N ATOM 9 CA SER A 2 -13.744 8.074 -1.676 1.00 0.00 C ATOM 10 C SER A 2 -14.650 6.862 -1.867 1.00 0.00 C ATOM 11 O SER A 2 -15.640 6.695 -1.155 1.00 0.00 O ATOM 12 CB SER A 2 -14.452 9.124 -0.816 1.00 0.00 C ATOM 13 OG SER A 2 -14.836 8.583 0.436 1.00 0.00 O ATOM 0 H SER A 2 -12.361 8.634 -3.149 1.00 0.00 H new ATOM 0 HA SER A 2 -12.836 7.750 -1.168 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.791 9.977 -0.660 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.332 9.495 -1.341 1.00 0.00 H new ATOM 0 HG SER A 2 -15.277 7.719 0.298 1.00 0.00 H new ATOM 19 N SER A 3 -14.302 6.018 -2.833 1.00 0.00 N ATOM 20 CA SER A 3 -15.085 4.822 -3.122 1.00 0.00 C ATOM 21 C SER A 3 -14.600 3.641 -2.288 1.00 0.00 C ATOM 22 O SER A 3 -13.758 2.859 -2.728 1.00 0.00 O ATOM 23 CB SER A 3 -15.001 4.479 -4.610 1.00 0.00 C ATOM 24 OG SER A 3 -13.669 4.179 -4.990 1.00 0.00 O ATOM 0 H SER A 3 -13.483 6.140 -3.429 1.00 0.00 H new ATOM 0 HA SER A 3 -16.124 5.026 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.645 3.627 -4.827 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.371 5.317 -5.201 1.00 0.00 H new ATOM 0 HG SER A 3 -13.292 3.521 -4.369 1.00 0.00 H new ATOM 30 N GLY A 4 -15.138 3.517 -1.078 1.00 0.00 N ATOM 31 CA GLY A 4 -14.749 2.429 -0.200 1.00 0.00 C ATOM 32 C GLY A 4 -14.660 2.859 1.251 1.00 0.00 C ATOM 33 O GLY A 4 -14.474 4.039 1.546 1.00 0.00 O ATOM 0 H GLY A 4 -15.837 4.151 -0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.470 1.617 -0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.784 2.036 -0.519 1.00 0.00 H new ATOM 37 N SER A 5 -14.795 1.899 2.160 1.00 0.00 N ATOM 38 CA SER A 5 -14.735 2.185 3.589 1.00 0.00 C ATOM 39 C SER A 5 -13.353 1.864 4.149 1.00 0.00 C ATOM 40 O SER A 5 -13.227 1.288 5.230 1.00 0.00 O ATOM 41 CB SER A 5 -15.800 1.380 4.337 1.00 0.00 C ATOM 42 OG SER A 5 -15.751 1.640 5.729 1.00 0.00 O ATOM 0 H SER A 5 -14.947 0.916 1.933 1.00 0.00 H new ATOM 0 HA SER A 5 -14.928 3.249 3.730 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.788 1.631 3.951 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.649 0.316 4.157 1.00 0.00 H new ATOM 0 HG SER A 5 -14.830 1.540 6.048 1.00 0.00 H new ATOM 48 N SER A 6 -12.318 2.240 3.405 1.00 0.00 N ATOM 49 CA SER A 6 -10.944 1.989 3.824 1.00 0.00 C ATOM 50 C SER A 6 -10.282 3.274 4.313 1.00 0.00 C ATOM 51 O SER A 6 -9.745 3.328 5.419 1.00 0.00 O ATOM 52 CB SER A 6 -10.136 1.394 2.670 1.00 0.00 C ATOM 53 OG SER A 6 -10.213 2.215 1.517 1.00 0.00 O ATOM 0 H SER A 6 -12.405 2.720 2.509 1.00 0.00 H new ATOM 0 HA SER A 6 -10.967 1.275 4.648 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.095 1.281 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.510 0.397 2.436 1.00 0.00 H new ATOM 0 HG SER A 6 -9.325 2.289 1.108 1.00 0.00 H new ATOM 59 N GLY A 7 -10.325 4.309 3.479 1.00 0.00 N ATOM 60 CA GLY A 7 -9.727 5.580 3.843 1.00 0.00 C ATOM 61 C GLY A 7 -8.716 6.059 2.819 1.00 0.00 C ATOM 62 O GLY A 7 -9.074 6.373 1.684 1.00 0.00 O ATOM 0 H GLY A 7 -10.763 4.290 2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.511 6.329 3.953 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.240 5.484 4.813 1.00 0.00 H new ATOM 66 N ASP A 8 -7.452 6.118 3.222 1.00 0.00 N ATOM 67 CA ASP A 8 -6.386 6.563 2.331 1.00 0.00 C ATOM 68 C ASP A 8 -5.899 5.416 1.451 1.00 0.00 C ATOM 69 O ASP A 8 -5.390 5.636 0.352 1.00 0.00 O ATOM 70 CB ASP A 8 -5.220 7.131 3.141 1.00 0.00 C ATOM 71 CG ASP A 8 -4.280 7.967 2.294 1.00 0.00 C ATOM 72 OD1 ASP A 8 -4.555 9.172 2.114 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.268 7.416 1.813 1.00 0.00 O ATOM 0 H ASP A 8 -7.140 5.864 4.159 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.787 7.346 1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.610 7.741 3.956 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.663 6.311 3.595 1.00 0.00 H new ATOM 78 N VAL A 9 -6.058 4.191 1.942 1.00 0.00 N ATOM 79 CA VAL A 9 -5.635 3.009 1.200 1.00 0.00 C ATOM 80 C VAL A 9 -6.344 2.922 -0.146 1.00 0.00 C ATOM 81 O VAL A 9 -7.572 2.844 -0.208 1.00 0.00 O ATOM 82 CB VAL A 9 -5.908 1.719 1.996 1.00 0.00 C ATOM 83 CG1 VAL A 9 -5.462 0.499 1.205 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.212 1.771 3.348 1.00 0.00 C ATOM 0 H VAL A 9 -6.477 3.991 2.850 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.562 3.106 1.036 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.981 1.639 2.168 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.663 -0.403 1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.009 0.456 0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.394 0.569 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.415 0.852 3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.137 1.875 3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.584 2.623 3.916 1.00 0.00 H new ATOM 94 N ILE A 10 -5.564 2.936 -1.222 1.00 0.00 N ATOM 95 CA ILE A 10 -6.118 2.857 -2.568 1.00 0.00 C ATOM 96 C ILE A 10 -5.969 1.452 -3.142 1.00 0.00 C ATOM 97 O ILE A 10 -4.899 0.849 -3.063 1.00 0.00 O ATOM 98 CB ILE A 10 -5.438 3.862 -3.516 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.604 5.288 -2.987 1.00 0.00 C ATOM 100 CG2 ILE A 10 -6.017 3.741 -4.918 1.00 0.00 C ATOM 101 CD1 ILE A 10 -4.696 6.292 -3.663 1.00 0.00 C ATOM 0 H ILE A 10 -4.547 3.001 -1.188 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.177 3.104 -2.489 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.373 3.633 -3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.640 5.599 -3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.406 5.295 -1.915 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.527 4.457 -5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.853 2.731 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.087 3.948 -4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.867 7.281 -3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.656 6.005 -3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.909 6.314 -4.732 1.00 0.00 H new ATOM 113 N GLU A 11 -7.049 0.937 -3.721 1.00 0.00 N ATOM 114 CA GLU A 11 -7.037 -0.397 -4.310 1.00 0.00 C ATOM 115 C GLU A 11 -6.674 -0.335 -5.791 1.00 0.00 C ATOM 116 O GLU A 11 -7.252 0.443 -6.552 1.00 0.00 O ATOM 117 CB GLU A 11 -8.401 -1.067 -4.136 1.00 0.00 C ATOM 118 CG GLU A 11 -8.342 -2.585 -4.167 1.00 0.00 C ATOM 119 CD GLU A 11 -9.622 -3.229 -3.672 1.00 0.00 C ATOM 120 OE1 GLU A 11 -10.226 -2.695 -2.719 1.00 0.00 O ATOM 121 OE2 GLU A 11 -10.020 -4.269 -4.239 1.00 0.00 O ATOM 0 H GLU A 11 -7.943 1.423 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.281 -0.988 -3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.835 -0.748 -3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.069 -0.722 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.144 -2.916 -5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.508 -2.925 -3.553 1.00 0.00 H new ATOM 128 N LEU A 12 -5.712 -1.159 -6.193 1.00 0.00 N ATOM 129 CA LEU A 12 -5.270 -1.198 -7.582 1.00 0.00 C ATOM 130 C LEU A 12 -5.650 -2.522 -8.237 1.00 0.00 C ATOM 131 O LEU A 12 -6.206 -3.411 -7.590 1.00 0.00 O ATOM 132 CB LEU A 12 -3.756 -0.992 -7.662 1.00 0.00 C ATOM 133 CG LEU A 12 -3.197 0.190 -6.870 1.00 0.00 C ATOM 134 CD1 LEU A 12 -1.677 0.188 -6.911 1.00 0.00 C ATOM 135 CD2 LEU A 12 -3.746 1.502 -7.412 1.00 0.00 C ATOM 0 H LEU A 12 -5.224 -1.809 -5.577 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.769 -0.392 -8.119 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.267 -1.901 -7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.482 -0.864 -8.709 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.512 0.089 -5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.297 1.036 -6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.302 -0.738 -6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.341 0.265 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.338 2.333 -6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.461 1.611 -8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.833 1.503 -7.330 1.00 0.00 H new ATOM 147 N THR A 13 -5.345 -2.649 -9.525 1.00 0.00 N ATOM 148 CA THR A 13 -5.653 -3.865 -10.267 1.00 0.00 C ATOM 149 C THR A 13 -4.457 -4.321 -11.095 1.00 0.00 C ATOM 150 O THR A 13 -3.448 -3.622 -11.183 1.00 0.00 O ATOM 151 CB THR A 13 -6.862 -3.662 -11.200 1.00 0.00 C ATOM 152 OG1 THR A 13 -7.788 -2.744 -10.609 1.00 0.00 O ATOM 153 CG2 THR A 13 -7.559 -4.986 -11.477 1.00 0.00 C ATOM 0 H THR A 13 -4.885 -1.924 -10.076 1.00 0.00 H new ATOM 0 HA THR A 13 -5.896 -4.632 -9.531 1.00 0.00 H new ATOM 0 HB THR A 13 -6.501 -3.255 -12.144 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.553 -2.619 -11.209 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.409 -4.818 -12.138 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.859 -5.673 -11.953 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.908 -5.417 -10.539 1.00 0.00 H new ATOM 161 N ASP A 14 -4.578 -5.497 -11.702 1.00 0.00 N ATOM 162 CA ASP A 14 -3.507 -6.046 -12.525 1.00 0.00 C ATOM 163 C ASP A 14 -3.136 -5.082 -13.648 1.00 0.00 C ATOM 164 O ASP A 14 -2.018 -4.570 -13.696 1.00 0.00 O ATOM 165 CB ASP A 14 -3.926 -7.395 -13.112 1.00 0.00 C ATOM 166 CG ASP A 14 -5.368 -7.399 -13.581 1.00 0.00 C ATOM 167 OD1 ASP A 14 -5.611 -7.043 -14.753 1.00 0.00 O ATOM 168 OD2 ASP A 14 -6.253 -7.758 -12.776 1.00 0.00 O ATOM 0 H ASP A 14 -5.407 -6.088 -11.639 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.633 -6.190 -11.891 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.274 -7.642 -13.950 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.789 -8.173 -12.361 1.00 0.00 H new ATOM 173 N ASP A 15 -4.081 -4.841 -14.550 1.00 0.00 N ATOM 174 CA ASP A 15 -3.854 -3.939 -15.673 1.00 0.00 C ATOM 175 C ASP A 15 -4.144 -2.494 -15.276 1.00 0.00 C ATOM 176 O ASP A 15 -4.449 -1.656 -16.125 1.00 0.00 O ATOM 177 CB ASP A 15 -4.729 -4.340 -16.862 1.00 0.00 C ATOM 178 CG ASP A 15 -4.413 -5.733 -17.369 1.00 0.00 C ATOM 179 OD1 ASP A 15 -3.286 -6.212 -17.123 1.00 0.00 O ATOM 180 OD2 ASP A 15 -5.292 -6.344 -18.013 1.00 0.00 O ATOM 0 H ASP A 15 -5.012 -5.258 -14.525 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.806 -4.014 -15.962 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.778 -4.292 -16.570 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.590 -3.622 -17.670 1.00 0.00 H new ATOM 185 N SER A 16 -4.048 -2.211 -13.981 1.00 0.00 N ATOM 186 CA SER A 16 -4.305 -0.869 -13.472 1.00 0.00 C ATOM 187 C SER A 16 -3.133 -0.374 -12.629 1.00 0.00 C ATOM 188 O SER A 16 -2.864 0.826 -12.563 1.00 0.00 O ATOM 189 CB SER A 16 -5.588 -0.853 -12.639 1.00 0.00 C ATOM 190 OG SER A 16 -6.685 -1.354 -13.383 1.00 0.00 O ATOM 0 H SER A 16 -3.794 -2.892 -13.266 1.00 0.00 H new ATOM 0 HA SER A 16 -4.425 -0.201 -14.325 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.449 -1.454 -11.740 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.801 0.165 -12.312 1.00 0.00 H new ATOM 0 HG SER A 16 -7.493 -1.335 -12.828 1.00 0.00 H new ATOM 196 N PHE A 17 -2.439 -1.308 -11.987 1.00 0.00 N ATOM 197 CA PHE A 17 -1.296 -0.968 -11.148 1.00 0.00 C ATOM 198 C PHE A 17 -0.321 -0.063 -11.896 1.00 0.00 C ATOM 199 O PHE A 17 0.452 0.675 -11.284 1.00 0.00 O ATOM 200 CB PHE A 17 -0.578 -2.239 -10.687 1.00 0.00 C ATOM 201 CG PHE A 17 0.827 -1.997 -10.216 1.00 0.00 C ATOM 202 CD1 PHE A 17 1.814 -1.609 -11.107 1.00 0.00 C ATOM 203 CD2 PHE A 17 1.161 -2.156 -8.881 1.00 0.00 C ATOM 204 CE1 PHE A 17 3.108 -1.386 -10.676 1.00 0.00 C ATOM 205 CE2 PHE A 17 2.453 -1.935 -8.443 1.00 0.00 C ATOM 206 CZ PHE A 17 3.428 -1.548 -9.342 1.00 0.00 C ATOM 0 H PHE A 17 -2.648 -2.305 -12.032 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.666 -0.431 -10.275 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.149 -2.697 -9.880 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.559 -2.954 -11.509 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.569 -1.479 -12.151 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.402 -2.456 -8.174 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.868 -1.085 -11.382 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.700 -2.065 -7.400 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.438 -1.373 -9.003 1.00 0.00 H new ATOM 216 N ASP A 18 -0.364 -0.126 -13.222 1.00 0.00 N ATOM 217 CA ASP A 18 0.514 0.687 -14.055 1.00 0.00 C ATOM 218 C ASP A 18 -0.191 1.962 -14.505 1.00 0.00 C ATOM 219 O ASP A 18 0.452 2.932 -14.907 1.00 0.00 O ATOM 220 CB ASP A 18 0.979 -0.111 -15.274 1.00 0.00 C ATOM 221 CG ASP A 18 1.787 -1.335 -14.891 1.00 0.00 C ATOM 222 OD1 ASP A 18 2.853 -1.170 -14.262 1.00 0.00 O ATOM 223 OD2 ASP A 18 1.353 -2.459 -15.220 1.00 0.00 O ATOM 0 H ASP A 18 -0.998 -0.732 -13.743 1.00 0.00 H new ATOM 0 HA ASP A 18 1.384 0.965 -13.459 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.110 -0.420 -15.855 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.581 0.531 -15.917 1.00 0.00 H new ATOM 228 N LYS A 19 -1.518 1.954 -14.436 1.00 0.00 N ATOM 229 CA LYS A 19 -2.313 3.109 -14.836 1.00 0.00 C ATOM 230 C LYS A 19 -2.567 4.033 -13.649 1.00 0.00 C ATOM 231 O LYS A 19 -3.029 5.161 -13.815 1.00 0.00 O ATOM 232 CB LYS A 19 -3.646 2.655 -15.435 1.00 0.00 C ATOM 233 CG LYS A 19 -4.758 2.515 -14.410 1.00 0.00 C ATOM 234 CD LYS A 19 -6.095 2.232 -15.074 1.00 0.00 C ATOM 235 CE LYS A 19 -6.737 3.506 -15.601 1.00 0.00 C ATOM 236 NZ LYS A 19 -7.805 3.218 -16.597 1.00 0.00 N ATOM 0 H LYS A 19 -2.066 1.159 -14.106 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.751 3.660 -15.590 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.954 3.370 -16.198 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.502 1.698 -15.936 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.517 1.709 -13.718 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.829 3.430 -13.822 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.953 1.529 -15.895 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.764 1.755 -14.358 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.159 4.071 -14.770 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.973 4.135 -16.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.218 4.112 -16.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.398 2.701 -17.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.547 2.639 -16.153 1.00 0.00 H new ATOM 250 N ASN A 20 -2.260 3.546 -12.450 1.00 0.00 N ATOM 251 CA ASN A 20 -2.454 4.329 -11.235 1.00 0.00 C ATOM 252 C ASN A 20 -1.118 4.819 -10.684 1.00 0.00 C ATOM 253 O ASN A 20 -1.031 5.905 -10.112 1.00 0.00 O ATOM 254 CB ASN A 20 -3.179 3.495 -10.177 1.00 0.00 C ATOM 255 CG ASN A 20 -2.742 2.043 -10.185 1.00 0.00 C ATOM 256 OD1 ASN A 20 -1.552 1.741 -10.103 1.00 0.00 O ATOM 257 ND2 ASN A 20 -3.707 1.136 -10.285 1.00 0.00 N ATOM 0 H ASN A 20 -1.876 2.614 -12.295 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.064 5.197 -11.485 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.993 3.922 -9.192 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.254 3.549 -10.350 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.474 0.143 -10.296 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.681 1.432 -10.351 1.00 0.00 H new ATOM 264 N VAL A 21 -0.078 4.010 -10.863 1.00 0.00 N ATOM 265 CA VAL A 21 1.254 4.361 -10.386 1.00 0.00 C ATOM 266 C VAL A 21 2.030 5.136 -11.444 1.00 0.00 C ATOM 267 O VAL A 21 2.338 6.316 -11.265 1.00 0.00 O ATOM 268 CB VAL A 21 2.058 3.108 -9.991 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.498 3.475 -9.670 1.00 0.00 C ATOM 270 CG2 VAL A 21 1.402 2.405 -8.812 1.00 0.00 C ATOM 0 H VAL A 21 -0.133 3.107 -11.335 1.00 0.00 H new ATOM 0 HA VAL A 21 1.119 4.989 -9.505 1.00 0.00 H new ATOM 0 HB VAL A 21 2.065 2.421 -10.837 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.049 2.576 -9.393 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.961 3.930 -10.545 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.517 4.182 -8.841 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.983 1.522 -8.546 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.362 3.084 -7.960 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.390 2.105 -9.084 1.00 0.00 H new ATOM 280 N LEU A 22 2.344 4.467 -12.548 1.00 0.00 N ATOM 281 CA LEU A 22 3.085 5.093 -13.638 1.00 0.00 C ATOM 282 C LEU A 22 2.401 6.378 -14.093 1.00 0.00 C ATOM 283 O LEU A 22 3.049 7.412 -14.262 1.00 0.00 O ATOM 284 CB LEU A 22 3.213 4.125 -14.816 1.00 0.00 C ATOM 285 CG LEU A 22 3.602 2.689 -14.465 1.00 0.00 C ATOM 286 CD1 LEU A 22 3.678 1.835 -15.720 1.00 0.00 C ATOM 287 CD2 LEU A 22 4.928 2.662 -13.718 1.00 0.00 C ATOM 0 H LEU A 22 2.097 3.491 -12.712 1.00 0.00 H new ATOM 0 HA LEU A 22 4.081 5.343 -13.272 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.262 4.103 -15.347 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.955 4.523 -15.508 1.00 0.00 H new ATOM 0 HG LEU A 22 2.833 2.274 -13.814 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.956 0.816 -15.450 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.706 1.827 -16.214 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.426 2.248 -16.397 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.189 1.632 -13.476 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.707 3.096 -14.344 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.839 3.239 -12.798 1.00 0.00 H new ATOM 299 N ASP A 23 1.089 6.307 -14.288 1.00 0.00 N ATOM 300 CA ASP A 23 0.316 7.466 -14.720 1.00 0.00 C ATOM 301 C ASP A 23 0.543 8.650 -13.786 1.00 0.00 C ATOM 302 O ASP A 23 0.207 9.787 -14.116 1.00 0.00 O ATOM 303 CB ASP A 23 -1.173 7.121 -14.775 1.00 0.00 C ATOM 304 CG ASP A 23 -1.882 7.408 -13.466 1.00 0.00 C ATOM 305 OD1 ASP A 23 -1.560 6.743 -12.459 1.00 0.00 O ATOM 306 OD2 ASP A 23 -2.759 8.298 -13.448 1.00 0.00 O ATOM 0 H ASP A 23 0.538 5.459 -14.154 1.00 0.00 H new ATOM 0 HA ASP A 23 0.653 7.745 -15.718 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.646 7.692 -15.574 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.290 6.066 -15.025 1.00 0.00 H new ATOM 311 N SER A 24 1.115 8.374 -12.618 1.00 0.00 N ATOM 312 CA SER A 24 1.382 9.416 -11.633 1.00 0.00 C ATOM 313 C SER A 24 2.868 9.475 -11.294 1.00 0.00 C ATOM 314 O SER A 24 3.519 8.443 -11.128 1.00 0.00 O ATOM 315 CB SER A 24 0.567 9.167 -10.362 1.00 0.00 C ATOM 316 OG SER A 24 0.338 10.376 -9.658 1.00 0.00 O ATOM 0 H SER A 24 1.402 7.438 -12.331 1.00 0.00 H new ATOM 0 HA SER A 24 1.087 10.373 -12.064 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.387 8.708 -10.622 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.095 8.463 -9.719 1.00 0.00 H new ATOM 0 HG SER A 24 -0.186 10.190 -8.851 1.00 0.00 H new ATOM 322 N GLU A 25 3.398 10.689 -11.193 1.00 0.00 N ATOM 323 CA GLU A 25 4.808 10.883 -10.875 1.00 0.00 C ATOM 324 C GLU A 25 5.021 10.954 -9.365 1.00 0.00 C ATOM 325 O GLU A 25 5.955 11.599 -8.889 1.00 0.00 O ATOM 326 CB GLU A 25 5.332 12.160 -11.535 1.00 0.00 C ATOM 327 CG GLU A 25 4.551 13.406 -11.155 1.00 0.00 C ATOM 328 CD GLU A 25 5.391 14.667 -11.231 1.00 0.00 C ATOM 329 OE1 GLU A 25 6.558 14.631 -10.790 1.00 0.00 O ATOM 330 OE2 GLU A 25 4.879 15.690 -11.733 1.00 0.00 O ATOM 0 H GLU A 25 2.873 11.553 -11.327 1.00 0.00 H new ATOM 0 HA GLU A 25 5.362 10.028 -11.263 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.377 12.299 -11.259 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.301 12.038 -12.618 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.691 13.507 -11.816 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.163 13.293 -10.143 1.00 0.00 H new ATOM 337 N ASP A 26 4.147 10.286 -8.619 1.00 0.00 N ATOM 338 CA ASP A 26 4.238 10.272 -7.164 1.00 0.00 C ATOM 339 C ASP A 26 4.597 8.879 -6.656 1.00 0.00 C ATOM 340 O ASP A 26 4.384 7.881 -7.345 1.00 0.00 O ATOM 341 CB ASP A 26 2.917 10.730 -6.545 1.00 0.00 C ATOM 342 CG ASP A 26 2.664 12.211 -6.752 1.00 0.00 C ATOM 343 OD1 ASP A 26 2.909 12.703 -7.872 1.00 0.00 O ATOM 344 OD2 ASP A 26 2.220 12.877 -5.793 1.00 0.00 O ATOM 0 H ASP A 26 3.368 9.748 -8.998 1.00 0.00 H new ATOM 0 HA ASP A 26 5.028 10.962 -6.867 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.097 10.160 -6.982 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.924 10.511 -5.477 1.00 0.00 H new ATOM 349 N VAL A 27 5.142 8.819 -5.445 1.00 0.00 N ATOM 350 CA VAL A 27 5.530 7.548 -4.844 1.00 0.00 C ATOM 351 C VAL A 27 4.305 6.732 -4.446 1.00 0.00 C ATOM 352 O VAL A 27 3.458 7.196 -3.684 1.00 0.00 O ATOM 353 CB VAL A 27 6.416 7.762 -3.602 1.00 0.00 C ATOM 354 CG1 VAL A 27 6.828 6.426 -3.003 1.00 0.00 C ATOM 355 CG2 VAL A 27 7.637 8.597 -3.956 1.00 0.00 C ATOM 0 H VAL A 27 5.325 9.635 -4.861 1.00 0.00 H new ATOM 0 HA VAL A 27 6.098 7.002 -5.597 1.00 0.00 H new ATOM 0 HB VAL A 27 5.838 8.305 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.453 6.597 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.938 5.869 -2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.388 5.853 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.251 8.738 -3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.219 8.084 -4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.317 9.568 -4.334 1.00 0.00 H new ATOM 365 N TRP A 28 4.219 5.513 -4.968 1.00 0.00 N ATOM 366 CA TRP A 28 3.098 4.631 -4.667 1.00 0.00 C ATOM 367 C TRP A 28 3.561 3.412 -3.877 1.00 0.00 C ATOM 368 O TRP A 28 4.264 2.550 -4.404 1.00 0.00 O ATOM 369 CB TRP A 28 2.411 4.186 -5.960 1.00 0.00 C ATOM 370 CG TRP A 28 1.410 5.176 -6.472 1.00 0.00 C ATOM 371 CD1 TRP A 28 1.664 6.270 -7.251 1.00 0.00 C ATOM 372 CD2 TRP A 28 -0.003 5.165 -6.241 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.493 6.939 -7.517 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.543 6.280 -6.910 1.00 0.00 C ATOM 375 CE3 TRP A 28 -0.864 4.320 -5.536 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -1.905 6.571 -6.892 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -2.215 4.609 -5.519 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.725 5.726 -6.194 1.00 0.00 C ATOM 0 H TRP A 28 4.912 5.114 -5.601 1.00 0.00 H new ATOM 0 HA TRP A 28 2.385 5.186 -4.057 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.168 4.017 -6.726 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.913 3.232 -5.788 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.641 6.565 -7.605 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.409 7.788 -8.076 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.480 3.456 -5.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.300 7.432 -7.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.889 3.963 -4.976 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.786 5.924 -6.163 1.00 0.00 H new ATOM 389 N MET A 29 3.162 3.346 -2.611 1.00 0.00 N ATOM 390 CA MET A 29 3.536 2.230 -1.750 1.00 0.00 C ATOM 391 C MET A 29 2.586 1.052 -1.943 1.00 0.00 C ATOM 392 O MET A 29 1.486 1.032 -1.392 1.00 0.00 O ATOM 393 CB MET A 29 3.533 2.667 -0.284 1.00 0.00 C ATOM 394 CG MET A 29 4.853 3.266 0.174 1.00 0.00 C ATOM 395 SD MET A 29 4.980 3.375 1.970 1.00 0.00 S ATOM 396 CE MET A 29 6.337 2.249 2.282 1.00 0.00 C ATOM 0 H MET A 29 2.580 4.051 -2.159 1.00 0.00 H new ATOM 0 HA MET A 29 4.541 1.912 -2.025 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.739 3.399 -0.133 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.297 1.807 0.343 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.675 2.660 -0.208 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.964 4.262 -0.255 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.490 2.153 3.357 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.103 1.272 1.860 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.245 2.636 1.819 1.00 0.00 H new ATOM 406 N VAL A 30 3.019 0.072 -2.730 1.00 0.00 N ATOM 407 CA VAL A 30 2.208 -1.110 -2.996 1.00 0.00 C ATOM 408 C VAL A 30 2.474 -2.202 -1.965 1.00 0.00 C ATOM 409 O VAL A 30 3.614 -2.624 -1.775 1.00 0.00 O ATOM 410 CB VAL A 30 2.478 -1.672 -4.404 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.629 -2.908 -4.658 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.217 -0.609 -5.460 1.00 0.00 C ATOM 0 H VAL A 30 3.927 0.073 -3.194 1.00 0.00 H new ATOM 0 HA VAL A 30 1.165 -0.799 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 30 3.527 -1.963 -4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.834 -3.291 -5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.870 -3.673 -3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.574 -2.647 -4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.413 -1.023 -6.449 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.178 -0.285 -5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.873 0.244 -5.287 1.00 0.00 H new ATOM 422 N GLU A 31 1.413 -2.655 -1.304 1.00 0.00 N ATOM 423 CA GLU A 31 1.533 -3.698 -0.292 1.00 0.00 C ATOM 424 C GLU A 31 0.632 -4.884 -0.624 1.00 0.00 C ATOM 425 O GLU A 31 -0.571 -4.725 -0.833 1.00 0.00 O ATOM 426 CB GLU A 31 1.178 -3.144 1.089 1.00 0.00 C ATOM 427 CG GLU A 31 0.898 -4.221 2.124 1.00 0.00 C ATOM 428 CD GLU A 31 -0.523 -4.745 2.050 1.00 0.00 C ATOM 429 OE1 GLU A 31 -1.407 -4.159 2.710 1.00 0.00 O ATOM 430 OE2 GLU A 31 -0.751 -5.742 1.333 1.00 0.00 O ATOM 0 H GLU A 31 0.462 -2.317 -1.451 1.00 0.00 H new ATOM 0 HA GLU A 31 2.567 -4.041 -0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.998 -2.518 1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.302 -2.502 0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.594 -5.047 1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.082 -3.819 3.120 1.00 0.00 H new ATOM 437 N PHE A 32 1.222 -6.074 -0.671 1.00 0.00 N ATOM 438 CA PHE A 32 0.474 -7.287 -0.979 1.00 0.00 C ATOM 439 C PHE A 32 0.088 -8.026 0.299 1.00 0.00 C ATOM 440 O PHE A 32 0.948 -8.404 1.095 1.00 0.00 O ATOM 441 CB PHE A 32 1.300 -8.205 -1.883 1.00 0.00 C ATOM 442 CG PHE A 32 1.763 -7.541 -3.148 1.00 0.00 C ATOM 443 CD1 PHE A 32 2.798 -6.621 -3.124 1.00 0.00 C ATOM 444 CD2 PHE A 32 1.163 -7.838 -4.362 1.00 0.00 C ATOM 445 CE1 PHE A 32 3.225 -6.008 -4.287 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.587 -7.229 -5.528 1.00 0.00 C ATOM 447 CZ PHE A 32 2.620 -6.313 -5.491 1.00 0.00 C ATOM 0 H PHE A 32 2.216 -6.224 -0.500 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.438 -6.999 -1.502 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.169 -8.561 -1.330 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.705 -9.081 -2.139 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.277 -6.380 -2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.355 -8.554 -4.397 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.032 -5.291 -4.254 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.111 -7.469 -6.467 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.954 -5.836 -6.401 1.00 0.00 H new ATOM 457 N TYR A 33 -1.211 -8.229 0.488 1.00 0.00 N ATOM 458 CA TYR A 33 -1.713 -8.920 1.670 1.00 0.00 C ATOM 459 C TYR A 33 -2.641 -10.066 1.278 1.00 0.00 C ATOM 460 O TYR A 33 -3.030 -10.195 0.118 1.00 0.00 O ATOM 461 CB TYR A 33 -2.451 -7.941 2.584 1.00 0.00 C ATOM 462 CG TYR A 33 -3.792 -7.500 2.043 1.00 0.00 C ATOM 463 CD1 TYR A 33 -4.880 -8.364 2.041 1.00 0.00 C ATOM 464 CD2 TYR A 33 -3.970 -6.221 1.531 1.00 0.00 C ATOM 465 CE1 TYR A 33 -6.107 -7.966 1.547 1.00 0.00 C ATOM 466 CE2 TYR A 33 -5.194 -5.814 1.036 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.259 -6.690 1.046 1.00 0.00 C ATOM 468 OH TYR A 33 -7.480 -6.288 0.552 1.00 0.00 O ATOM 0 H TYR A 33 -1.936 -7.925 -0.162 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.860 -9.335 2.207 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.597 -8.407 3.558 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.826 -7.062 2.741 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.764 -9.364 2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.137 -5.533 1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.943 -8.650 1.553 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.316 -4.815 0.643 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.742 -6.874 -0.188 1.00 0.00 H new ATOM 478 N ALA A 34 -2.992 -10.895 2.255 1.00 0.00 N ATOM 479 CA ALA A 34 -3.877 -12.028 2.015 1.00 0.00 C ATOM 480 C ALA A 34 -5.105 -11.967 2.917 1.00 0.00 C ATOM 481 O ALA A 34 -5.007 -11.763 4.127 1.00 0.00 O ATOM 482 CB ALA A 34 -3.128 -13.336 2.227 1.00 0.00 C ATOM 0 H ALA A 34 -2.677 -10.803 3.221 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.217 -11.979 0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.801 -14.174 2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.286 -13.389 1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.760 -13.383 3.252 1.00 0.00 H new ATOM 488 N PRO A 35 -6.291 -12.147 2.316 1.00 0.00 N ATOM 489 CA PRO A 35 -7.561 -12.116 3.047 1.00 0.00 C ATOM 490 C PRO A 35 -7.732 -13.323 3.963 1.00 0.00 C ATOM 491 O PRO A 35 -8.645 -13.364 4.788 1.00 0.00 O ATOM 492 CB PRO A 35 -8.611 -12.137 1.934 1.00 0.00 C ATOM 493 CG PRO A 35 -7.930 -12.792 0.782 1.00 0.00 C ATOM 494 CD PRO A 35 -6.482 -12.394 0.877 1.00 0.00 C ATOM 0 HA PRO A 35 -7.633 -11.249 3.703 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.498 -12.693 2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.938 -11.129 1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.041 -13.875 0.828 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.363 -12.467 -0.164 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.824 -13.183 0.514 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.270 -11.504 0.285 1.00 0.00 H new ATOM 502 N TRP A 36 -6.848 -14.303 3.814 1.00 0.00 N ATOM 503 CA TRP A 36 -6.901 -15.511 4.629 1.00 0.00 C ATOM 504 C TRP A 36 -5.629 -15.667 5.455 1.00 0.00 C ATOM 505 O TRP A 36 -5.317 -16.760 5.930 1.00 0.00 O ATOM 506 CB TRP A 36 -7.102 -16.741 3.742 1.00 0.00 C ATOM 507 CG TRP A 36 -6.374 -16.657 2.435 1.00 0.00 C ATOM 508 CD1 TRP A 36 -6.929 -16.555 1.192 1.00 0.00 C ATOM 509 CD2 TRP A 36 -4.955 -16.668 2.243 1.00 0.00 C ATOM 510 NE1 TRP A 36 -5.942 -16.503 0.238 1.00 0.00 N ATOM 511 CE2 TRP A 36 -4.722 -16.570 0.857 1.00 0.00 C ATOM 512 CE3 TRP A 36 -3.859 -16.750 3.106 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -3.438 -16.552 0.318 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -2.586 -16.732 2.570 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.383 -16.634 1.187 1.00 0.00 C ATOM 0 H TRP A 36 -6.086 -14.285 3.136 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.746 -15.422 5.312 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.766 -17.627 4.280 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -8.167 -16.870 3.549 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -7.989 -16.520 0.988 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.093 -16.427 -0.768 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.005 -16.826 4.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.280 -16.476 -0.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.732 -16.795 3.228 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.375 -16.623 0.799 1.00 0.00 H new ATOM 526 N CYS A 37 -4.900 -14.570 5.623 1.00 0.00 N ATOM 527 CA CYS A 37 -3.661 -14.586 6.392 1.00 0.00 C ATOM 528 C CYS A 37 -3.777 -13.701 7.629 1.00 0.00 C ATOM 529 O CYS A 37 -4.398 -12.640 7.590 1.00 0.00 O ATOM 530 CB CYS A 37 -2.492 -14.119 5.525 1.00 0.00 C ATOM 531 SG CYS A 37 -0.864 -14.462 6.232 1.00 0.00 S ATOM 0 H CYS A 37 -5.145 -13.658 5.237 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.477 -15.610 6.716 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.562 -14.601 4.550 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.584 -13.046 5.357 1.00 0.00 H new ATOM 0 HG CYS A 37 0.059 -14.032 5.424 1.00 0.00 H new ATOM 537 N GLY A 38 -3.176 -14.147 8.728 1.00 0.00 N ATOM 538 CA GLY A 38 -3.226 -13.385 9.962 1.00 0.00 C ATOM 539 C GLY A 38 -2.407 -12.111 9.891 1.00 0.00 C ATOM 540 O GLY A 38 -2.931 -11.015 10.091 1.00 0.00 O ATOM 0 H GLY A 38 -2.655 -15.022 8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.262 -13.135 10.189 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.860 -14.003 10.782 1.00 0.00 H new ATOM 544 N HIS A 39 -1.117 -12.255 9.605 1.00 0.00 N ATOM 545 CA HIS A 39 -0.223 -11.106 9.509 1.00 0.00 C ATOM 546 C HIS A 39 -0.954 -9.895 8.937 1.00 0.00 C ATOM 547 O HIS A 39 -0.873 -8.794 9.483 1.00 0.00 O ATOM 548 CB HIS A 39 0.986 -11.446 8.636 1.00 0.00 C ATOM 549 CG HIS A 39 1.914 -12.442 9.260 1.00 0.00 C ATOM 550 ND1 HIS A 39 3.002 -12.080 10.027 1.00 0.00 N ATOM 551 CD2 HIS A 39 1.911 -13.795 9.229 1.00 0.00 C ATOM 552 CE1 HIS A 39 3.628 -13.168 10.439 1.00 0.00 C ATOM 553 NE2 HIS A 39 2.986 -14.222 9.969 1.00 0.00 N ATOM 0 H HIS A 39 -0.667 -13.155 9.436 1.00 0.00 H new ATOM 0 HA HIS A 39 0.121 -10.859 10.513 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.636 -11.837 7.681 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.538 -10.531 8.423 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.196 -14.422 8.717 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.514 -13.191 11.056 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.246 -15.195 10.130 1.00 0.00 H new ATOM 562 N CYS A 40 -1.666 -10.106 7.835 1.00 0.00 N ATOM 563 CA CYS A 40 -2.410 -9.032 7.188 1.00 0.00 C ATOM 564 C CYS A 40 -3.446 -8.439 8.138 1.00 0.00 C ATOM 565 O CYS A 40 -3.453 -7.235 8.394 1.00 0.00 O ATOM 566 CB CYS A 40 -3.097 -9.549 5.923 1.00 0.00 C ATOM 567 SG CYS A 40 -4.471 -8.519 5.356 1.00 0.00 S ATOM 0 H CYS A 40 -1.743 -11.011 7.371 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.704 -8.248 6.914 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.358 -9.622 5.125 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.466 -10.558 6.109 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.471 -8.472 4.057 1.00 0.00 H new ATOM 573 N LYS A 41 -4.322 -9.293 8.657 1.00 0.00 N ATOM 574 CA LYS A 41 -5.364 -8.856 9.579 1.00 0.00 C ATOM 575 C LYS A 41 -4.819 -7.832 10.569 1.00 0.00 C ATOM 576 O LYS A 41 -5.532 -6.923 10.991 1.00 0.00 O ATOM 577 CB LYS A 41 -5.941 -10.055 10.334 1.00 0.00 C ATOM 578 CG LYS A 41 -6.651 -11.055 9.437 1.00 0.00 C ATOM 579 CD LYS A 41 -8.120 -10.706 9.266 1.00 0.00 C ATOM 580 CE LYS A 41 -8.668 -11.235 7.949 1.00 0.00 C ATOM 581 NZ LYS A 41 -9.970 -10.603 7.597 1.00 0.00 N ATOM 0 H LYS A 41 -4.331 -10.293 8.455 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.157 -8.386 8.997 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.135 -10.563 10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.641 -9.696 11.089 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.166 -11.078 8.461 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.561 -12.055 9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.693 -11.123 10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.245 -9.624 9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.946 -11.048 7.154 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.795 -12.315 8.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.311 -10.990 6.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.666 -10.803 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.844 -9.575 7.508 1.00 0.00 H new ATOM 595 N ASN A 42 -3.551 -7.986 10.935 1.00 0.00 N ATOM 596 CA ASN A 42 -2.910 -7.073 11.875 1.00 0.00 C ATOM 597 C ASN A 42 -2.342 -5.856 11.152 1.00 0.00 C ATOM 598 O ASN A 42 -2.278 -4.761 11.712 1.00 0.00 O ATOM 599 CB ASN A 42 -1.796 -7.793 12.638 1.00 0.00 C ATOM 600 CG ASN A 42 -2.229 -9.155 13.145 1.00 0.00 C ATOM 601 OD1 ASN A 42 -3.422 -9.441 13.249 1.00 0.00 O ATOM 602 ND2 ASN A 42 -1.258 -10.003 13.463 1.00 0.00 N ATOM 0 H ASN A 42 -2.947 -8.734 10.595 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.665 -6.732 12.583 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.930 -7.909 11.987 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.481 -7.178 13.481 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.488 -10.934 13.810 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.283 -9.723 13.361 1.00 0.00 H new ATOM 609 N LEU A 43 -1.933 -6.055 9.904 1.00 0.00 N ATOM 610 CA LEU A 43 -1.370 -4.974 9.102 1.00 0.00 C ATOM 611 C LEU A 43 -2.474 -4.098 8.518 1.00 0.00 C ATOM 612 O LEU A 43 -2.215 -2.997 8.035 1.00 0.00 O ATOM 613 CB LEU A 43 -0.506 -5.544 7.976 1.00 0.00 C ATOM 614 CG LEU A 43 0.106 -4.523 7.017 1.00 0.00 C ATOM 615 CD1 LEU A 43 1.225 -3.752 7.701 1.00 0.00 C ATOM 616 CD2 LEU A 43 0.621 -5.211 5.761 1.00 0.00 C ATOM 0 H LEU A 43 -1.981 -6.954 9.425 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.748 -4.358 9.752 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.302 -6.123 8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.113 -6.239 7.396 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.671 -3.816 6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.649 -3.030 7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.827 -3.227 8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.002 -4.446 8.021 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.053 -4.468 5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.383 -5.941 6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.204 -5.717 5.259 1.00 0.00 H new ATOM 628 N GLU A 44 -3.706 -4.596 8.568 1.00 0.00 N ATOM 629 CA GLU A 44 -4.850 -3.857 8.045 1.00 0.00 C ATOM 630 C GLU A 44 -4.917 -2.458 8.650 1.00 0.00 C ATOM 631 O GLU A 44 -4.861 -1.448 7.949 1.00 0.00 O ATOM 632 CB GLU A 44 -6.148 -4.613 8.334 1.00 0.00 C ATOM 633 CG GLU A 44 -7.342 -3.703 8.569 1.00 0.00 C ATOM 634 CD GLU A 44 -8.609 -4.473 8.889 1.00 0.00 C ATOM 635 OE1 GLU A 44 -8.894 -5.465 8.186 1.00 0.00 O ATOM 636 OE2 GLU A 44 -9.314 -4.083 9.843 1.00 0.00 O ATOM 0 H GLU A 44 -3.937 -5.507 8.965 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.726 -3.761 6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.366 -5.276 7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.004 -5.243 9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.119 -3.021 9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.508 -3.091 7.682 1.00 0.00 H new ATOM 643 N PRO A 45 -5.040 -2.396 9.984 1.00 0.00 N ATOM 644 CA PRO A 45 -5.117 -1.127 10.714 1.00 0.00 C ATOM 645 C PRO A 45 -3.794 -0.371 10.703 1.00 0.00 C ATOM 646 O PRO A 45 -3.771 0.858 10.768 1.00 0.00 O ATOM 647 CB PRO A 45 -5.475 -1.559 12.139 1.00 0.00 C ATOM 648 CG PRO A 45 -4.965 -2.954 12.251 1.00 0.00 C ATOM 649 CD PRO A 45 -5.112 -3.561 10.883 1.00 0.00 C ATOM 0 HA PRO A 45 -5.838 -0.443 10.267 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.011 -0.907 12.879 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.551 -1.516 12.307 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.923 -2.964 12.572 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.532 -3.518 12.991 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.319 -4.279 10.675 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.058 -4.092 10.778 1.00 0.00 H new ATOM 657 N GLU A 46 -2.694 -1.112 10.620 1.00 0.00 N ATOM 658 CA GLU A 46 -1.366 -0.510 10.601 1.00 0.00 C ATOM 659 C GLU A 46 -1.119 0.220 9.284 1.00 0.00 C ATOM 660 O GLU A 46 -0.509 1.289 9.260 1.00 0.00 O ATOM 661 CB GLU A 46 -0.293 -1.579 10.814 1.00 0.00 C ATOM 662 CG GLU A 46 -0.427 -2.323 12.132 1.00 0.00 C ATOM 663 CD GLU A 46 -0.217 -1.423 13.334 1.00 0.00 C ATOM 664 OE1 GLU A 46 0.445 -0.375 13.181 1.00 0.00 O ATOM 665 OE2 GLU A 46 -0.714 -1.766 14.427 1.00 0.00 O ATOM 0 H GLU A 46 -2.696 -2.131 10.565 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.312 0.214 11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.340 -2.297 9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.690 -1.109 10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.417 -2.776 12.190 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.298 -3.137 12.161 1.00 0.00 H new ATOM 672 N TRP A 47 -1.596 -0.366 8.192 1.00 0.00 N ATOM 673 CA TRP A 47 -1.426 0.228 6.870 1.00 0.00 C ATOM 674 C TRP A 47 -2.404 1.379 6.661 1.00 0.00 C ATOM 675 O TRP A 47 -2.039 2.425 6.125 1.00 0.00 O ATOM 676 CB TRP A 47 -1.625 -0.830 5.784 1.00 0.00 C ATOM 677 CG TRP A 47 -1.142 -0.394 4.434 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.909 0.037 3.389 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.216 -0.348 3.983 1.00 0.00 C ATOM 680 NE1 TRP A 47 -1.110 0.349 2.316 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.198 0.122 2.655 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.445 -0.655 4.572 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.362 0.289 1.909 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.599 -0.489 3.830 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.551 -0.020 2.511 1.00 0.00 C ATOM 0 H TRP A 47 -2.103 -1.251 8.195 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.412 0.621 6.803 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.100 -1.740 6.073 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.684 -1.080 5.720 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.986 0.120 3.404 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.437 0.694 1.414 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.492 -1.016 5.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.327 0.650 0.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.554 -0.725 4.275 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.471 0.100 1.958 1.00 0.00 H new ATOM 696 N ALA A 48 -3.647 1.179 7.087 1.00 0.00 N ATOM 697 CA ALA A 48 -4.676 2.202 6.948 1.00 0.00 C ATOM 698 C ALA A 48 -4.267 3.491 7.652 1.00 0.00 C ATOM 699 O ALA A 48 -4.357 4.577 7.080 1.00 0.00 O ATOM 700 CB ALA A 48 -6.001 1.695 7.498 1.00 0.00 C ATOM 0 H ALA A 48 -3.966 0.318 7.531 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.795 2.421 5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.761 2.469 7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.307 0.805 6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.886 1.447 8.553 1.00 0.00 H new ATOM 706 N ALA A 49 -3.818 3.364 8.896 1.00 0.00 N ATOM 707 CA ALA A 49 -3.394 4.520 9.677 1.00 0.00 C ATOM 708 C ALA A 49 -2.162 5.175 9.064 1.00 0.00 C ATOM 709 O ALA A 49 -2.161 6.372 8.778 1.00 0.00 O ATOM 710 CB ALA A 49 -3.116 4.111 11.116 1.00 0.00 C ATOM 0 H ALA A 49 -3.738 2.472 9.385 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.203 5.250 9.668 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.800 4.984 11.688 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.022 3.696 11.558 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.326 3.360 11.135 1.00 0.00 H new ATOM 716 N ALA A 50 -1.114 4.382 8.864 1.00 0.00 N ATOM 717 CA ALA A 50 0.125 4.886 8.284 1.00 0.00 C ATOM 718 C ALA A 50 -0.156 5.771 7.074 1.00 0.00 C ATOM 719 O ALA A 50 0.389 6.868 6.957 1.00 0.00 O ATOM 720 CB ALA A 50 1.033 3.729 7.893 1.00 0.00 C ATOM 0 H ALA A 50 -1.098 3.389 9.095 1.00 0.00 H new ATOM 0 HA ALA A 50 0.629 5.492 9.036 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.955 4.120 7.461 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.269 3.137 8.777 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.527 3.101 7.160 1.00 0.00 H new ATOM 726 N ALA A 51 -1.010 5.288 6.178 1.00 0.00 N ATOM 727 CA ALA A 51 -1.364 6.037 4.979 1.00 0.00 C ATOM 728 C ALA A 51 -1.710 7.483 5.317 1.00 0.00 C ATOM 729 O ALA A 51 -1.291 8.410 4.623 1.00 0.00 O ATOM 730 CB ALA A 51 -2.527 5.367 4.262 1.00 0.00 C ATOM 0 H ALA A 51 -1.470 4.381 6.260 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.499 6.044 4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.781 5.937 3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.244 4.354 3.978 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.391 5.330 4.926 1.00 0.00 H new ATOM 736 N SER A 52 -2.478 7.668 6.385 1.00 0.00 N ATOM 737 CA SER A 52 -2.885 9.002 6.812 1.00 0.00 C ATOM 738 C SER A 52 -1.696 9.781 7.365 1.00 0.00 C ATOM 739 O SER A 52 -1.498 10.949 7.032 1.00 0.00 O ATOM 740 CB SER A 52 -3.984 8.908 7.872 1.00 0.00 C ATOM 741 OG SER A 52 -5.266 8.836 7.272 1.00 0.00 O ATOM 0 H SER A 52 -2.831 6.911 6.971 1.00 0.00 H new ATOM 0 HA SER A 52 -3.273 9.532 5.942 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.820 8.028 8.494 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.935 9.776 8.529 1.00 0.00 H new ATOM 0 HG SER A 52 -5.951 8.775 7.970 1.00 0.00 H new ATOM 747 N GLU A 53 -0.908 9.126 8.211 1.00 0.00 N ATOM 748 CA GLU A 53 0.262 9.758 8.811 1.00 0.00 C ATOM 749 C GLU A 53 1.314 10.073 7.751 1.00 0.00 C ATOM 750 O GLU A 53 2.139 10.969 7.926 1.00 0.00 O ATOM 751 CB GLU A 53 0.863 8.852 9.888 1.00 0.00 C ATOM 752 CG GLU A 53 2.215 9.323 10.394 1.00 0.00 C ATOM 753 CD GLU A 53 2.101 10.470 11.380 1.00 0.00 C ATOM 754 OE1 GLU A 53 2.112 11.637 10.937 1.00 0.00 O ATOM 755 OE2 GLU A 53 2.002 10.199 12.595 1.00 0.00 O ATOM 0 H GLU A 53 -1.058 8.158 8.497 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.058 10.693 9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.171 8.792 10.728 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.966 7.844 9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.731 8.489 10.870 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.827 9.635 9.548 1.00 0.00 H new ATOM 762 N VAL A 54 1.277 9.329 6.650 1.00 0.00 N ATOM 763 CA VAL A 54 2.226 9.528 5.561 1.00 0.00 C ATOM 764 C VAL A 54 1.758 10.633 4.620 1.00 0.00 C ATOM 765 O VAL A 54 2.558 11.443 4.150 1.00 0.00 O ATOM 766 CB VAL A 54 2.431 8.234 4.752 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.363 8.481 3.575 1.00 0.00 C ATOM 768 CG2 VAL A 54 2.971 7.127 5.646 1.00 0.00 C ATOM 0 H VAL A 54 0.600 8.583 6.489 1.00 0.00 H new ATOM 0 HA VAL A 54 3.173 9.818 6.016 1.00 0.00 H new ATOM 0 HB VAL A 54 1.465 7.915 4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.496 7.555 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.932 9.241 2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.330 8.825 3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.110 6.220 5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.927 7.435 6.069 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.263 6.932 6.452 1.00 0.00 H new ATOM 778 N LYS A 55 0.458 10.662 4.350 1.00 0.00 N ATOM 779 CA LYS A 55 -0.119 11.669 3.467 1.00 0.00 C ATOM 780 C LYS A 55 0.013 13.063 4.072 1.00 0.00 C ATOM 781 O LYS A 55 0.234 14.040 3.358 1.00 0.00 O ATOM 782 CB LYS A 55 -1.592 11.356 3.196 1.00 0.00 C ATOM 783 CG LYS A 55 -2.442 12.591 2.954 1.00 0.00 C ATOM 784 CD LYS A 55 -3.925 12.267 3.007 1.00 0.00 C ATOM 785 CE LYS A 55 -4.493 12.482 4.402 1.00 0.00 C ATOM 786 NZ LYS A 55 -5.976 12.347 4.424 1.00 0.00 N ATOM 0 H LYS A 55 -0.217 9.999 4.730 1.00 0.00 H new ATOM 0 HA LYS A 55 0.429 11.648 2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.662 10.701 2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.000 10.805 4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.207 13.348 3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.197 13.018 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.461 12.894 2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.083 11.232 2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.052 11.759 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.213 13.473 4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.324 12.500 5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.398 13.053 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.242 11.393 4.107 1.00 0.00 H new ATOM 800 N GLU A 56 -0.122 13.145 5.392 1.00 0.00 N ATOM 801 CA GLU A 56 -0.018 14.420 6.091 1.00 0.00 C ATOM 802 C GLU A 56 1.434 14.886 6.159 1.00 0.00 C ATOM 803 O GLU A 56 1.715 16.083 6.110 1.00 0.00 O ATOM 804 CB GLU A 56 -0.593 14.301 7.504 1.00 0.00 C ATOM 805 CG GLU A 56 0.402 13.776 8.525 1.00 0.00 C ATOM 806 CD GLU A 56 -0.109 13.886 9.948 1.00 0.00 C ATOM 807 OE1 GLU A 56 -1.044 13.137 10.301 1.00 0.00 O ATOM 808 OE2 GLU A 56 0.426 14.719 10.709 1.00 0.00 O ATOM 0 H GLU A 56 -0.303 12.345 5.998 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.594 15.159 5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.948 15.280 7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.459 13.640 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.628 12.733 8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.336 14.330 8.435 1.00 0.00 H new ATOM 815 N GLN A 57 2.351 13.930 6.274 1.00 0.00 N ATOM 816 CA GLN A 57 3.773 14.242 6.350 1.00 0.00 C ATOM 817 C GLN A 57 4.344 14.524 4.964 1.00 0.00 C ATOM 818 O GLN A 57 5.216 15.378 4.801 1.00 0.00 O ATOM 819 CB GLN A 57 4.536 13.088 7.004 1.00 0.00 C ATOM 820 CG GLN A 57 4.382 13.037 8.515 1.00 0.00 C ATOM 821 CD GLN A 57 5.313 12.031 9.163 1.00 0.00 C ATOM 822 OE1 GLN A 57 6.134 12.383 10.010 1.00 0.00 O ATOM 823 NE2 GLN A 57 5.191 10.770 8.766 1.00 0.00 N ATOM 0 H GLN A 57 2.134 12.934 6.317 1.00 0.00 H new ATOM 0 HA GLN A 57 3.890 15.138 6.960 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.188 12.146 6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.594 13.177 6.758 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.577 14.026 8.930 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.351 12.785 8.763 1.00 0.00 H new ATOM 0 HE21 GLN A 57 4.497 10.522 8.061 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.791 10.049 9.166 1.00 0.00 H new ATOM 832 N THR A 58 3.846 13.800 3.966 1.00 0.00 N ATOM 833 CA THR A 58 4.308 13.970 2.594 1.00 0.00 C ATOM 834 C THR A 58 3.377 14.890 1.812 1.00 0.00 C ATOM 835 O THR A 58 3.586 15.137 0.624 1.00 0.00 O ATOM 836 CB THR A 58 4.408 12.618 1.863 1.00 0.00 C ATOM 837 OG1 THR A 58 3.098 12.093 1.621 1.00 0.00 O ATOM 838 CG2 THR A 58 5.217 11.621 2.679 1.00 0.00 C ATOM 0 H THR A 58 3.123 13.090 4.083 1.00 0.00 H new ATOM 0 HA THR A 58 5.300 14.419 2.647 1.00 0.00 H new ATOM 0 HB THR A 58 4.914 12.781 0.912 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.606 12.038 2.467 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.274 10.674 2.143 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.223 12.010 2.836 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.734 11.464 3.644 1.00 0.00 H new ATOM 846 N LYS A 59 2.349 15.396 2.485 1.00 0.00 N ATOM 847 CA LYS A 59 1.387 16.291 1.854 1.00 0.00 C ATOM 848 C LYS A 59 0.661 15.590 0.710 1.00 0.00 C ATOM 849 O LYS A 59 0.249 16.226 -0.259 1.00 0.00 O ATOM 850 CB LYS A 59 2.091 17.545 1.333 1.00 0.00 C ATOM 851 CG LYS A 59 2.453 18.537 2.424 1.00 0.00 C ATOM 852 CD LYS A 59 3.838 18.265 2.988 1.00 0.00 C ATOM 853 CE LYS A 59 4.455 19.522 3.581 1.00 0.00 C ATOM 854 NZ LYS A 59 5.511 19.203 4.581 1.00 0.00 N ATOM 0 H LYS A 59 2.161 15.201 3.468 1.00 0.00 H new ATOM 0 HA LYS A 59 0.652 16.581 2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.999 17.250 0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.446 18.038 0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.415 19.550 2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.716 18.483 3.225 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.775 17.493 3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.484 17.879 2.199 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.882 20.128 2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.676 20.121 4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.907 20.086 4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.098 18.646 5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.267 18.654 4.124 1.00 0.00 H new ATOM 868 N GLY A 60 0.507 14.274 0.830 1.00 0.00 N ATOM 869 CA GLY A 60 -0.170 13.510 -0.201 1.00 0.00 C ATOM 870 C GLY A 60 0.776 13.034 -1.285 1.00 0.00 C ATOM 871 O GLY A 60 0.388 12.262 -2.163 1.00 0.00 O ATOM 0 H GLY A 60 0.839 13.724 1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.661 12.649 0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.952 14.123 -0.649 1.00 0.00 H new ATOM 875 N LYS A 61 2.020 13.495 -1.227 1.00 0.00 N ATOM 876 CA LYS A 61 3.026 13.112 -2.212 1.00 0.00 C ATOM 877 C LYS A 61 3.180 11.596 -2.271 1.00 0.00 C ATOM 878 O LYS A 61 3.011 10.986 -3.327 1.00 0.00 O ATOM 879 CB LYS A 61 4.371 13.760 -1.875 1.00 0.00 C ATOM 880 CG LYS A 61 5.553 13.097 -2.561 1.00 0.00 C ATOM 881 CD LYS A 61 5.386 13.081 -4.071 1.00 0.00 C ATOM 882 CE LYS A 61 5.928 14.353 -4.705 1.00 0.00 C ATOM 883 NZ LYS A 61 4.996 15.501 -4.530 1.00 0.00 N ATOM 0 H LYS A 61 2.357 14.135 -0.508 1.00 0.00 H new ATOM 0 HA LYS A 61 2.695 13.464 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.340 14.812 -2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.521 13.726 -0.796 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.469 13.627 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.661 12.076 -2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.904 12.217 -4.486 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.331 12.970 -4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.893 14.598 -4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.100 14.184 -5.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.060 16.129 -5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.022 15.147 -4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.254 16.030 -3.673 1.00 0.00 H new ATOM 897 N VAL A 62 3.500 10.993 -1.130 1.00 0.00 N ATOM 898 CA VAL A 62 3.675 9.548 -1.052 1.00 0.00 C ATOM 899 C VAL A 62 2.379 8.860 -0.639 1.00 0.00 C ATOM 900 O VAL A 62 2.011 8.857 0.536 1.00 0.00 O ATOM 901 CB VAL A 62 4.785 9.170 -0.054 1.00 0.00 C ATOM 902 CG1 VAL A 62 5.110 7.687 -0.153 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.027 10.014 -0.294 1.00 0.00 C ATOM 0 H VAL A 62 3.643 11.483 -0.247 1.00 0.00 H new ATOM 0 HA VAL A 62 3.962 9.209 -2.048 1.00 0.00 H new ATOM 0 HB VAL A 62 4.426 9.372 0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.896 7.439 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.218 7.103 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.449 7.455 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.801 9.733 0.420 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.391 9.846 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.781 11.068 -0.167 1.00 0.00 H new ATOM 913 N LYS A 63 1.689 8.276 -1.613 1.00 0.00 N ATOM 914 CA LYS A 63 0.433 7.582 -1.352 1.00 0.00 C ATOM 915 C LYS A 63 0.682 6.114 -1.020 1.00 0.00 C ATOM 916 O LYS A 63 1.725 5.557 -1.365 1.00 0.00 O ATOM 917 CB LYS A 63 -0.495 7.691 -2.564 1.00 0.00 C ATOM 918 CG LYS A 63 -0.868 9.121 -2.917 1.00 0.00 C ATOM 919 CD LYS A 63 -1.265 9.249 -4.378 1.00 0.00 C ATOM 920 CE LYS A 63 -2.757 9.026 -4.572 1.00 0.00 C ATOM 921 NZ LYS A 63 -3.554 10.212 -4.154 1.00 0.00 N ATOM 0 H LYS A 63 1.979 8.269 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.043 8.055 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.012 7.227 -3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.405 7.125 -2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.693 9.450 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.025 9.780 -2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.993 10.239 -4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.708 8.525 -4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.958 8.805 -5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.072 8.156 -3.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.487 9.901 -3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.057 10.713 -3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.676 10.852 -4.965 1.00 0.00 H new ATOM 935 N LEU A 64 -0.282 5.492 -0.351 1.00 0.00 N ATOM 936 CA LEU A 64 -0.169 4.087 0.026 1.00 0.00 C ATOM 937 C LEU A 64 -1.321 3.273 -0.554 1.00 0.00 C ATOM 938 O LEU A 64 -2.490 3.583 -0.325 1.00 0.00 O ATOM 939 CB LEU A 64 -0.146 3.948 1.549 1.00 0.00 C ATOM 940 CG LEU A 64 1.232 4.016 2.209 1.00 0.00 C ATOM 941 CD1 LEU A 64 1.779 5.434 2.155 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.160 3.524 3.647 1.00 0.00 C ATOM 0 H LEU A 64 -1.151 5.938 -0.058 1.00 0.00 H new ATOM 0 HA LEU A 64 0.765 3.701 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.770 4.734 1.975 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.607 2.996 1.814 1.00 0.00 H new ATOM 0 HG LEU A 64 1.911 3.365 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.760 5.464 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.868 5.750 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.101 6.106 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.150 3.580 4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.467 4.148 4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.812 2.491 3.661 1.00 0.00 H new ATOM 954 N ALA A 65 -0.983 2.228 -1.303 1.00 0.00 N ATOM 955 CA ALA A 65 -1.989 1.367 -1.911 1.00 0.00 C ATOM 956 C ALA A 65 -1.758 -0.094 -1.539 1.00 0.00 C ATOM 957 O ALA A 65 -0.643 -0.489 -1.198 1.00 0.00 O ATOM 958 CB ALA A 65 -1.984 1.536 -3.423 1.00 0.00 C ATOM 0 H ALA A 65 -0.020 1.958 -1.503 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.965 1.663 -1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.740 0.887 -3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.205 2.573 -3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.003 1.269 -3.816 1.00 0.00 H new ATOM 964 N ALA A 66 -2.819 -0.892 -1.608 1.00 0.00 N ATOM 965 CA ALA A 66 -2.731 -2.309 -1.279 1.00 0.00 C ATOM 966 C ALA A 66 -3.166 -3.174 -2.458 1.00 0.00 C ATOM 967 O ALA A 66 -3.894 -2.718 -3.339 1.00 0.00 O ATOM 968 CB ALA A 66 -3.576 -2.621 -0.053 1.00 0.00 C ATOM 0 H ALA A 66 -3.749 -0.581 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.689 -2.540 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.500 -3.683 0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.217 -2.037 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.617 -2.367 -0.254 1.00 0.00 H new ATOM 974 N VAL A 67 -2.714 -4.424 -2.468 1.00 0.00 N ATOM 975 CA VAL A 67 -3.057 -5.353 -3.538 1.00 0.00 C ATOM 976 C VAL A 67 -3.258 -6.764 -2.998 1.00 0.00 C ATOM 977 O VAL A 67 -2.543 -7.202 -2.096 1.00 0.00 O ATOM 978 CB VAL A 67 -1.967 -5.382 -4.626 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.382 -6.292 -5.773 1.00 0.00 C ATOM 980 CG2 VAL A 67 -1.679 -3.975 -5.129 1.00 0.00 C ATOM 0 H VAL A 67 -2.109 -4.817 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.990 -4.999 -3.977 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.052 -5.782 -4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.600 -6.300 -6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.534 -7.304 -5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.310 -5.924 -6.212 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.907 -4.014 -5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.588 -3.546 -5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.336 -3.356 -4.300 1.00 0.00 H new ATOM 990 N ASP A 68 -4.235 -7.471 -3.554 1.00 0.00 N ATOM 991 CA ASP A 68 -4.530 -8.834 -3.130 1.00 0.00 C ATOM 992 C ASP A 68 -3.812 -9.847 -4.016 1.00 0.00 C ATOM 993 O ASP A 68 -4.272 -10.164 -5.112 1.00 0.00 O ATOM 994 CB ASP A 68 -6.038 -9.087 -3.164 1.00 0.00 C ATOM 995 CG ASP A 68 -6.823 -8.004 -2.451 1.00 0.00 C ATOM 996 OD1 ASP A 68 -6.585 -6.812 -2.737 1.00 0.00 O ATOM 997 OD2 ASP A 68 -7.676 -8.349 -1.607 1.00 0.00 O ATOM 0 H ASP A 68 -4.837 -7.122 -4.300 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.172 -8.955 -2.108 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.370 -9.149 -4.200 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.252 -10.051 -2.702 1.00 0.00 H new ATOM 1002 N ALA A 69 -2.680 -10.350 -3.534 1.00 0.00 N ATOM 1003 CA ALA A 69 -1.898 -11.327 -4.281 1.00 0.00 C ATOM 1004 C ALA A 69 -2.750 -12.531 -4.668 1.00 0.00 C ATOM 1005 O ALA A 69 -2.358 -13.338 -5.512 1.00 0.00 O ATOM 1006 CB ALA A 69 -0.691 -11.771 -3.468 1.00 0.00 C ATOM 0 H ALA A 69 -2.284 -10.097 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.549 -10.852 -5.198 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.116 -12.501 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.064 -10.908 -3.247 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.027 -12.223 -2.535 1.00 0.00 H new ATOM 1012 N THR A 70 -3.919 -12.649 -4.045 1.00 0.00 N ATOM 1013 CA THR A 70 -4.825 -13.756 -4.323 1.00 0.00 C ATOM 1014 C THR A 70 -5.549 -13.554 -5.649 1.00 0.00 C ATOM 1015 O THR A 70 -5.971 -14.516 -6.290 1.00 0.00 O ATOM 1016 CB THR A 70 -5.868 -13.923 -3.202 1.00 0.00 C ATOM 1017 OG1 THR A 70 -6.494 -12.665 -2.924 1.00 0.00 O ATOM 1018 CG2 THR A 70 -5.220 -14.462 -1.936 1.00 0.00 C ATOM 0 H THR A 70 -4.260 -11.991 -3.344 1.00 0.00 H new ATOM 0 HA THR A 70 -4.215 -14.658 -4.379 1.00 0.00 H new ATOM 0 HB THR A 70 -6.620 -14.637 -3.539 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.157 -12.780 -2.211 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.976 -14.572 -1.159 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.769 -15.433 -2.143 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.450 -13.769 -1.598 1.00 0.00 H new ATOM 1026 N VAL A 71 -5.690 -12.296 -6.056 1.00 0.00 N ATOM 1027 CA VAL A 71 -6.362 -11.968 -7.307 1.00 0.00 C ATOM 1028 C VAL A 71 -5.379 -11.407 -8.328 1.00 0.00 C ATOM 1029 O VAL A 71 -5.487 -11.678 -9.523 1.00 0.00 O ATOM 1030 CB VAL A 71 -7.494 -10.947 -7.086 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -8.160 -10.592 -8.407 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -8.513 -11.489 -6.095 1.00 0.00 C ATOM 0 H VAL A 71 -5.347 -11.488 -5.537 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.789 -12.895 -7.689 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.062 -10.037 -6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.957 -9.870 -8.230 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.422 -10.160 -9.082 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.579 -11.492 -8.856 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.306 -10.755 -5.950 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.941 -12.414 -6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.024 -11.687 -5.141 1.00 0.00 H new ATOM 1042 N ASN A 72 -4.419 -10.622 -7.848 1.00 0.00 N ATOM 1043 CA ASN A 72 -3.416 -10.022 -8.719 1.00 0.00 C ATOM 1044 C ASN A 72 -2.291 -11.009 -9.015 1.00 0.00 C ATOM 1045 O ASN A 72 -1.478 -11.317 -8.144 1.00 0.00 O ATOM 1046 CB ASN A 72 -2.843 -8.757 -8.076 1.00 0.00 C ATOM 1047 CG ASN A 72 -3.722 -7.543 -8.307 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -3.393 -6.668 -9.108 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -4.847 -7.484 -7.604 1.00 0.00 N ATOM 0 H ASN A 72 -4.315 -10.387 -6.861 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.900 -9.757 -9.659 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.725 -8.919 -7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.849 -8.565 -8.481 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.478 -6.691 -7.717 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.080 -8.232 -6.951 1.00 0.00 H new ATOM 1056 N GLN A 73 -2.252 -11.502 -10.249 1.00 0.00 N ATOM 1057 CA GLN A 73 -1.227 -12.455 -10.659 1.00 0.00 C ATOM 1058 C GLN A 73 -0.215 -11.797 -11.591 1.00 0.00 C ATOM 1059 O GLN A 73 0.979 -12.091 -11.534 1.00 0.00 O ATOM 1060 CB GLN A 73 -1.868 -13.659 -11.350 1.00 0.00 C ATOM 1061 CG GLN A 73 -2.821 -14.437 -10.457 1.00 0.00 C ATOM 1062 CD GLN A 73 -2.117 -15.502 -9.639 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -1.518 -16.428 -10.188 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -2.184 -15.375 -8.319 1.00 0.00 N ATOM 0 H GLN A 73 -2.918 -11.257 -10.982 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.703 -12.795 -9.766 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.409 -13.316 -12.232 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.082 -14.329 -11.698 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.329 -13.745 -9.785 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.589 -14.906 -11.073 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.691 -14.592 -7.907 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.728 -16.061 -7.717 1.00 0.00 H new ATOM 1073 N VAL A 74 -0.700 -10.906 -12.450 1.00 0.00 N ATOM 1074 CA VAL A 74 0.162 -10.207 -13.395 1.00 0.00 C ATOM 1075 C VAL A 74 1.275 -9.457 -12.671 1.00 0.00 C ATOM 1076 O VAL A 74 2.425 -9.454 -13.113 1.00 0.00 O ATOM 1077 CB VAL A 74 -0.639 -9.210 -14.254 1.00 0.00 C ATOM 1078 CG1 VAL A 74 0.271 -8.521 -15.260 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -1.787 -9.917 -14.958 1.00 0.00 C ATOM 0 H VAL A 74 -1.686 -10.651 -12.511 1.00 0.00 H new ATOM 0 HA VAL A 74 0.600 -10.965 -14.045 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.059 -8.447 -13.598 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.312 -7.820 -15.858 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.056 -7.981 -14.730 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.722 -9.268 -15.913 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.342 -9.198 -15.560 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.391 -10.701 -15.603 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.452 -10.359 -14.216 1.00 0.00 H new ATOM 1089 N LEU A 75 0.927 -8.823 -11.557 1.00 0.00 N ATOM 1090 CA LEU A 75 1.897 -8.069 -10.771 1.00 0.00 C ATOM 1091 C LEU A 75 2.686 -8.993 -9.849 1.00 0.00 C ATOM 1092 O LEU A 75 3.917 -8.988 -9.853 1.00 0.00 O ATOM 1093 CB LEU A 75 1.190 -6.992 -9.948 1.00 0.00 C ATOM 1094 CG LEU A 75 0.139 -6.163 -10.688 1.00 0.00 C ATOM 1095 CD1 LEU A 75 -0.648 -5.303 -9.712 1.00 0.00 C ATOM 1096 CD2 LEU A 75 0.797 -5.298 -11.754 1.00 0.00 C ATOM 0 H LEU A 75 -0.020 -8.816 -11.178 1.00 0.00 H new ATOM 0 HA LEU A 75 2.593 -7.592 -11.460 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.711 -7.472 -9.095 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.945 -6.314 -9.550 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.555 -6.846 -11.179 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.391 -4.721 -10.257 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.150 -5.943 -8.986 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.032 -4.628 -9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.035 -4.715 -12.271 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.513 -4.624 -11.284 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.315 -5.935 -12.471 1.00 0.00 H new ATOM 1108 N ALA A 76 1.969 -9.787 -9.060 1.00 0.00 N ATOM 1109 CA ALA A 76 2.601 -10.720 -8.136 1.00 0.00 C ATOM 1110 C ALA A 76 3.710 -11.508 -8.825 1.00 0.00 C ATOM 1111 O ALA A 76 4.790 -11.698 -8.265 1.00 0.00 O ATOM 1112 CB ALA A 76 1.565 -11.666 -7.549 1.00 0.00 C ATOM 0 H ALA A 76 0.949 -9.802 -9.043 1.00 0.00 H new ATOM 0 HA ALA A 76 3.049 -10.144 -7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.052 -12.357 -6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.810 -11.091 -7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.090 -12.229 -8.352 1.00 0.00 H new ATOM 1118 N SER A 77 3.436 -11.966 -10.042 1.00 0.00 N ATOM 1119 CA SER A 77 4.410 -12.738 -10.805 1.00 0.00 C ATOM 1120 C SER A 77 5.530 -11.840 -11.322 1.00 0.00 C ATOM 1121 O SER A 77 6.698 -12.229 -11.330 1.00 0.00 O ATOM 1122 CB SER A 77 3.726 -13.445 -11.977 1.00 0.00 C ATOM 1123 OG SER A 77 4.484 -14.560 -12.413 1.00 0.00 O ATOM 0 H SER A 77 2.548 -11.816 -10.521 1.00 0.00 H new ATOM 0 HA SER A 77 4.844 -13.486 -10.142 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.731 -13.773 -11.677 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.596 -12.745 -12.802 1.00 0.00 H new ATOM 0 HG SER A 77 4.025 -14.995 -13.161 1.00 0.00 H new ATOM 1129 N ARG A 78 5.165 -10.638 -11.753 1.00 0.00 N ATOM 1130 CA ARG A 78 6.138 -9.684 -12.273 1.00 0.00 C ATOM 1131 C ARG A 78 7.311 -9.526 -11.310 1.00 0.00 C ATOM 1132 O ARG A 78 8.472 -9.601 -11.713 1.00 0.00 O ATOM 1133 CB ARG A 78 5.475 -8.327 -12.514 1.00 0.00 C ATOM 1134 CG ARG A 78 6.367 -7.335 -13.242 1.00 0.00 C ATOM 1135 CD ARG A 78 5.778 -5.933 -13.215 1.00 0.00 C ATOM 1136 NE ARG A 78 6.807 -4.904 -13.349 1.00 0.00 N ATOM 1137 CZ ARG A 78 7.354 -4.559 -14.509 1.00 0.00 C ATOM 1138 NH1 ARG A 78 6.972 -5.155 -15.630 1.00 0.00 N ATOM 1139 NH2 ARG A 78 8.284 -3.614 -14.550 1.00 0.00 N ATOM 0 H ARG A 78 4.202 -10.301 -11.753 1.00 0.00 H new ATOM 0 HA ARG A 78 6.517 -10.068 -13.220 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.563 -8.475 -13.092 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.179 -7.901 -11.555 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.354 -7.325 -12.781 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.501 -7.655 -14.275 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.054 -5.829 -14.023 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.237 -5.785 -12.280 1.00 0.00 H new ATOM 0 HE ARG A 78 7.122 -4.425 -12.506 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.256 -5.881 -15.603 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.394 -4.888 -16.519 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.580 -3.152 -13.690 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.704 -3.350 -15.441 1.00 0.00 H new ATOM 1153 N TYR A 79 7.000 -9.305 -10.038 1.00 0.00 N ATOM 1154 CA TYR A 79 8.029 -9.133 -9.019 1.00 0.00 C ATOM 1155 C TYR A 79 8.216 -10.414 -8.212 1.00 0.00 C ATOM 1156 O TYR A 79 9.251 -10.617 -7.578 1.00 0.00 O ATOM 1157 CB TYR A 79 7.662 -7.978 -8.085 1.00 0.00 C ATOM 1158 CG TYR A 79 7.005 -6.814 -8.791 1.00 0.00 C ATOM 1159 CD1 TYR A 79 7.768 -5.809 -9.373 1.00 0.00 C ATOM 1160 CD2 TYR A 79 5.621 -6.718 -8.875 1.00 0.00 C ATOM 1161 CE1 TYR A 79 7.172 -4.743 -10.018 1.00 0.00 C ATOM 1162 CE2 TYR A 79 5.017 -5.656 -9.519 1.00 0.00 C ATOM 1163 CZ TYR A 79 5.796 -4.671 -10.089 1.00 0.00 C ATOM 1164 OH TYR A 79 5.198 -3.611 -10.731 1.00 0.00 O ATOM 0 H TYR A 79 6.044 -9.241 -9.688 1.00 0.00 H new ATOM 0 HA TYR A 79 8.968 -8.902 -9.522 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.991 -8.348 -7.310 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.564 -7.626 -7.584 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.845 -5.862 -9.320 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.007 -7.487 -8.429 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.780 -3.970 -10.464 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.940 -5.597 -9.576 1.00 0.00 H new ATOM 0 HH TYR A 79 4.536 -3.200 -10.137 1.00 0.00 H new ATOM 1174 N GLY A 80 7.206 -11.278 -8.242 1.00 0.00 N ATOM 1175 CA GLY A 80 7.278 -12.530 -7.511 1.00 0.00 C ATOM 1176 C GLY A 80 6.920 -12.368 -6.047 1.00 0.00 C ATOM 1177 O GLY A 80 7.790 -12.436 -5.178 1.00 0.00 O ATOM 0 H GLY A 80 6.339 -11.133 -8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.604 -13.254 -7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.286 -12.937 -7.593 1.00 0.00 H new ATOM 1181 N ILE A 81 5.638 -12.151 -5.774 1.00 0.00 N ATOM 1182 CA ILE A 81 5.168 -11.978 -4.405 1.00 0.00 C ATOM 1183 C ILE A 81 4.455 -13.230 -3.906 1.00 0.00 C ATOM 1184 O ILE A 81 3.395 -13.596 -4.413 1.00 0.00 O ATOM 1185 CB ILE A 81 4.214 -10.775 -4.285 1.00 0.00 C ATOM 1186 CG1 ILE A 81 4.800 -9.558 -5.004 1.00 0.00 C ATOM 1187 CG2 ILE A 81 3.948 -10.454 -2.822 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.782 -8.773 -4.163 1.00 0.00 C ATOM 0 H ILE A 81 4.906 -12.091 -6.482 1.00 0.00 H new ATOM 0 HA ILE A 81 6.049 -11.795 -3.790 1.00 0.00 H new ATOM 0 HB ILE A 81 3.267 -11.033 -4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.298 -9.890 -5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.986 -8.899 -5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.272 -9.602 -2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.493 -11.318 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.888 -10.212 -2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.156 -7.925 -4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.283 -8.411 -3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.615 -9.417 -3.881 1.00 0.00 H new ATOM 1200 N ARG A 82 5.043 -13.881 -2.908 1.00 0.00 N ATOM 1201 CA ARG A 82 4.463 -15.092 -2.340 1.00 0.00 C ATOM 1202 C ARG A 82 4.415 -15.009 -0.817 1.00 0.00 C ATOM 1203 O ARG A 82 3.527 -15.575 -0.182 1.00 0.00 O ATOM 1204 CB ARG A 82 5.270 -16.319 -2.769 1.00 0.00 C ATOM 1205 CG ARG A 82 5.247 -16.569 -4.268 1.00 0.00 C ATOM 1206 CD ARG A 82 3.993 -17.319 -4.689 1.00 0.00 C ATOM 1207 NE ARG A 82 3.845 -17.368 -6.141 1.00 0.00 N ATOM 1208 CZ ARG A 82 3.093 -18.261 -6.774 1.00 0.00 C ATOM 1209 NH1 ARG A 82 2.424 -19.176 -6.086 1.00 0.00 N ATOM 1210 NH2 ARG A 82 3.010 -18.241 -8.098 1.00 0.00 N ATOM 0 H ARG A 82 5.920 -13.590 -2.476 1.00 0.00 H new ATOM 0 HA ARG A 82 3.444 -15.187 -2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.304 -16.195 -2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.879 -17.198 -2.256 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.298 -15.618 -4.797 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.129 -17.142 -4.556 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.028 -18.334 -4.294 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.119 -16.837 -4.252 1.00 0.00 H new ATOM 0 HE ARG A 82 4.347 -16.678 -6.700 1.00 0.00 H new ATOM 0 HH11 ARG A 82 2.486 -19.195 -5.068 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.847 -19.861 -6.575 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.524 -17.539 -8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.432 -18.927 -8.583 1.00 0.00 H new ATOM 1224 N GLY A 83 5.379 -14.300 -0.237 1.00 0.00 N ATOM 1225 CA GLY A 83 5.429 -14.156 1.206 1.00 0.00 C ATOM 1226 C GLY A 83 4.829 -12.847 1.680 1.00 0.00 C ATOM 1227 O GLY A 83 5.507 -11.820 1.711 1.00 0.00 O ATOM 0 H GLY A 83 6.126 -13.823 -0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.895 -14.986 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.465 -14.218 1.538 1.00 0.00 H new ATOM 1231 N PHE A 84 3.553 -12.882 2.048 1.00 0.00 N ATOM 1232 CA PHE A 84 2.860 -11.689 2.519 1.00 0.00 C ATOM 1233 C PHE A 84 2.915 -11.593 4.041 1.00 0.00 C ATOM 1234 O PHE A 84 3.052 -12.593 4.746 1.00 0.00 O ATOM 1235 CB PHE A 84 1.403 -11.700 2.050 1.00 0.00 C ATOM 1236 CG PHE A 84 1.189 -12.467 0.777 1.00 0.00 C ATOM 1237 CD1 PHE A 84 2.025 -12.275 -0.312 1.00 0.00 C ATOM 1238 CD2 PHE A 84 0.153 -13.379 0.668 1.00 0.00 C ATOM 1239 CE1 PHE A 84 1.830 -12.979 -1.485 1.00 0.00 C ATOM 1240 CE2 PHE A 84 -0.047 -14.086 -0.503 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.793 -13.886 -1.580 1.00 0.00 C ATOM 0 H PHE A 84 2.978 -13.724 2.029 1.00 0.00 H new ATOM 0 HA PHE A 84 3.363 -10.818 2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.781 -12.132 2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.068 -10.673 1.907 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.838 -11.567 -0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.507 -13.540 1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.488 -12.820 -2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.859 -14.794 -0.575 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.639 -14.438 -2.495 1.00 0.00 H new ATOM 1251 N PRO A 85 2.807 -10.361 4.561 1.00 0.00 N ATOM 1252 CA PRO A 85 2.645 -9.164 3.731 1.00 0.00 C ATOM 1253 C PRO A 85 3.907 -8.828 2.944 1.00 0.00 C ATOM 1254 O PRO A 85 5.001 -9.283 3.281 1.00 0.00 O ATOM 1255 CB PRO A 85 2.342 -8.064 4.751 1.00 0.00 C ATOM 1256 CG PRO A 85 2.957 -8.544 6.020 1.00 0.00 C ATOM 1257 CD PRO A 85 2.836 -10.043 5.998 1.00 0.00 C ATOM 0 HA PRO A 85 1.867 -9.293 2.978 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.767 -7.109 4.442 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.268 -7.913 4.864 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.001 -8.238 6.088 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.445 -8.124 6.885 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.678 -10.522 6.499 1.00 0.00 H new ATOM 0 HD3 PRO A 85 1.931 -10.381 6.503 1.00 0.00 H new ATOM 1265 N THR A 86 3.749 -8.028 1.894 1.00 0.00 N ATOM 1266 CA THR A 86 4.876 -7.631 1.060 1.00 0.00 C ATOM 1267 C THR A 86 4.772 -6.165 0.655 1.00 0.00 C ATOM 1268 O THR A 86 3.927 -5.796 -0.162 1.00 0.00 O ATOM 1269 CB THR A 86 4.967 -8.498 -0.211 1.00 0.00 C ATOM 1270 OG1 THR A 86 5.006 -9.884 0.144 1.00 0.00 O ATOM 1271 CG2 THR A 86 6.203 -8.141 -1.022 1.00 0.00 C ATOM 0 H THR A 86 2.851 -7.642 1.601 1.00 0.00 H new ATOM 0 HA THR A 86 5.777 -7.777 1.656 1.00 0.00 H new ATOM 0 HB THR A 86 4.084 -8.305 -0.821 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.391 -9.981 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.246 -8.766 -1.914 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.155 -7.092 -1.315 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.095 -8.309 -0.419 1.00 0.00 H new ATOM 1279 N ILE A 87 5.634 -5.334 1.230 1.00 0.00 N ATOM 1280 CA ILE A 87 5.639 -3.908 0.927 1.00 0.00 C ATOM 1281 C ILE A 87 6.718 -3.567 -0.095 1.00 0.00 C ATOM 1282 O ILE A 87 7.896 -3.861 0.108 1.00 0.00 O ATOM 1283 CB ILE A 87 5.863 -3.064 2.195 1.00 0.00 C ATOM 1284 CG1 ILE A 87 4.752 -3.327 3.213 1.00 0.00 C ATOM 1285 CG2 ILE A 87 5.926 -1.585 1.842 1.00 0.00 C ATOM 1286 CD1 ILE A 87 5.199 -3.171 4.650 1.00 0.00 C ATOM 0 H ILE A 87 6.338 -5.623 1.909 1.00 0.00 H new ATOM 0 HA ILE A 87 4.660 -3.670 0.511 1.00 0.00 H new ATOM 0 HB ILE A 87 6.814 -3.352 2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.926 -2.642 3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.369 -4.337 3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.085 -1.001 2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.750 -1.411 1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.989 -1.282 1.375 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.360 -3.372 5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.005 -3.875 4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.555 -2.153 4.812 1.00 0.00 H new ATOM 1298 N LYS A 88 6.308 -2.944 -1.194 1.00 0.00 N ATOM 1299 CA LYS A 88 7.239 -2.558 -2.248 1.00 0.00 C ATOM 1300 C LYS A 88 7.018 -1.108 -2.666 1.00 0.00 C ATOM 1301 O LYS A 88 5.887 -0.691 -2.921 1.00 0.00 O ATOM 1302 CB LYS A 88 7.078 -3.479 -3.460 1.00 0.00 C ATOM 1303 CG LYS A 88 7.423 -4.930 -3.171 1.00 0.00 C ATOM 1304 CD LYS A 88 8.888 -5.222 -3.451 1.00 0.00 C ATOM 1305 CE LYS A 88 9.096 -6.665 -3.883 1.00 0.00 C ATOM 1306 NZ LYS A 88 10.331 -6.827 -4.699 1.00 0.00 N ATOM 0 H LYS A 88 5.336 -2.695 -1.378 1.00 0.00 H new ATOM 0 HA LYS A 88 8.252 -2.654 -1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.049 -3.423 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.714 -3.117 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.199 -5.158 -2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.798 -5.582 -3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.251 -4.552 -4.230 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.478 -5.020 -2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.157 -7.303 -3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.233 -7.000 -4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.113 -7.381 -5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.689 -5.891 -4.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.054 -7.323 -4.140 1.00 0.00 H new ATOM 1320 N ILE A 89 8.103 -0.345 -2.736 1.00 0.00 N ATOM 1321 CA ILE A 89 8.027 1.057 -3.126 1.00 0.00 C ATOM 1322 C ILE A 89 8.364 1.237 -4.602 1.00 0.00 C ATOM 1323 O ILE A 89 9.335 0.668 -5.102 1.00 0.00 O ATOM 1324 CB ILE A 89 8.979 1.928 -2.284 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.568 1.894 -0.811 1.00 0.00 C ATOM 1326 CG2 ILE A 89 8.988 3.357 -2.804 1.00 0.00 C ATOM 1327 CD1 ILE A 89 9.062 0.668 -0.074 1.00 0.00 C ATOM 0 H ILE A 89 9.046 -0.674 -2.528 1.00 0.00 H new ATOM 0 HA ILE A 89 7.001 1.378 -2.949 1.00 0.00 H new ATOM 0 HB ILE A 89 9.988 1.525 -2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 89 8.951 2.785 -0.315 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.481 1.935 -0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.665 3.960 -2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.324 3.365 -3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.982 3.772 -2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 89 8.734 0.711 0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.658 -0.228 -0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.151 0.637 -0.109 1.00 0.00 H new ATOM 1339 N PHE A 90 7.556 2.033 -5.295 1.00 0.00 N ATOM 1340 CA PHE A 90 7.769 2.289 -6.715 1.00 0.00 C ATOM 1341 C PHE A 90 8.033 3.770 -6.967 1.00 0.00 C ATOM 1342 O PHE A 90 7.281 4.631 -6.511 1.00 0.00 O ATOM 1343 CB PHE A 90 6.554 1.830 -7.525 1.00 0.00 C ATOM 1344 CG PHE A 90 6.425 0.337 -7.618 1.00 0.00 C ATOM 1345 CD1 PHE A 90 5.856 -0.389 -6.584 1.00 0.00 C ATOM 1346 CD2 PHE A 90 6.873 -0.342 -8.740 1.00 0.00 C ATOM 1347 CE1 PHE A 90 5.736 -1.763 -6.667 1.00 0.00 C ATOM 1348 CE2 PHE A 90 6.755 -1.716 -8.829 1.00 0.00 C ATOM 1349 CZ PHE A 90 6.186 -2.427 -7.791 1.00 0.00 C ATOM 0 H PHE A 90 6.748 2.512 -4.897 1.00 0.00 H new ATOM 0 HA PHE A 90 8.644 1.723 -7.034 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.650 2.237 -7.072 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.620 2.244 -8.531 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.502 0.125 -5.703 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.320 0.209 -9.554 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.291 -2.317 -5.854 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.107 -2.233 -9.709 1.00 0.00 H new ATOM 0 HZ PHE A 90 6.093 -3.501 -7.858 1.00 0.00 H new ATOM 1359 N GLN A 91 9.106 4.058 -7.695 1.00 0.00 N ATOM 1360 CA GLN A 91 9.471 5.435 -8.007 1.00 0.00 C ATOM 1361 C GLN A 91 9.467 5.672 -9.514 1.00 0.00 C ATOM 1362 O GLN A 91 9.916 4.826 -10.287 1.00 0.00 O ATOM 1363 CB GLN A 91 10.849 5.764 -7.431 1.00 0.00 C ATOM 1364 CG GLN A 91 10.804 6.276 -6.000 1.00 0.00 C ATOM 1365 CD GLN A 91 12.172 6.669 -5.478 1.00 0.00 C ATOM 1366 OE1 GLN A 91 12.886 7.455 -6.102 1.00 0.00 O ATOM 1367 NE2 GLN A 91 12.546 6.122 -4.327 1.00 0.00 N ATOM 0 H GLN A 91 9.738 3.356 -8.080 1.00 0.00 H new ATOM 0 HA GLN A 91 8.729 6.092 -7.552 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.472 4.871 -7.469 1.00 0.00 H new ATOM 0 HB3 GLN A 91 11.328 6.513 -8.061 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.138 7.137 -5.947 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.381 5.505 -5.355 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.923 5.475 -3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.456 6.348 -3.927 1.00 0.00 H new ATOM 1376 N LYS A 92 8.955 6.827 -9.925 1.00 0.00 N ATOM 1377 CA LYS A 92 8.893 7.177 -11.339 1.00 0.00 C ATOM 1378 C LYS A 92 10.293 7.302 -11.931 1.00 0.00 C ATOM 1379 O LYS A 92 11.039 8.222 -11.598 1.00 0.00 O ATOM 1380 CB LYS A 92 8.129 8.489 -11.528 1.00 0.00 C ATOM 1381 CG LYS A 92 7.631 8.704 -12.946 1.00 0.00 C ATOM 1382 CD LYS A 92 6.461 7.790 -13.271 1.00 0.00 C ATOM 1383 CE LYS A 92 6.419 7.443 -14.751 1.00 0.00 C ATOM 1384 NZ LYS A 92 5.635 8.439 -15.533 1.00 0.00 N ATOM 0 H LYS A 92 8.577 7.537 -9.298 1.00 0.00 H new ATOM 0 HA LYS A 92 8.367 6.379 -11.862 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.278 8.506 -10.847 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.777 9.320 -11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.328 9.743 -13.072 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.443 8.521 -13.650 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.539 6.875 -12.684 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.528 8.275 -12.983 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.436 7.394 -15.141 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.980 6.454 -14.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.783 8.276 -16.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.624 8.338 -15.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.950 9.399 -15.287 1.00 0.00 H new ATOM 1398 N GLY A 93 10.644 6.370 -12.812 1.00 0.00 N ATOM 1399 CA GLY A 93 11.953 6.395 -13.437 1.00 0.00 C ATOM 1400 C GLY A 93 12.902 5.376 -12.837 1.00 0.00 C ATOM 1401 O GLY A 93 13.522 4.596 -13.560 1.00 0.00 O ATOM 0 H GLY A 93 10.045 5.598 -13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.846 6.203 -14.505 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.382 7.392 -13.334 1.00 0.00 H new ATOM 1405 N GLU A 94 13.015 5.382 -11.513 1.00 0.00 N ATOM 1406 CA GLU A 94 13.897 4.452 -10.818 1.00 0.00 C ATOM 1407 C GLU A 94 13.202 3.115 -10.583 1.00 0.00 C ATOM 1408 O GLU A 94 11.977 3.018 -10.661 1.00 0.00 O ATOM 1409 CB GLU A 94 14.349 5.046 -9.481 1.00 0.00 C ATOM 1410 CG GLU A 94 15.237 6.270 -9.628 1.00 0.00 C ATOM 1411 CD GLU A 94 16.165 6.463 -8.445 1.00 0.00 C ATOM 1412 OE1 GLU A 94 16.609 5.449 -7.866 1.00 0.00 O ATOM 1413 OE2 GLU A 94 16.448 7.629 -8.097 1.00 0.00 O ATOM 0 H GLU A 94 12.507 6.020 -10.900 1.00 0.00 H new ATOM 0 HA GLU A 94 14.771 4.282 -11.447 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.469 5.314 -8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.886 4.283 -8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.829 6.177 -10.538 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.612 7.156 -9.743 1.00 0.00 H new ATOM 1420 N SER A 95 13.992 2.085 -10.296 1.00 0.00 N ATOM 1421 CA SER A 95 13.454 0.752 -10.055 1.00 0.00 C ATOM 1422 C SER A 95 12.842 0.657 -8.660 1.00 0.00 C ATOM 1423 O SER A 95 13.232 1.368 -7.734 1.00 0.00 O ATOM 1424 CB SER A 95 14.552 -0.301 -10.215 1.00 0.00 C ATOM 1425 OG SER A 95 15.547 -0.156 -9.216 1.00 0.00 O ATOM 0 H SER A 95 15.008 2.149 -10.225 1.00 0.00 H new ATOM 0 HA SER A 95 12.671 0.565 -10.790 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.115 -1.298 -10.156 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.007 -0.210 -11.201 1.00 0.00 H new ATOM 0 HG SER A 95 16.236 -0.842 -9.339 1.00 0.00 H new ATOM 1431 N PRO A 96 11.859 -0.242 -8.506 1.00 0.00 N ATOM 1432 CA PRO A 96 11.172 -0.452 -7.228 1.00 0.00 C ATOM 1433 C PRO A 96 12.071 -1.111 -6.188 1.00 0.00 C ATOM 1434 O PRO A 96 12.813 -2.045 -6.495 1.00 0.00 O ATOM 1435 CB PRO A 96 10.013 -1.381 -7.598 1.00 0.00 C ATOM 1436 CG PRO A 96 10.476 -2.098 -8.819 1.00 0.00 C ATOM 1437 CD PRO A 96 11.343 -1.124 -9.567 1.00 0.00 C ATOM 0 HA PRO A 96 10.856 0.488 -6.776 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.791 -2.078 -6.790 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.101 -0.817 -7.792 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.035 -2.996 -8.556 1.00 0.00 H new ATOM 0 HG3 PRO A 96 9.631 -2.416 -9.429 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.150 -1.629 -10.097 1.00 0.00 H new ATOM 0 HD3 PRO A 96 10.773 -0.567 -10.311 1.00 0.00 H new ATOM 1445 N VAL A 97 12.000 -0.620 -4.955 1.00 0.00 N ATOM 1446 CA VAL A 97 12.807 -1.162 -3.868 1.00 0.00 C ATOM 1447 C VAL A 97 11.991 -2.112 -2.999 1.00 0.00 C ATOM 1448 O VAL A 97 10.762 -2.051 -2.981 1.00 0.00 O ATOM 1449 CB VAL A 97 13.383 -0.041 -2.983 1.00 0.00 C ATOM 1450 CG1 VAL A 97 14.464 0.727 -3.730 1.00 0.00 C ATOM 1451 CG2 VAL A 97 12.276 0.894 -2.521 1.00 0.00 C ATOM 0 H VAL A 97 11.392 0.152 -4.684 1.00 0.00 H new ATOM 0 HA VAL A 97 13.629 -1.710 -4.328 1.00 0.00 H new ATOM 0 HB VAL A 97 13.836 -0.494 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.859 1.515 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.269 0.046 -4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.039 1.171 -4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 97 12.701 1.680 -1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.792 1.342 -3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.541 0.331 -1.946 1.00 0.00 H new ATOM 1461 N ASP A 98 12.683 -2.988 -2.279 1.00 0.00 N ATOM 1462 CA ASP A 98 12.022 -3.951 -1.405 1.00 0.00 C ATOM 1463 C ASP A 98 12.016 -3.459 0.039 1.00 0.00 C ATOM 1464 O ASP A 98 13.069 -3.322 0.663 1.00 0.00 O ATOM 1465 CB ASP A 98 12.718 -5.310 -1.491 1.00 0.00 C ATOM 1466 CG ASP A 98 12.549 -5.962 -2.849 1.00 0.00 C ATOM 1467 OD1 ASP A 98 12.575 -5.235 -3.864 1.00 0.00 O ATOM 1468 OD2 ASP A 98 12.391 -7.200 -2.897 1.00 0.00 O ATOM 0 H ASP A 98 13.701 -3.051 -2.283 1.00 0.00 H new ATOM 0 HA ASP A 98 10.990 -4.058 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 98 13.780 -5.185 -1.281 1.00 0.00 H new ATOM 0 HB3 ASP A 98 12.317 -5.970 -0.722 1.00 0.00 H new ATOM 1473 N TYR A 99 10.825 -3.193 0.563 1.00 0.00 N ATOM 1474 CA TYR A 99 10.682 -2.713 1.932 1.00 0.00 C ATOM 1475 C TYR A 99 10.812 -3.861 2.928 1.00 0.00 C ATOM 1476 O TYR A 99 9.974 -4.763 2.966 1.00 0.00 O ATOM 1477 CB TYR A 99 9.332 -2.017 2.112 1.00 0.00 C ATOM 1478 CG TYR A 99 9.088 -1.524 3.520 1.00 0.00 C ATOM 1479 CD1 TYR A 99 8.712 -2.402 4.530 1.00 0.00 C ATOM 1480 CD2 TYR A 99 9.233 -0.180 3.842 1.00 0.00 C ATOM 1481 CE1 TYR A 99 8.488 -1.956 5.818 1.00 0.00 C ATOM 1482 CE2 TYR A 99 9.012 0.275 5.127 1.00 0.00 C ATOM 1483 CZ TYR A 99 8.639 -0.617 6.111 1.00 0.00 C ATOM 1484 OH TYR A 99 8.418 -0.169 7.394 1.00 0.00 O ATOM 0 H TYR A 99 9.944 -3.302 0.060 1.00 0.00 H new ATOM 0 HA TYR A 99 11.481 -1.997 2.124 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.274 -1.173 1.425 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.536 -2.709 1.835 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.593 -3.451 4.304 1.00 0.00 H new ATOM 0 HD2 TYR A 99 9.524 0.521 3.074 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.196 -2.652 6.591 1.00 0.00 H new ATOM 0 HE2 TYR A 99 9.130 1.323 5.360 1.00 0.00 H new ATOM 0 HH TYR A 99 8.791 0.732 7.495 1.00 0.00 H new ATOM 1494 N ASP A 100 11.868 -3.820 3.734 1.00 0.00 N ATOM 1495 CA ASP A 100 12.108 -4.855 4.732 1.00 0.00 C ATOM 1496 C ASP A 100 12.301 -4.241 6.115 1.00 0.00 C ATOM 1497 O ASP A 100 13.424 -3.949 6.525 1.00 0.00 O ATOM 1498 CB ASP A 100 13.336 -5.684 4.353 1.00 0.00 C ATOM 1499 CG ASP A 100 13.326 -6.099 2.895 1.00 0.00 C ATOM 1500 OD1 ASP A 100 12.239 -6.436 2.382 1.00 0.00 O ATOM 1501 OD2 ASP A 100 14.406 -6.088 2.267 1.00 0.00 O ATOM 0 H ASP A 100 12.571 -3.081 3.715 1.00 0.00 H new ATOM 0 HA ASP A 100 11.235 -5.506 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 100 14.238 -5.107 4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.378 -6.574 4.981 1.00 0.00 H new ATOM 1506 N GLY A 101 11.197 -4.046 6.831 1.00 0.00 N ATOM 1507 CA GLY A 101 11.267 -3.466 8.159 1.00 0.00 C ATOM 1508 C GLY A 101 10.114 -3.900 9.042 1.00 0.00 C ATOM 1509 O GLY A 101 9.445 -4.893 8.758 1.00 0.00 O ATOM 0 H GLY A 101 10.256 -4.280 6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.208 -3.753 8.628 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.269 -2.379 8.078 1.00 0.00 H new ATOM 1513 N GLY A 102 9.881 -3.155 10.119 1.00 0.00 N ATOM 1514 CA GLY A 102 8.802 -3.486 11.031 1.00 0.00 C ATOM 1515 C GLY A 102 7.441 -3.427 10.364 1.00 0.00 C ATOM 1516 O GLY A 102 7.269 -2.754 9.348 1.00 0.00 O ATOM 0 H GLY A 102 10.420 -2.328 10.376 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.964 -4.486 11.432 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.820 -2.797 11.875 1.00 0.00 H new ATOM 1520 N ARG A 103 6.473 -4.134 10.937 1.00 0.00 N ATOM 1521 CA ARG A 103 5.121 -4.162 10.390 1.00 0.00 C ATOM 1522 C ARG A 103 4.191 -3.257 11.194 1.00 0.00 C ATOM 1523 O ARG A 103 3.083 -3.653 11.556 1.00 0.00 O ATOM 1524 CB ARG A 103 4.580 -5.592 10.384 1.00 0.00 C ATOM 1525 CG ARG A 103 3.367 -5.780 9.488 1.00 0.00 C ATOM 1526 CD ARG A 103 2.899 -7.227 9.480 1.00 0.00 C ATOM 1527 NE ARG A 103 2.281 -7.610 10.746 1.00 0.00 N ATOM 1528 CZ ARG A 103 2.968 -8.037 11.800 1.00 0.00 C ATOM 1529 NH1 ARG A 103 4.288 -8.134 11.740 1.00 0.00 N ATOM 1530 NH2 ARG A 103 2.333 -8.367 12.918 1.00 0.00 N ATOM 0 H ARG A 103 6.599 -4.695 11.779 1.00 0.00 H new ATOM 0 HA ARG A 103 5.162 -3.793 9.365 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.370 -6.269 10.059 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.316 -5.876 11.403 1.00 0.00 H new ATOM 0 HG2 ARG A 103 2.557 -5.136 9.831 1.00 0.00 H new ATOM 0 HG3 ARG A 103 3.612 -5.470 8.472 1.00 0.00 H new ATOM 0 HD2 ARG A 103 2.185 -7.372 8.670 1.00 0.00 H new ATOM 0 HD3 ARG A 103 3.747 -7.881 9.278 1.00 0.00 H new ATOM 0 HE ARG A 103 1.266 -7.546 10.826 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.780 -7.881 10.883 1.00 0.00 H new ATOM 0 HH12 ARG A 103 4.813 -8.462 12.551 1.00 0.00 H new ATOM 0 HH21 ARG A 103 1.317 -8.293 12.968 1.00 0.00 H new ATOM 0 HH22 ARG A 103 2.861 -8.695 13.727 1.00 0.00 H new ATOM 1544 N THR A 104 4.650 -2.041 11.471 1.00 0.00 N ATOM 1545 CA THR A 104 3.861 -1.081 12.233 1.00 0.00 C ATOM 1546 C THR A 104 3.822 0.274 11.537 1.00 0.00 C ATOM 1547 O THR A 104 4.836 0.748 11.023 1.00 0.00 O ATOM 1548 CB THR A 104 4.420 -0.899 13.657 1.00 0.00 C ATOM 1549 OG1 THR A 104 5.800 -0.522 13.597 1.00 0.00 O ATOM 1550 CG2 THR A 104 4.274 -2.180 14.463 1.00 0.00 C ATOM 0 H THR A 104 5.565 -1.697 11.179 1.00 0.00 H new ATOM 0 HA THR A 104 2.850 -1.483 12.297 1.00 0.00 H new ATOM 0 HB THR A 104 3.850 -0.111 14.150 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.147 -0.407 14.506 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.676 -2.027 15.465 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.220 -2.449 14.532 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.822 -2.984 13.971 1.00 0.00 H new ATOM 1558 N ARG A 105 2.647 0.895 11.525 1.00 0.00 N ATOM 1559 CA ARG A 105 2.477 2.197 10.891 1.00 0.00 C ATOM 1560 C ARG A 105 3.677 3.097 11.168 1.00 0.00 C ATOM 1561 O ARG A 105 4.130 3.832 10.291 1.00 0.00 O ATOM 1562 CB ARG A 105 1.196 2.868 11.392 1.00 0.00 C ATOM 1563 CG ARG A 105 1.313 3.431 12.798 1.00 0.00 C ATOM 1564 CD ARG A 105 -0.049 3.568 13.460 1.00 0.00 C ATOM 1565 NE ARG A 105 0.037 4.229 14.759 1.00 0.00 N ATOM 1566 CZ ARG A 105 -1.016 4.714 15.408 1.00 0.00 C ATOM 1567 NH1 ARG A 105 -2.229 4.611 14.881 1.00 0.00 N ATOM 1568 NH2 ARG A 105 -0.858 5.302 16.586 1.00 0.00 N ATOM 0 H ARG A 105 1.799 0.517 11.947 1.00 0.00 H new ATOM 0 HA ARG A 105 2.401 2.042 9.815 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.927 3.673 10.709 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.382 2.143 11.367 1.00 0.00 H new ATOM 0 HG2 ARG A 105 1.947 2.780 13.400 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.800 4.405 12.761 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.713 4.135 12.808 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.492 2.580 13.585 1.00 0.00 H new ATOM 0 HE ARG A 105 0.956 4.324 15.192 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.355 4.159 13.976 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -3.036 4.984 15.381 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.073 5.382 16.995 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.667 5.674 17.083 1.00 0.00 H new ATOM 1582 N SER A 106 4.187 3.035 12.394 1.00 0.00 N ATOM 1583 CA SER A 106 5.332 3.847 12.788 1.00 0.00 C ATOM 1584 C SER A 106 6.466 3.716 11.776 1.00 0.00 C ATOM 1585 O SER A 106 6.876 4.697 11.155 1.00 0.00 O ATOM 1586 CB SER A 106 5.823 3.435 14.177 1.00 0.00 C ATOM 1587 OG SER A 106 6.799 4.341 14.662 1.00 0.00 O ATOM 0 H SER A 106 3.825 2.431 13.132 1.00 0.00 H new ATOM 0 HA SER A 106 5.013 4.889 12.817 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.981 3.399 14.868 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.244 2.430 14.134 1.00 0.00 H new ATOM 0 HG SER A 106 7.096 4.057 15.552 1.00 0.00 H new ATOM 1593 N ASP A 107 6.968 2.496 11.615 1.00 0.00 N ATOM 1594 CA ASP A 107 8.053 2.234 10.677 1.00 0.00 C ATOM 1595 C ASP A 107 7.613 2.512 9.244 1.00 0.00 C ATOM 1596 O ASP A 107 8.242 3.296 8.532 1.00 0.00 O ATOM 1597 CB ASP A 107 8.528 0.786 10.806 1.00 0.00 C ATOM 1598 CG ASP A 107 9.080 0.478 12.184 1.00 0.00 C ATOM 1599 OD1 ASP A 107 8.740 1.210 13.137 1.00 0.00 O ATOM 1600 OD2 ASP A 107 9.851 -0.497 12.310 1.00 0.00 O ATOM 0 H ASP A 107 6.641 1.674 12.122 1.00 0.00 H new ATOM 0 HA ASP A 107 8.879 2.903 10.920 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.697 0.114 10.592 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.296 0.591 10.058 1.00 0.00 H new ATOM 1605 N ILE A 108 6.530 1.865 8.826 1.00 0.00 N ATOM 1606 CA ILE A 108 6.006 2.043 7.478 1.00 0.00 C ATOM 1607 C ILE A 108 6.018 3.513 7.074 1.00 0.00 C ATOM 1608 O ILE A 108 6.399 3.858 5.955 1.00 0.00 O ATOM 1609 CB ILE A 108 4.571 1.500 7.355 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.543 -0.002 7.649 1.00 0.00 C ATOM 1611 CG2 ILE A 108 4.013 1.784 5.969 1.00 0.00 C ATOM 1612 CD1 ILE A 108 3.217 -0.488 8.191 1.00 0.00 C ATOM 0 H ILE A 108 5.998 1.213 9.402 1.00 0.00 H new ATOM 0 HA ILE A 108 6.657 1.479 6.810 1.00 0.00 H new ATOM 0 HB ILE A 108 3.944 2.007 8.088 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.774 -0.547 6.734 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.328 -0.238 8.367 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.998 1.394 5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.001 2.860 5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.640 1.302 5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.271 -1.561 8.376 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.993 0.030 9.123 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.430 -0.284 7.465 1.00 0.00 H new ATOM 1624 N VAL A 109 5.599 4.377 7.993 1.00 0.00 N ATOM 1625 CA VAL A 109 5.563 5.812 7.734 1.00 0.00 C ATOM 1626 C VAL A 109 6.971 6.394 7.673 1.00 0.00 C ATOM 1627 O VAL A 109 7.314 7.119 6.739 1.00 0.00 O ATOM 1628 CB VAL A 109 4.757 6.557 8.814 1.00 0.00 C ATOM 1629 CG1 VAL A 109 4.871 8.062 8.621 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.301 6.117 8.790 1.00 0.00 C ATOM 0 H VAL A 109 5.280 4.108 8.924 1.00 0.00 H new ATOM 0 HA VAL A 109 5.075 5.948 6.769 1.00 0.00 H new ATOM 0 HB VAL A 109 5.172 6.307 9.790 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.295 8.572 9.393 1.00 0.00 H new ATOM 0 HG12 VAL A 109 5.917 8.360 8.692 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.482 8.333 7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.746 6.653 9.560 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.871 6.336 7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.242 5.045 8.980 1.00 0.00 H new ATOM 1640 N SER A 110 7.782 6.072 8.675 1.00 0.00 N ATOM 1641 CA SER A 110 9.153 6.566 8.738 1.00 0.00 C ATOM 1642 C SER A 110 9.825 6.479 7.371 1.00 0.00 C ATOM 1643 O SER A 110 10.455 7.434 6.915 1.00 0.00 O ATOM 1644 CB SER A 110 9.958 5.769 9.766 1.00 0.00 C ATOM 1645 OG SER A 110 11.046 6.529 10.263 1.00 0.00 O ATOM 0 H SER A 110 7.514 5.471 9.455 1.00 0.00 H new ATOM 0 HA SER A 110 9.122 7.612 9.043 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.309 5.474 10.591 1.00 0.00 H new ATOM 0 HB3 SER A 110 10.330 4.852 9.309 1.00 0.00 H new ATOM 0 HG SER A 110 11.543 5.998 10.919 1.00 0.00 H new ATOM 1651 N ARG A 111 9.686 5.328 6.722 1.00 0.00 N ATOM 1652 CA ARG A 111 10.280 5.114 5.408 1.00 0.00 C ATOM 1653 C ARG A 111 9.723 6.108 4.392 1.00 0.00 C ATOM 1654 O ARG A 111 10.465 6.901 3.814 1.00 0.00 O ATOM 1655 CB ARG A 111 10.020 3.684 4.933 1.00 0.00 C ATOM 1656 CG ARG A 111 11.001 3.205 3.875 1.00 0.00 C ATOM 1657 CD ARG A 111 12.419 3.139 4.420 1.00 0.00 C ATOM 1658 NE ARG A 111 12.501 2.335 5.637 1.00 0.00 N ATOM 1659 CZ ARG A 111 13.592 2.253 6.391 1.00 0.00 C ATOM 1660 NH1 ARG A 111 14.686 2.922 6.056 1.00 0.00 N ATOM 1661 NH2 ARG A 111 13.589 1.500 7.484 1.00 0.00 N ATOM 0 H ARG A 111 9.167 4.529 7.085 1.00 0.00 H new ATOM 0 HA ARG A 111 11.355 5.271 5.493 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.066 3.012 5.790 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.008 3.622 4.533 1.00 0.00 H new ATOM 0 HG2 ARG A 111 10.701 2.220 3.518 1.00 0.00 H new ATOM 0 HG3 ARG A 111 10.970 3.877 3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 111 13.079 2.718 3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.775 4.148 4.628 1.00 0.00 H new ATOM 0 HE ARG A 111 11.676 1.808 5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 111 14.692 3.502 5.217 1.00 0.00 H new ATOM 0 HH12 ARG A 111 15.522 2.857 6.637 1.00 0.00 H new ATOM 0 HH21 ARG A 111 12.749 0.984 7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 111 14.427 1.437 8.062 1.00 0.00 H new ATOM 1675 N ALA A 112 8.412 6.057 4.180 1.00 0.00 N ATOM 1676 CA ALA A 112 7.756 6.953 3.236 1.00 0.00 C ATOM 1677 C ALA A 112 8.363 8.350 3.293 1.00 0.00 C ATOM 1678 O ALA A 112 8.450 9.042 2.277 1.00 0.00 O ATOM 1679 CB ALA A 112 6.262 7.012 3.516 1.00 0.00 C ATOM 0 H ALA A 112 7.784 5.405 4.649 1.00 0.00 H new ATOM 0 HA ALA A 112 7.911 6.559 2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.785 7.685 2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.834 6.015 3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.096 7.379 4.529 1.00 0.00 H new ATOM 1685 N LEU A 113 8.780 8.761 4.485 1.00 0.00 N ATOM 1686 CA LEU A 113 9.378 10.078 4.674 1.00 0.00 C ATOM 1687 C LEU A 113 10.749 10.154 4.010 1.00 0.00 C ATOM 1688 O LEU A 113 11.011 11.048 3.205 1.00 0.00 O ATOM 1689 CB LEU A 113 9.503 10.393 6.166 1.00 0.00 C ATOM 1690 CG LEU A 113 8.199 10.392 6.964 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.484 10.510 8.453 1.00 0.00 C ATOM 1692 CD2 LEU A 113 7.290 11.521 6.502 1.00 0.00 C ATOM 0 H LEU A 113 8.715 8.201 5.335 1.00 0.00 H new ATOM 0 HA LEU A 113 8.727 10.816 4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 113 10.181 9.667 6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.970 11.372 6.272 1.00 0.00 H new ATOM 0 HG LEU A 113 7.688 9.446 6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.544 10.508 9.005 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.095 9.667 8.774 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.017 11.440 8.649 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.367 11.505 7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.793 12.477 6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.058 11.392 5.445 1.00 0.00 H new ATOM 1704 N ASP A 114 11.619 9.209 4.351 1.00 0.00 N ATOM 1705 CA ASP A 114 12.962 9.167 3.785 1.00 0.00 C ATOM 1706 C ASP A 114 12.922 9.365 2.273 1.00 0.00 C ATOM 1707 O ASP A 114 13.801 10.006 1.697 1.00 0.00 O ATOM 1708 CB ASP A 114 13.638 7.836 4.120 1.00 0.00 C ATOM 1709 CG ASP A 114 15.066 7.769 3.618 1.00 0.00 C ATOM 1710 OD1 ASP A 114 15.690 8.840 3.457 1.00 0.00 O ATOM 1711 OD2 ASP A 114 15.562 6.647 3.386 1.00 0.00 O ATOM 0 H ASP A 114 11.418 8.462 5.016 1.00 0.00 H new ATOM 0 HA ASP A 114 13.540 9.980 4.224 1.00 0.00 H new ATOM 0 HB2 ASP A 114 13.628 7.689 5.200 1.00 0.00 H new ATOM 0 HB3 ASP A 114 13.063 7.020 3.682 1.00 0.00 H new ATOM 1716 N LEU A 115 11.897 8.809 1.636 1.00 0.00 N ATOM 1717 CA LEU A 115 11.742 8.924 0.190 1.00 0.00 C ATOM 1718 C LEU A 115 11.005 10.208 -0.178 1.00 0.00 C ATOM 1719 O LEU A 115 11.384 10.905 -1.120 1.00 0.00 O ATOM 1720 CB LEU A 115 10.985 7.713 -0.359 1.00 0.00 C ATOM 1721 CG LEU A 115 11.494 6.343 0.091 1.00 0.00 C ATOM 1722 CD1 LEU A 115 10.437 5.276 -0.147 1.00 0.00 C ATOM 1723 CD2 LEU A 115 12.784 5.990 -0.634 1.00 0.00 C ATOM 0 H LEU A 115 11.161 8.274 2.098 1.00 0.00 H new ATOM 0 HA LEU A 115 12.736 8.957 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.938 7.802 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.019 7.751 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 115 11.702 6.387 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.817 4.308 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.538 5.522 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.197 5.232 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 115 13.132 5.012 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.602 5.965 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.543 6.740 -0.412 1.00 0.00 H new ATOM 1735 N PHE A 116 9.952 10.516 0.572 1.00 0.00 N ATOM 1736 CA PHE A 116 9.163 11.717 0.325 1.00 0.00 C ATOM 1737 C PHE A 116 10.068 12.917 0.058 1.00 0.00 C ATOM 1738 O PHE A 116 9.716 13.816 -0.706 1.00 0.00 O ATOM 1739 CB PHE A 116 8.251 12.008 1.518 1.00 0.00 C ATOM 1740 CG PHE A 116 7.812 13.442 1.602 1.00 0.00 C ATOM 1741 CD1 PHE A 116 6.919 13.963 0.679 1.00 0.00 C ATOM 1742 CD2 PHE A 116 8.292 14.270 2.604 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.515 15.282 0.753 1.00 0.00 C ATOM 1744 CE2 PHE A 116 7.891 15.590 2.684 1.00 0.00 C ATOM 1745 CZ PHE A 116 7.000 16.096 1.758 1.00 0.00 C ATOM 0 H PHE A 116 9.625 9.951 1.356 1.00 0.00 H new ATOM 0 HA PHE A 116 8.549 11.543 -0.559 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.370 11.370 1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 116 8.773 11.742 2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.534 13.330 -0.107 1.00 0.00 H new ATOM 0 HD2 PHE A 116 8.988 13.879 3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 116 5.821 15.676 0.026 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.274 16.225 3.469 1.00 0.00 H new ATOM 0 HZ PHE A 116 6.683 17.127 1.820 1.00 0.00 H new ATOM 1755 N SER A 117 11.235 12.924 0.694 1.00 0.00 N ATOM 1756 CA SER A 117 12.189 14.014 0.529 1.00 0.00 C ATOM 1757 C SER A 117 12.862 13.945 -0.838 1.00 0.00 C ATOM 1758 O SER A 117 12.966 14.949 -1.543 1.00 0.00 O ATOM 1759 CB SER A 117 13.246 13.966 1.634 1.00 0.00 C ATOM 1760 OG SER A 117 14.272 14.916 1.400 1.00 0.00 O ATOM 0 H SER A 117 11.543 12.187 1.328 1.00 0.00 H new ATOM 0 HA SER A 117 11.644 14.955 0.598 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.778 14.162 2.598 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.677 12.966 1.686 1.00 0.00 H new ATOM 0 HG SER A 117 14.934 14.867 2.121 1.00 0.00 H new ATOM 1766 N ASP A 118 13.318 12.753 -1.206 1.00 0.00 N ATOM 1767 CA ASP A 118 13.981 12.551 -2.490 1.00 0.00 C ATOM 1768 C ASP A 118 13.177 13.181 -3.622 1.00 0.00 C ATOM 1769 O ASP A 118 13.732 13.846 -4.495 1.00 0.00 O ATOM 1770 CB ASP A 118 14.178 11.057 -2.756 1.00 0.00 C ATOM 1771 CG ASP A 118 15.462 10.525 -2.150 1.00 0.00 C ATOM 1772 OD1 ASP A 118 16.451 11.284 -2.097 1.00 0.00 O ATOM 1773 OD2 ASP A 118 15.477 9.349 -1.730 1.00 0.00 O ATOM 0 H ASP A 118 13.241 11.912 -0.634 1.00 0.00 H new ATOM 0 HA ASP A 118 14.956 13.036 -2.449 1.00 0.00 H new ATOM 0 HB2 ASP A 118 13.331 10.504 -2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.187 10.881 -3.832 1.00 0.00 H new ATOM 1778 N ASN A 119 11.865 12.964 -3.601 1.00 0.00 N ATOM 1779 CA ASN A 119 10.984 13.510 -4.627 1.00 0.00 C ATOM 1780 C ASN A 119 10.408 14.853 -4.191 1.00 0.00 C ATOM 1781 O ASN A 119 10.749 15.897 -4.747 1.00 0.00 O ATOM 1782 CB ASN A 119 9.849 12.529 -4.929 1.00 0.00 C ATOM 1783 CG ASN A 119 10.361 11.172 -5.373 1.00 0.00 C ATOM 1784 OD1 ASN A 119 10.494 10.907 -6.568 1.00 0.00 O ATOM 1785 ND2 ASN A 119 10.650 10.305 -4.410 1.00 0.00 N ATOM 0 H ASN A 119 11.389 12.414 -2.885 1.00 0.00 H new ATOM 0 HA ASN A 119 11.572 13.664 -5.532 1.00 0.00 H new ATOM 0 HB2 ASN A 119 9.231 12.408 -4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 119 9.210 12.946 -5.707 1.00 0.00 H new ATOM 0 HD21 ASN A 119 10.998 9.376 -4.648 1.00 0.00 H new ATOM 0 HD22 ASN A 119 10.524 10.568 -3.433 1.00 0.00 H new ATOM 1792 N ALA A 120 9.532 14.819 -3.192 1.00 0.00 N ATOM 1793 CA ALA A 120 8.910 16.034 -2.680 1.00 0.00 C ATOM 1794 C ALA A 120 9.893 16.842 -1.841 1.00 0.00 C ATOM 1795 O ALA A 120 10.826 16.304 -1.244 1.00 0.00 O ATOM 1796 CB ALA A 120 7.674 15.689 -1.862 1.00 0.00 C ATOM 0 H ALA A 120 9.237 13.963 -2.721 1.00 0.00 H new ATOM 0 HA ALA A 120 8.610 16.646 -3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 120 7.219 16.605 -1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.958 15.160 -2.491 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.959 15.054 -1.023 1.00 0.00 H new ATOM 1802 N PRO A 121 9.683 18.166 -1.793 1.00 0.00 N ATOM 1803 CA PRO A 121 10.542 19.077 -1.030 1.00 0.00 C ATOM 1804 C PRO A 121 10.382 18.898 0.476 1.00 0.00 C ATOM 1805 O PRO A 121 9.306 18.568 0.976 1.00 0.00 O ATOM 1806 CB PRO A 121 10.056 20.464 -1.458 1.00 0.00 C ATOM 1807 CG PRO A 121 8.645 20.256 -1.886 1.00 0.00 C ATOM 1808 CD PRO A 121 8.591 18.875 -2.480 1.00 0.00 C ATOM 0 HA PRO A 121 11.600 18.901 -1.227 1.00 0.00 H new ATOM 0 HB2 PRO A 121 10.119 21.177 -0.636 1.00 0.00 H new ATOM 0 HB3 PRO A 121 10.662 20.862 -2.272 1.00 0.00 H new ATOM 0 HG2 PRO A 121 7.964 20.344 -1.040 1.00 0.00 H new ATOM 0 HG3 PRO A 121 8.344 21.007 -2.617 1.00 0.00 H new ATOM 0 HD2 PRO A 121 7.627 18.398 -2.302 1.00 0.00 H new ATOM 0 HD3 PRO A 121 8.741 18.896 -3.559 1.00 0.00 H new ATOM 1816 N PRO A 122 11.477 19.121 1.219 1.00 0.00 N ATOM 1817 CA PRO A 122 11.483 18.992 2.679 1.00 0.00 C ATOM 1818 C PRO A 122 10.676 20.091 3.362 1.00 0.00 C ATOM 1819 O PRO A 122 10.291 21.085 2.746 1.00 0.00 O ATOM 1820 CB PRO A 122 12.965 19.114 3.040 1.00 0.00 C ATOM 1821 CG PRO A 122 13.563 19.899 1.924 1.00 0.00 C ATOM 1822 CD PRO A 122 12.793 19.518 0.690 1.00 0.00 C ATOM 0 HA PRO A 122 11.026 18.059 3.007 1.00 0.00 H new ATOM 0 HB2 PRO A 122 13.099 19.620 3.996 1.00 0.00 H new ATOM 0 HB3 PRO A 122 13.433 18.134 3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 122 13.488 20.969 2.116 1.00 0.00 H new ATOM 0 HG3 PRO A 122 14.622 19.669 1.809 1.00 0.00 H new ATOM 0 HD2 PRO A 122 12.711 20.353 -0.006 1.00 0.00 H new ATOM 0 HD3 PRO A 122 13.274 18.700 0.153 1.00 0.00 H new ATOM 1830 N PRO A 123 10.413 19.911 4.665 1.00 0.00 N ATOM 1831 CA PRO A 123 9.651 20.878 5.459 1.00 0.00 C ATOM 1832 C PRO A 123 10.422 22.173 5.693 1.00 0.00 C ATOM 1833 O PRO A 123 11.623 22.246 5.434 1.00 0.00 O ATOM 1834 CB PRO A 123 9.421 20.146 6.784 1.00 0.00 C ATOM 1835 CG PRO A 123 10.541 19.168 6.875 1.00 0.00 C ATOM 1836 CD PRO A 123 10.842 18.750 5.463 1.00 0.00 C ATOM 0 HA PRO A 123 8.732 21.182 4.958 1.00 0.00 H new ATOM 0 HB2 PRO A 123 9.431 20.838 7.626 1.00 0.00 H new ATOM 0 HB3 PRO A 123 8.454 19.643 6.796 1.00 0.00 H new ATOM 0 HG2 PRO A 123 11.416 19.619 7.343 1.00 0.00 H new ATOM 0 HG3 PRO A 123 10.260 18.309 7.485 1.00 0.00 H new ATOM 0 HD2 PRO A 123 11.902 18.537 5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 123 10.296 17.848 5.186 1.00 0.00 H new ATOM 1844 N GLU A 124 9.723 23.192 6.184 1.00 0.00 N ATOM 1845 CA GLU A 124 10.344 24.484 6.452 1.00 0.00 C ATOM 1846 C GLU A 124 9.953 24.999 7.834 1.00 0.00 C ATOM 1847 O GLU A 124 8.778 25.247 8.107 1.00 0.00 O ATOM 1848 CB GLU A 124 9.938 25.501 5.383 1.00 0.00 C ATOM 1849 CG GLU A 124 8.441 25.754 5.320 1.00 0.00 C ATOM 1850 CD GLU A 124 8.023 26.466 4.048 1.00 0.00 C ATOM 1851 OE1 GLU A 124 8.600 26.164 2.982 1.00 0.00 O ATOM 1852 OE2 GLU A 124 7.119 27.325 4.118 1.00 0.00 O ATOM 0 H GLU A 124 8.728 23.148 6.404 1.00 0.00 H new ATOM 0 HA GLU A 124 11.426 24.351 6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.449 26.444 5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.280 25.148 4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 124 7.912 24.803 5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.140 26.350 6.181 1.00 0.00 H new ATOM 1859 N LEU A 125 10.946 25.158 8.702 1.00 0.00 N ATOM 1860 CA LEU A 125 10.708 25.643 10.057 1.00 0.00 C ATOM 1861 C LEU A 125 12.025 25.898 10.783 1.00 0.00 C ATOM 1862 O LEU A 125 13.077 25.402 10.377 1.00 0.00 O ATOM 1863 CB LEU A 125 9.867 24.634 10.840 1.00 0.00 C ATOM 1864 CG LEU A 125 8.958 25.216 11.924 1.00 0.00 C ATOM 1865 CD1 LEU A 125 7.647 25.694 11.321 1.00 0.00 C ATOM 1866 CD2 LEU A 125 8.702 24.186 13.015 1.00 0.00 C ATOM 0 H LEU A 125 11.924 24.958 8.492 1.00 0.00 H new ATOM 0 HA LEU A 125 10.164 26.585 9.990 1.00 0.00 H new ATOM 0 HB2 LEU A 125 9.248 24.081 10.133 1.00 0.00 H new ATOM 0 HB3 LEU A 125 10.540 23.914 11.306 1.00 0.00 H new ATOM 0 HG LEU A 125 9.461 26.073 12.372 1.00 0.00 H new ATOM 0 HD11 LEU A 125 7.013 26.105 12.107 1.00 0.00 H new ATOM 0 HD12 LEU A 125 7.848 26.465 10.577 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.138 24.855 10.846 1.00 0.00 H new ATOM 0 HD21 LEU A 125 8.054 24.617 13.778 1.00 0.00 H new ATOM 0 HD22 LEU A 125 8.220 23.310 12.582 1.00 0.00 H new ATOM 0 HD23 LEU A 125 9.649 23.892 13.468 1.00 0.00 H new ATOM 1878 N LEU A 126 11.960 26.672 11.861 1.00 0.00 N ATOM 1879 CA LEU A 126 13.147 26.991 12.647 1.00 0.00 C ATOM 1880 C LEU A 126 13.112 26.282 13.997 1.00 0.00 C ATOM 1881 O LEU A 126 12.057 26.161 14.618 1.00 0.00 O ATOM 1882 CB LEU A 126 13.254 28.503 12.854 1.00 0.00 C ATOM 1883 CG LEU A 126 13.942 29.286 11.736 1.00 0.00 C ATOM 1884 CD1 LEU A 126 15.383 28.828 11.572 1.00 0.00 C ATOM 1885 CD2 LEU A 126 13.179 29.132 10.429 1.00 0.00 C ATOM 0 H LEU A 126 11.098 27.090 12.211 1.00 0.00 H new ATOM 0 HA LEU A 126 14.022 26.643 12.097 1.00 0.00 H new ATOM 0 HB2 LEU A 126 12.249 28.904 12.986 1.00 0.00 H new ATOM 0 HB3 LEU A 126 13.794 28.685 13.783 1.00 0.00 H new ATOM 0 HG LEU A 126 13.947 30.342 12.008 1.00 0.00 H new ATOM 0 HD11 LEU A 126 15.857 29.397 10.772 1.00 0.00 H new ATOM 0 HD12 LEU A 126 15.925 28.992 12.503 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.401 27.767 11.323 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.683 29.696 9.645 1.00 0.00 H new ATOM 0 HD22 LEU A 126 13.142 28.079 10.151 1.00 0.00 H new ATOM 0 HD23 LEU A 126 12.164 29.511 10.553 1.00 0.00 H new ATOM 1897 N GLU A 127 14.275 25.818 14.446 1.00 0.00 N ATOM 1898 CA GLU A 127 14.377 25.123 15.723 1.00 0.00 C ATOM 1899 C GLU A 127 13.660 25.899 16.824 1.00 0.00 C ATOM 1900 O GLU A 127 14.199 26.861 17.371 1.00 0.00 O ATOM 1901 CB GLU A 127 15.845 24.918 16.102 1.00 0.00 C ATOM 1902 CG GLU A 127 16.604 24.025 15.135 1.00 0.00 C ATOM 1903 CD GLU A 127 17.943 23.573 15.685 1.00 0.00 C ATOM 1904 OE1 GLU A 127 18.014 23.268 16.894 1.00 0.00 O ATOM 1905 OE2 GLU A 127 18.919 23.525 14.908 1.00 0.00 O ATOM 0 H GLU A 127 15.158 25.911 13.944 1.00 0.00 H new ATOM 0 HA GLU A 127 13.897 24.150 15.617 1.00 0.00 H new ATOM 0 HB2 GLU A 127 16.338 25.889 16.150 1.00 0.00 H new ATOM 0 HB3 GLU A 127 15.897 24.484 17.101 1.00 0.00 H new ATOM 0 HG2 GLU A 127 15.997 23.150 14.902 1.00 0.00 H new ATOM 0 HG3 GLU A 127 16.762 24.561 14.199 1.00 0.00 H new ATOM 1912 N SER A 128 12.442 25.474 17.143 1.00 0.00 N ATOM 1913 CA SER A 128 11.649 26.131 18.175 1.00 0.00 C ATOM 1914 C SER A 128 11.643 25.310 19.461 1.00 0.00 C ATOM 1915 O SER A 128 10.983 24.276 19.548 1.00 0.00 O ATOM 1916 CB SER A 128 10.215 26.345 17.687 1.00 0.00 C ATOM 1917 OG SER A 128 10.182 27.204 16.561 1.00 0.00 O ATOM 0 H SER A 128 11.983 24.677 16.702 1.00 0.00 H new ATOM 0 HA SER A 128 12.102 27.100 18.385 1.00 0.00 H new ATOM 0 HB2 SER A 128 9.768 25.385 17.429 1.00 0.00 H new ATOM 0 HB3 SER A 128 9.614 26.770 18.491 1.00 0.00 H new ATOM 0 HG SER A 128 10.774 26.852 15.864 1.00 0.00 H new ATOM 1923 N GLY A 129 12.385 25.780 20.460 1.00 0.00 N ATOM 1924 CA GLY A 129 12.453 25.079 21.728 1.00 0.00 C ATOM 1925 C GLY A 129 11.520 25.668 22.767 1.00 0.00 C ATOM 1926 O GLY A 129 11.319 26.881 22.835 1.00 0.00 O ATOM 0 H GLY A 129 12.940 26.634 20.413 1.00 0.00 H new ATOM 0 HA2 GLY A 129 12.203 24.029 21.573 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.476 25.111 22.103 1.00 0.00 H new ATOM 1930 N PRO A 130 10.931 24.799 23.601 1.00 0.00 N ATOM 1931 CA PRO A 130 10.004 25.217 24.656 1.00 0.00 C ATOM 1932 C PRO A 130 10.707 25.969 25.781 1.00 0.00 C ATOM 1933 O PRO A 130 11.805 25.600 26.196 1.00 0.00 O ATOM 1934 CB PRO A 130 9.433 23.894 25.173 1.00 0.00 C ATOM 1935 CG PRO A 130 10.479 22.882 24.856 1.00 0.00 C ATOM 1936 CD PRO A 130 11.125 23.339 23.578 1.00 0.00 C ATOM 0 HA PRO A 130 9.247 25.907 24.283 1.00 0.00 H new ATOM 0 HB2 PRO A 130 9.237 23.939 26.244 1.00 0.00 H new ATOM 0 HB3 PRO A 130 8.488 23.653 24.686 1.00 0.00 H new ATOM 0 HG2 PRO A 130 11.211 22.813 25.660 1.00 0.00 H new ATOM 0 HG3 PRO A 130 10.040 21.891 24.739 1.00 0.00 H new ATOM 0 HD2 PRO A 130 12.182 23.074 23.545 1.00 0.00 H new ATOM 0 HD3 PRO A 130 10.655 22.885 22.705 1.00 0.00 H new ATOM 1944 N SER A 131 10.067 27.026 26.271 1.00 0.00 N ATOM 1945 CA SER A 131 10.633 27.832 27.346 1.00 0.00 C ATOM 1946 C SER A 131 11.099 26.949 28.499 1.00 0.00 C ATOM 1947 O SER A 131 12.172 27.162 29.065 1.00 0.00 O ATOM 1948 CB SER A 131 9.604 28.846 27.849 1.00 0.00 C ATOM 1949 OG SER A 131 8.425 28.198 28.295 1.00 0.00 O ATOM 0 H SER A 131 9.156 27.344 25.940 1.00 0.00 H new ATOM 0 HA SER A 131 11.496 28.367 26.949 1.00 0.00 H new ATOM 0 HB2 SER A 131 10.032 29.430 28.664 1.00 0.00 H new ATOM 0 HB3 SER A 131 9.358 29.546 27.050 1.00 0.00 H new ATOM 0 HG SER A 131 7.784 28.868 28.613 1.00 0.00 H new ATOM 1955 N SER A 132 10.285 25.957 28.843 1.00 0.00 N ATOM 1956 CA SER A 132 10.610 25.043 29.932 1.00 0.00 C ATOM 1957 C SER A 132 9.956 23.682 29.713 1.00 0.00 C ATOM 1958 O SER A 132 8.797 23.596 29.310 1.00 0.00 O ATOM 1959 CB SER A 132 10.158 25.629 31.271 1.00 0.00 C ATOM 1960 OG SER A 132 10.956 25.142 32.336 1.00 0.00 O ATOM 0 H SER A 132 9.395 25.765 28.383 1.00 0.00 H new ATOM 0 HA SER A 132 11.692 24.909 29.949 1.00 0.00 H new ATOM 0 HB2 SER A 132 10.219 26.717 31.235 1.00 0.00 H new ATOM 0 HB3 SER A 132 9.113 25.374 31.449 1.00 0.00 H new ATOM 0 HG SER A 132 10.648 25.533 33.180 1.00 0.00 H new ATOM 1966 N GLY A 133 10.710 22.620 29.980 1.00 0.00 N ATOM 1967 CA GLY A 133 10.188 21.277 29.807 1.00 0.00 C ATOM 1968 C GLY A 133 9.417 20.793 31.019 1.00 0.00 C ATOM 1969 O GLY A 133 8.431 21.410 31.422 1.00 0.00 O ATOM 0 H GLY A 133 11.673 22.666 30.313 1.00 0.00 H new ATOM 0 HA2 GLY A 133 9.537 21.254 28.933 1.00 0.00 H new ATOM 0 HA3 GLY A 133 11.013 20.593 29.608 1.00 0.00 H new TER 1973 GLY A 133