USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 832 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 31 GLN : amide:sc= -1.47 X(o=-4.5,f=-4.3) USER MOD Set 1.2: A 109 SER OG : rot 137:sc= -3! USER MOD Set 2.1: A 44 LYS NZ :NH3+ -177:sc= 1.18 (180deg=-0.148) USER MOD Set 2.2: A 103 SER OG : rot 120:sc= 0.271 USER MOD Set 3.1: A 82 THR OG1 : rot 53:sc= 0.593 USER MOD Set 3.2: A 86 MET CE :methyl 158:sc= -15.4! (180deg=-16!) USER MOD Set 4.1: A 27 LYS NZ :NH3+ 173:sc= -2.22 (180deg=-2.32) USER MOD Set 4.2: A 28 LYS NZ :NH3+ 155:sc= -0.0934 (180deg=-0.416) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 36:sc= 0.884 USER MOD Single : A 2 MET CE :methyl -156:sc= -11.9! (180deg=-17!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00119 USER MOD Single : A 7 SER OG : rot 30:sc= -3.93! USER MOD Single : A 12 LYS NZ :NH3+ -159:sc= -1.84 (180deg=-3.49!) USER MOD Single : A 13 LYS NZ :NH3+ 141:sc= -0.0156 (180deg=-0.323) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.777 USER MOD Single : A 26 HIS : no HE2:sc= -9.61! C(o=-9.6!,f=-17!) USER MOD Single : A 32 MET CE :methyl 180:sc=-0.00693 (180deg=-0.00693) USER MOD Single : A 36 LYS NZ :NH3+ -116:sc= -2.73! (180deg=-6.38!) USER MOD Single : A 37 LYS NZ :NH3+ -169:sc= -0.0137 (180deg=-0.192) USER MOD Single : A 38 LYS NZ :NH3+ 147:sc= 0.989 (180deg=-0.205) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -108:sc= 1.03 (180deg=-0.0282) USER MOD Single : A 48 HIS : no HD1:sc= -0.458 K(o=-0.46,f=-1.7) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.0601 (180deg=-0.338) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -68:sc= 0.127 USER MOD Single : A 72 SER OG : rot -83:sc= 0.386 USER MOD Single : A 78 SER OG : rot -117:sc= 0.309! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 162:sc= -0.0324 (180deg=-0.4) USER MOD Single : A 84 THR OG1 : rot 92:sc= 1.05 USER MOD Single : A 91 LYS NZ :NH3+ 153:sc= -0.0474 (180deg=-0.455) USER MOD Single : A 96 LYS NZ :NH3+ -130:sc= 0.157 (180deg=-0.00917) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.205 -7.697 9.243 1.00 0.00 N ATOM 2 CA SER A 1 6.842 -7.254 8.854 1.00 0.00 C ATOM 3 C SER A 1 6.664 -7.299 7.340 1.00 0.00 C ATOM 4 O SER A 1 7.135 -6.415 6.623 1.00 0.00 O ATOM 5 CB SER A 1 6.584 -5.834 9.365 1.00 0.00 C ATOM 6 OG SER A 1 7.515 -4.918 8.813 1.00 0.00 O ATOM 0 H1 SER A 1 8.301 -7.657 10.278 1.00 0.00 H new ATOM 0 H2 SER A 1 8.359 -8.673 8.918 1.00 0.00 H new ATOM 0 H3 SER A 1 8.911 -7.071 8.806 1.00 0.00 H new ATOM 0 HA SER A 1 6.122 -7.936 9.306 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.570 -5.529 9.105 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.653 -5.817 10.453 1.00 0.00 H new ATOM 0 HG SER A 1 7.718 -5.175 7.889 1.00 0.00 H new ATOM 14 N MET A 2 5.984 -8.335 6.860 1.00 0.00 N ATOM 15 CA MET A 2 5.742 -8.494 5.431 1.00 0.00 C ATOM 16 C MET A 2 7.057 -8.644 4.671 1.00 0.00 C ATOM 17 O MET A 2 7.233 -8.073 3.594 1.00 0.00 O ATOM 18 CB MET A 2 4.956 -7.296 4.893 1.00 0.00 C ATOM 19 CG MET A 2 4.415 -7.508 3.489 1.00 0.00 C ATOM 20 SD MET A 2 3.385 -8.981 3.359 1.00 0.00 S ATOM 21 CE MET A 2 2.705 -8.768 1.717 1.00 0.00 C ATOM 0 H MET A 2 5.591 -9.077 7.440 1.00 0.00 H new ATOM 0 HA MET A 2 5.155 -9.400 5.282 1.00 0.00 H new ATOM 0 HB2 MET A 2 4.125 -7.085 5.566 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.601 -6.417 4.897 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.834 -6.635 3.192 1.00 0.00 H new ATOM 0 HG3 MET A 2 5.248 -7.589 2.791 1.00 0.00 H new ATOM 0 HE1 MET A 2 1.766 -9.315 1.638 1.00 0.00 H new ATOM 0 HE2 MET A 2 2.525 -7.709 1.532 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.410 -9.150 0.979 1.00 0.00 H new ATOM 31 N THR A 3 7.979 -9.414 5.241 1.00 0.00 N ATOM 32 CA THR A 3 9.281 -9.640 4.622 1.00 0.00 C ATOM 33 C THR A 3 9.308 -10.949 3.839 1.00 0.00 C ATOM 34 O THR A 3 10.138 -11.131 2.948 1.00 0.00 O ATOM 35 CB THR A 3 10.406 -9.668 5.674 1.00 0.00 C ATOM 36 OG1 THR A 3 10.061 -10.563 6.739 1.00 0.00 O ATOM 37 CG2 THR A 3 10.659 -8.277 6.235 1.00 0.00 C ATOM 0 H THR A 3 7.848 -9.893 6.132 1.00 0.00 H new ATOM 0 HA THR A 3 9.447 -8.808 3.937 1.00 0.00 H new ATOM 0 HB THR A 3 11.317 -10.017 5.188 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.782 -10.576 7.402 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.457 -8.323 6.976 1.00 0.00 H new ATOM 0 HG22 THR A 3 10.952 -7.607 5.427 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.749 -7.903 6.705 1.00 0.00 H new ATOM 45 N ASP A 4 8.399 -11.858 4.172 1.00 0.00 N ATOM 46 CA ASP A 4 8.326 -13.147 3.497 1.00 0.00 C ATOM 47 C ASP A 4 7.839 -12.985 2.062 1.00 0.00 C ATOM 48 O ASP A 4 8.273 -13.704 1.163 1.00 0.00 O ATOM 49 CB ASP A 4 7.391 -14.090 4.254 1.00 0.00 C ATOM 50 CG ASP A 4 7.817 -14.295 5.694 1.00 0.00 C ATOM 51 OD1 ASP A 4 7.376 -13.511 6.560 1.00 0.00 O ATOM 52 OD2 ASP A 4 8.596 -15.237 5.955 1.00 0.00 O ATOM 0 H ASP A 4 7.703 -11.726 4.905 1.00 0.00 H new ATOM 0 HA ASP A 4 9.329 -13.573 3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 4 6.378 -13.688 4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.363 -15.054 3.746 1.00 0.00 H new ATOM 57 N LEU A 5 6.933 -12.034 1.853 1.00 0.00 N ATOM 58 CA LEU A 5 6.380 -11.787 0.528 1.00 0.00 C ATOM 59 C LEU A 5 7.036 -10.579 -0.129 1.00 0.00 C ATOM 60 O LEU A 5 7.709 -10.704 -1.153 1.00 0.00 O ATOM 61 CB LEU A 5 4.869 -11.569 0.615 1.00 0.00 C ATOM 62 CG LEU A 5 4.051 -12.803 0.994 1.00 0.00 C ATOM 63 CD1 LEU A 5 4.039 -13.792 -0.155 1.00 0.00 C ATOM 64 CD2 LEU A 5 4.606 -13.457 2.253 1.00 0.00 C ATOM 0 H LEU A 5 6.568 -11.423 2.584 1.00 0.00 H new ATOM 0 HA LEU A 5 6.584 -12.665 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.673 -10.785 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.516 -11.201 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 5 3.028 -12.488 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.454 -14.668 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.594 -13.324 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.060 -14.096 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.007 -14.333 2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.639 -13.761 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.570 -12.746 3.078 1.00 0.00 H new ATOM 76 N LEU A 6 6.836 -9.411 0.468 1.00 0.00 N ATOM 77 CA LEU A 6 7.406 -8.179 -0.059 1.00 0.00 C ATOM 78 C LEU A 6 8.897 -8.118 0.219 1.00 0.00 C ATOM 79 O LEU A 6 9.349 -8.467 1.309 1.00 0.00 O ATOM 80 CB LEU A 6 6.723 -6.967 0.574 1.00 0.00 C ATOM 81 CG LEU A 6 5.207 -6.934 0.426 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.631 -5.682 1.060 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.819 -7.022 -1.038 1.00 0.00 C ATOM 0 H LEU A 6 6.284 -9.291 1.317 1.00 0.00 H new ATOM 0 HA LEU A 6 7.244 -8.165 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.970 -6.942 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.137 -6.062 0.129 1.00 0.00 H new ATOM 0 HG LEU A 6 4.791 -7.797 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.547 -5.680 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.881 -5.663 2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.051 -4.802 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.733 -6.997 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.248 -6.179 -1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.197 -7.953 -1.459 1.00 0.00 H new ATOM 95 N SER A 7 9.665 -7.674 -0.770 1.00 0.00 N ATOM 96 CA SER A 7 11.104 -7.570 -0.606 1.00 0.00 C ATOM 97 C SER A 7 11.430 -6.729 0.627 1.00 0.00 C ATOM 98 O SER A 7 11.222 -5.518 0.634 1.00 0.00 O ATOM 99 CB SER A 7 11.737 -6.951 -1.852 1.00 0.00 C ATOM 100 OG SER A 7 10.892 -5.966 -2.418 1.00 0.00 O ATOM 0 H SER A 7 9.317 -7.384 -1.684 1.00 0.00 H new ATOM 0 HA SER A 7 11.515 -8.570 -0.469 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.697 -6.505 -1.592 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.936 -7.730 -2.588 1.00 0.00 H new ATOM 0 HG SER A 7 10.357 -5.549 -1.711 1.00 0.00 H new ATOM 106 N ALA A 8 11.955 -7.379 1.663 1.00 0.00 N ATOM 107 CA ALA A 8 12.293 -6.696 2.907 1.00 0.00 C ATOM 108 C ALA A 8 13.333 -5.607 2.679 1.00 0.00 C ATOM 109 O ALA A 8 13.237 -4.516 3.241 1.00 0.00 O ATOM 110 CB ALA A 8 12.789 -7.696 3.941 1.00 0.00 C ATOM 0 H ALA A 8 12.155 -8.379 1.664 1.00 0.00 H new ATOM 0 HA ALA A 8 11.388 -6.218 3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.037 -7.172 4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.009 -8.431 4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.676 -8.202 3.561 1.00 0.00 H new ATOM 116 N GLU A 9 14.327 -5.910 1.857 1.00 0.00 N ATOM 117 CA GLU A 9 15.382 -4.954 1.552 1.00 0.00 C ATOM 118 C GLU A 9 14.814 -3.747 0.805 1.00 0.00 C ATOM 119 O GLU A 9 15.069 -2.600 1.169 1.00 0.00 O ATOM 120 CB GLU A 9 16.477 -5.647 0.727 1.00 0.00 C ATOM 121 CG GLU A 9 17.401 -4.698 -0.023 1.00 0.00 C ATOM 122 CD GLU A 9 18.613 -5.403 -0.602 1.00 0.00 C ATOM 123 OE1 GLU A 9 18.501 -5.961 -1.713 1.00 0.00 O ATOM 124 OE2 GLU A 9 19.674 -5.396 0.057 1.00 0.00 O ATOM 0 H GLU A 9 14.425 -6.811 1.389 1.00 0.00 H new ATOM 0 HA GLU A 9 15.819 -4.591 2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.077 -6.267 1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.004 -6.316 0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.846 -4.216 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.732 -3.909 0.652 1.00 0.00 H new ATOM 131 N ASP A 10 14.032 -4.022 -0.231 1.00 0.00 N ATOM 132 CA ASP A 10 13.420 -2.977 -1.047 1.00 0.00 C ATOM 133 C ASP A 10 12.590 -2.025 -0.203 1.00 0.00 C ATOM 134 O ASP A 10 12.766 -0.809 -0.248 1.00 0.00 O ATOM 135 CB ASP A 10 12.507 -3.619 -2.076 1.00 0.00 C ATOM 136 CG ASP A 10 13.243 -4.577 -2.991 1.00 0.00 C ATOM 137 OD1 ASP A 10 14.195 -5.235 -2.522 1.00 0.00 O ATOM 138 OD2 ASP A 10 12.873 -4.665 -4.181 1.00 0.00 O ATOM 0 H ASP A 10 13.804 -4.970 -0.530 1.00 0.00 H new ATOM 0 HA ASP A 10 14.221 -2.414 -1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.707 -4.154 -1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.036 -2.840 -2.675 1.00 0.00 H new ATOM 143 N ILE A 11 11.680 -2.603 0.565 1.00 0.00 N ATOM 144 CA ILE A 11 10.792 -1.840 1.423 1.00 0.00 C ATOM 145 C ILE A 11 11.576 -0.946 2.369 1.00 0.00 C ATOM 146 O ILE A 11 11.345 0.260 2.426 1.00 0.00 O ATOM 147 CB ILE A 11 9.912 -2.795 2.242 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.134 -3.738 1.328 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.960 -2.011 3.130 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.918 -5.110 1.928 1.00 0.00 C ATOM 0 H ILE A 11 11.538 -3.612 0.610 1.00 0.00 H new ATOM 0 HA ILE A 11 10.168 -1.211 0.788 1.00 0.00 H new ATOM 0 HB ILE A 11 10.563 -3.397 2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.166 -3.293 1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.669 -3.842 0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.344 -2.703 3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.533 -1.384 3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.320 -1.382 2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.359 -5.730 1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.883 -5.574 2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.356 -5.016 2.857 1.00 0.00 H new ATOM 162 N LYS A 12 12.507 -1.536 3.103 1.00 0.00 N ATOM 163 CA LYS A 12 13.318 -0.772 4.037 1.00 0.00 C ATOM 164 C LYS A 12 14.102 0.310 3.304 1.00 0.00 C ATOM 165 O LYS A 12 14.341 1.390 3.844 1.00 0.00 O ATOM 166 CB LYS A 12 14.273 -1.696 4.791 1.00 0.00 C ATOM 167 CG LYS A 12 13.568 -2.598 5.787 1.00 0.00 C ATOM 168 CD LYS A 12 14.393 -3.836 6.104 1.00 0.00 C ATOM 169 CE LYS A 12 15.499 -3.538 7.105 1.00 0.00 C ATOM 170 NZ LYS A 12 16.388 -2.434 6.649 1.00 0.00 N ATOM 0 H LYS A 12 12.718 -2.533 3.071 1.00 0.00 H new ATOM 0 HA LYS A 12 12.654 -0.292 4.756 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.815 -2.312 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 12 15.013 -1.093 5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.374 -2.045 6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.600 -2.898 5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.742 -4.614 6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.830 -4.226 5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.056 -3.273 8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.093 -4.438 7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.299 -2.493 7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.548 -2.517 5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.939 -1.519 6.856 1.00 0.00 H new ATOM 184 N LYS A 13 14.499 0.012 2.070 1.00 0.00 N ATOM 185 CA LYS A 13 15.255 0.962 1.260 1.00 0.00 C ATOM 186 C LYS A 13 14.370 2.091 0.760 1.00 0.00 C ATOM 187 O LYS A 13 14.669 3.261 0.957 1.00 0.00 O ATOM 188 CB LYS A 13 15.857 0.258 0.049 1.00 0.00 C ATOM 189 CG LYS A 13 16.983 -0.703 0.381 1.00 0.00 C ATOM 190 CD LYS A 13 17.123 -1.779 -0.687 1.00 0.00 C ATOM 191 CE LYS A 13 17.172 -1.186 -2.087 1.00 0.00 C ATOM 192 NZ LYS A 13 18.201 -0.116 -2.205 1.00 0.00 N ATOM 0 H LYS A 13 14.310 -0.878 1.610 1.00 0.00 H new ATOM 0 HA LYS A 13 16.041 1.374 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.068 -0.289 -0.467 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.230 1.011 -0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.919 -0.153 0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.793 -1.169 1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 13 18.030 -2.355 -0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.285 -2.472 -0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 13 17.386 -1.975 -2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.194 -0.778 -2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 18.674 -0.189 -3.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.745 0.815 -2.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 18.904 -0.225 -1.446 1.00 0.00 H new ATOM 206 N ALA A 14 13.263 1.722 0.132 1.00 0.00 N ATOM 207 CA ALA A 14 12.335 2.696 -0.425 1.00 0.00 C ATOM 208 C ALA A 14 11.626 3.486 0.665 1.00 0.00 C ATOM 209 O ALA A 14 11.332 4.670 0.497 1.00 0.00 O ATOM 210 CB ALA A 14 11.315 1.994 -1.307 1.00 0.00 C ATOM 0 H ALA A 14 12.985 0.750 -0.005 1.00 0.00 H new ATOM 0 HA ALA A 14 12.911 3.401 -1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.624 2.729 -1.720 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.829 1.482 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.760 1.267 -0.714 1.00 0.00 H new ATOM 216 N ILE A 15 11.359 2.824 1.779 1.00 0.00 N ATOM 217 CA ILE A 15 10.662 3.453 2.887 1.00 0.00 C ATOM 218 C ILE A 15 11.545 4.441 3.647 1.00 0.00 C ATOM 219 O ILE A 15 11.096 5.525 4.020 1.00 0.00 O ATOM 220 CB ILE A 15 10.073 2.386 3.818 1.00 0.00 C ATOM 221 CG1 ILE A 15 8.930 1.762 3.047 1.00 0.00 C ATOM 222 CG2 ILE A 15 9.580 2.971 5.141 1.00 0.00 C ATOM 223 CD1 ILE A 15 8.034 0.865 3.855 1.00 0.00 C ATOM 0 H ILE A 15 11.615 1.850 1.939 1.00 0.00 H new ATOM 0 HA ILE A 15 9.842 4.039 2.472 1.00 0.00 H new ATOM 0 HB ILE A 15 10.834 1.656 4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.326 2.559 2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.342 1.187 2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.173 2.173 5.762 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.411 3.447 5.661 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.803 3.710 4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.246 0.466 3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.619 0.042 4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.587 1.435 4.669 1.00 0.00 H new ATOM 235 N GLY A 16 12.800 4.067 3.878 1.00 0.00 N ATOM 236 CA GLY A 16 13.707 4.933 4.611 1.00 0.00 C ATOM 237 C GLY A 16 14.610 5.787 3.734 1.00 0.00 C ATOM 238 O GLY A 16 15.356 6.619 4.250 1.00 0.00 O ATOM 0 H GLY A 16 13.205 3.182 3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 16 13.122 5.589 5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.329 4.319 5.262 1.00 0.00 H new ATOM 242 N ALA A 17 14.558 5.600 2.420 1.00 0.00 N ATOM 243 CA ALA A 17 15.414 6.372 1.518 1.00 0.00 C ATOM 244 C ALA A 17 14.755 7.662 1.045 1.00 0.00 C ATOM 245 O ALA A 17 15.355 8.734 1.130 1.00 0.00 O ATOM 246 CB ALA A 17 15.831 5.537 0.318 1.00 0.00 C ATOM 0 H ALA A 17 13.942 4.931 1.957 1.00 0.00 H new ATOM 0 HA ALA A 17 16.298 6.646 2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.466 6.133 -0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.382 4.660 0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 17 14.944 5.218 -0.229 1.00 0.00 H new ATOM 252 N PHE A 18 13.525 7.569 0.549 1.00 0.00 N ATOM 253 CA PHE A 18 12.838 8.749 0.044 1.00 0.00 C ATOM 254 C PHE A 18 11.401 8.848 0.543 1.00 0.00 C ATOM 255 O PHE A 18 10.453 8.843 -0.243 1.00 0.00 O ATOM 256 CB PHE A 18 12.899 8.767 -1.487 1.00 0.00 C ATOM 257 CG PHE A 18 12.005 7.782 -2.210 1.00 0.00 C ATOM 258 CD1 PHE A 18 11.343 6.753 -1.545 1.00 0.00 C ATOM 259 CD2 PHE A 18 11.836 7.896 -3.582 1.00 0.00 C ATOM 260 CE1 PHE A 18 10.531 5.869 -2.241 1.00 0.00 C ATOM 261 CE2 PHE A 18 11.031 7.016 -4.277 1.00 0.00 C ATOM 262 CZ PHE A 18 10.376 6.003 -3.606 1.00 0.00 C ATOM 0 H PHE A 18 12.991 6.702 0.487 1.00 0.00 H new ATOM 0 HA PHE A 18 13.354 9.627 0.433 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.645 9.771 -1.827 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.929 8.579 -1.790 1.00 0.00 H new ATOM 0 HD1 PHE A 18 11.463 6.642 -0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.343 8.687 -4.115 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.020 5.076 -1.715 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.914 7.120 -5.346 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.743 5.316 -4.148 1.00 0.00 H new ATOM 272 N THR A 19 11.248 8.982 1.861 1.00 0.00 N ATOM 273 CA THR A 19 9.927 9.092 2.478 1.00 0.00 C ATOM 274 C THR A 19 9.012 10.007 1.662 1.00 0.00 C ATOM 275 O THR A 19 7.814 9.755 1.531 1.00 0.00 O ATOM 276 CB THR A 19 10.025 9.633 3.916 1.00 0.00 C ATOM 277 OG1 THR A 19 10.626 10.935 3.911 1.00 0.00 O ATOM 278 CG2 THR A 19 10.843 8.697 4.792 1.00 0.00 C ATOM 0 H THR A 19 12.024 9.017 2.522 1.00 0.00 H new ATOM 0 HA THR A 19 9.503 8.088 2.502 1.00 0.00 H new ATOM 0 HB THR A 19 9.016 9.700 4.324 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.683 11.273 4.829 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.898 9.100 5.803 1.00 0.00 H new ATOM 0 HG22 THR A 19 10.369 7.716 4.818 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.849 8.603 4.384 1.00 0.00 H new ATOM 286 N ALA A 20 9.597 11.070 1.116 1.00 0.00 N ATOM 287 CA ALA A 20 8.870 12.022 0.288 1.00 0.00 C ATOM 288 C ALA A 20 8.009 11.301 -0.741 1.00 0.00 C ATOM 289 O ALA A 20 6.884 11.713 -1.020 1.00 0.00 O ATOM 290 CB ALA A 20 9.844 12.964 -0.406 1.00 0.00 C ATOM 0 H ALA A 20 10.585 11.293 1.236 1.00 0.00 H new ATOM 0 HA ALA A 20 8.212 12.605 0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.289 13.671 -1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.420 13.508 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.522 12.387 -1.036 1.00 0.00 H new ATOM 296 N ALA A 21 8.538 10.213 -1.301 1.00 0.00 N ATOM 297 CA ALA A 21 7.796 9.439 -2.288 1.00 0.00 C ATOM 298 C ALA A 21 6.423 9.094 -1.745 1.00 0.00 C ATOM 299 O ALA A 21 5.408 9.582 -2.233 1.00 0.00 O ATOM 300 CB ALA A 21 8.559 8.177 -2.656 1.00 0.00 C ATOM 0 H ALA A 21 9.468 9.853 -1.089 1.00 0.00 H new ATOM 0 HA ALA A 21 7.676 10.038 -3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.991 7.611 -3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.529 8.447 -3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.705 7.567 -1.764 1.00 0.00 H new ATOM 306 N ASP A 22 6.406 8.270 -0.713 1.00 0.00 N ATOM 307 CA ASP A 22 5.158 7.889 -0.070 1.00 0.00 C ATOM 308 C ASP A 22 4.455 9.134 0.462 1.00 0.00 C ATOM 309 O ASP A 22 3.247 9.129 0.695 1.00 0.00 O ATOM 310 CB ASP A 22 5.422 6.911 1.074 1.00 0.00 C ATOM 311 CG ASP A 22 4.147 6.491 1.779 1.00 0.00 C ATOM 312 OD1 ASP A 22 3.735 7.193 2.728 1.00 0.00 O ATOM 313 OD2 ASP A 22 3.561 5.463 1.382 1.00 0.00 O ATOM 0 H ASP A 22 7.240 7.851 -0.301 1.00 0.00 H new ATOM 0 HA ASP A 22 4.519 7.398 -0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.927 6.027 0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.098 7.372 1.794 1.00 0.00 H new ATOM 318 N SER A 23 5.232 10.200 0.653 1.00 0.00 N ATOM 319 CA SER A 23 4.707 11.457 1.152 1.00 0.00 C ATOM 320 C SER A 23 3.762 12.099 0.134 1.00 0.00 C ATOM 321 O SER A 23 2.596 12.350 0.433 1.00 0.00 O ATOM 322 CB SER A 23 5.861 12.410 1.477 1.00 0.00 C ATOM 323 OG SER A 23 5.495 13.327 2.493 1.00 0.00 O ATOM 0 H SER A 23 6.235 10.211 0.466 1.00 0.00 H new ATOM 0 HA SER A 23 4.139 11.257 2.061 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.731 11.837 1.797 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.151 12.955 0.578 1.00 0.00 H new ATOM 0 HG SER A 23 6.249 13.923 2.683 1.00 0.00 H new ATOM 329 N PHE A 24 4.272 12.360 -1.069 1.00 0.00 N ATOM 330 CA PHE A 24 3.465 12.982 -2.118 1.00 0.00 C ATOM 331 C PHE A 24 2.855 11.949 -3.070 1.00 0.00 C ATOM 332 O PHE A 24 1.710 12.094 -3.496 1.00 0.00 O ATOM 333 CB PHE A 24 4.295 13.998 -2.906 1.00 0.00 C ATOM 334 CG PHE A 24 5.538 13.426 -3.530 1.00 0.00 C ATOM 335 CD1 PHE A 24 5.474 12.735 -4.729 1.00 0.00 C ATOM 336 CD2 PHE A 24 6.771 13.587 -2.919 1.00 0.00 C ATOM 337 CE1 PHE A 24 6.615 12.213 -5.308 1.00 0.00 C ATOM 338 CE2 PHE A 24 7.917 13.067 -3.492 1.00 0.00 C ATOM 339 CZ PHE A 24 7.838 12.380 -4.688 1.00 0.00 C ATOM 0 H PHE A 24 5.233 12.152 -1.340 1.00 0.00 H new ATOM 0 HA PHE A 24 2.642 13.497 -1.622 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.673 14.428 -3.691 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.578 14.814 -2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.520 12.603 -5.218 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.838 14.125 -1.985 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.551 11.676 -6.243 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.872 13.198 -3.005 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.732 11.974 -5.138 1.00 0.00 H new ATOM 349 N ASP A 25 3.620 10.915 -3.413 1.00 0.00 N ATOM 350 CA ASP A 25 3.132 9.875 -4.322 1.00 0.00 C ATOM 351 C ASP A 25 3.743 8.516 -3.995 1.00 0.00 C ATOM 352 O ASP A 25 4.871 8.218 -4.390 1.00 0.00 O ATOM 353 CB ASP A 25 3.444 10.249 -5.773 1.00 0.00 C ATOM 354 CG ASP A 25 2.422 11.205 -6.356 1.00 0.00 C ATOM 355 OD1 ASP A 25 2.535 12.423 -6.104 1.00 0.00 O ATOM 356 OD2 ASP A 25 1.509 10.735 -7.066 1.00 0.00 O ATOM 0 H ASP A 25 4.573 10.773 -3.079 1.00 0.00 H new ATOM 0 HA ASP A 25 2.052 9.802 -4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.433 10.704 -5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.478 9.344 -6.379 1.00 0.00 H new ATOM 361 N HIS A 26 2.991 7.694 -3.269 1.00 0.00 N ATOM 362 CA HIS A 26 3.451 6.365 -2.880 1.00 0.00 C ATOM 363 C HIS A 26 3.518 5.433 -4.089 1.00 0.00 C ATOM 364 O HIS A 26 4.224 4.429 -4.066 1.00 0.00 O ATOM 365 CB HIS A 26 2.544 5.819 -1.759 1.00 0.00 C ATOM 366 CG HIS A 26 2.448 4.323 -1.630 1.00 0.00 C ATOM 367 ND1 HIS A 26 3.476 3.457 -1.932 1.00 0.00 N ATOM 368 CD2 HIS A 26 1.437 3.547 -1.171 1.00 0.00 C ATOM 369 CE1 HIS A 26 3.106 2.219 -1.663 1.00 0.00 C ATOM 370 NE2 HIS A 26 1.872 2.246 -1.200 1.00 0.00 N ATOM 0 H HIS A 26 2.055 7.927 -2.937 1.00 0.00 H new ATOM 0 HA HIS A 26 4.467 6.428 -2.489 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.899 6.219 -0.810 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.539 6.211 -1.914 1.00 0.00 H new ATOM 0 HD1 HIS A 26 4.384 3.731 -2.306 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.467 3.889 -0.843 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.711 1.335 -1.799 1.00 0.00 H new ATOM 379 N LYS A 27 2.820 5.784 -5.170 1.00 0.00 N ATOM 380 CA LYS A 27 2.837 4.975 -6.375 1.00 0.00 C ATOM 381 C LYS A 27 4.271 4.592 -6.731 1.00 0.00 C ATOM 382 O LYS A 27 4.582 3.418 -6.919 1.00 0.00 O ATOM 383 CB LYS A 27 2.189 5.736 -7.525 1.00 0.00 C ATOM 384 CG LYS A 27 0.672 5.712 -7.492 1.00 0.00 C ATOM 385 CD LYS A 27 0.137 4.580 -8.339 1.00 0.00 C ATOM 386 CE LYS A 27 -0.039 5.006 -9.787 1.00 0.00 C ATOM 387 NZ LYS A 27 1.188 5.648 -10.332 1.00 0.00 N ATOM 0 H LYS A 27 2.240 6.621 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 27 2.268 4.063 -6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.528 6.772 -7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.530 5.311 -8.469 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.327 5.598 -6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.280 6.662 -7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.819 3.732 -8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.819 4.244 -7.938 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.293 4.136 -10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.875 5.701 -9.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.068 5.816 -11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.349 6.555 -9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.005 5.023 -10.177 1.00 0.00 H new ATOM 401 N LYS A 28 5.145 5.592 -6.805 1.00 0.00 N ATOM 402 CA LYS A 28 6.549 5.345 -7.097 1.00 0.00 C ATOM 403 C LYS A 28 7.128 4.454 -6.007 1.00 0.00 C ATOM 404 O LYS A 28 7.821 3.474 -6.284 1.00 0.00 O ATOM 405 CB LYS A 28 7.323 6.662 -7.166 1.00 0.00 C ATOM 406 CG LYS A 28 6.798 7.630 -8.216 1.00 0.00 C ATOM 407 CD LYS A 28 6.784 7.003 -9.603 1.00 0.00 C ATOM 408 CE LYS A 28 5.450 6.338 -9.906 1.00 0.00 C ATOM 409 NZ LYS A 28 4.345 7.330 -10.009 1.00 0.00 N ATOM 0 H LYS A 28 4.906 6.574 -6.667 1.00 0.00 H new ATOM 0 HA LYS A 28 6.636 4.850 -8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.287 7.145 -6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.371 6.446 -7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.789 7.945 -7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.419 8.526 -8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.987 7.769 -10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.583 6.266 -9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.526 5.781 -10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.218 5.616 -9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.586 6.943 -10.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.971 7.533 -9.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.705 8.208 -10.434 1.00 0.00 H new ATOM 423 N PHE A 29 6.834 4.814 -4.762 1.00 0.00 N ATOM 424 CA PHE A 29 7.282 4.041 -3.615 1.00 0.00 C ATOM 425 C PHE A 29 6.812 2.594 -3.770 1.00 0.00 C ATOM 426 O PHE A 29 7.465 1.665 -3.306 1.00 0.00 O ATOM 427 CB PHE A 29 6.748 4.684 -2.319 1.00 0.00 C ATOM 428 CG PHE A 29 6.715 3.780 -1.116 1.00 0.00 C ATOM 429 CD1 PHE A 29 7.751 2.904 -0.845 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.629 3.808 -0.255 1.00 0.00 C ATOM 431 CE1 PHE A 29 7.702 2.077 0.262 1.00 0.00 C ATOM 432 CE2 PHE A 29 5.574 2.983 0.847 1.00 0.00 C ATOM 433 CZ PHE A 29 6.608 2.116 1.105 1.00 0.00 C ATOM 0 H PHE A 29 6.285 5.640 -4.524 1.00 0.00 H new ATOM 0 HA PHE A 29 8.371 4.038 -3.559 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.364 5.552 -2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.738 5.051 -2.505 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.606 2.866 -1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.813 4.488 -0.451 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.519 1.401 0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.720 3.018 1.507 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.566 1.465 1.966 1.00 0.00 H new ATOM 443 N PHE A 30 5.682 2.418 -4.454 1.00 0.00 N ATOM 444 CA PHE A 30 5.121 1.092 -4.699 1.00 0.00 C ATOM 445 C PHE A 30 6.054 0.262 -5.574 1.00 0.00 C ATOM 446 O PHE A 30 6.057 -0.968 -5.511 1.00 0.00 O ATOM 447 CB PHE A 30 3.764 1.216 -5.397 1.00 0.00 C ATOM 448 CG PHE A 30 2.676 0.403 -4.757 1.00 0.00 C ATOM 449 CD1 PHE A 30 2.572 -0.954 -5.009 1.00 0.00 C ATOM 450 CD2 PHE A 30 1.757 0.996 -3.913 1.00 0.00 C ATOM 451 CE1 PHE A 30 1.566 -1.704 -4.424 1.00 0.00 C ATOM 452 CE2 PHE A 30 0.753 0.254 -3.324 1.00 0.00 C ATOM 453 CZ PHE A 30 0.658 -1.100 -3.578 1.00 0.00 C ATOM 0 H PHE A 30 5.135 3.183 -4.850 1.00 0.00 H new ATOM 0 HA PHE A 30 4.999 0.596 -3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.465 2.264 -5.405 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.871 0.907 -6.437 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.282 -1.432 -5.668 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.825 2.055 -3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.492 -2.762 -4.630 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.043 0.732 -2.665 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.124 -1.684 -3.116 1.00 0.00 H new ATOM 463 N GLN A 31 6.834 0.948 -6.393 1.00 0.00 N ATOM 464 CA GLN A 31 7.770 0.289 -7.293 1.00 0.00 C ATOM 465 C GLN A 31 9.079 -0.062 -6.590 1.00 0.00 C ATOM 466 O GLN A 31 9.524 -1.211 -6.627 1.00 0.00 O ATOM 467 CB GLN A 31 8.045 1.181 -8.502 1.00 0.00 C ATOM 468 CG GLN A 31 6.787 1.750 -9.131 1.00 0.00 C ATOM 469 CD GLN A 31 7.066 2.505 -10.415 1.00 0.00 C ATOM 470 OE1 GLN A 31 7.998 2.180 -11.149 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.257 3.522 -10.691 1.00 0.00 N ATOM 0 H GLN A 31 6.838 1.966 -6.454 1.00 0.00 H new ATOM 0 HA GLN A 31 7.314 -0.644 -7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.693 2.003 -8.198 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.589 0.606 -9.252 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.089 0.938 -9.336 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.300 2.418 -8.420 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.496 3.756 -10.053 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.397 4.069 -11.541 1.00 0.00 H new ATOM 480 N MET A 32 9.695 0.926 -5.949 1.00 0.00 N ATOM 481 CA MET A 32 10.960 0.710 -5.250 1.00 0.00 C ATOM 482 C MET A 32 10.769 -0.172 -4.024 1.00 0.00 C ATOM 483 O MET A 32 11.678 -0.898 -3.621 1.00 0.00 O ATOM 484 CB MET A 32 11.567 2.046 -4.828 1.00 0.00 C ATOM 485 CG MET A 32 11.475 3.114 -5.901 1.00 0.00 C ATOM 486 SD MET A 32 12.470 4.569 -5.519 1.00 0.00 S ATOM 487 CE MET A 32 12.326 5.495 -7.046 1.00 0.00 C ATOM 0 H MET A 32 9.342 1.881 -5.898 1.00 0.00 H new ATOM 0 HA MET A 32 11.637 0.204 -5.938 1.00 0.00 H new ATOM 0 HB2 MET A 32 11.061 2.399 -3.930 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.614 1.894 -4.565 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.801 2.696 -6.853 1.00 0.00 H new ATOM 0 HG3 MET A 32 10.434 3.412 -6.023 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.891 6.424 -6.963 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.722 4.902 -7.870 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.277 5.724 -7.235 1.00 0.00 H new ATOM 497 N VAL A 33 9.583 -0.105 -3.436 1.00 0.00 N ATOM 498 CA VAL A 33 9.272 -0.894 -2.251 1.00 0.00 C ATOM 499 C VAL A 33 9.259 -2.384 -2.563 1.00 0.00 C ATOM 500 O VAL A 33 9.466 -3.219 -1.682 1.00 0.00 O ATOM 501 CB VAL A 33 7.908 -0.493 -1.667 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.787 -0.864 -2.614 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.691 -1.142 -0.325 1.00 0.00 C ATOM 0 H VAL A 33 8.819 0.488 -3.760 1.00 0.00 H new ATOM 0 HA VAL A 33 10.054 -0.692 -1.519 1.00 0.00 H new ATOM 0 HB VAL A 33 7.905 0.589 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.831 -0.571 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.927 -0.348 -3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.794 -1.941 -2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.720 -0.845 0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.721 -2.226 -0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.475 -0.826 0.363 1.00 0.00 H new ATOM 513 N GLY A 34 9.017 -2.706 -3.822 1.00 0.00 N ATOM 514 CA GLY A 34 8.983 -4.093 -4.242 1.00 0.00 C ATOM 515 C GLY A 34 7.614 -4.721 -4.073 1.00 0.00 C ATOM 516 O GLY A 34 7.495 -5.940 -3.953 1.00 0.00 O ATOM 0 H GLY A 34 8.842 -2.030 -4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.282 -4.159 -5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.713 -4.661 -3.665 1.00 0.00 H new ATOM 520 N LEU A 35 6.578 -3.888 -4.066 1.00 0.00 N ATOM 521 CA LEU A 35 5.212 -4.375 -3.922 1.00 0.00 C ATOM 522 C LEU A 35 4.796 -5.117 -5.180 1.00 0.00 C ATOM 523 O LEU A 35 3.955 -6.015 -5.141 1.00 0.00 O ATOM 524 CB LEU A 35 4.258 -3.213 -3.641 1.00 0.00 C ATOM 525 CG LEU A 35 4.070 -2.885 -2.162 1.00 0.00 C ATOM 526 CD1 LEU A 35 3.742 -1.413 -1.978 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.968 -3.752 -1.585 1.00 0.00 C ATOM 0 H LEU A 35 6.659 -2.875 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 35 5.167 -5.063 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.629 -2.324 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.285 -3.447 -4.074 1.00 0.00 H new ATOM 0 HG LEU A 35 5.000 -3.092 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.612 -1.199 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.557 -0.806 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.822 -1.176 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.835 -3.517 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.037 -3.561 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.238 -4.803 -1.691 1.00 0.00 H new ATOM 539 N LYS A 36 5.393 -4.729 -6.300 1.00 0.00 N ATOM 540 CA LYS A 36 5.119 -5.363 -7.573 1.00 0.00 C ATOM 541 C LYS A 36 6.115 -6.502 -7.830 1.00 0.00 C ATOM 542 O LYS A 36 5.976 -7.249 -8.800 1.00 0.00 O ATOM 543 CB LYS A 36 5.227 -4.328 -8.690 1.00 0.00 C ATOM 544 CG LYS A 36 4.392 -3.069 -8.470 1.00 0.00 C ATOM 545 CD LYS A 36 5.257 -1.812 -8.496 1.00 0.00 C ATOM 546 CE LYS A 36 6.206 -1.808 -9.690 1.00 0.00 C ATOM 547 NZ LYS A 36 7.602 -2.154 -9.300 1.00 0.00 N ATOM 0 H LYS A 36 6.075 -3.972 -6.347 1.00 0.00 H new ATOM 0 HA LYS A 36 4.111 -5.777 -7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.272 -4.040 -8.802 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.922 -4.792 -9.628 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.625 -3.000 -9.242 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.875 -3.137 -7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.617 -0.930 -8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.833 -1.747 -7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.852 -2.520 -10.436 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.195 -0.824 -10.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.224 -1.340 -9.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.630 -2.396 -8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.927 -2.968 -9.860 1.00 0.00 H new ATOM 561 N LYS A 37 7.121 -6.632 -6.955 1.00 0.00 N ATOM 562 CA LYS A 37 8.145 -7.662 -7.095 1.00 0.00 C ATOM 563 C LYS A 37 7.550 -9.019 -7.459 1.00 0.00 C ATOM 564 O LYS A 37 8.207 -9.834 -8.105 1.00 0.00 O ATOM 565 CB LYS A 37 8.966 -7.770 -5.804 1.00 0.00 C ATOM 566 CG LYS A 37 10.121 -8.754 -5.904 1.00 0.00 C ATOM 567 CD LYS A 37 10.947 -8.777 -4.630 1.00 0.00 C ATOM 568 CE LYS A 37 12.134 -9.717 -4.755 1.00 0.00 C ATOM 569 NZ LYS A 37 11.707 -11.121 -5.011 1.00 0.00 N ATOM 0 H LYS A 37 7.243 -6.031 -6.140 1.00 0.00 H new ATOM 0 HA LYS A 37 8.798 -7.364 -7.915 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.358 -6.786 -5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.309 -8.073 -4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.733 -9.753 -6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.758 -8.484 -6.746 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.300 -7.771 -4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.321 -9.089 -3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.780 -9.380 -5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.725 -9.679 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.523 -11.757 -4.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.969 -11.389 -4.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.331 -11.199 -5.977 1.00 0.00 H new ATOM 583 N LYS A 38 6.309 -9.265 -7.050 1.00 0.00 N ATOM 584 CA LYS A 38 5.662 -10.534 -7.349 1.00 0.00 C ATOM 585 C LYS A 38 4.232 -10.328 -7.864 1.00 0.00 C ATOM 586 O LYS A 38 4.039 -9.996 -9.034 1.00 0.00 O ATOM 587 CB LYS A 38 5.683 -11.434 -6.115 1.00 0.00 C ATOM 588 CG LYS A 38 7.079 -11.785 -5.641 1.00 0.00 C ATOM 589 CD LYS A 38 7.034 -12.491 -4.301 1.00 0.00 C ATOM 590 CE LYS A 38 8.387 -12.460 -3.609 1.00 0.00 C ATOM 591 NZ LYS A 38 8.353 -13.151 -2.292 1.00 0.00 N ATOM 0 H LYS A 38 5.738 -8.609 -6.517 1.00 0.00 H new ATOM 0 HA LYS A 38 6.220 -11.025 -8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.148 -10.938 -5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.142 -12.354 -6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.567 -12.424 -6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.678 -10.878 -5.559 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.287 -12.017 -3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.721 -13.525 -4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.132 -12.933 -4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.699 -11.425 -3.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.274 -13.600 -2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.152 -12.459 -1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.609 -13.878 -2.300 1.00 0.00 H new ATOM 605 N SER A 39 3.229 -10.521 -7.002 1.00 0.00 N ATOM 606 CA SER A 39 1.839 -10.354 -7.415 1.00 0.00 C ATOM 607 C SER A 39 0.983 -9.809 -6.277 1.00 0.00 C ATOM 608 O SER A 39 1.475 -9.579 -5.173 1.00 0.00 O ATOM 609 CB SER A 39 1.270 -11.685 -7.902 1.00 0.00 C ATOM 610 OG SER A 39 1.991 -12.171 -9.022 1.00 0.00 O ATOM 0 H SER A 39 3.354 -10.790 -6.026 1.00 0.00 H new ATOM 0 HA SER A 39 1.818 -9.632 -8.231 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.309 -12.417 -7.095 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.221 -11.559 -8.168 1.00 0.00 H new ATOM 0 HG SER A 39 1.607 -13.025 -9.313 1.00 0.00 H new ATOM 616 N ALA A 40 -0.302 -9.603 -6.554 1.00 0.00 N ATOM 617 CA ALA A 40 -1.228 -9.095 -5.553 1.00 0.00 C ATOM 618 C ALA A 40 -1.356 -10.070 -4.385 1.00 0.00 C ATOM 619 O ALA A 40 -1.570 -9.665 -3.242 1.00 0.00 O ATOM 620 CB ALA A 40 -2.586 -8.846 -6.185 1.00 0.00 C ATOM 0 H ALA A 40 -0.723 -9.781 -7.466 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.837 -8.154 -5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.274 -8.466 -5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.486 -8.114 -6.986 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.974 -9.779 -6.593 1.00 0.00 H new ATOM 626 N ASP A 41 -1.221 -11.358 -4.682 1.00 0.00 N ATOM 627 CA ASP A 41 -1.318 -12.393 -3.659 1.00 0.00 C ATOM 628 C ASP A 41 -0.194 -12.255 -2.639 1.00 0.00 C ATOM 629 O ASP A 41 -0.391 -12.489 -1.446 1.00 0.00 O ATOM 630 CB ASP A 41 -1.274 -13.781 -4.299 1.00 0.00 C ATOM 631 CG ASP A 41 -0.044 -13.983 -5.162 1.00 0.00 C ATOM 632 OD1 ASP A 41 1.030 -14.283 -4.602 1.00 0.00 O ATOM 633 OD2 ASP A 41 -0.156 -13.838 -6.397 1.00 0.00 O ATOM 0 H ASP A 41 -1.044 -11.710 -5.623 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.270 -12.270 -3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.293 -14.539 -3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.168 -13.926 -4.906 1.00 0.00 H new ATOM 638 N ASP A 42 0.988 -11.876 -3.115 1.00 0.00 N ATOM 639 CA ASP A 42 2.142 -11.704 -2.242 1.00 0.00 C ATOM 640 C ASP A 42 1.957 -10.487 -1.343 1.00 0.00 C ATOM 641 O ASP A 42 2.086 -10.582 -0.126 1.00 0.00 O ATOM 642 CB ASP A 42 3.419 -11.552 -3.070 1.00 0.00 C ATOM 643 CG ASP A 42 3.710 -12.778 -3.913 1.00 0.00 C ATOM 644 OD1 ASP A 42 3.177 -12.863 -5.039 1.00 0.00 O ATOM 645 OD2 ASP A 42 4.469 -13.652 -3.446 1.00 0.00 O ATOM 0 H ASP A 42 1.171 -11.683 -4.100 1.00 0.00 H new ATOM 0 HA ASP A 42 2.231 -12.591 -1.615 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.326 -10.681 -3.719 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.261 -11.364 -2.404 1.00 0.00 H new ATOM 650 N VAL A 43 1.651 -9.348 -1.958 1.00 0.00 N ATOM 651 CA VAL A 43 1.437 -8.104 -1.225 1.00 0.00 C ATOM 652 C VAL A 43 0.267 -8.242 -0.253 1.00 0.00 C ATOM 653 O VAL A 43 0.284 -7.689 0.847 1.00 0.00 O ATOM 654 CB VAL A 43 1.158 -6.935 -2.192 1.00 0.00 C ATOM 655 CG1 VAL A 43 2.350 -6.694 -3.109 1.00 0.00 C ATOM 656 CG2 VAL A 43 -0.093 -7.215 -3.007 1.00 0.00 C ATOM 0 H VAL A 43 1.545 -9.261 -2.969 1.00 0.00 H new ATOM 0 HA VAL A 43 2.348 -7.894 -0.664 1.00 0.00 H new ATOM 0 HB VAL A 43 0.997 -6.032 -1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.130 -5.865 -3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.227 -6.451 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.547 -7.593 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.279 -6.383 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.046 -8.129 -3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.945 -7.334 -2.337 1.00 0.00 H new ATOM 666 N LYS A 44 -0.743 -8.989 -0.680 1.00 0.00 N ATOM 667 CA LYS A 44 -1.941 -9.231 0.120 1.00 0.00 C ATOM 668 C LYS A 44 -1.606 -9.739 1.521 1.00 0.00 C ATOM 669 O LYS A 44 -2.374 -9.545 2.460 1.00 0.00 O ATOM 670 CB LYS A 44 -2.862 -10.222 -0.584 1.00 0.00 C ATOM 671 CG LYS A 44 -3.881 -9.551 -1.488 1.00 0.00 C ATOM 672 CD LYS A 44 -4.746 -10.571 -2.211 1.00 0.00 C ATOM 673 CE LYS A 44 -4.805 -10.290 -3.703 1.00 0.00 C ATOM 674 NZ LYS A 44 -5.290 -8.913 -3.989 1.00 0.00 N ATOM 0 H LYS A 44 -0.756 -9.446 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.451 -8.274 0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.260 -10.912 -1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.385 -10.817 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.514 -8.891 -0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.365 -8.928 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.348 -11.572 -2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.754 -10.555 -1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.814 -10.423 -4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.463 -11.014 -4.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.364 -8.778 -5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.224 -8.777 -3.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.621 -8.221 -3.596 1.00 0.00 H new ATOM 688 N LYS A 45 -0.469 -10.400 1.665 1.00 0.00 N ATOM 689 CA LYS A 45 -0.101 -10.967 2.953 1.00 0.00 C ATOM 690 C LYS A 45 -0.094 -9.885 4.014 1.00 0.00 C ATOM 691 O LYS A 45 -0.346 -10.151 5.187 1.00 0.00 O ATOM 692 CB LYS A 45 1.257 -11.666 2.878 1.00 0.00 C ATOM 693 CG LYS A 45 1.146 -13.150 2.571 1.00 0.00 C ATOM 694 CD LYS A 45 0.460 -13.392 1.238 1.00 0.00 C ATOM 695 CE LYS A 45 0.331 -14.876 0.939 1.00 0.00 C ATOM 696 NZ LYS A 45 -0.387 -15.125 -0.341 1.00 0.00 N ATOM 0 H LYS A 45 0.207 -10.556 0.918 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.843 -11.717 3.225 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.864 -11.186 2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.780 -11.535 3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.141 -13.595 2.556 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.587 -13.646 3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.529 -12.935 1.249 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.027 -12.908 0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.323 -15.324 0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.201 -15.366 1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.334 -15.504 -0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.475 -14.233 -0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.147 -15.812 -0.910 1.00 0.00 H new ATOM 710 N VAL A 46 0.194 -8.660 3.594 1.00 0.00 N ATOM 711 CA VAL A 46 0.188 -7.533 4.500 1.00 0.00 C ATOM 712 C VAL A 46 -1.251 -7.050 4.664 1.00 0.00 C ATOM 713 O VAL A 46 -1.651 -6.578 5.727 1.00 0.00 O ATOM 714 CB VAL A 46 1.107 -6.386 3.993 1.00 0.00 C ATOM 715 CG1 VAL A 46 0.385 -5.433 3.044 1.00 0.00 C ATOM 716 CG2 VAL A 46 1.700 -5.629 5.169 1.00 0.00 C ATOM 0 H VAL A 46 0.434 -8.428 2.630 1.00 0.00 H new ATOM 0 HA VAL A 46 0.585 -7.847 5.466 1.00 0.00 H new ATOM 0 HB VAL A 46 1.913 -6.846 3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.073 -4.652 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.029 -5.986 2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.463 -4.980 3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.341 -4.829 4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.897 -5.203 5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.288 -6.312 5.782 1.00 0.00 H new ATOM 726 N PHE A 47 -2.017 -7.181 3.578 1.00 0.00 N ATOM 727 CA PHE A 47 -3.412 -6.779 3.574 1.00 0.00 C ATOM 728 C PHE A 47 -4.161 -7.486 4.690 1.00 0.00 C ATOM 729 O PHE A 47 -5.099 -6.941 5.268 1.00 0.00 O ATOM 730 CB PHE A 47 -4.065 -7.083 2.225 1.00 0.00 C ATOM 731 CG PHE A 47 -5.558 -6.923 2.220 1.00 0.00 C ATOM 732 CD1 PHE A 47 -6.138 -5.679 2.390 1.00 0.00 C ATOM 733 CD2 PHE A 47 -6.380 -8.024 2.045 1.00 0.00 C ATOM 734 CE1 PHE A 47 -7.512 -5.532 2.386 1.00 0.00 C ATOM 735 CE2 PHE A 47 -7.753 -7.886 2.042 1.00 0.00 C ATOM 736 CZ PHE A 47 -8.320 -6.638 2.211 1.00 0.00 C ATOM 0 H PHE A 47 -1.687 -7.564 2.692 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.459 -5.703 3.739 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.637 -6.425 1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.818 -8.104 1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.509 -4.812 2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.941 -9.002 1.909 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.953 -4.555 2.519 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.383 -8.753 1.908 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.394 -6.527 2.206 1.00 0.00 H new ATOM 746 N HIS A 48 -3.755 -8.715 4.971 1.00 0.00 N ATOM 747 CA HIS A 48 -4.373 -9.490 6.032 1.00 0.00 C ATOM 748 C HIS A 48 -3.951 -8.922 7.381 1.00 0.00 C ATOM 749 O HIS A 48 -4.667 -9.042 8.374 1.00 0.00 O ATOM 750 CB HIS A 48 -3.972 -10.963 5.928 1.00 0.00 C ATOM 751 CG HIS A 48 -4.552 -11.818 7.010 1.00 0.00 C ATOM 752 ND1 HIS A 48 -4.085 -11.811 8.308 1.00 0.00 N ATOM 753 CD2 HIS A 48 -5.570 -12.712 6.984 1.00 0.00 C ATOM 754 CE1 HIS A 48 -4.787 -12.665 9.030 1.00 0.00 C ATOM 755 NE2 HIS A 48 -5.694 -13.224 8.251 1.00 0.00 N ATOM 0 H HIS A 48 -3.001 -9.195 4.479 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.457 -9.427 5.934 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -4.290 -11.350 4.960 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -2.885 -11.038 5.960 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.172 -12.973 6.126 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.643 -12.871 10.080 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -6.377 -13.923 8.543 1.00 0.00 H new ATOM 764 N ILE A 49 -2.773 -8.304 7.398 1.00 0.00 N ATOM 765 CA ILE A 49 -2.235 -7.685 8.600 1.00 0.00 C ATOM 766 C ILE A 49 -2.903 -6.345 8.843 1.00 0.00 C ATOM 767 O ILE A 49 -3.366 -6.047 9.944 1.00 0.00 O ATOM 768 CB ILE A 49 -0.724 -7.435 8.460 1.00 0.00 C ATOM 769 CG1 ILE A 49 -0.019 -8.678 7.923 1.00 0.00 C ATOM 770 CG2 ILE A 49 -0.128 -7.015 9.795 1.00 0.00 C ATOM 771 CD1 ILE A 49 -0.119 -9.880 8.834 1.00 0.00 C ATOM 0 H ILE A 49 -2.169 -8.220 6.581 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.424 -8.366 9.430 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.575 -6.625 7.746 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.444 -8.934 6.952 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.033 -8.445 7.759 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.942 -6.842 9.678 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.608 -6.098 10.136 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.290 -7.804 10.530 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.406 -10.722 8.384 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.332 -9.645 9.798 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.167 -10.141 8.978 1.00 0.00 H new ATOM 783 N LEU A 50 -2.940 -5.543 7.789 1.00 0.00 N ATOM 784 CA LEU A 50 -3.517 -4.217 7.841 1.00 0.00 C ATOM 785 C LEU A 50 -5.043 -4.255 7.765 1.00 0.00 C ATOM 786 O LEU A 50 -5.723 -3.533 8.490 1.00 0.00 O ATOM 787 CB LEU A 50 -2.919 -3.403 6.697 1.00 0.00 C ATOM 788 CG LEU A 50 -1.399 -3.513 6.572 1.00 0.00 C ATOM 789 CD1 LEU A 50 -0.877 -2.518 5.547 1.00 0.00 C ATOM 790 CD2 LEU A 50 -0.725 -3.298 7.923 1.00 0.00 C ATOM 0 H LEU A 50 -2.569 -5.798 6.874 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.279 -3.750 8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.373 -3.727 5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.185 -2.355 6.835 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.157 -4.520 6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.206 -2.609 5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.328 -2.725 4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.135 -1.506 5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.356 -3.381 7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.974 -2.306 8.300 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.074 -4.053 8.628 1.00 0.00 H new ATOM 802 N ASP A 51 -5.581 -5.106 6.896 1.00 0.00 N ATOM 803 CA ASP A 51 -7.029 -5.226 6.747 1.00 0.00 C ATOM 804 C ASP A 51 -7.540 -6.527 7.363 1.00 0.00 C ATOM 805 O ASP A 51 -8.313 -7.256 6.742 1.00 0.00 O ATOM 806 CB ASP A 51 -7.407 -5.171 5.276 1.00 0.00 C ATOM 807 CG ASP A 51 -8.893 -4.973 5.055 1.00 0.00 C ATOM 808 OD1 ASP A 51 -9.650 -5.958 5.188 1.00 0.00 O ATOM 809 OD2 ASP A 51 -9.299 -3.835 4.745 1.00 0.00 O ATOM 0 H ASP A 51 -5.040 -5.720 6.287 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.493 -4.392 7.273 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.862 -4.358 4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.093 -6.095 4.791 1.00 0.00 H new ATOM 814 N LYS A 52 -7.104 -6.815 8.587 1.00 0.00 N ATOM 815 CA LYS A 52 -7.507 -8.037 9.272 1.00 0.00 C ATOM 816 C LYS A 52 -8.976 -7.999 9.704 1.00 0.00 C ATOM 817 O LYS A 52 -9.726 -8.938 9.439 1.00 0.00 O ATOM 818 CB LYS A 52 -6.587 -8.314 10.474 1.00 0.00 C ATOM 819 CG LYS A 52 -6.817 -7.433 11.696 1.00 0.00 C ATOM 820 CD LYS A 52 -6.326 -6.009 11.473 1.00 0.00 C ATOM 821 CE LYS A 52 -6.321 -5.217 12.770 1.00 0.00 C ATOM 822 NZ LYS A 52 -5.832 -3.826 12.572 1.00 0.00 N ATOM 0 H LYS A 52 -6.473 -6.219 9.123 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.405 -8.856 8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.711 -9.356 10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.552 -8.195 10.152 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.880 -7.417 11.936 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.303 -7.863 12.555 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.320 -6.030 11.054 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.965 -5.512 10.743 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.329 -5.191 13.183 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.690 -5.722 13.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.845 -3.321 13.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.860 -3.849 12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.449 -3.334 11.894 1.00 0.00 H new ATOM 836 N ASP A 53 -9.386 -6.921 10.366 1.00 0.00 N ATOM 837 CA ASP A 53 -10.764 -6.794 10.831 1.00 0.00 C ATOM 838 C ASP A 53 -11.490 -5.640 10.146 1.00 0.00 C ATOM 839 O ASP A 53 -12.505 -5.155 10.646 1.00 0.00 O ATOM 840 CB ASP A 53 -10.797 -6.596 12.349 1.00 0.00 C ATOM 841 CG ASP A 53 -10.062 -5.345 12.789 1.00 0.00 C ATOM 842 OD1 ASP A 53 -10.167 -4.318 12.086 1.00 0.00 O ATOM 843 OD2 ASP A 53 -9.387 -5.393 13.838 1.00 0.00 O ATOM 0 H ASP A 53 -8.788 -6.126 10.592 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.281 -7.718 10.572 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.833 -6.540 12.682 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.352 -7.464 12.835 1.00 0.00 H new ATOM 848 N LYS A 54 -10.974 -5.199 9.004 1.00 0.00 N ATOM 849 CA LYS A 54 -11.592 -4.098 8.276 1.00 0.00 C ATOM 850 C LYS A 54 -12.622 -4.591 7.259 1.00 0.00 C ATOM 851 O LYS A 54 -13.075 -3.827 6.405 1.00 0.00 O ATOM 852 CB LYS A 54 -10.535 -3.246 7.597 1.00 0.00 C ATOM 853 CG LYS A 54 -9.409 -2.830 8.530 1.00 0.00 C ATOM 854 CD LYS A 54 -8.469 -1.839 7.866 1.00 0.00 C ATOM 855 CE LYS A 54 -7.509 -1.222 8.872 1.00 0.00 C ATOM 856 NZ LYS A 54 -8.217 -0.372 9.867 1.00 0.00 N ATOM 0 H LYS A 54 -10.137 -5.583 8.566 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.123 -3.484 9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.116 -3.800 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.006 -2.353 7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.829 -2.385 9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.849 -3.712 8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.903 -2.342 7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.049 -1.052 7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.969 -2.014 9.391 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.767 -0.622 8.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.537 0.272 10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.954 0.184 9.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.656 -0.977 10.590 1.00 0.00 H new ATOM 870 N SER A 55 -12.991 -5.867 7.352 1.00 0.00 N ATOM 871 CA SER A 55 -13.987 -6.450 6.455 1.00 0.00 C ATOM 872 C SER A 55 -13.496 -6.508 5.012 1.00 0.00 C ATOM 873 O SER A 55 -14.277 -6.344 4.075 1.00 0.00 O ATOM 874 CB SER A 55 -15.290 -5.651 6.525 1.00 0.00 C ATOM 875 OG SER A 55 -15.808 -5.633 7.844 1.00 0.00 O ATOM 0 H SER A 55 -12.614 -6.518 8.041 1.00 0.00 H new ATOM 0 HA SER A 55 -14.163 -7.473 6.787 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.113 -4.630 6.187 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.025 -6.088 5.849 1.00 0.00 H new ATOM 0 HG SER A 55 -16.640 -5.115 7.862 1.00 0.00 H new ATOM 881 N GLY A 56 -12.202 -6.743 4.835 1.00 0.00 N ATOM 882 CA GLY A 56 -11.642 -6.831 3.498 1.00 0.00 C ATOM 883 C GLY A 56 -11.560 -5.489 2.789 1.00 0.00 C ATOM 884 O GLY A 56 -11.178 -5.426 1.622 1.00 0.00 O ATOM 0 H GLY A 56 -11.530 -6.874 5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.643 -7.264 3.558 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.249 -7.512 2.902 1.00 0.00 H new ATOM 888 N PHE A 57 -11.924 -4.413 3.484 1.00 0.00 N ATOM 889 CA PHE A 57 -11.869 -3.081 2.894 1.00 0.00 C ATOM 890 C PHE A 57 -11.361 -2.065 3.904 1.00 0.00 C ATOM 891 O PHE A 57 -11.793 -2.042 5.056 1.00 0.00 O ATOM 892 CB PHE A 57 -13.243 -2.649 2.373 1.00 0.00 C ATOM 893 CG PHE A 57 -13.824 -3.587 1.355 1.00 0.00 C ATOM 894 CD1 PHE A 57 -13.388 -3.559 0.040 1.00 0.00 C ATOM 895 CD2 PHE A 57 -14.808 -4.496 1.713 1.00 0.00 C ATOM 896 CE1 PHE A 57 -13.923 -4.422 -0.899 1.00 0.00 C ATOM 897 CE2 PHE A 57 -15.345 -5.360 0.779 1.00 0.00 C ATOM 898 CZ PHE A 57 -14.903 -5.323 -0.530 1.00 0.00 C ATOM 0 H PHE A 57 -12.257 -4.438 4.448 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.176 -3.123 2.053 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -13.932 -2.568 3.214 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.159 -1.655 1.933 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.623 -2.856 -0.255 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.159 -4.529 2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -13.575 -4.392 -1.921 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.110 -6.064 1.071 1.00 0.00 H new ATOM 0 HZ PHE A 57 -15.323 -5.997 -1.262 1.00 0.00 H new ATOM 908 N ILE A 58 -10.440 -1.224 3.460 1.00 0.00 N ATOM 909 CA ILE A 58 -9.871 -0.194 4.311 1.00 0.00 C ATOM 910 C ILE A 58 -10.455 1.154 3.948 1.00 0.00 C ATOM 911 O ILE A 58 -10.672 1.457 2.779 1.00 0.00 O ATOM 912 CB ILE A 58 -8.341 -0.144 4.191 1.00 0.00 C ATOM 913 CG1 ILE A 58 -7.765 -1.561 4.164 1.00 0.00 C ATOM 914 CG2 ILE A 58 -7.763 0.639 5.354 1.00 0.00 C ATOM 915 CD1 ILE A 58 -6.284 -1.605 3.856 1.00 0.00 C ATOM 0 H ILE A 58 -10.070 -1.236 2.510 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.121 -0.438 5.343 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.072 0.354 3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.941 -2.035 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.301 -2.148 3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.677 0.673 5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.160 1.654 5.342 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.036 0.154 6.291 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.944 -2.640 3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.103 -1.161 2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.738 -1.046 4.615 1.00 0.00 H new ATOM 927 N GLU A 59 -10.687 1.963 4.961 1.00 0.00 N ATOM 928 CA GLU A 59 -11.292 3.262 4.774 1.00 0.00 C ATOM 929 C GLU A 59 -10.268 4.379 4.863 1.00 0.00 C ATOM 930 O GLU A 59 -9.448 4.435 5.777 1.00 0.00 O ATOM 931 CB GLU A 59 -12.375 3.437 5.824 1.00 0.00 C ATOM 932 CG GLU A 59 -13.736 2.940 5.369 1.00 0.00 C ATOM 933 CD GLU A 59 -14.860 3.406 6.274 1.00 0.00 C ATOM 934 OE1 GLU A 59 -15.016 2.829 7.372 1.00 0.00 O ATOM 935 OE2 GLU A 59 -15.584 4.347 5.887 1.00 0.00 O ATOM 0 H GLU A 59 -10.463 1.739 5.931 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.724 3.316 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.084 2.903 6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.450 4.492 6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.925 3.288 4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.729 1.851 5.337 1.00 0.00 H new ATOM 942 N GLU A 60 -10.358 5.278 3.890 1.00 0.00 N ATOM 943 CA GLU A 60 -9.460 6.424 3.759 1.00 0.00 C ATOM 944 C GLU A 60 -9.004 6.984 5.104 1.00 0.00 C ATOM 945 O GLU A 60 -7.887 7.484 5.221 1.00 0.00 O ATOM 946 CB GLU A 60 -10.147 7.523 2.956 1.00 0.00 C ATOM 947 CG GLU A 60 -11.444 7.964 3.585 1.00 0.00 C ATOM 948 CD GLU A 60 -11.755 9.426 3.332 1.00 0.00 C ATOM 949 OE1 GLU A 60 -12.369 9.730 2.287 1.00 0.00 O ATOM 950 OE2 GLU A 60 -11.386 10.267 4.177 1.00 0.00 O ATOM 0 H GLU A 60 -11.067 5.232 3.158 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.568 6.070 3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.478 8.379 2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.339 7.165 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.257 7.352 3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.399 7.788 4.660 1.00 0.00 H new ATOM 957 N ASP A 61 -9.867 6.914 6.110 1.00 0.00 N ATOM 958 CA ASP A 61 -9.523 7.423 7.431 1.00 0.00 C ATOM 959 C ASP A 61 -8.470 6.540 8.089 1.00 0.00 C ATOM 960 O ASP A 61 -7.438 7.024 8.551 1.00 0.00 O ATOM 961 CB ASP A 61 -10.769 7.507 8.313 1.00 0.00 C ATOM 962 CG ASP A 61 -11.835 8.408 7.720 1.00 0.00 C ATOM 963 OD1 ASP A 61 -11.800 9.627 7.991 1.00 0.00 O ATOM 964 OD2 ASP A 61 -12.704 7.895 6.985 1.00 0.00 O ATOM 0 H ASP A 61 -10.802 6.513 6.038 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.110 8.425 7.314 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.179 6.507 8.454 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.489 7.879 9.299 1.00 0.00 H new ATOM 969 N GLU A 62 -8.742 5.241 8.128 1.00 0.00 N ATOM 970 CA GLU A 62 -7.813 4.284 8.711 1.00 0.00 C ATOM 971 C GLU A 62 -6.751 3.881 7.688 1.00 0.00 C ATOM 972 O GLU A 62 -5.701 3.348 8.044 1.00 0.00 O ATOM 973 CB GLU A 62 -8.563 3.045 9.201 1.00 0.00 C ATOM 974 CG GLU A 62 -9.647 3.356 10.219 1.00 0.00 C ATOM 975 CD GLU A 62 -9.112 4.075 11.441 1.00 0.00 C ATOM 976 OE1 GLU A 62 -8.647 3.390 12.377 1.00 0.00 O ATOM 977 OE2 GLU A 62 -9.155 5.323 11.462 1.00 0.00 O ATOM 0 H GLU A 62 -9.599 4.827 7.762 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.321 4.757 9.561 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.013 2.540 8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.850 2.349 9.643 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.416 3.969 9.749 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.126 2.427 10.529 1.00 0.00 H new ATOM 984 N LEU A 63 -7.038 4.142 6.413 1.00 0.00 N ATOM 985 CA LEU A 63 -6.119 3.819 5.333 1.00 0.00 C ATOM 986 C LEU A 63 -4.739 4.379 5.627 1.00 0.00 C ATOM 987 O LEU A 63 -3.754 3.647 5.673 1.00 0.00 O ATOM 988 CB LEU A 63 -6.649 4.419 4.029 1.00 0.00 C ATOM 989 CG LEU A 63 -6.485 3.571 2.754 1.00 0.00 C ATOM 990 CD1 LEU A 63 -5.174 2.789 2.738 1.00 0.00 C ATOM 991 CD2 LEU A 63 -7.668 2.634 2.586 1.00 0.00 C ATOM 0 H LEU A 63 -7.907 4.579 6.106 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.043 2.736 5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.710 4.632 4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.149 5.374 3.868 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.453 4.261 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.108 2.208 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.335 3.483 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.141 2.116 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.537 2.042 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.731 1.970 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.586 3.217 2.509 1.00 0.00 H new ATOM 1003 N GLY A 64 -4.701 5.674 5.883 1.00 0.00 N ATOM 1004 CA GLY A 64 -3.449 6.349 6.159 1.00 0.00 C ATOM 1005 C GLY A 64 -2.812 5.916 7.460 1.00 0.00 C ATOM 1006 O GLY A 64 -1.612 6.100 7.661 1.00 0.00 O ATOM 0 H GLY A 64 -5.523 6.278 5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.754 6.160 5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.622 7.425 6.187 1.00 0.00 H new ATOM 1010 N SER A 65 -3.603 5.333 8.343 1.00 0.00 N ATOM 1011 CA SER A 65 -3.094 4.881 9.628 1.00 0.00 C ATOM 1012 C SER A 65 -2.563 3.465 9.504 1.00 0.00 C ATOM 1013 O SER A 65 -1.405 3.183 9.810 1.00 0.00 O ATOM 1014 CB SER A 65 -4.200 4.922 10.680 1.00 0.00 C ATOM 1015 OG SER A 65 -3.705 4.558 11.958 1.00 0.00 O ATOM 0 H SER A 65 -4.598 5.161 8.196 1.00 0.00 H new ATOM 0 HA SER A 65 -2.286 5.545 9.936 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.627 5.924 10.724 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.005 4.245 10.392 1.00 0.00 H new ATOM 0 HG SER A 65 -4.433 4.594 12.613 1.00 0.00 H new ATOM 1021 N ILE A 66 -3.429 2.584 9.039 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.085 1.188 8.863 1.00 0.00 C ATOM 1023 C ILE A 66 -1.987 0.998 7.805 1.00 0.00 C ATOM 1024 O ILE A 66 -1.347 -0.052 7.753 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.333 0.372 8.491 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -4.061 -1.109 8.661 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -4.780 0.685 7.076 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -4.285 -1.606 10.072 1.00 0.00 C ATOM 0 H ILE A 66 -4.386 2.816 8.774 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.692 0.825 9.813 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.144 0.651 9.164 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.703 -1.669 7.981 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.031 -1.317 8.370 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.665 0.096 6.835 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.018 1.746 6.996 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.979 0.439 6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.072 -2.674 10.120 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.624 -1.073 10.755 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.322 -1.430 10.359 1.00 0.00 H new ATOM 1040 N LEU A 67 -1.771 2.015 6.963 1.00 0.00 N ATOM 1041 CA LEU A 67 -0.729 1.951 5.931 1.00 0.00 C ATOM 1042 C LEU A 67 0.616 1.595 6.546 1.00 0.00 C ATOM 1043 O LEU A 67 1.521 1.097 5.866 1.00 0.00 O ATOM 1044 CB LEU A 67 -0.607 3.291 5.207 1.00 0.00 C ATOM 1045 CG LEU A 67 -0.895 3.236 3.708 1.00 0.00 C ATOM 1046 CD1 LEU A 67 -2.381 3.273 3.444 1.00 0.00 C ATOM 1047 CD2 LEU A 67 -0.179 4.365 2.984 1.00 0.00 C ATOM 0 H LEU A 67 -2.300 2.887 6.975 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.015 1.178 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.292 4.002 5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.401 3.678 5.355 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.513 2.292 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.561 3.233 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.857 2.418 3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.799 4.195 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.396 4.309 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.522 5.323 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.896 4.274 3.140 1.00 0.00 H new ATOM 1059 N LYS A 68 0.745 1.866 7.836 1.00 0.00 N ATOM 1060 CA LYS A 68 1.972 1.593 8.547 1.00 0.00 C ATOM 1061 C LYS A 68 2.475 0.175 8.295 1.00 0.00 C ATOM 1062 O LYS A 68 3.645 -0.103 8.532 1.00 0.00 O ATOM 1063 CB LYS A 68 1.769 1.843 10.030 1.00 0.00 C ATOM 1064 CG LYS A 68 1.358 3.275 10.329 1.00 0.00 C ATOM 1065 CD LYS A 68 0.644 3.384 11.667 1.00 0.00 C ATOM 1066 CE LYS A 68 1.554 2.977 12.815 1.00 0.00 C ATOM 1067 NZ LYS A 68 0.861 3.067 14.130 1.00 0.00 N ATOM 0 H LYS A 68 0.008 2.277 8.409 1.00 0.00 H new ATOM 0 HA LYS A 68 2.740 2.269 8.171 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.006 1.163 10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.692 1.615 10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.241 3.914 10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.705 3.640 9.536 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.302 4.408 11.817 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.243 2.750 11.661 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.903 1.957 12.658 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.436 3.618 12.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.514 2.782 14.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.550 4.046 14.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.034 2.436 14.130 1.00 0.00 H new ATOM 1081 N GLY A 69 1.603 -0.736 7.822 1.00 0.00 N ATOM 1082 CA GLY A 69 2.052 -2.094 7.522 1.00 0.00 C ATOM 1083 C GLY A 69 3.404 -2.081 6.835 1.00 0.00 C ATOM 1084 O GLY A 69 4.332 -2.780 7.239 1.00 0.00 O ATOM 0 H GLY A 69 0.614 -0.558 7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.114 -2.672 8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.321 -2.590 6.884 1.00 0.00 H new ATOM 1088 N PHE A 70 3.493 -1.270 5.790 1.00 0.00 N ATOM 1089 CA PHE A 70 4.731 -1.093 5.060 1.00 0.00 C ATOM 1090 C PHE A 70 5.432 0.188 5.530 1.00 0.00 C ATOM 1091 O PHE A 70 6.585 0.173 5.956 1.00 0.00 O ATOM 1092 CB PHE A 70 4.483 -1.024 3.546 1.00 0.00 C ATOM 1093 CG PHE A 70 3.128 -0.507 3.142 1.00 0.00 C ATOM 1094 CD1 PHE A 70 2.007 -1.312 3.249 1.00 0.00 C ATOM 1095 CD2 PHE A 70 2.980 0.779 2.634 1.00 0.00 C ATOM 1096 CE1 PHE A 70 0.763 -0.849 2.864 1.00 0.00 C ATOM 1097 CE2 PHE A 70 1.737 1.247 2.242 1.00 0.00 C ATOM 1098 CZ PHE A 70 0.630 0.429 2.358 1.00 0.00 C ATOM 0 H PHE A 70 2.712 -0.722 5.430 1.00 0.00 H new ATOM 0 HA PHE A 70 5.367 -1.955 5.259 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.246 -0.387 3.098 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.614 -2.022 3.127 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.106 -2.315 3.638 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.844 1.420 2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.104 -1.486 2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.634 2.247 1.847 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.341 0.790 2.052 1.00 0.00 H new ATOM 1108 N SER A 71 4.669 1.283 5.487 1.00 0.00 N ATOM 1109 CA SER A 71 5.130 2.632 5.832 1.00 0.00 C ATOM 1110 C SER A 71 5.391 2.852 7.326 1.00 0.00 C ATOM 1111 O SER A 71 5.744 3.962 7.726 1.00 0.00 O ATOM 1112 CB SER A 71 4.122 3.668 5.333 1.00 0.00 C ATOM 1113 OG SER A 71 2.815 3.372 5.789 1.00 0.00 O ATOM 0 H SER A 71 3.689 1.256 5.204 1.00 0.00 H new ATOM 0 HA SER A 71 6.093 2.750 5.336 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.415 4.660 5.678 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.133 3.694 4.243 1.00 0.00 H new ATOM 0 HG SER A 71 2.492 2.557 5.351 1.00 0.00 H new ATOM 1119 N SER A 72 5.221 1.826 8.155 1.00 0.00 N ATOM 1120 CA SER A 72 5.420 1.986 9.603 1.00 0.00 C ATOM 1121 C SER A 72 6.693 2.774 9.920 1.00 0.00 C ATOM 1122 O SER A 72 6.801 3.374 10.989 1.00 0.00 O ATOM 1123 CB SER A 72 5.488 0.623 10.299 1.00 0.00 C ATOM 1124 OG SER A 72 6.188 -0.322 9.507 1.00 0.00 O ATOM 0 H SER A 72 4.950 0.887 7.862 1.00 0.00 H new ATOM 0 HA SER A 72 4.563 2.546 9.977 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.982 0.729 11.265 1.00 0.00 H new ATOM 0 HB3 SER A 72 4.479 0.261 10.495 1.00 0.00 H new ATOM 0 HG SER A 72 5.577 -0.713 8.848 1.00 0.00 H new ATOM 1130 N ASP A 73 7.652 2.776 9.001 1.00 0.00 N ATOM 1131 CA ASP A 73 8.889 3.517 9.207 1.00 0.00 C ATOM 1132 C ASP A 73 9.097 4.567 8.116 1.00 0.00 C ATOM 1133 O ASP A 73 10.157 4.620 7.493 1.00 0.00 O ATOM 1134 CB ASP A 73 10.077 2.562 9.256 1.00 0.00 C ATOM 1135 CG ASP A 73 10.020 1.504 8.173 1.00 0.00 C ATOM 1136 OD1 ASP A 73 9.128 0.632 8.242 1.00 0.00 O ATOM 1137 OD2 ASP A 73 10.870 1.542 7.259 1.00 0.00 O ATOM 0 H ASP A 73 7.597 2.277 8.113 1.00 0.00 H new ATOM 0 HA ASP A 73 8.813 4.037 10.162 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.001 3.132 9.154 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.108 2.077 10.231 1.00 0.00 H new ATOM 1142 N ALA A 74 8.084 5.406 7.886 1.00 0.00 N ATOM 1143 CA ALA A 74 8.180 6.452 6.869 1.00 0.00 C ATOM 1144 C ALA A 74 7.120 7.541 7.054 1.00 0.00 C ATOM 1145 O ALA A 74 7.345 8.516 7.773 1.00 0.00 O ATOM 1146 CB ALA A 74 8.086 5.849 5.476 1.00 0.00 C ATOM 0 H ALA A 74 7.196 5.381 8.386 1.00 0.00 H new ATOM 0 HA ALA A 74 9.154 6.928 6.987 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.159 6.641 4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.900 5.139 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.131 5.334 5.366 1.00 0.00 H new ATOM 1152 N ARG A 75 5.964 7.377 6.406 1.00 0.00 N ATOM 1153 CA ARG A 75 4.891 8.365 6.500 1.00 0.00 C ATOM 1154 C ARG A 75 3.518 7.711 6.340 1.00 0.00 C ATOM 1155 O ARG A 75 3.402 6.486 6.333 1.00 0.00 O ATOM 1156 CB ARG A 75 5.082 9.452 5.438 1.00 0.00 C ATOM 1157 CG ARG A 75 6.415 10.176 5.545 1.00 0.00 C ATOM 1158 CD ARG A 75 6.454 11.405 4.651 1.00 0.00 C ATOM 1159 NE ARG A 75 5.403 12.360 4.993 1.00 0.00 N ATOM 1160 CZ ARG A 75 5.492 13.225 5.998 1.00 0.00 C ATOM 1161 NH1 ARG A 75 6.577 13.249 6.760 1.00 0.00 N ATOM 1162 NH2 ARG A 75 4.495 14.064 6.244 1.00 0.00 N ATOM 0 H ARG A 75 5.749 6.574 5.815 1.00 0.00 H new ATOM 0 HA ARG A 75 4.936 8.818 7.491 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.001 9.001 4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.275 10.179 5.524 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.588 10.472 6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.222 9.498 5.268 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.427 11.888 4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.344 11.101 3.610 1.00 0.00 H new ATOM 0 HE ARG A 75 4.553 12.363 4.429 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.344 12.603 6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.644 13.913 7.531 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.658 14.046 5.661 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.565 14.727 7.016 1.00 0.00 H new ATOM 1176 N ASP A 76 2.480 8.539 6.213 1.00 0.00 N ATOM 1177 CA ASP A 76 1.117 8.036 6.068 1.00 0.00 C ATOM 1178 C ASP A 76 0.408 8.646 4.858 1.00 0.00 C ATOM 1179 O ASP A 76 0.682 9.780 4.465 1.00 0.00 O ATOM 1180 CB ASP A 76 0.317 8.335 7.337 1.00 0.00 C ATOM 1181 CG ASP A 76 0.313 9.811 7.685 1.00 0.00 C ATOM 1182 OD1 ASP A 76 1.239 10.256 8.394 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -0.617 10.520 7.248 1.00 0.00 O ATOM 0 H ASP A 76 2.558 9.556 6.208 1.00 0.00 H new ATOM 0 HA ASP A 76 1.178 6.959 5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.710 7.993 7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.737 7.770 8.169 1.00 0.00 H new ATOM 1188 N LEU A 77 -0.511 7.873 4.281 1.00 0.00 N ATOM 1189 CA LEU A 77 -1.288 8.306 3.123 1.00 0.00 C ATOM 1190 C LEU A 77 -2.256 9.426 3.530 1.00 0.00 C ATOM 1191 O LEU A 77 -3.174 9.219 4.324 1.00 0.00 O ATOM 1192 CB LEU A 77 -1.989 7.070 2.518 1.00 0.00 C ATOM 1193 CG LEU A 77 -3.517 7.080 2.380 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -3.943 7.769 1.101 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.032 5.653 2.393 1.00 0.00 C ATOM 0 H LEU A 77 -0.737 6.932 4.603 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.648 8.732 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.569 6.905 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.718 6.207 3.126 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.939 7.633 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.031 7.762 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.587 8.799 1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.519 7.243 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.118 5.657 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.595 5.101 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.754 5.174 3.332 1.00 0.00 H new ATOM 1207 N SER A 78 -2.008 10.629 3.009 1.00 0.00 N ATOM 1208 CA SER A 78 -2.829 11.797 3.331 1.00 0.00 C ATOM 1209 C SER A 78 -3.802 12.132 2.204 1.00 0.00 C ATOM 1210 O SER A 78 -4.026 11.324 1.309 1.00 0.00 O ATOM 1211 CB SER A 78 -1.932 13.003 3.616 1.00 0.00 C ATOM 1212 OG SER A 78 -2.700 14.141 3.968 1.00 0.00 O ATOM 0 H SER A 78 -1.244 10.820 2.361 1.00 0.00 H new ATOM 0 HA SER A 78 -3.415 11.556 4.218 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.241 12.763 4.424 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.328 13.226 2.736 1.00 0.00 H new ATOM 0 HG SER A 78 -2.565 14.846 3.301 1.00 0.00 H new ATOM 1218 N ALA A 79 -4.372 13.334 2.256 1.00 0.00 N ATOM 1219 CA ALA A 79 -5.331 13.780 1.246 1.00 0.00 C ATOM 1220 C ALA A 79 -4.818 13.518 -0.166 1.00 0.00 C ATOM 1221 O ALA A 79 -5.509 12.913 -0.985 1.00 0.00 O ATOM 1222 CB ALA A 79 -5.617 15.260 1.422 1.00 0.00 C ATOM 0 H ALA A 79 -4.186 14.019 2.989 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.250 13.210 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.332 15.585 0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.033 15.435 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.691 15.825 1.312 1.00 0.00 H new ATOM 1228 N LYS A 80 -3.605 13.977 -0.445 1.00 0.00 N ATOM 1229 CA LYS A 80 -3.000 13.777 -1.758 1.00 0.00 C ATOM 1230 C LYS A 80 -3.028 12.298 -2.128 1.00 0.00 C ATOM 1231 O LYS A 80 -3.426 11.924 -3.231 1.00 0.00 O ATOM 1232 CB LYS A 80 -1.557 14.290 -1.763 1.00 0.00 C ATOM 1233 CG LYS A 80 -0.832 14.065 -3.080 1.00 0.00 C ATOM 1234 CD LYS A 80 -1.178 15.136 -4.102 1.00 0.00 C ATOM 1235 CE LYS A 80 -0.627 16.495 -3.698 1.00 0.00 C ATOM 1236 NZ LYS A 80 -0.789 17.506 -4.779 1.00 0.00 N ATOM 0 H LYS A 80 -3.021 14.489 0.217 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.574 14.338 -2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.559 15.356 -1.538 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.003 13.797 -0.965 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.244 14.061 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.095 13.084 -3.477 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.776 14.854 -5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.261 15.200 -4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.137 16.840 -2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.429 16.398 -3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.401 18.418 -4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.281 17.189 -5.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.799 17.618 -5.001 1.00 0.00 H new ATOM 1250 N GLU A 81 -2.606 11.467 -1.186 1.00 0.00 N ATOM 1251 CA GLU A 81 -2.574 10.028 -1.368 1.00 0.00 C ATOM 1252 C GLU A 81 -3.983 9.452 -1.345 1.00 0.00 C ATOM 1253 O GLU A 81 -4.228 8.379 -1.884 1.00 0.00 O ATOM 1254 CB GLU A 81 -1.717 9.388 -0.280 1.00 0.00 C ATOM 1255 CG GLU A 81 -0.411 10.122 -0.030 1.00 0.00 C ATOM 1256 CD GLU A 81 0.395 10.318 -1.298 1.00 0.00 C ATOM 1257 OE1 GLU A 81 -0.050 11.095 -2.169 1.00 0.00 O ATOM 1258 OE2 GLU A 81 1.472 9.695 -1.420 1.00 0.00 O ATOM 0 H GLU A 81 -2.276 11.776 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.134 9.807 -2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.288 9.352 0.648 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.498 8.357 -0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.623 11.094 0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.184 9.563 0.692 1.00 0.00 H new ATOM 1265 N THR A 82 -4.911 10.142 -0.694 1.00 0.00 N ATOM 1266 CA THR A 82 -6.284 9.671 -0.675 1.00 0.00 C ATOM 1267 C THR A 82 -6.784 9.657 -2.108 1.00 0.00 C ATOM 1268 O THR A 82 -7.313 8.658 -2.601 1.00 0.00 O ATOM 1269 CB THR A 82 -7.185 10.589 0.183 1.00 0.00 C ATOM 1270 OG1 THR A 82 -6.809 10.493 1.561 1.00 0.00 O ATOM 1271 CG2 THR A 82 -8.658 10.229 0.030 1.00 0.00 C ATOM 0 H THR A 82 -4.742 11.009 -0.184 1.00 0.00 H new ATOM 0 HA THR A 82 -6.321 8.675 -0.234 1.00 0.00 H new ATOM 0 HB THR A 82 -7.047 11.612 -0.167 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.846 10.652 1.649 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.261 10.895 0.647 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.952 10.336 -1.014 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.815 9.198 0.347 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.587 10.787 -2.767 1.00 0.00 N ATOM 1280 CA LYS A 83 -6.952 10.943 -4.159 1.00 0.00 C ATOM 1281 C LYS A 83 -5.938 10.257 -5.072 1.00 0.00 C ATOM 1282 O LYS A 83 -6.284 9.798 -6.158 1.00 0.00 O ATOM 1283 CB LYS A 83 -7.061 12.424 -4.520 1.00 0.00 C ATOM 1284 CG LYS A 83 -8.042 13.190 -3.647 1.00 0.00 C ATOM 1285 CD LYS A 83 -8.816 14.218 -4.454 1.00 0.00 C ATOM 1286 CE LYS A 83 -9.771 13.550 -5.430 1.00 0.00 C ATOM 1287 NZ LYS A 83 -10.791 12.723 -4.731 1.00 0.00 N ATOM 0 H LYS A 83 -6.170 11.619 -2.350 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.923 10.469 -4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.076 12.884 -4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.367 12.514 -5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.738 12.493 -3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.502 13.689 -2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.376 14.866 -3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.119 14.853 -5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.270 14.312 -6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.206 12.923 -6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.587 12.537 -5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.365 11.821 -4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.135 13.232 -3.892 1.00 0.00 H new ATOM 1301 N THR A 84 -4.673 10.199 -4.632 1.00 0.00 N ATOM 1302 CA THR A 84 -3.621 9.615 -5.453 1.00 0.00 C ATOM 1303 C THR A 84 -3.480 8.106 -5.276 1.00 0.00 C ATOM 1304 O THR A 84 -3.569 7.353 -6.245 1.00 0.00 O ATOM 1305 CB THR A 84 -2.257 10.282 -5.185 1.00 0.00 C ATOM 1306 OG1 THR A 84 -2.355 11.697 -5.389 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.185 9.710 -6.102 1.00 0.00 C ATOM 0 H THR A 84 -4.363 10.546 -3.724 1.00 0.00 H new ATOM 0 HA THR A 84 -3.928 9.802 -6.482 1.00 0.00 H new ATOM 0 HB THR A 84 -1.977 10.080 -4.151 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.576 12.135 -4.541 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.232 10.196 -5.895 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.091 8.638 -5.928 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.463 9.886 -7.141 1.00 0.00 H new ATOM 1315 N LEU A 85 -3.261 7.665 -4.044 1.00 0.00 N ATOM 1316 CA LEU A 85 -3.079 6.238 -3.775 1.00 0.00 C ATOM 1317 C LEU A 85 -4.391 5.463 -3.696 1.00 0.00 C ATOM 1318 O LEU A 85 -4.563 4.475 -4.410 1.00 0.00 O ATOM 1319 CB LEU A 85 -2.289 6.031 -2.488 1.00 0.00 C ATOM 1320 CG LEU A 85 -0.779 6.164 -2.623 1.00 0.00 C ATOM 1321 CD1 LEU A 85 -0.272 5.301 -3.757 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -0.385 7.617 -2.836 1.00 0.00 C ATOM 0 H LEU A 85 -3.205 8.265 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.523 5.843 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.636 6.752 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.516 5.039 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.319 5.820 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.810 5.408 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.520 4.258 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.740 5.614 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.698 7.690 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.854 7.992 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.716 8.212 -1.985 1.00 0.00 H new ATOM 1334 N MET A 86 -5.337 5.905 -2.864 1.00 0.00 N ATOM 1335 CA MET A 86 -6.601 5.168 -2.764 1.00 0.00 C ATOM 1336 C MET A 86 -7.303 5.147 -4.110 1.00 0.00 C ATOM 1337 O MET A 86 -7.698 4.092 -4.602 1.00 0.00 O ATOM 1338 CB MET A 86 -7.547 5.755 -1.714 1.00 0.00 C ATOM 1339 CG MET A 86 -6.885 6.104 -0.397 1.00 0.00 C ATOM 1340 SD MET A 86 -8.060 6.802 0.779 1.00 0.00 S ATOM 1341 CE MET A 86 -6.981 7.474 2.041 1.00 0.00 C ATOM 0 H MET A 86 -5.261 6.733 -2.273 1.00 0.00 H new ATOM 0 HA MET A 86 -6.347 4.155 -2.452 1.00 0.00 H new ATOM 0 HB2 MET A 86 -8.010 6.653 -2.122 1.00 0.00 H new ATOM 0 HB3 MET A 86 -8.348 5.041 -1.525 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.431 5.210 0.030 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.080 6.817 -0.573 1.00 0.00 H new ATOM 0 HE1 MET A 86 -7.511 8.246 2.599 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.677 6.678 2.721 1.00 0.00 H new ATOM 0 HE3 MET A 86 -6.098 7.907 1.572 1.00 0.00 H new ATOM 1351 N ALA A 87 -7.449 6.322 -4.705 1.00 0.00 N ATOM 1352 CA ALA A 87 -8.096 6.440 -6.000 1.00 0.00 C ATOM 1353 C ALA A 87 -7.377 5.596 -7.050 1.00 0.00 C ATOM 1354 O ALA A 87 -7.978 5.178 -8.039 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.157 7.896 -6.433 1.00 0.00 C ATOM 0 H ALA A 87 -7.128 7.206 -4.310 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.115 6.064 -5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -8.645 7.966 -7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.724 8.470 -5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.146 8.297 -6.504 1.00 0.00 H new ATOM 1361 N ALA A 88 -6.086 5.347 -6.828 1.00 0.00 N ATOM 1362 CA ALA A 88 -5.292 4.559 -7.764 1.00 0.00 C ATOM 1363 C ALA A 88 -5.496 3.067 -7.532 1.00 0.00 C ATOM 1364 O ALA A 88 -6.034 2.364 -8.389 1.00 0.00 O ATOM 1365 CB ALA A 88 -3.819 4.919 -7.640 1.00 0.00 C ATOM 0 H ALA A 88 -5.572 5.679 -6.012 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.627 4.793 -8.775 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.238 4.323 -8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.683 5.978 -7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.479 4.714 -6.625 1.00 0.00 H new ATOM 1371 N GLY A 89 -5.064 2.586 -6.370 1.00 0.00 N ATOM 1372 CA GLY A 89 -5.218 1.180 -6.051 1.00 0.00 C ATOM 1373 C GLY A 89 -6.651 0.719 -6.231 1.00 0.00 C ATOM 1374 O GLY A 89 -6.912 -0.416 -6.628 1.00 0.00 O ATOM 0 H GLY A 89 -4.611 3.144 -5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.562 0.588 -6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.905 1.004 -5.022 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.574 1.625 -5.935 1.00 0.00 N ATOM 1379 CA ASP A 90 -9.004 1.360 -6.041 1.00 0.00 C ATOM 1380 C ASP A 90 -9.548 1.834 -7.381 1.00 0.00 C ATOM 1381 O ASP A 90 -10.643 2.383 -7.458 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.760 2.025 -4.890 1.00 0.00 C ATOM 1383 CG ASP A 90 -11.251 1.757 -4.940 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -11.654 0.751 -5.559 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -12.016 2.553 -4.358 1.00 0.00 O ATOM 0 H ASP A 90 -7.352 2.567 -5.614 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.154 0.282 -5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.361 1.664 -3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.587 3.101 -4.920 1.00 0.00 H new ATOM 1390 N LYS A 91 -8.746 1.642 -8.423 1.00 0.00 N ATOM 1391 CA LYS A 91 -9.084 2.038 -9.792 1.00 0.00 C ATOM 1392 C LYS A 91 -10.584 1.976 -10.087 1.00 0.00 C ATOM 1393 O LYS A 91 -11.100 2.777 -10.868 1.00 0.00 O ATOM 1394 CB LYS A 91 -8.340 1.108 -10.742 1.00 0.00 C ATOM 1395 CG LYS A 91 -8.392 1.523 -12.192 1.00 0.00 C ATOM 1396 CD LYS A 91 -9.769 1.314 -12.794 1.00 0.00 C ATOM 1397 CE LYS A 91 -9.693 0.607 -14.137 1.00 0.00 C ATOM 1398 NZ LYS A 91 -9.109 -0.757 -14.015 1.00 0.00 N ATOM 0 H LYS A 91 -7.830 1.201 -8.343 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.789 3.079 -9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.297 1.050 -10.431 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.757 0.105 -10.649 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.114 2.573 -12.279 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.658 0.951 -12.759 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.381 0.728 -12.108 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.263 2.278 -12.917 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.692 0.537 -14.567 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.090 1.200 -14.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.470 -1.359 -14.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.073 -0.698 -14.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.375 -1.168 -13.097 1.00 0.00 H new ATOM 1412 N ASP A 92 -11.278 1.035 -9.470 1.00 0.00 N ATOM 1413 CA ASP A 92 -12.717 0.890 -9.683 1.00 0.00 C ATOM 1414 C ASP A 92 -13.455 2.194 -9.363 1.00 0.00 C ATOM 1415 O ASP A 92 -14.584 2.401 -9.812 1.00 0.00 O ATOM 1416 CB ASP A 92 -13.270 -0.248 -8.824 1.00 0.00 C ATOM 1417 CG ASP A 92 -14.734 -0.527 -9.109 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -15.596 0.115 -8.474 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -15.016 -1.388 -9.969 1.00 0.00 O ATOM 0 H ASP A 92 -10.875 0.360 -8.819 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.879 0.653 -10.735 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.688 -1.152 -9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.149 0.004 -7.770 1.00 0.00 H new ATOM 1424 N GLY A 93 -12.812 3.067 -8.590 1.00 0.00 N ATOM 1425 CA GLY A 93 -13.408 4.346 -8.246 1.00 0.00 C ATOM 1426 C GLY A 93 -14.362 4.279 -7.065 1.00 0.00 C ATOM 1427 O GLY A 93 -15.479 4.790 -7.141 1.00 0.00 O ATOM 0 H GLY A 93 -11.885 2.909 -8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.614 5.058 -8.020 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.944 4.732 -9.113 1.00 0.00 H new ATOM 1431 N ASP A 94 -13.931 3.656 -5.973 1.00 0.00 N ATOM 1432 CA ASP A 94 -14.775 3.552 -4.784 1.00 0.00 C ATOM 1433 C ASP A 94 -14.197 4.341 -3.608 1.00 0.00 C ATOM 1434 O ASP A 94 -14.865 4.516 -2.589 1.00 0.00 O ATOM 1435 CB ASP A 94 -14.953 2.086 -4.383 1.00 0.00 C ATOM 1436 CG ASP A 94 -15.581 1.256 -5.485 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -16.822 1.280 -5.612 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -14.830 0.581 -6.220 1.00 0.00 O ATOM 0 H ASP A 94 -13.013 3.220 -5.885 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.745 3.981 -5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.983 1.663 -4.122 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -15.576 2.030 -3.490 1.00 0.00 H new ATOM 1443 N GLY A 95 -12.955 4.815 -3.743 1.00 0.00 N ATOM 1444 CA GLY A 95 -12.333 5.579 -2.673 1.00 0.00 C ATOM 1445 C GLY A 95 -11.618 4.712 -1.649 1.00 0.00 C ATOM 1446 O GLY A 95 -10.692 5.164 -0.976 1.00 0.00 O ATOM 0 H GLY A 95 -12.373 4.683 -4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.620 6.281 -3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.096 6.171 -2.168 1.00 0.00 H new ATOM 1450 N LYS A 96 -12.052 3.463 -1.536 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.475 2.517 -0.585 1.00 0.00 C ATOM 1452 C LYS A 96 -10.798 1.365 -1.321 1.00 0.00 C ATOM 1453 O LYS A 96 -11.269 0.931 -2.372 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.572 1.970 0.339 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.531 3.040 0.837 1.00 0.00 C ATOM 1456 CD LYS A 96 -14.569 2.463 1.784 1.00 0.00 C ATOM 1457 CE LYS A 96 -15.590 3.512 2.191 1.00 0.00 C ATOM 1458 NZ LYS A 96 -16.578 2.975 3.170 1.00 0.00 N ATOM 0 H LYS A 96 -12.811 3.077 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.727 3.038 0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.137 1.205 -0.194 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.106 1.483 1.196 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -12.970 3.824 1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.031 3.505 -0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -15.076 1.626 1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -14.075 2.070 2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -15.076 4.369 2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -16.115 3.871 1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -17.542 3.196 2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.467 1.944 3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.416 3.410 4.101 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.694 0.873 -0.768 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.970 -0.230 -1.386 1.00 0.00 C ATOM 1474 C ILE A 97 -9.204 -1.537 -0.636 1.00 0.00 C ATOM 1475 O ILE A 97 -8.759 -1.704 0.500 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.450 0.047 -1.445 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -7.163 1.298 -2.274 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.701 -1.148 -2.025 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.685 1.553 -2.479 1.00 0.00 C ATOM 0 H ILE A 97 -9.284 1.218 0.100 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.355 -0.322 -2.402 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.100 0.213 -0.426 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.646 1.200 -3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.609 2.162 -1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.634 -0.928 -2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.873 -2.024 -1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.060 -1.347 -3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.551 2.456 -3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.200 1.682 -1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.238 0.705 -2.998 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.906 -2.460 -1.281 1.00 0.00 N ATOM 1492 CA GLY A 98 -10.163 -3.751 -0.681 1.00 0.00 C ATOM 1493 C GLY A 98 -9.125 -4.775 -1.092 1.00 0.00 C ATOM 1494 O GLY A 98 -8.036 -4.415 -1.538 1.00 0.00 O ATOM 0 H GLY A 98 -10.303 -2.335 -2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.168 -3.653 0.405 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.154 -4.098 -0.975 1.00 0.00 H new ATOM 1498 N VAL A 99 -9.453 -6.049 -0.941 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.531 -7.116 -1.308 1.00 0.00 C ATOM 1500 C VAL A 99 -8.332 -7.180 -2.824 1.00 0.00 C ATOM 1501 O VAL A 99 -7.226 -7.433 -3.304 1.00 0.00 O ATOM 1502 CB VAL A 99 -9.018 -8.486 -0.789 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -10.228 -8.978 -1.570 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -7.889 -9.504 -0.841 1.00 0.00 C ATOM 0 H VAL A 99 -10.347 -6.370 -0.569 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.575 -6.886 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 99 -9.327 -8.362 0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -10.545 -9.945 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -11.043 -8.261 -1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.964 -9.081 -2.623 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.248 -10.465 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.547 -9.616 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.062 -9.162 -0.219 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.408 -6.948 -3.573 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.346 -6.983 -5.035 1.00 0.00 C ATOM 1516 C GLU A 100 -8.616 -5.758 -5.560 1.00 0.00 C ATOM 1517 O GLU A 100 -7.661 -5.862 -6.331 1.00 0.00 O ATOM 1518 CB GLU A 100 -10.741 -7.029 -5.676 1.00 0.00 C ATOM 1519 CG GLU A 100 -11.865 -7.387 -4.732 1.00 0.00 C ATOM 1520 CD GLU A 100 -11.686 -8.748 -4.090 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -10.822 -9.517 -4.561 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -12.411 -9.045 -3.117 1.00 0.00 O ATOM 0 H GLU A 100 -10.331 -6.734 -3.195 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.811 -7.894 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.954 -6.056 -6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -10.726 -7.753 -6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -11.932 -6.629 -3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.809 -7.369 -5.276 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.089 -4.595 -5.131 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.512 -3.326 -5.547 1.00 0.00 C ATOM 1531 C GLU A 101 -7.014 -3.278 -5.268 1.00 0.00 C ATOM 1532 O GLU A 101 -6.243 -2.737 -6.063 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.212 -2.181 -4.829 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.590 -1.870 -5.383 1.00 0.00 C ATOM 1535 CD GLU A 101 -11.463 -3.102 -5.522 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -11.386 -3.768 -6.577 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -12.224 -3.401 -4.579 1.00 0.00 O ATOM 0 H GLU A 101 -9.877 -4.506 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.656 -3.225 -6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.302 -2.427 -3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.592 -1.287 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.085 -1.152 -4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.485 -1.394 -6.358 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.603 -3.847 -4.140 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.193 -3.868 -3.771 1.00 0.00 C ATOM 1546 C PHE A 102 -4.362 -4.426 -4.922 1.00 0.00 C ATOM 1547 O PHE A 102 -3.173 -4.131 -5.047 1.00 0.00 O ATOM 1548 CB PHE A 102 -4.981 -4.707 -2.511 1.00 0.00 C ATOM 1549 CG PHE A 102 -3.858 -4.223 -1.644 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -4.036 -3.161 -0.771 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -2.628 -4.840 -1.696 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -2.999 -2.727 0.032 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -1.583 -4.415 -0.897 1.00 0.00 C ATOM 1554 CZ PHE A 102 -1.769 -3.354 -0.031 1.00 0.00 C ATOM 0 H PHE A 102 -7.224 -4.298 -3.468 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.871 -2.848 -3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.902 -4.710 -1.928 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.784 -5.739 -2.802 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -4.995 -2.668 -0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.477 -5.669 -2.372 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.149 -1.899 0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.625 -4.910 -0.949 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.956 -3.016 0.594 1.00 0.00 H new ATOM 1564 N SER A 103 -5.001 -5.241 -5.759 1.00 0.00 N ATOM 1565 CA SER A 103 -4.335 -5.828 -6.912 1.00 0.00 C ATOM 1566 C SER A 103 -4.116 -4.774 -7.990 1.00 0.00 C ATOM 1567 O SER A 103 -3.029 -4.676 -8.561 1.00 0.00 O ATOM 1568 CB SER A 103 -5.162 -6.986 -7.475 1.00 0.00 C ATOM 1569 OG SER A 103 -5.332 -8.010 -6.511 1.00 0.00 O ATOM 0 H SER A 103 -5.980 -5.508 -5.657 1.00 0.00 H new ATOM 0 HA SER A 103 -3.367 -6.212 -6.591 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.137 -6.618 -7.795 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.669 -7.393 -8.358 1.00 0.00 H new ATOM 0 HG SER A 103 -6.287 -8.137 -6.334 1.00 0.00 H new ATOM 1575 N THR A 104 -5.151 -3.979 -8.263 1.00 0.00 N ATOM 1576 CA THR A 104 -5.047 -2.935 -9.272 1.00 0.00 C ATOM 1577 C THR A 104 -3.912 -1.981 -8.934 1.00 0.00 C ATOM 1578 O THR A 104 -3.203 -1.502 -9.820 1.00 0.00 O ATOM 1579 CB THR A 104 -6.356 -2.129 -9.430 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.435 -3.009 -9.770 1.00 0.00 O ATOM 1581 CG2 THR A 104 -6.190 -1.076 -10.518 1.00 0.00 C ATOM 0 H THR A 104 -6.060 -4.040 -7.803 1.00 0.00 H new ATOM 0 HA THR A 104 -4.847 -3.437 -10.218 1.00 0.00 H new ATOM 0 HB THR A 104 -6.582 -1.635 -8.485 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.261 -2.491 -9.867 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.117 -0.512 -10.623 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.381 -0.397 -10.247 1.00 0.00 H new ATOM 0 HG23 THR A 104 -5.953 -1.564 -11.463 1.00 0.00 H new ATOM 1589 N LEU A 105 -3.738 -1.714 -7.644 1.00 0.00 N ATOM 1590 CA LEU A 105 -2.680 -0.824 -7.191 1.00 0.00 C ATOM 1591 C LEU A 105 -1.329 -1.306 -7.699 1.00 0.00 C ATOM 1592 O LEU A 105 -0.465 -0.506 -8.056 1.00 0.00 O ATOM 1593 CB LEU A 105 -2.671 -0.743 -5.668 1.00 0.00 C ATOM 1594 CG LEU A 105 -2.230 0.603 -5.098 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -2.181 0.551 -3.583 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -0.892 1.004 -5.683 1.00 0.00 C ATOM 0 H LEU A 105 -4.315 -2.101 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.869 0.171 -7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.673 -0.966 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.010 -1.519 -5.281 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.961 1.362 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.865 1.520 -3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.171 0.311 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.472 -0.215 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.587 1.965 -5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.146 0.249 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.979 1.086 -6.766 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.155 -2.624 -7.727 1.00 0.00 N ATOM 1609 CA VAL A 106 0.083 -3.218 -8.204 1.00 0.00 C ATOM 1610 C VAL A 106 0.289 -2.900 -9.680 1.00 0.00 C ATOM 1611 O VAL A 106 1.411 -2.660 -10.126 1.00 0.00 O ATOM 1612 CB VAL A 106 0.088 -4.745 -8.008 1.00 0.00 C ATOM 1613 CG1 VAL A 106 1.429 -5.333 -8.421 1.00 0.00 C ATOM 1614 CG2 VAL A 106 -0.239 -5.098 -6.565 1.00 0.00 C ATOM 0 H VAL A 106 -1.858 -3.299 -7.424 1.00 0.00 H new ATOM 0 HA VAL A 106 0.897 -2.791 -7.618 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.682 -5.178 -8.646 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.413 -6.413 -8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.615 -5.111 -9.472 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.221 -4.896 -7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.231 -6.181 -6.445 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.505 -4.654 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.226 -4.712 -6.311 1.00 0.00 H new ATOM 1624 N ALA A 107 -0.809 -2.898 -10.431 1.00 0.00 N ATOM 1625 CA ALA A 107 -0.760 -2.597 -11.855 1.00 0.00 C ATOM 1626 C ALA A 107 -0.687 -1.092 -12.077 1.00 0.00 C ATOM 1627 O ALA A 107 -0.145 -0.624 -13.078 1.00 0.00 O ATOM 1628 CB ALA A 107 -1.975 -3.180 -12.563 1.00 0.00 C ATOM 0 H ALA A 107 -1.743 -3.102 -10.075 1.00 0.00 H new ATOM 0 HA ALA A 107 0.137 -3.053 -12.275 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.923 -2.946 -13.626 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.990 -4.262 -12.429 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.883 -2.750 -12.141 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.239 -0.339 -11.129 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.234 1.117 -11.206 1.00 0.00 C ATOM 1636 C GLU A 108 0.189 1.651 -11.230 1.00 0.00 C ATOM 1637 O GLU A 108 0.660 2.159 -12.247 1.00 0.00 O ATOM 1638 CB GLU A 108 -1.976 1.710 -10.013 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.478 1.520 -10.098 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.157 2.608 -10.905 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -4.155 2.514 -12.151 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -4.690 3.556 -10.293 1.00 0.00 O ATOM 0 H GLU A 108 -1.696 -0.715 -10.298 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.736 1.408 -12.129 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.608 1.248 -9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.753 2.775 -9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.693 0.551 -10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.896 1.504 -9.092 1.00 0.00 H new ATOM 1649 N SER A 109 0.865 1.528 -10.095 1.00 0.00 N ATOM 1650 CA SER A 109 2.238 1.994 -9.965 1.00 0.00 C ATOM 1651 C SER A 109 3.127 1.377 -11.038 1.00 0.00 C ATOM 1652 O SER A 109 3.720 0.311 -10.773 1.00 0.00 O ATOM 1653 CB SER A 109 2.778 1.653 -8.578 1.00 0.00 C ATOM 1654 OG SER A 109 4.189 1.712 -8.562 1.00 0.00 O ATOM 1655 OXT SER A 109 3.226 1.967 -12.134 1.00 0.00 O ATOM 0 H SER A 109 0.482 1.107 -9.248 1.00 0.00 H new ATOM 0 HA SER A 109 2.245 3.076 -10.096 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.372 2.348 -7.843 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.448 0.655 -8.289 1.00 0.00 H new ATOM 0 HG SER A 109 4.488 2.158 -7.742 1.00 0.00 H new TER 1661 SER A 109