USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 1017 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 59 HIS : no HD1:sc= -0.883 X(o=-0.82,f=-1.2) USER MOD Set 1.2: A 61 THR OG1 : rot -179:sc= 0.0606 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 26:sc= 0.0492 USER MOD Single : A 12 LYS NZ :NH3+ 156:sc= -0.239 (180deg=-0.956) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -3.71! K(o=-3.7!,f=-2.6) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 26 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.53) USER MOD Single : A 31 GLN : amide:sc= -0.0718 X(o=-0.072,f=0) USER MOD Single : A 33 SER OG : rot -150:sc= -0.474 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 130:sc= 0.808 USER MOD Single : A 53 LYS NZ :NH3+ 153:sc= 0.744! (180deg=-1.1) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.792 USER MOD Single : A 57 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.023) USER MOD Single : A 64 ASN : amide:sc= -1.35 K(o=-1.3,f=-6.6!) USER MOD Single : A 66 ASN : amide:sc= -0.257 K(o=-0.26,f=-2.7!) USER MOD Single : A 68 THR OG1 : rot -150:sc= -1.38 USER MOD Single : A 70 THR OG1 : rot -55:sc= 1.06 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 89 SER OG : rot -104:sc= -1.81! USER MOD Single : A 95 LYS NZ :NH3+ 159:sc= 0.0293 (180deg=-1.17!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-1.8) USER MOD Single : A 106 ASN : amide:sc= -0.783 K(o=-0.78,f=-0.092) USER MOD Single : A 109 GLN : amide:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 111 SER OG : rot 48:sc= 0.609 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 123 ASN : amide:sc= -0.399 K(o=-0.4,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.758 26.701 5.035 1.00 0.00 N ATOM 2 CA MET A 1 15.299 26.618 4.757 1.00 0.00 C ATOM 3 C MET A 1 15.030 26.408 3.267 1.00 0.00 C ATOM 4 O MET A 1 15.111 27.347 2.473 1.00 0.00 O ATOM 5 CB MET A 1 14.630 27.911 5.238 1.00 0.00 C ATOM 6 CG MET A 1 14.279 27.910 6.717 1.00 0.00 C ATOM 7 SD MET A 1 13.753 29.531 7.307 1.00 0.00 S ATOM 8 CE MET A 1 12.861 29.080 8.792 1.00 0.00 C ATOM 0 H1 MET A 1 16.910 26.844 6.054 1.00 0.00 H new ATOM 0 H2 MET A 1 17.219 25.818 4.737 1.00 0.00 H new ATOM 0 H3 MET A 1 17.167 27.500 4.509 1.00 0.00 H new ATOM 0 HA MET A 1 14.885 25.762 5.290 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.295 28.750 5.033 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.721 28.075 4.659 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.484 27.186 6.897 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.145 27.582 7.292 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.474 29.979 9.271 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.032 28.421 8.533 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.533 28.564 9.478 1.00 0.00 H new ATOM 20 N VAL A 2 14.710 25.169 2.898 1.00 0.00 N ATOM 21 CA VAL A 2 14.427 24.826 1.507 1.00 0.00 C ATOM 22 C VAL A 2 13.289 23.806 1.416 1.00 0.00 C ATOM 23 O VAL A 2 13.516 22.624 1.165 1.00 0.00 O ATOM 24 CB VAL A 2 15.680 24.264 0.795 1.00 0.00 C ATOM 25 CG1 VAL A 2 16.701 25.368 0.563 1.00 0.00 C ATOM 26 CG2 VAL A 2 16.294 23.120 1.593 1.00 0.00 C ATOM 0 H VAL A 2 14.640 24.384 3.546 1.00 0.00 H new ATOM 0 HA VAL A 2 14.125 25.746 1.006 1.00 0.00 H new ATOM 0 HB VAL A 2 15.373 23.870 -0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 2 17.576 24.955 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 2 16.260 26.147 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 2 17.000 25.795 1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 2 17.173 22.743 1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 2 16.585 23.480 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 2 15.564 22.318 1.700 1.00 0.00 H new ATOM 36 N ALA A 3 12.059 24.280 1.632 1.00 0.00 N ATOM 37 CA ALA A 3 10.875 23.421 1.583 1.00 0.00 C ATOM 38 C ALA A 3 10.941 22.321 2.646 1.00 0.00 C ATOM 39 O ALA A 3 11.816 22.333 3.513 1.00 0.00 O ATOM 40 CB ALA A 3 10.711 22.819 0.193 1.00 0.00 C ATOM 0 H ALA A 3 11.858 25.257 1.843 1.00 0.00 H new ATOM 0 HA ALA A 3 10.003 24.038 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.826 22.183 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.599 23.619 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.591 22.224 -0.052 1.00 0.00 H new ATOM 46 N THR A 4 10.004 21.373 2.577 1.00 0.00 N ATOM 47 CA THR A 4 9.953 20.271 3.533 1.00 0.00 C ATOM 48 C THR A 4 9.307 19.038 2.908 1.00 0.00 C ATOM 49 O THR A 4 8.484 19.154 1.999 1.00 0.00 O ATOM 50 CB THR A 4 9.171 20.680 4.789 1.00 0.00 C ATOM 51 OG1 THR A 4 8.185 21.649 4.478 1.00 0.00 O ATOM 52 CG2 THR A 4 10.048 21.253 5.884 1.00 0.00 C ATOM 0 H THR A 4 9.271 21.349 1.868 1.00 0.00 H new ATOM 0 HA THR A 4 10.978 20.028 3.814 1.00 0.00 H new ATOM 0 HB THR A 4 8.717 19.759 5.154 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.698 21.893 5.293 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.431 21.521 6.742 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.786 20.509 6.186 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.559 22.142 5.513 1.00 0.00 H new ATOM 60 N VAL A 5 9.680 17.861 3.404 1.00 0.00 N ATOM 61 CA VAL A 5 9.129 16.607 2.897 1.00 0.00 C ATOM 62 C VAL A 5 8.573 15.764 4.043 1.00 0.00 C ATOM 63 O VAL A 5 9.302 15.381 4.958 1.00 0.00 O ATOM 64 CB VAL A 5 10.192 15.790 2.129 1.00 0.00 C ATOM 65 CG1 VAL A 5 9.561 14.563 1.481 1.00 0.00 C ATOM 66 CG2 VAL A 5 10.888 16.653 1.085 1.00 0.00 C ATOM 0 H VAL A 5 10.361 17.749 4.155 1.00 0.00 H new ATOM 0 HA VAL A 5 8.324 16.862 2.208 1.00 0.00 H new ATOM 0 HB VAL A 5 10.943 15.452 2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.326 14.001 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 5 9.119 13.931 2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.786 14.878 0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.632 16.056 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 5 10.152 17.028 0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.379 17.493 1.576 1.00 0.00 H new ATOM 76 N LYS A 6 7.272 15.478 3.976 1.00 0.00 N ATOM 77 CA LYS A 6 6.599 14.679 4.999 1.00 0.00 C ATOM 78 C LYS A 6 5.641 13.683 4.350 1.00 0.00 C ATOM 79 O LYS A 6 4.641 14.078 3.746 1.00 0.00 O ATOM 80 CB LYS A 6 5.832 15.583 5.971 1.00 0.00 C ATOM 81 CG LYS A 6 6.638 16.772 6.472 1.00 0.00 C ATOM 82 CD LYS A 6 5.884 17.551 7.542 1.00 0.00 C ATOM 83 CE LYS A 6 5.646 16.711 8.788 1.00 0.00 C ATOM 84 NZ LYS A 6 5.095 17.519 9.911 1.00 0.00 N ATOM 0 H LYS A 6 6.662 15.790 3.220 1.00 0.00 H new ATOM 0 HA LYS A 6 7.357 14.129 5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.931 15.949 5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.509 14.989 6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.588 16.423 6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.871 17.432 5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.449 18.444 7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.927 17.887 7.141 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.956 15.901 8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.584 16.251 9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.948 16.907 10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.764 18.277 10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.187 17.938 9.625 1.00 0.00 H new ATOM 98 N ARG A 7 5.956 12.393 4.466 1.00 0.00 N ATOM 99 CA ARG A 7 5.125 11.346 3.874 1.00 0.00 C ATOM 100 C ARG A 7 4.973 10.145 4.806 1.00 0.00 C ATOM 101 O ARG A 7 5.688 10.018 5.802 1.00 0.00 O ATOM 102 CB ARG A 7 5.728 10.886 2.549 1.00 0.00 C ATOM 103 CG ARG A 7 5.744 11.959 1.473 1.00 0.00 C ATOM 104 CD ARG A 7 6.671 11.586 0.326 1.00 0.00 C ATOM 105 NE ARG A 7 6.470 10.210 -0.132 1.00 0.00 N ATOM 106 CZ ARG A 7 6.909 9.747 -1.301 1.00 0.00 C ATOM 107 NH1 ARG A 7 7.526 10.557 -2.152 1.00 0.00 N ATOM 108 NH2 ARG A 7 6.724 8.471 -1.624 1.00 0.00 N ATOM 0 H ARG A 7 6.778 12.049 4.963 1.00 0.00 H new ATOM 0 HA ARG A 7 4.136 11.771 3.706 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.749 10.546 2.724 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.165 10.027 2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.734 12.108 1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.064 12.906 1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.507 12.270 -0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.706 11.712 0.644 1.00 0.00 H new ATOM 0 HE ARG A 7 5.965 9.569 0.480 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.666 11.538 -1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.861 10.198 -3.046 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.245 7.845 -0.976 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.061 8.118 -2.520 1.00 0.00 H new ATOM 122 N THR A 8 4.036 9.261 4.462 1.00 0.00 N ATOM 123 CA THR A 8 3.776 8.054 5.245 1.00 0.00 C ATOM 124 C THR A 8 2.882 7.088 4.467 1.00 0.00 C ATOM 125 O THR A 8 1.791 7.456 4.029 1.00 0.00 O ATOM 126 CB THR A 8 3.129 8.418 6.590 1.00 0.00 C ATOM 127 OG1 THR A 8 2.913 7.259 7.379 1.00 0.00 O ATOM 128 CG2 THR A 8 1.801 9.133 6.447 1.00 0.00 C ATOM 0 H THR A 8 3.441 9.360 3.640 1.00 0.00 H new ATOM 0 HA THR A 8 4.728 7.559 5.439 1.00 0.00 H new ATOM 0 HB THR A 8 3.835 9.095 7.071 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.559 6.567 7.127 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.401 9.360 7.436 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.945 10.060 5.893 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.100 8.494 5.910 1.00 0.00 H new ATOM 136 N ILE A 9 3.351 5.851 4.302 1.00 0.00 N ATOM 137 CA ILE A 9 2.594 4.834 3.582 1.00 0.00 C ATOM 138 C ILE A 9 2.051 3.776 4.540 1.00 0.00 C ATOM 139 O ILE A 9 2.812 3.092 5.225 1.00 0.00 O ATOM 140 CB ILE A 9 3.447 4.157 2.485 1.00 0.00 C ATOM 141 CG1 ILE A 9 2.579 3.214 1.644 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.626 3.405 3.091 1.00 0.00 C ATOM 143 CD1 ILE A 9 3.195 2.850 0.312 1.00 0.00 C ATOM 0 H ILE A 9 4.252 5.532 4.658 1.00 0.00 H new ATOM 0 HA ILE A 9 1.757 5.341 3.101 1.00 0.00 H new ATOM 0 HB ILE A 9 3.847 4.936 1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.394 2.301 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.610 3.683 1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.208 2.939 2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.257 4.102 3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.257 2.636 3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.525 2.181 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.354 3.755 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.150 2.352 0.477 1.00 0.00 H new ATOM 155 N ARG A 10 0.728 3.654 4.586 1.00 0.00 N ATOM 156 CA ARG A 10 0.079 2.687 5.463 1.00 0.00 C ATOM 157 C ARG A 10 -0.811 1.739 4.661 1.00 0.00 C ATOM 158 O ARG A 10 -1.835 2.150 4.112 1.00 0.00 O ATOM 159 CB ARG A 10 -0.746 3.411 6.529 1.00 0.00 C ATOM 160 CG ARG A 10 0.063 4.393 7.365 1.00 0.00 C ATOM 161 CD ARG A 10 -0.833 5.358 8.126 1.00 0.00 C ATOM 162 NE ARG A 10 -1.844 4.662 8.924 1.00 0.00 N ATOM 163 CZ ARG A 10 -1.619 4.155 10.140 1.00 0.00 C ATOM 164 NH1 ARG A 10 -0.424 4.274 10.712 1.00 0.00 N ATOM 165 NH2 ARG A 10 -2.595 3.530 10.788 1.00 0.00 N ATOM 0 H ARG A 10 0.085 4.213 4.026 1.00 0.00 H new ATOM 0 HA ARG A 10 0.853 2.097 5.954 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.562 3.947 6.043 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.199 2.672 7.190 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.686 3.843 8.070 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.735 4.955 6.717 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.222 5.980 8.780 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.326 6.026 7.420 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.778 4.558 8.527 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.330 4.755 10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.262 3.884 11.640 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.515 3.437 10.358 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.425 3.143 11.716 1.00 0.00 H new ATOM 179 N ILE A 11 -0.411 0.468 4.596 1.00 0.00 N ATOM 180 CA ILE A 11 -1.170 -0.543 3.863 1.00 0.00 C ATOM 181 C ILE A 11 -1.887 -1.492 4.822 1.00 0.00 C ATOM 182 O ILE A 11 -1.315 -1.918 5.827 1.00 0.00 O ATOM 183 CB ILE A 11 -0.262 -1.364 2.914 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.810 -2.120 3.708 1.00 0.00 C ATOM 185 CG2 ILE A 11 0.383 -0.455 1.874 1.00 0.00 C ATOM 186 CD1 ILE A 11 1.584 -3.123 2.880 1.00 0.00 C ATOM 0 H ILE A 11 0.435 0.115 5.043 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.908 -0.010 3.264 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.882 -2.096 2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.507 -1.400 4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.335 -2.639 4.541 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.018 -1.048 1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.394 0.033 1.286 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.987 0.301 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.324 -3.619 3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.898 -3.865 2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.088 -2.608 2.062 1.00 0.00 H new ATOM 198 N LYS A 12 -3.143 -1.813 4.511 1.00 0.00 N ATOM 199 CA LYS A 12 -3.937 -2.708 5.354 1.00 0.00 C ATOM 200 C LYS A 12 -4.485 -3.884 4.546 1.00 0.00 C ATOM 201 O LYS A 12 -5.095 -3.695 3.491 1.00 0.00 O ATOM 202 CB LYS A 12 -5.084 -1.935 6.010 1.00 0.00 C ATOM 203 CG LYS A 12 -4.681 -1.211 7.286 1.00 0.00 C ATOM 204 CD LYS A 12 -3.965 0.101 6.985 1.00 0.00 C ATOM 205 CE LYS A 12 -4.868 1.304 7.222 1.00 0.00 C ATOM 206 NZ LYS A 12 -5.393 1.345 8.616 1.00 0.00 N ATOM 0 H LYS A 12 -3.631 -1.468 3.685 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.286 -3.107 6.132 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.475 -1.208 5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.895 -2.627 6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.568 -1.012 7.888 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.030 -1.853 7.879 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.077 0.183 7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.624 0.100 5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.313 2.219 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.703 1.274 6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.644 2.323 8.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.238 0.742 8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.664 0.998 9.272 1.00 0.00 H new ATOM 220 N THR A 13 -4.257 -5.098 5.049 1.00 0.00 N ATOM 221 CA THR A 13 -4.717 -6.314 4.381 1.00 0.00 C ATOM 222 C THR A 13 -5.446 -7.233 5.364 1.00 0.00 C ATOM 223 O THR A 13 -4.897 -7.606 6.401 1.00 0.00 O ATOM 224 CB THR A 13 -3.527 -7.051 3.755 1.00 0.00 C ATOM 225 OG1 THR A 13 -2.832 -6.206 2.853 1.00 0.00 O ATOM 226 CG2 THR A 13 -3.920 -8.303 3.000 1.00 0.00 C ATOM 0 H THR A 13 -3.754 -5.264 5.921 1.00 0.00 H new ATOM 0 HA THR A 13 -5.416 -6.030 3.594 1.00 0.00 H new ATOM 0 HB THR A 13 -2.896 -7.340 4.596 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.075 -6.693 2.465 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.028 -8.772 2.584 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.413 -8.998 3.680 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.603 -8.041 2.192 1.00 0.00 H new ATOM 234 N GLN A 14 -6.685 -7.593 5.029 1.00 0.00 N ATOM 235 CA GLN A 14 -7.487 -8.467 5.882 1.00 0.00 C ATOM 236 C GLN A 14 -8.268 -9.484 5.052 1.00 0.00 C ATOM 237 O GLN A 14 -8.736 -9.172 3.960 1.00 0.00 O ATOM 238 CB GLN A 14 -8.457 -7.634 6.727 1.00 0.00 C ATOM 239 CG GLN A 14 -9.287 -8.457 7.703 1.00 0.00 C ATOM 240 CD GLN A 14 -10.780 -8.259 7.517 1.00 0.00 C ATOM 241 OE1 GLN A 14 -11.388 -7.410 8.166 1.00 0.00 O ATOM 242 NE2 GLN A 14 -11.376 -9.044 6.627 1.00 0.00 N ATOM 0 H GLN A 14 -7.154 -7.293 4.174 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.808 -9.010 6.539 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.890 -6.889 7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.129 -7.091 6.062 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.047 -9.513 7.577 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.014 -8.187 8.723 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.832 -9.735 6.111 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.378 -8.956 6.459 1.00 0.00 H new ATOM 251 N GLN A 15 -8.407 -10.704 5.575 1.00 0.00 N ATOM 252 CA GLN A 15 -9.137 -11.759 4.868 1.00 0.00 C ATOM 253 C GLN A 15 -10.032 -12.551 5.822 1.00 0.00 C ATOM 254 O GLN A 15 -9.669 -12.784 6.973 1.00 0.00 O ATOM 255 CB GLN A 15 -8.156 -12.704 4.172 1.00 0.00 C ATOM 256 CG GLN A 15 -8.816 -13.937 3.561 1.00 0.00 C ATOM 257 CD GLN A 15 -8.601 -14.038 2.063 1.00 0.00 C ATOM 258 OE1 GLN A 15 -9.554 -14.201 1.302 1.00 0.00 O ATOM 259 NE2 GLN A 15 -7.347 -13.943 1.632 1.00 0.00 N ATOM 0 H GLN A 15 -8.027 -10.985 6.479 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.772 -11.283 4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.634 -12.157 3.387 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.403 -13.026 4.892 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.419 -14.831 4.041 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.886 -13.911 3.769 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.587 -13.808 2.299 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.145 -14.005 0.634 1.00 0.00 H new ATOM 268 N HIS A 16 -11.201 -12.972 5.329 1.00 0.00 N ATOM 269 CA HIS A 16 -12.134 -13.750 6.142 1.00 0.00 C ATOM 270 C HIS A 16 -12.786 -14.860 5.319 1.00 0.00 C ATOM 271 O HIS A 16 -13.475 -14.592 4.339 1.00 0.00 O ATOM 272 CB HIS A 16 -13.212 -12.834 6.725 1.00 0.00 C ATOM 273 CG HIS A 16 -14.188 -13.543 7.614 1.00 0.00 C ATOM 274 ND1 HIS A 16 -13.817 -14.529 8.505 1.00 0.00 N ATOM 275 CD2 HIS A 16 -15.528 -13.404 7.746 1.00 0.00 C ATOM 276 CE1 HIS A 16 -14.886 -14.967 9.144 1.00 0.00 C ATOM 277 NE2 HIS A 16 -15.937 -14.300 8.701 1.00 0.00 N ATOM 0 H HIS A 16 -11.520 -12.788 4.378 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.573 -14.211 6.955 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.731 -12.036 7.291 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.756 -12.361 5.907 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -16.158 -12.716 7.201 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.899 -15.739 9.900 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -16.898 -14.430 9.018 1.00 0.00 H new ATOM 286 N ILE A 17 -12.573 -16.109 5.736 1.00 0.00 N ATOM 287 CA ILE A 17 -13.150 -17.258 5.038 1.00 0.00 C ATOM 288 C ILE A 17 -14.091 -18.033 5.958 1.00 0.00 C ATOM 289 O ILE A 17 -13.645 -18.696 6.896 1.00 0.00 O ATOM 290 CB ILE A 17 -12.057 -18.215 4.510 1.00 0.00 C ATOM 291 CG1 ILE A 17 -10.860 -17.425 3.967 1.00 0.00 C ATOM 292 CG2 ILE A 17 -12.624 -19.131 3.432 1.00 0.00 C ATOM 293 CD1 ILE A 17 -9.686 -18.296 3.570 1.00 0.00 C ATOM 0 H ILE A 17 -12.008 -16.350 6.550 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.709 -16.865 4.189 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.712 -18.831 5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.181 -16.846 3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.533 -16.712 4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.840 -19.798 3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.440 -19.722 3.849 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.998 -18.530 2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.877 -17.668 3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.338 -18.856 4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.996 -18.992 2.790 1.00 0.00 H new ATOM 305 N LEU A 18 -15.396 -17.946 5.685 1.00 0.00 N ATOM 306 CA LEU A 18 -16.399 -18.641 6.493 1.00 0.00 C ATOM 307 C LEU A 18 -17.792 -18.515 5.872 1.00 0.00 C ATOM 308 O LEU A 18 -18.489 -17.522 6.089 1.00 0.00 O ATOM 309 CB LEU A 18 -16.414 -18.087 7.923 1.00 0.00 C ATOM 310 CG LEU A 18 -16.785 -19.098 9.010 1.00 0.00 C ATOM 311 CD1 LEU A 18 -15.623 -20.041 9.282 1.00 0.00 C ATOM 312 CD2 LEU A 18 -17.205 -18.381 10.285 1.00 0.00 C ATOM 0 H LEU A 18 -15.781 -17.402 4.912 1.00 0.00 H new ATOM 0 HA LEU A 18 -16.129 -19.697 6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.428 -17.681 8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -17.118 -17.256 7.966 1.00 0.00 H new ATOM 0 HG LEU A 18 -17.629 -19.690 8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -15.906 -20.753 10.058 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -15.371 -20.581 8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.758 -19.467 9.614 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.465 -19.116 11.047 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -16.382 -17.763 10.643 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -18.070 -17.750 10.080 1.00 0.00 H new ATOM 324 N PRO A 19 -18.218 -19.524 5.083 1.00 0.00 N ATOM 325 CA PRO A 19 -19.531 -19.523 4.425 1.00 0.00 C ATOM 326 C PRO A 19 -20.688 -19.691 5.413 1.00 0.00 C ATOM 327 O PRO A 19 -21.608 -18.873 5.444 1.00 0.00 O ATOM 328 CB PRO A 19 -19.468 -20.723 3.464 1.00 0.00 C ATOM 329 CG PRO A 19 -18.037 -21.156 3.446 1.00 0.00 C ATOM 330 CD PRO A 19 -17.454 -20.736 4.763 1.00 0.00 C ATOM 0 HA PRO A 19 -19.722 -18.574 3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -20.117 -21.530 3.804 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -19.804 -20.443 2.466 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.959 -22.235 3.312 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.501 -20.693 2.618 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -17.578 -21.506 5.525 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.386 -20.533 4.687 1.00 0.00 H new ATOM 338 N GLU A 20 -20.638 -20.767 6.209 1.00 0.00 N ATOM 339 CA GLU A 20 -21.679 -21.062 7.202 1.00 0.00 C ATOM 340 C GLU A 20 -22.999 -21.513 6.552 1.00 0.00 C ATOM 341 O GLU A 20 -23.972 -21.798 7.253 1.00 0.00 O ATOM 342 CB GLU A 20 -21.929 -19.840 8.094 1.00 0.00 C ATOM 343 CG GLU A 20 -22.138 -20.189 9.561 1.00 0.00 C ATOM 344 CD GLU A 20 -23.602 -20.327 9.933 1.00 0.00 C ATOM 345 OE1 GLU A 20 -24.382 -19.398 9.636 1.00 0.00 O ATOM 346 OE2 GLU A 20 -23.970 -21.365 10.525 1.00 0.00 O ATOM 0 H GLU A 20 -19.882 -21.452 6.184 1.00 0.00 H new ATOM 0 HA GLU A 20 -21.313 -21.890 7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -21.082 -19.159 8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -22.806 -19.306 7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -21.622 -21.123 9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -21.682 -19.417 10.181 1.00 0.00 H new ATOM 353 N VAL A 21 -23.032 -21.582 5.218 1.00 0.00 N ATOM 354 CA VAL A 21 -24.231 -22.001 4.496 1.00 0.00 C ATOM 355 C VAL A 21 -23.919 -23.163 3.550 1.00 0.00 C ATOM 356 O VAL A 21 -22.884 -23.162 2.883 1.00 0.00 O ATOM 357 CB VAL A 21 -24.841 -20.822 3.700 1.00 0.00 C ATOM 358 CG1 VAL A 21 -23.852 -20.287 2.674 1.00 0.00 C ATOM 359 CG2 VAL A 21 -26.144 -21.237 3.029 1.00 0.00 C ATOM 0 H VAL A 21 -22.240 -21.352 4.618 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.960 -22.336 5.234 1.00 0.00 H new ATOM 0 HB VAL A 21 -25.062 -20.020 4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -24.306 -19.459 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -22.954 -19.937 3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -23.588 -21.081 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -26.554 -20.392 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.953 -22.062 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -26.859 -21.555 3.788 1.00 0.00 H new ATOM 369 N PRO A 22 -24.810 -24.176 3.476 1.00 0.00 N ATOM 370 CA PRO A 22 -24.616 -25.342 2.601 1.00 0.00 C ATOM 371 C PRO A 22 -24.444 -24.946 1.130 1.00 0.00 C ATOM 372 O PRO A 22 -25.094 -24.013 0.651 1.00 0.00 O ATOM 373 CB PRO A 22 -25.898 -26.165 2.787 1.00 0.00 C ATOM 374 CG PRO A 22 -26.879 -25.232 3.413 1.00 0.00 C ATOM 375 CD PRO A 22 -26.069 -24.272 4.234 1.00 0.00 C ATOM 0 HA PRO A 22 -23.709 -25.888 2.859 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -26.266 -26.540 1.832 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -25.720 -27.032 3.423 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -27.456 -24.705 2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -27.591 -25.774 4.036 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -26.561 -23.304 4.326 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -25.905 -24.643 5.246 1.00 0.00 H new ATOM 383 N PRO A 23 -23.559 -25.654 0.395 1.00 0.00 N ATOM 384 CA PRO A 23 -23.298 -25.372 -1.024 1.00 0.00 C ATOM 385 C PRO A 23 -24.485 -25.707 -1.922 1.00 0.00 C ATOM 386 O PRO A 23 -24.847 -26.874 -2.082 1.00 0.00 O ATOM 387 CB PRO A 23 -22.106 -26.276 -1.357 1.00 0.00 C ATOM 388 CG PRO A 23 -22.176 -27.382 -0.361 1.00 0.00 C ATOM 389 CD PRO A 23 -22.741 -26.776 0.893 1.00 0.00 C ATOM 0 HA PRO A 23 -23.110 -24.312 -1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -22.171 -26.657 -2.376 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -21.164 -25.733 -1.279 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -22.809 -28.193 -0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -21.188 -27.806 -0.179 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -23.342 -27.494 1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -21.953 -26.432 1.563 1.00 0.00 H new ATOM 397 N VAL A 24 -25.080 -24.674 -2.511 1.00 0.00 N ATOM 398 CA VAL A 24 -26.224 -24.851 -3.406 1.00 0.00 C ATOM 399 C VAL A 24 -26.232 -23.808 -4.523 1.00 0.00 C ATOM 400 O VAL A 24 -26.415 -24.146 -5.693 1.00 0.00 O ATOM 401 CB VAL A 24 -27.567 -24.786 -2.645 1.00 0.00 C ATOM 402 CG1 VAL A 24 -27.762 -26.035 -1.802 1.00 0.00 C ATOM 403 CG2 VAL A 24 -27.653 -23.531 -1.782 1.00 0.00 C ATOM 0 H VAL A 24 -24.790 -23.704 -2.386 1.00 0.00 H new ATOM 0 HA VAL A 24 -26.115 -25.843 -3.844 1.00 0.00 H new ATOM 0 HB VAL A 24 -28.369 -24.737 -3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -28.713 -25.972 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -27.763 -26.913 -2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -26.950 -26.117 -1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -28.609 -23.514 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -26.841 -23.534 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -27.570 -22.648 -2.415 1.00 0.00 H new ATOM 413 N GLU A 25 -26.040 -22.543 -4.153 1.00 0.00 N ATOM 414 CA GLU A 25 -26.031 -21.451 -5.124 1.00 0.00 C ATOM 415 C GLU A 25 -24.779 -20.587 -4.978 1.00 0.00 C ATOM 416 O GLU A 25 -24.077 -20.330 -5.955 1.00 0.00 O ATOM 417 CB GLU A 25 -27.290 -20.583 -4.972 1.00 0.00 C ATOM 418 CG GLU A 25 -27.584 -20.154 -3.536 1.00 0.00 C ATOM 419 CD GLU A 25 -29.049 -19.816 -3.303 1.00 0.00 C ATOM 420 OE1 GLU A 25 -29.918 -20.414 -3.973 1.00 0.00 O ATOM 421 OE2 GLU A 25 -29.325 -18.953 -2.444 1.00 0.00 O ATOM 0 H GLU A 25 -25.889 -22.249 -3.188 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.024 -21.895 -6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -27.180 -19.692 -5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -28.147 -21.135 -5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -27.289 -20.954 -2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -26.973 -19.285 -3.290 1.00 0.00 H new ATOM 428 N ASN A 26 -24.505 -20.140 -3.753 1.00 0.00 N ATOM 429 CA ASN A 26 -23.339 -19.302 -3.487 1.00 0.00 C ATOM 430 C ASN A 26 -22.080 -20.148 -3.289 1.00 0.00 C ATOM 431 O ASN A 26 -21.008 -19.799 -3.786 1.00 0.00 O ATOM 432 CB ASN A 26 -23.589 -18.419 -2.261 1.00 0.00 C ATOM 433 CG ASN A 26 -23.727 -19.217 -0.980 1.00 0.00 C ATOM 434 OD1 ASN A 26 -24.828 -19.612 -0.593 1.00 0.00 O ATOM 435 ND2 ASN A 26 -22.604 -19.464 -0.313 1.00 0.00 N ATOM 0 H ASN A 26 -25.074 -20.344 -2.931 1.00 0.00 H new ATOM 0 HA ASN A 26 -23.178 -18.663 -4.355 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -22.767 -17.711 -2.156 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -24.495 -17.834 -2.419 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -22.633 -19.999 0.555 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -21.713 -19.118 -0.669 1.00 0.00 H new ATOM 442 N PHE A 27 -22.217 -21.260 -2.557 1.00 0.00 N ATOM 443 CA PHE A 27 -21.091 -22.157 -2.289 1.00 0.00 C ATOM 444 C PHE A 27 -20.014 -21.464 -1.442 1.00 0.00 C ATOM 445 O PHE A 27 -20.025 -20.240 -1.288 1.00 0.00 O ATOM 446 CB PHE A 27 -20.487 -22.662 -3.607 1.00 0.00 C ATOM 447 CG PHE A 27 -21.098 -23.945 -4.103 1.00 0.00 C ATOM 448 CD1 PHE A 27 -22.453 -24.021 -4.388 1.00 0.00 C ATOM 449 CD2 PHE A 27 -20.317 -25.077 -4.282 1.00 0.00 C ATOM 450 CE1 PHE A 27 -23.016 -25.198 -4.842 1.00 0.00 C ATOM 451 CE2 PHE A 27 -20.875 -26.258 -4.734 1.00 0.00 C ATOM 452 CZ PHE A 27 -22.226 -26.318 -5.015 1.00 0.00 C ATOM 0 H PHE A 27 -23.099 -21.559 -2.140 1.00 0.00 H new ATOM 0 HA PHE A 27 -21.468 -23.008 -1.722 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -20.610 -21.893 -4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -19.415 -22.809 -3.472 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -23.076 -23.149 -4.253 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -19.260 -25.035 -4.066 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -24.073 -25.243 -5.061 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -20.256 -27.133 -4.867 1.00 0.00 H new ATOM 0 HZ PHE A 27 -22.664 -27.239 -5.369 1.00 0.00 H new ATOM 462 N PRO A 28 -19.070 -22.244 -0.871 1.00 0.00 N ATOM 463 CA PRO A 28 -17.985 -21.708 -0.030 1.00 0.00 C ATOM 464 C PRO A 28 -17.241 -20.543 -0.682 1.00 0.00 C ATOM 465 O PRO A 28 -16.891 -20.601 -1.863 1.00 0.00 O ATOM 466 CB PRO A 28 -17.051 -22.907 0.150 1.00 0.00 C ATOM 467 CG PRO A 28 -17.935 -24.097 0.004 1.00 0.00 C ATOM 468 CD PRO A 28 -18.989 -23.714 -0.999 1.00 0.00 C ATOM 0 HA PRO A 28 -18.368 -21.299 0.905 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.258 -22.908 -0.598 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -16.567 -22.890 1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -17.369 -24.963 -0.338 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.386 -24.367 0.959 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.710 -24.014 -2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -19.945 -24.189 -0.778 1.00 0.00 H new ATOM 476 N VAL A 29 -17.009 -19.483 0.094 1.00 0.00 N ATOM 477 CA VAL A 29 -16.314 -18.298 -0.405 1.00 0.00 C ATOM 478 C VAL A 29 -15.397 -17.683 0.655 1.00 0.00 C ATOM 479 O VAL A 29 -15.356 -18.142 1.799 1.00 0.00 O ATOM 480 CB VAL A 29 -17.315 -17.223 -0.884 1.00 0.00 C ATOM 481 CG1 VAL A 29 -17.793 -17.530 -2.295 1.00 0.00 C ATOM 482 CG2 VAL A 29 -18.496 -17.116 0.073 1.00 0.00 C ATOM 0 H VAL A 29 -17.293 -19.422 1.072 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.705 -18.631 -1.246 1.00 0.00 H new ATOM 0 HB VAL A 29 -16.802 -16.261 -0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.497 -16.762 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -16.940 -17.546 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.285 -18.502 -2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -19.187 -16.353 -0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -19.010 -18.076 0.125 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -18.137 -16.843 1.065 1.00 0.00 H new ATOM 492 N ARG A 30 -14.668 -16.636 0.263 1.00 0.00 N ATOM 493 CA ARG A 30 -13.752 -15.940 1.168 1.00 0.00 C ATOM 494 C ARG A 30 -13.850 -14.426 0.983 1.00 0.00 C ATOM 495 O ARG A 30 -14.397 -13.944 -0.008 1.00 0.00 O ATOM 496 CB ARG A 30 -12.305 -16.408 0.948 1.00 0.00 C ATOM 497 CG ARG A 30 -11.913 -16.564 -0.514 1.00 0.00 C ATOM 498 CD ARG A 30 -11.327 -17.938 -0.795 1.00 0.00 C ATOM 499 NE ARG A 30 -12.351 -18.895 -1.224 1.00 0.00 N ATOM 500 CZ ARG A 30 -12.088 -20.032 -1.871 1.00 0.00 C ATOM 501 NH1 ARG A 30 -10.836 -20.371 -2.169 1.00 0.00 N ATOM 502 NH2 ARG A 30 -13.083 -20.839 -2.221 1.00 0.00 N ATOM 0 H ARG A 30 -14.695 -16.250 -0.681 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.043 -16.184 2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.629 -15.694 1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.163 -17.363 1.454 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.788 -16.406 -1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.186 -15.797 -0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.562 -17.855 -1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.834 -18.312 0.102 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.326 -18.678 -1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.065 -19.759 -1.902 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.648 -21.243 -2.664 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.046 -20.589 -1.995 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.884 -21.709 -2.716 1.00 0.00 H new ATOM 516 N GLN A 31 -13.320 -13.678 1.948 1.00 0.00 N ATOM 517 CA GLN A 31 -13.349 -12.219 1.900 1.00 0.00 C ATOM 518 C GLN A 31 -11.936 -11.648 1.968 1.00 0.00 C ATOM 519 O GLN A 31 -11.047 -12.244 2.579 1.00 0.00 O ATOM 520 CB GLN A 31 -14.201 -11.670 3.049 1.00 0.00 C ATOM 521 CG GLN A 31 -14.924 -10.374 2.707 1.00 0.00 C ATOM 522 CD GLN A 31 -15.912 -9.949 3.780 1.00 0.00 C ATOM 523 OE1 GLN A 31 -15.824 -8.845 4.315 1.00 0.00 O ATOM 524 NE2 GLN A 31 -16.864 -10.822 4.096 1.00 0.00 N ATOM 0 H GLN A 31 -12.863 -14.061 2.776 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.795 -11.914 0.953 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.936 -12.422 3.336 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.562 -11.502 3.916 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.190 -9.582 2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.452 -10.497 1.762 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.901 -11.728 3.628 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -17.557 -10.586 4.806 1.00 0.00 H new ATOM 533 N TRP A 32 -11.732 -10.497 1.333 1.00 0.00 N ATOM 534 CA TRP A 32 -10.420 -9.852 1.314 1.00 0.00 C ATOM 535 C TRP A 32 -10.549 -8.331 1.256 1.00 0.00 C ATOM 536 O TRP A 32 -11.404 -7.793 0.553 1.00 0.00 O ATOM 537 CB TRP A 32 -9.593 -10.351 0.122 1.00 0.00 C ATOM 538 CG TRP A 32 -10.315 -10.268 -1.190 1.00 0.00 C ATOM 539 CD1 TRP A 32 -11.328 -11.077 -1.621 1.00 0.00 C ATOM 540 CD2 TRP A 32 -10.082 -9.323 -2.242 1.00 0.00 C ATOM 541 NE1 TRP A 32 -11.740 -10.691 -2.874 1.00 0.00 N ATOM 542 CE2 TRP A 32 -10.991 -9.618 -3.277 1.00 0.00 C ATOM 543 CE3 TRP A 32 -9.197 -8.253 -2.408 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -11.036 -8.884 -4.460 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -9.243 -7.527 -3.584 1.00 0.00 C ATOM 546 CH2 TRP A 32 -10.157 -7.843 -4.596 1.00 0.00 C ATOM 0 H TRP A 32 -12.457 -9.991 0.825 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.909 -10.117 2.240 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.675 -9.767 0.059 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.301 -11.386 0.301 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -11.744 -11.900 -1.059 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.483 -11.132 -3.416 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.490 -7.998 -1.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.739 -9.127 -5.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.561 -6.701 -3.724 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.169 -7.254 -5.501 1.00 0.00 H new ATOM 557 N SER A 33 -9.684 -7.647 2.001 1.00 0.00 N ATOM 558 CA SER A 33 -9.680 -6.190 2.045 1.00 0.00 C ATOM 559 C SER A 33 -8.269 -5.652 1.811 1.00 0.00 C ATOM 560 O SER A 33 -7.358 -5.922 2.593 1.00 0.00 O ATOM 561 CB SER A 33 -10.210 -5.702 3.397 1.00 0.00 C ATOM 562 OG SER A 33 -10.169 -4.289 3.490 1.00 0.00 O ATOM 0 H SER A 33 -8.972 -8.084 2.586 1.00 0.00 H new ATOM 0 HA SER A 33 -10.330 -5.818 1.254 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.235 -6.047 3.534 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.617 -6.138 4.201 1.00 0.00 H new ATOM 0 HG SER A 33 -10.041 -4.026 4.425 1.00 0.00 H new ATOM 568 N ILE A 34 -8.096 -4.892 0.729 1.00 0.00 N ATOM 569 CA ILE A 34 -6.791 -4.322 0.396 1.00 0.00 C ATOM 570 C ILE A 34 -6.881 -2.807 0.216 1.00 0.00 C ATOM 571 O ILE A 34 -7.707 -2.312 -0.554 1.00 0.00 O ATOM 572 CB ILE A 34 -6.205 -4.951 -0.886 1.00 0.00 C ATOM 573 CG1 ILE A 34 -6.258 -6.482 -0.815 1.00 0.00 C ATOM 574 CG2 ILE A 34 -4.773 -4.477 -1.101 1.00 0.00 C ATOM 575 CD1 ILE A 34 -5.414 -7.073 0.297 1.00 0.00 C ATOM 0 H ILE A 34 -8.840 -4.658 0.071 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.128 -4.547 1.232 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.810 -4.629 -1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.293 -6.794 -0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.925 -6.892 -1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.373 -4.929 -2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.760 -3.392 -1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.161 -4.771 -0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.503 -8.159 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.371 -6.792 0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.760 -6.693 1.258 1.00 0.00 H new ATOM 587 N GLU A 35 -6.022 -2.080 0.931 1.00 0.00 N ATOM 588 CA GLU A 35 -5.995 -0.619 0.855 1.00 0.00 C ATOM 589 C GLU A 35 -4.573 -0.090 1.059 1.00 0.00 C ATOM 590 O GLU A 35 -3.729 -0.769 1.647 1.00 0.00 O ATOM 591 CB GLU A 35 -6.933 -0.020 1.906 1.00 0.00 C ATOM 592 CG GLU A 35 -6.604 -0.442 3.331 1.00 0.00 C ATOM 593 CD GLU A 35 -6.673 0.709 4.312 1.00 0.00 C ATOM 594 OE1 GLU A 35 -5.886 1.667 4.160 1.00 0.00 O ATOM 595 OE2 GLU A 35 -7.513 0.652 5.236 1.00 0.00 O ATOM 0 H GLU A 35 -5.335 -2.480 1.570 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.334 -0.321 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.892 1.067 1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.957 -0.315 1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.298 -1.223 3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.604 -0.875 3.356 1.00 0.00 H new ATOM 602 N ILE A 36 -4.315 1.124 0.570 1.00 0.00 N ATOM 603 CA ILE A 36 -2.992 1.736 0.701 1.00 0.00 C ATOM 604 C ILE A 36 -3.072 3.262 0.646 1.00 0.00 C ATOM 605 O ILE A 36 -3.659 3.833 -0.274 1.00 0.00 O ATOM 606 CB ILE A 36 -2.020 1.229 -0.390 1.00 0.00 C ATOM 607 CG1 ILE A 36 -0.655 1.911 -0.259 1.00 0.00 C ATOM 608 CG2 ILE A 36 -2.599 1.459 -1.779 1.00 0.00 C ATOM 609 CD1 ILE A 36 0.367 1.412 -1.258 1.00 0.00 C ATOM 0 H ILE A 36 -5.001 1.700 0.082 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.607 1.440 1.677 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.884 0.157 -0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.781 2.986 -0.386 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.273 1.752 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.898 1.095 -2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.543 0.922 -1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.771 2.525 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.310 1.938 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.522 0.342 -1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.006 1.596 -2.270 1.00 0.00 H new ATOM 621 N VAL A 37 -2.468 3.913 1.641 1.00 0.00 N ATOM 622 CA VAL A 37 -2.456 5.373 1.718 1.00 0.00 C ATOM 623 C VAL A 37 -1.024 5.907 1.681 1.00 0.00 C ATOM 624 O VAL A 37 -0.102 5.247 2.158 1.00 0.00 O ATOM 625 CB VAL A 37 -3.150 5.877 3.004 1.00 0.00 C ATOM 626 CG1 VAL A 37 -3.290 7.393 2.985 1.00 0.00 C ATOM 627 CG2 VAL A 37 -4.509 5.211 3.175 1.00 0.00 C ATOM 0 H VAL A 37 -1.979 3.450 2.407 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.006 5.743 0.853 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.527 5.606 3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.781 7.725 3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.302 7.849 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.887 7.692 2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.982 5.578 4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.140 5.446 2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.379 4.131 3.244 1.00 0.00 H new ATOM 637 N LEU A 38 -0.845 7.101 1.111 1.00 0.00 N ATOM 638 CA LEU A 38 0.479 7.714 1.012 1.00 0.00 C ATOM 639 C LEU A 38 0.379 9.223 0.780 1.00 0.00 C ATOM 640 O LEU A 38 -0.533 9.696 0.098 1.00 0.00 O ATOM 641 CB LEU A 38 1.277 7.060 -0.119 1.00 0.00 C ATOM 642 CG LEU A 38 2.668 7.654 -0.374 1.00 0.00 C ATOM 643 CD1 LEU A 38 3.738 6.577 -0.265 1.00 0.00 C ATOM 644 CD2 LEU A 38 2.716 8.328 -1.740 1.00 0.00 C ATOM 0 H LEU A 38 -1.599 7.660 0.712 1.00 0.00 H new ATOM 0 HA LEU A 38 0.996 7.553 1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.389 5.999 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.696 7.132 -1.039 1.00 0.00 H new ATOM 0 HG LEU A 38 2.867 8.408 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.718 7.018 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.717 6.143 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.546 5.798 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.710 8.744 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.496 7.594 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.977 9.128 -1.777 1.00 0.00 H new ATOM 656 N LEU A 39 1.328 9.970 1.349 1.00 0.00 N ATOM 657 CA LEU A 39 1.358 11.426 1.204 1.00 0.00 C ATOM 658 C LEU A 39 2.424 11.855 0.197 1.00 0.00 C ATOM 659 O LEU A 39 3.314 11.076 -0.152 1.00 0.00 O ATOM 660 CB LEU A 39 1.627 12.091 2.560 1.00 0.00 C ATOM 661 CG LEU A 39 0.691 13.253 2.915 1.00 0.00 C ATOM 662 CD1 LEU A 39 -0.764 12.812 2.845 1.00 0.00 C ATOM 663 CD2 LEU A 39 1.022 13.798 4.299 1.00 0.00 C ATOM 0 H LEU A 39 2.086 9.589 1.915 1.00 0.00 H new ATOM 0 HA LEU A 39 0.384 11.747 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.551 11.333 3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.654 12.457 2.570 1.00 0.00 H new ATOM 0 HG LEU A 39 0.839 14.050 2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.411 13.651 3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.993 12.471 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.932 11.997 3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.349 14.622 4.536 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.902 13.007 5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.052 14.155 4.313 1.00 0.00 H new ATOM 675 N ASP A 40 2.329 13.105 -0.261 1.00 0.00 N ATOM 676 CA ASP A 40 3.283 13.657 -1.226 1.00 0.00 C ATOM 677 C ASP A 40 3.059 15.158 -1.419 1.00 0.00 C ATOM 678 O ASP A 40 4.011 15.941 -1.420 1.00 0.00 O ATOM 679 CB ASP A 40 3.161 12.937 -2.575 1.00 0.00 C ATOM 680 CG ASP A 40 4.377 12.088 -2.895 1.00 0.00 C ATOM 681 OD1 ASP A 40 5.498 12.641 -2.932 1.00 0.00 O ATOM 682 OD2 ASP A 40 4.210 10.867 -3.110 1.00 0.00 O ATOM 0 H ASP A 40 1.598 13.757 0.022 1.00 0.00 H new ATOM 0 HA ASP A 40 4.286 13.503 -0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.273 12.305 -2.566 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.019 13.675 -3.365 1.00 0.00 H new ATOM 687 N ASP A 41 1.793 15.548 -1.580 1.00 0.00 N ATOM 688 CA ASP A 41 1.428 16.951 -1.773 1.00 0.00 C ATOM 689 C ASP A 41 1.498 17.759 -0.470 1.00 0.00 C ATOM 690 O ASP A 41 1.214 18.959 -0.471 1.00 0.00 O ATOM 691 CB ASP A 41 0.015 17.051 -2.358 1.00 0.00 C ATOM 692 CG ASP A 41 -1.027 16.371 -1.486 1.00 0.00 C ATOM 693 OD1 ASP A 41 -1.422 16.964 -0.461 1.00 0.00 O ATOM 694 OD2 ASP A 41 -1.441 15.243 -1.825 1.00 0.00 O ATOM 0 H ASP A 41 1.000 14.907 -1.580 1.00 0.00 H new ATOM 0 HA ASP A 41 2.153 17.376 -2.466 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.250 18.101 -2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.004 16.600 -3.350 1.00 0.00 H new ATOM 699 N GLU A 42 1.878 17.114 0.637 1.00 0.00 N ATOM 700 CA GLU A 42 1.977 17.802 1.922 1.00 0.00 C ATOM 701 C GLU A 42 3.313 18.525 2.043 1.00 0.00 C ATOM 702 O GLU A 42 3.393 19.602 2.638 1.00 0.00 O ATOM 703 CB GLU A 42 1.812 16.817 3.083 1.00 0.00 C ATOM 704 CG GLU A 42 0.737 17.231 4.076 1.00 0.00 C ATOM 705 CD GLU A 42 1.311 17.867 5.328 1.00 0.00 C ATOM 706 OE1 GLU A 42 1.801 19.012 5.242 1.00 0.00 O ATOM 707 OE2 GLU A 42 1.269 17.219 6.395 1.00 0.00 O ATOM 0 H GLU A 42 2.120 16.124 0.667 1.00 0.00 H new ATOM 0 HA GLU A 42 1.173 18.536 1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.568 15.833 2.683 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.763 16.721 3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.056 17.934 3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.149 16.356 4.354 1.00 0.00 H new ATOM 714 N GLY A 43 4.362 17.927 1.477 1.00 0.00 N ATOM 715 CA GLY A 43 5.678 18.529 1.534 1.00 0.00 C ATOM 716 C GLY A 43 6.227 18.868 0.163 1.00 0.00 C ATOM 717 O GLY A 43 6.586 20.016 -0.103 1.00 0.00 O ATOM 0 H GLY A 43 4.319 17.037 0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.632 19.436 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.364 17.847 2.037 1.00 0.00 H new ATOM 721 N LYS A 44 6.295 17.864 -0.711 1.00 0.00 N ATOM 722 CA LYS A 44 6.810 18.057 -2.061 1.00 0.00 C ATOM 723 C LYS A 44 6.399 16.907 -2.976 1.00 0.00 C ATOM 724 O LYS A 44 6.832 15.769 -2.792 1.00 0.00 O ATOM 725 CB LYS A 44 8.335 18.181 -2.032 1.00 0.00 C ATOM 726 CG LYS A 44 8.903 18.920 -3.230 1.00 0.00 C ATOM 727 CD LYS A 44 10.307 19.433 -2.958 1.00 0.00 C ATOM 728 CE LYS A 44 11.082 19.651 -4.248 1.00 0.00 C ATOM 729 NZ LYS A 44 12.555 19.670 -4.023 1.00 0.00 N ATOM 0 H LYS A 44 5.999 16.910 -0.506 1.00 0.00 H new ATOM 0 HA LYS A 44 6.382 18.978 -2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.633 18.699 -1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.772 17.184 -1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.919 18.255 -4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.252 19.757 -3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.252 20.370 -2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.840 18.720 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.835 18.861 -4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.773 20.593 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.043 19.821 -4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.796 20.440 -3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.856 18.762 -3.615 1.00 0.00 H new ATOM 743 N GLU A 45 5.566 17.216 -3.969 1.00 0.00 N ATOM 744 CA GLU A 45 5.100 16.213 -4.920 1.00 0.00 C ATOM 745 C GLU A 45 5.914 16.268 -6.220 1.00 0.00 C ATOM 746 O GLU A 45 5.373 16.093 -7.314 1.00 0.00 O ATOM 747 CB GLU A 45 3.609 16.422 -5.211 1.00 0.00 C ATOM 748 CG GLU A 45 2.934 15.206 -5.828 1.00 0.00 C ATOM 749 CD GLU A 45 1.574 15.526 -6.419 1.00 0.00 C ATOM 750 OE1 GLU A 45 1.514 16.348 -7.359 1.00 0.00 O ATOM 751 OE2 GLU A 45 0.571 14.951 -5.949 1.00 0.00 O ATOM 0 H GLU A 45 5.201 18.154 -4.134 1.00 0.00 H new ATOM 0 HA GLU A 45 5.241 15.226 -4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.098 16.679 -4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.494 17.272 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.576 14.796 -6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.822 14.433 -5.068 1.00 0.00 H new ATOM 758 N ILE A 46 7.222 16.509 -6.091 1.00 0.00 N ATOM 759 CA ILE A 46 8.114 16.584 -7.245 1.00 0.00 C ATOM 760 C ILE A 46 9.241 15.555 -7.133 1.00 0.00 C ATOM 761 O ILE A 46 9.859 15.420 -6.075 1.00 0.00 O ATOM 762 CB ILE A 46 8.738 17.992 -7.392 1.00 0.00 C ATOM 763 CG1 ILE A 46 7.655 19.074 -7.362 1.00 0.00 C ATOM 764 CG2 ILE A 46 9.548 18.083 -8.679 1.00 0.00 C ATOM 765 CD1 ILE A 46 7.642 19.886 -6.083 1.00 0.00 C ATOM 0 H ILE A 46 7.685 16.656 -5.194 1.00 0.00 H new ATOM 0 HA ILE A 46 7.508 16.371 -8.125 1.00 0.00 H new ATOM 0 HB ILE A 46 9.407 18.158 -6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.802 19.746 -8.207 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.680 18.604 -7.494 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.980 19.080 -8.767 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.347 17.342 -8.659 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.897 17.893 -9.533 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.849 20.632 -6.134 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.464 19.225 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.603 20.385 -5.959 1.00 0.00 H new ATOM 777 N PRO A 47 9.526 14.818 -8.225 1.00 0.00 N ATOM 778 CA PRO A 47 10.586 13.800 -8.245 1.00 0.00 C ATOM 779 C PRO A 47 11.990 14.411 -8.278 1.00 0.00 C ATOM 780 O PRO A 47 12.155 15.623 -8.127 1.00 0.00 O ATOM 781 CB PRO A 47 10.309 13.034 -9.540 1.00 0.00 C ATOM 782 CG PRO A 47 9.655 14.031 -10.431 1.00 0.00 C ATOM 783 CD PRO A 47 8.835 14.916 -9.529 1.00 0.00 C ATOM 0 HA PRO A 47 10.571 13.180 -7.349 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.230 12.653 -9.980 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.661 12.175 -9.362 1.00 0.00 H new ATOM 0 HG2 PRO A 47 10.397 14.612 -10.978 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.026 13.539 -11.172 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.808 15.943 -9.892 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.802 14.574 -9.462 1.00 0.00 H new ATOM 791 N ALA A 48 12.995 13.557 -8.480 1.00 0.00 N ATOM 792 CA ALA A 48 14.386 14.001 -8.539 1.00 0.00 C ATOM 793 C ALA A 48 15.295 12.918 -9.128 1.00 0.00 C ATOM 794 O ALA A 48 16.138 13.203 -9.979 1.00 0.00 O ATOM 795 CB ALA A 48 14.872 14.410 -7.156 1.00 0.00 C ATOM 0 H ALA A 48 12.870 12.553 -8.606 1.00 0.00 H new ATOM 0 HA ALA A 48 14.432 14.868 -9.198 1.00 0.00 H new ATOM 0 HB1 ALA A 48 15.910 14.738 -7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.255 15.226 -6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.800 13.559 -6.479 1.00 0.00 H new ATOM 801 N THR A 49 15.114 11.677 -8.672 1.00 0.00 N ATOM 802 CA THR A 49 15.913 10.553 -9.160 1.00 0.00 C ATOM 803 C THR A 49 15.009 9.397 -9.588 1.00 0.00 C ATOM 804 O THR A 49 14.939 9.063 -10.771 1.00 0.00 O ATOM 805 CB THR A 49 16.909 10.083 -8.089 1.00 0.00 C ATOM 806 OG1 THR A 49 17.306 11.162 -7.259 1.00 0.00 O ATOM 807 CG2 THR A 49 18.166 9.465 -8.665 1.00 0.00 C ATOM 0 H THR A 49 14.422 11.426 -7.966 1.00 0.00 H new ATOM 0 HA THR A 49 16.478 10.893 -10.028 1.00 0.00 H new ATOM 0 HB THR A 49 16.375 9.322 -7.520 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.202 10.907 -6.319 1.00 0.00 H new ATOM 0 HG21 THR A 49 18.824 9.156 -7.853 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.901 8.597 -9.268 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.679 10.197 -9.289 1.00 0.00 H new ATOM 815 N ILE A 50 14.308 8.797 -8.623 1.00 0.00 N ATOM 816 CA ILE A 50 13.401 7.689 -8.914 1.00 0.00 C ATOM 817 C ILE A 50 11.948 8.083 -8.619 1.00 0.00 C ATOM 818 O ILE A 50 11.245 8.552 -9.514 1.00 0.00 O ATOM 819 CB ILE A 50 13.778 6.408 -8.132 1.00 0.00 C ATOM 820 CG1 ILE A 50 15.253 6.054 -8.356 1.00 0.00 C ATOM 821 CG2 ILE A 50 12.881 5.248 -8.548 1.00 0.00 C ATOM 822 CD1 ILE A 50 15.621 5.837 -9.810 1.00 0.00 C ATOM 0 H ILE A 50 14.352 9.060 -7.638 1.00 0.00 H new ATOM 0 HA ILE A 50 13.499 7.467 -9.977 1.00 0.00 H new ATOM 0 HB ILE A 50 13.629 6.597 -7.069 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.873 6.853 -7.950 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.489 5.151 -7.794 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.159 4.355 -7.989 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.841 5.499 -8.338 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.000 5.060 -9.615 1.00 0.00 H new ATOM 0 HD11 ILE A 50 16.680 5.591 -9.884 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.029 5.018 -10.217 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.419 6.746 -10.376 1.00 0.00 H new ATOM 834 N PHE A 51 11.503 7.900 -7.368 1.00 0.00 N ATOM 835 CA PHE A 51 10.135 8.252 -6.974 1.00 0.00 C ATOM 836 C PHE A 51 9.100 7.492 -7.811 1.00 0.00 C ATOM 837 O PHE A 51 8.754 7.907 -8.920 1.00 0.00 O ATOM 838 CB PHE A 51 9.927 9.768 -7.106 1.00 0.00 C ATOM 839 CG PHE A 51 8.523 10.236 -6.815 1.00 0.00 C ATOM 840 CD1 PHE A 51 7.951 10.040 -5.568 1.00 0.00 C ATOM 841 CD2 PHE A 51 7.782 10.885 -7.791 1.00 0.00 C ATOM 842 CE1 PHE A 51 6.667 10.481 -5.300 1.00 0.00 C ATOM 843 CE2 PHE A 51 6.498 11.325 -7.529 1.00 0.00 C ATOM 844 CZ PHE A 51 5.942 11.125 -6.282 1.00 0.00 C ATOM 0 H PHE A 51 12.070 7.511 -6.615 1.00 0.00 H new ATOM 0 HA PHE A 51 9.994 7.962 -5.933 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.613 10.276 -6.429 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.195 10.072 -8.118 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.514 9.537 -4.796 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.213 11.049 -8.768 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.233 10.321 -4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.930 11.825 -8.300 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.941 11.472 -6.075 1.00 0.00 H new ATOM 854 N ASP A 52 8.604 6.378 -7.263 1.00 0.00 N ATOM 855 CA ASP A 52 7.605 5.557 -7.949 1.00 0.00 C ATOM 856 C ASP A 52 7.081 4.457 -7.030 1.00 0.00 C ATOM 857 O ASP A 52 7.800 3.516 -6.698 1.00 0.00 O ATOM 858 CB ASP A 52 8.193 4.929 -9.216 1.00 0.00 C ATOM 859 CG ASP A 52 7.115 4.506 -10.197 1.00 0.00 C ATOM 860 OD1 ASP A 52 6.560 5.387 -10.884 1.00 0.00 O ATOM 861 OD2 ASP A 52 6.825 3.292 -10.271 1.00 0.00 O ATOM 0 H ASP A 52 8.879 6.025 -6.346 1.00 0.00 H new ATOM 0 HA ASP A 52 6.777 6.209 -8.228 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.861 5.643 -9.698 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.796 4.062 -8.944 1.00 0.00 H new ATOM 866 N LYS A 53 5.821 4.578 -6.625 1.00 0.00 N ATOM 867 CA LYS A 53 5.208 3.588 -5.748 1.00 0.00 C ATOM 868 C LYS A 53 4.288 2.664 -6.541 1.00 0.00 C ATOM 869 O LYS A 53 3.406 3.128 -7.267 1.00 0.00 O ATOM 870 CB LYS A 53 4.432 4.278 -4.628 1.00 0.00 C ATOM 871 CG LYS A 53 5.298 5.130 -3.714 1.00 0.00 C ATOM 872 CD LYS A 53 4.853 6.583 -3.710 1.00 0.00 C ATOM 873 CE LYS A 53 5.518 7.379 -4.822 1.00 0.00 C ATOM 874 NZ LYS A 53 4.551 8.269 -5.521 1.00 0.00 N ATOM 0 H LYS A 53 5.207 5.349 -6.889 1.00 0.00 H new ATOM 0 HA LYS A 53 6.000 2.985 -5.303 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.658 4.906 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.925 3.521 -4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.255 4.734 -2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.337 5.069 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.770 6.632 -3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.092 7.034 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.328 7.978 -4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.966 6.694 -5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.056 9.086 -5.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.086 7.742 -6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.834 8.601 -4.845 1.00 0.00 H new ATOM 888 N VAL A 54 4.502 1.358 -6.402 1.00 0.00 N ATOM 889 CA VAL A 54 3.694 0.369 -7.112 1.00 0.00 C ATOM 890 C VAL A 54 3.090 -0.656 -6.157 1.00 0.00 C ATOM 891 O VAL A 54 3.727 -1.068 -5.184 1.00 0.00 O ATOM 892 CB VAL A 54 4.518 -0.367 -8.192 1.00 0.00 C ATOM 893 CG1 VAL A 54 4.806 0.560 -9.364 1.00 0.00 C ATOM 894 CG2 VAL A 54 5.813 -0.922 -7.609 1.00 0.00 C ATOM 0 H VAL A 54 5.227 0.960 -5.805 1.00 0.00 H new ATOM 0 HA VAL A 54 2.887 0.920 -7.595 1.00 0.00 H new ATOM 0 HB VAL A 54 3.929 -1.209 -8.555 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.387 0.026 -10.116 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.866 0.895 -9.802 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.371 1.424 -9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.373 -1.435 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.413 -0.104 -7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.580 -1.625 -6.809 1.00 0.00 H new ATOM 904 N ILE A 55 1.853 -1.062 -6.444 1.00 0.00 N ATOM 905 CA ILE A 55 1.147 -2.040 -5.620 1.00 0.00 C ATOM 906 C ILE A 55 0.617 -3.195 -6.468 1.00 0.00 C ATOM 907 O ILE A 55 0.296 -3.023 -7.646 1.00 0.00 O ATOM 908 CB ILE A 55 -0.035 -1.396 -4.860 1.00 0.00 C ATOM 909 CG1 ILE A 55 0.372 -0.043 -4.269 1.00 0.00 C ATOM 910 CG2 ILE A 55 -0.537 -2.327 -3.764 1.00 0.00 C ATOM 911 CD1 ILE A 55 -0.084 1.138 -5.097 1.00 0.00 C ATOM 0 H ILE A 55 1.318 -0.726 -7.245 1.00 0.00 H new ATOM 0 HA ILE A 55 1.870 -2.420 -4.898 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.845 -1.229 -5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.043 0.046 -3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.457 -0.010 -4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.369 -1.857 -3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.871 -3.265 -4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.270 -2.527 -3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.239 2.063 -4.620 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.352 1.073 -6.094 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.171 1.130 -5.175 1.00 0.00 H new ATOM 923 N TYR A 56 0.522 -4.374 -5.855 1.00 0.00 N ATOM 924 CA TYR A 56 0.030 -5.564 -6.536 1.00 0.00 C ATOM 925 C TYR A 56 -0.860 -6.388 -5.613 1.00 0.00 C ATOM 926 O TYR A 56 -0.609 -6.477 -4.409 1.00 0.00 O ATOM 927 CB TYR A 56 1.195 -6.422 -7.035 1.00 0.00 C ATOM 928 CG TYR A 56 1.015 -6.904 -8.456 1.00 0.00 C ATOM 929 CD1 TYR A 56 0.118 -7.924 -8.756 1.00 0.00 C ATOM 930 CD2 TYR A 56 1.735 -6.336 -9.498 1.00 0.00 C ATOM 931 CE1 TYR A 56 -0.053 -8.362 -10.054 1.00 0.00 C ATOM 932 CE2 TYR A 56 1.570 -6.770 -10.799 1.00 0.00 C ATOM 933 CZ TYR A 56 0.676 -7.781 -11.071 1.00 0.00 C ATOM 934 OH TYR A 56 0.506 -8.213 -12.367 1.00 0.00 O ATOM 0 H TYR A 56 0.782 -4.528 -4.881 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.560 -5.238 -7.392 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.117 -5.845 -6.968 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.310 -7.284 -6.378 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.453 -8.380 -7.961 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.436 -5.542 -9.288 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.753 -9.155 -10.272 1.00 0.00 H new ATOM 0 HE2 TYR A 56 2.139 -6.319 -11.598 1.00 0.00 H new ATOM 0 HH TYR A 56 1.092 -7.701 -12.962 1.00 0.00 H new ATOM 944 N HIS A 57 -1.894 -6.994 -6.186 1.00 0.00 N ATOM 945 CA HIS A 57 -2.820 -7.817 -5.419 1.00 0.00 C ATOM 946 C HIS A 57 -3.225 -9.063 -6.205 1.00 0.00 C ATOM 947 O HIS A 57 -3.790 -8.963 -7.295 1.00 0.00 O ATOM 948 CB HIS A 57 -4.070 -7.013 -5.019 1.00 0.00 C ATOM 949 CG HIS A 57 -4.591 -6.087 -6.084 1.00 0.00 C ATOM 950 ND1 HIS A 57 -5.346 -4.968 -5.798 1.00 0.00 N ATOM 951 CD2 HIS A 57 -4.468 -6.118 -7.435 1.00 0.00 C ATOM 952 CE1 HIS A 57 -5.667 -4.355 -6.923 1.00 0.00 C ATOM 953 NE2 HIS A 57 -5.145 -5.031 -7.929 1.00 0.00 N ATOM 0 H HIS A 57 -2.112 -6.930 -7.180 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.306 -8.133 -4.511 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.861 -7.711 -4.745 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.839 -6.427 -4.129 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.937 -6.859 -8.013 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.256 -3.454 -7.006 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.231 -4.785 -8.915 1.00 0.00 H new ATOM 962 N LEU A 58 -2.924 -10.235 -5.639 1.00 0.00 N ATOM 963 CA LEU A 58 -3.249 -11.514 -6.272 1.00 0.00 C ATOM 964 C LEU A 58 -2.424 -11.731 -7.544 1.00 0.00 C ATOM 965 O LEU A 58 -1.545 -10.932 -7.872 1.00 0.00 O ATOM 966 CB LEU A 58 -4.752 -11.596 -6.587 1.00 0.00 C ATOM 967 CG LEU A 58 -5.688 -11.465 -5.378 1.00 0.00 C ATOM 968 CD1 LEU A 58 -5.941 -10.001 -5.045 1.00 0.00 C ATOM 969 CD2 LEU A 58 -7.004 -12.185 -5.641 1.00 0.00 C ATOM 0 H LEU A 58 -2.453 -10.323 -4.739 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.996 -12.307 -5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.999 -10.812 -7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.951 -12.549 -7.077 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.202 -11.931 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.607 -9.933 -4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.995 -9.512 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.402 -9.508 -5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.655 -12.082 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.490 -11.748 -6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.810 -13.242 -5.825 1.00 0.00 H new ATOM 981 N HIS A 59 -2.714 -12.825 -8.250 1.00 0.00 N ATOM 982 CA HIS A 59 -2.008 -13.169 -9.487 1.00 0.00 C ATOM 983 C HIS A 59 -2.034 -12.014 -10.501 1.00 0.00 C ATOM 984 O HIS A 59 -2.901 -11.141 -10.440 1.00 0.00 O ATOM 985 CB HIS A 59 -2.626 -14.426 -10.116 1.00 0.00 C ATOM 986 CG HIS A 59 -4.114 -14.341 -10.323 1.00 0.00 C ATOM 987 ND1 HIS A 59 -4.871 -15.400 -10.778 1.00 0.00 N ATOM 988 CD2 HIS A 59 -4.980 -13.318 -10.130 1.00 0.00 C ATOM 989 CE1 HIS A 59 -6.137 -15.032 -10.856 1.00 0.00 C ATOM 990 NE2 HIS A 59 -6.230 -13.773 -10.468 1.00 0.00 N ATOM 0 H HIS A 59 -3.438 -13.493 -7.984 1.00 0.00 H new ATOM 0 HA HIS A 59 -0.967 -13.362 -9.227 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.146 -14.612 -11.077 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.407 -15.283 -9.479 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -4.733 -12.328 -9.776 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.957 -15.655 -11.182 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -7.091 -13.227 -10.426 1.00 0.00 H new ATOM 999 N PRO A 60 -1.071 -11.997 -11.451 1.00 0.00 N ATOM 1000 CA PRO A 60 -0.978 -10.951 -12.485 1.00 0.00 C ATOM 1001 C PRO A 60 -2.125 -10.989 -13.499 1.00 0.00 C ATOM 1002 O PRO A 60 -2.196 -10.140 -14.387 1.00 0.00 O ATOM 1003 CB PRO A 60 0.348 -11.245 -13.196 1.00 0.00 C ATOM 1004 CG PRO A 60 1.068 -12.211 -12.316 1.00 0.00 C ATOM 1005 CD PRO A 60 0.004 -12.986 -11.595 1.00 0.00 C ATOM 0 HA PRO A 60 -1.034 -9.961 -12.032 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.177 -11.668 -14.186 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.929 -10.333 -13.335 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.704 -12.874 -12.903 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.716 -11.689 -11.612 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.320 -13.857 -12.165 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.352 -13.350 -10.628 1.00 0.00 H new ATOM 1013 N THR A 61 -3.024 -11.969 -13.363 1.00 0.00 N ATOM 1014 CA THR A 61 -4.167 -12.096 -14.270 1.00 0.00 C ATOM 1015 C THR A 61 -5.081 -10.860 -14.209 1.00 0.00 C ATOM 1016 O THR A 61 -5.981 -10.710 -15.036 1.00 0.00 O ATOM 1017 CB THR A 61 -4.971 -13.359 -13.939 1.00 0.00 C ATOM 1018 OG1 THR A 61 -4.136 -14.363 -13.381 1.00 0.00 O ATOM 1019 CG2 THR A 61 -5.662 -13.962 -15.144 1.00 0.00 C ATOM 0 H THR A 61 -2.982 -12.683 -12.636 1.00 0.00 H new ATOM 0 HA THR A 61 -3.775 -12.173 -15.284 1.00 0.00 H new ATOM 0 HB THR A 61 -5.728 -13.034 -13.225 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.669 -15.163 -13.192 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.213 -14.852 -14.840 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.354 -13.235 -15.568 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.917 -14.234 -15.892 1.00 0.00 H new ATOM 1027 N PHE A 62 -4.839 -9.974 -13.233 1.00 0.00 N ATOM 1028 CA PHE A 62 -5.634 -8.756 -13.078 1.00 0.00 C ATOM 1029 C PHE A 62 -5.503 -7.861 -14.312 1.00 0.00 C ATOM 1030 O PHE A 62 -4.426 -7.762 -14.903 1.00 0.00 O ATOM 1031 CB PHE A 62 -5.174 -7.988 -11.832 1.00 0.00 C ATOM 1032 CG PHE A 62 -6.297 -7.489 -10.960 1.00 0.00 C ATOM 1033 CD1 PHE A 62 -7.174 -6.518 -11.421 1.00 0.00 C ATOM 1034 CD2 PHE A 62 -6.469 -7.985 -9.678 1.00 0.00 C ATOM 1035 CE1 PHE A 62 -8.201 -6.055 -10.619 1.00 0.00 C ATOM 1036 CE2 PHE A 62 -7.493 -7.525 -8.871 1.00 0.00 C ATOM 1037 CZ PHE A 62 -8.360 -6.559 -9.343 1.00 0.00 C ATOM 0 H PHE A 62 -4.098 -10.081 -12.541 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.680 -9.041 -12.965 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.529 -8.636 -11.238 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.569 -7.138 -12.147 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.053 -6.119 -12.417 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.794 -8.741 -9.304 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.878 -5.300 -10.990 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.615 -7.920 -7.873 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.161 -6.198 -8.715 1.00 0.00 H new ATOM 1047 N ALA A 63 -6.601 -7.210 -14.692 1.00 0.00 N ATOM 1048 CA ALA A 63 -6.607 -6.323 -15.855 1.00 0.00 C ATOM 1049 C ALA A 63 -5.586 -5.194 -15.701 1.00 0.00 C ATOM 1050 O ALA A 63 -4.889 -4.845 -16.656 1.00 0.00 O ATOM 1051 CB ALA A 63 -7.999 -5.750 -16.078 1.00 0.00 C ATOM 0 H ALA A 63 -7.498 -7.280 -14.212 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.324 -6.914 -16.726 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.987 -5.092 -16.947 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.704 -6.563 -16.249 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.304 -5.183 -15.198 1.00 0.00 H new ATOM 1057 N ASN A 64 -5.502 -4.626 -14.496 1.00 0.00 N ATOM 1058 CA ASN A 64 -4.565 -3.539 -14.223 1.00 0.00 C ATOM 1059 C ASN A 64 -4.206 -3.483 -12.737 1.00 0.00 C ATOM 1060 O ASN A 64 -5.092 -3.475 -11.882 1.00 0.00 O ATOM 1061 CB ASN A 64 -5.164 -2.198 -14.663 1.00 0.00 C ATOM 1062 CG ASN A 64 -4.241 -1.411 -15.579 1.00 0.00 C ATOM 1063 OD1 ASN A 64 -3.065 -1.741 -15.732 1.00 0.00 O ATOM 1064 ND2 ASN A 64 -4.771 -0.358 -16.194 1.00 0.00 N ATOM 0 H ASN A 64 -6.072 -4.902 -13.696 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.655 -3.730 -14.791 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.109 -2.378 -15.175 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.389 -1.599 -13.781 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.198 0.209 -16.819 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.750 -0.117 -16.041 1.00 0.00 H new ATOM 1071 N PRO A 65 -2.897 -3.437 -12.408 1.00 0.00 N ATOM 1072 CA PRO A 65 -2.435 -3.374 -11.017 1.00 0.00 C ATOM 1073 C PRO A 65 -2.638 -1.987 -10.404 1.00 0.00 C ATOM 1074 O PRO A 65 -3.281 -1.123 -11.005 1.00 0.00 O ATOM 1075 CB PRO A 65 -0.945 -3.705 -11.129 1.00 0.00 C ATOM 1076 CG PRO A 65 -0.560 -3.231 -12.486 1.00 0.00 C ATOM 1077 CD PRO A 65 -1.769 -3.439 -13.363 1.00 0.00 C ATOM 0 HA PRO A 65 -2.986 -4.053 -10.366 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.367 -3.202 -10.354 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.766 -4.774 -11.016 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.271 -2.180 -12.464 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.296 -3.789 -12.865 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.869 -2.645 -14.103 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.710 -4.379 -13.911 1.00 0.00 H new ATOM 1085 N ASN A 66 -2.089 -1.777 -9.207 1.00 0.00 N ATOM 1086 CA ASN A 66 -2.215 -0.495 -8.521 1.00 0.00 C ATOM 1087 C ASN A 66 -0.883 0.254 -8.507 1.00 0.00 C ATOM 1088 O ASN A 66 0.186 -0.357 -8.523 1.00 0.00 O ATOM 1089 CB ASN A 66 -2.713 -0.705 -7.087 1.00 0.00 C ATOM 1090 CG ASN A 66 -4.227 -0.633 -6.971 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -4.920 -0.278 -7.924 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -4.750 -0.973 -5.796 1.00 0.00 N ATOM 0 H ASN A 66 -1.554 -2.478 -8.695 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.941 0.108 -9.066 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.372 -1.676 -6.728 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.268 0.050 -6.439 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.761 -0.945 -5.660 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.140 -1.262 -5.031 1.00 0.00 H new ATOM 1099 N ARG A 67 -0.959 1.583 -8.477 1.00 0.00 N ATOM 1100 CA ARG A 67 0.236 2.422 -8.458 1.00 0.00 C ATOM 1101 C ARG A 67 -0.026 3.733 -7.719 1.00 0.00 C ATOM 1102 O ARG A 67 -1.171 4.180 -7.615 1.00 0.00 O ATOM 1103 CB ARG A 67 0.713 2.707 -9.885 1.00 0.00 C ATOM 1104 CG ARG A 67 -0.318 3.414 -10.751 1.00 0.00 C ATOM 1105 CD ARG A 67 -0.862 2.497 -11.838 1.00 0.00 C ATOM 1106 NE ARG A 67 -1.698 3.222 -12.794 1.00 0.00 N ATOM 1107 CZ ARG A 67 -1.987 2.779 -14.020 1.00 0.00 C ATOM 1108 NH1 ARG A 67 -1.513 1.613 -14.452 1.00 0.00 N ATOM 1109 NH2 ARG A 67 -2.759 3.509 -14.819 1.00 0.00 N ATOM 0 H ARG A 67 -1.837 2.102 -8.465 1.00 0.00 H new ATOM 0 HA ARG A 67 1.018 1.880 -7.926 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.615 3.317 -9.841 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.988 1.765 -10.360 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.139 3.765 -10.126 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.133 4.294 -11.209 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.032 2.026 -12.365 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.444 1.697 -11.381 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.084 4.121 -12.507 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.921 1.046 -13.844 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.741 1.286 -15.391 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.128 4.403 -14.495 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.983 3.175 -15.756 1.00 0.00 H new ATOM 1123 N THR A 68 1.041 4.342 -7.205 1.00 0.00 N ATOM 1124 CA THR A 68 0.931 5.600 -6.470 1.00 0.00 C ATOM 1125 C THR A 68 1.956 6.612 -6.972 1.00 0.00 C ATOM 1126 O THR A 68 3.163 6.353 -6.954 1.00 0.00 O ATOM 1127 CB THR A 68 1.125 5.368 -4.965 1.00 0.00 C ATOM 1128 OG1 THR A 68 1.240 3.987 -4.669 1.00 0.00 O ATOM 1129 CG2 THR A 68 -0.006 5.923 -4.122 1.00 0.00 C ATOM 0 H THR A 68 1.993 3.984 -7.284 1.00 0.00 H new ATOM 0 HA THR A 68 -0.069 5.999 -6.640 1.00 0.00 H new ATOM 0 HB THR A 68 2.044 5.899 -4.715 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.894 3.816 -3.768 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.194 5.725 -3.069 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.084 6.999 -4.281 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.942 5.445 -4.409 1.00 0.00 H new ATOM 1137 N PHE A 69 1.466 7.769 -7.414 1.00 0.00 N ATOM 1138 CA PHE A 69 2.327 8.836 -7.918 1.00 0.00 C ATOM 1139 C PHE A 69 1.771 10.204 -7.529 1.00 0.00 C ATOM 1140 O PHE A 69 2.453 10.999 -6.880 1.00 0.00 O ATOM 1141 CB PHE A 69 2.464 8.738 -9.443 1.00 0.00 C ATOM 1142 CG PHE A 69 3.529 9.634 -10.021 1.00 0.00 C ATOM 1143 CD1 PHE A 69 3.332 11.005 -10.108 1.00 0.00 C ATOM 1144 CD2 PHE A 69 4.725 9.105 -10.482 1.00 0.00 C ATOM 1145 CE1 PHE A 69 4.307 11.827 -10.641 1.00 0.00 C ATOM 1146 CE2 PHE A 69 5.702 9.922 -11.015 1.00 0.00 C ATOM 1147 CZ PHE A 69 5.494 11.285 -11.096 1.00 0.00 C ATOM 0 H PHE A 69 0.471 7.992 -7.433 1.00 0.00 H new ATOM 0 HA PHE A 69 3.313 8.720 -7.468 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.687 7.705 -9.712 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.506 8.987 -9.900 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.406 11.435 -9.755 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.894 8.040 -10.423 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.141 12.892 -10.702 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.629 9.495 -11.369 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.257 11.925 -11.514 1.00 0.00 H new ATOM 1157 N THR A 70 0.527 10.466 -7.929 1.00 0.00 N ATOM 1158 CA THR A 70 -0.134 11.733 -7.629 1.00 0.00 C ATOM 1159 C THR A 70 -1.650 11.532 -7.473 1.00 0.00 C ATOM 1160 O THR A 70 -2.448 12.398 -7.840 1.00 0.00 O ATOM 1161 CB THR A 70 0.170 12.756 -8.735 1.00 0.00 C ATOM 1162 OG1 THR A 70 -0.490 13.986 -8.491 1.00 0.00 O ATOM 1163 CG2 THR A 70 -0.238 12.289 -10.116 1.00 0.00 C ATOM 0 H THR A 70 -0.045 9.813 -8.464 1.00 0.00 H new ATOM 0 HA THR A 70 0.251 12.115 -6.684 1.00 0.00 H new ATOM 0 HB THR A 70 1.253 12.879 -8.711 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.451 13.826 -8.384 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.006 13.060 -10.847 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.297 11.372 -10.363 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.311 12.098 -10.133 1.00 0.00 H new ATOM 1171 N ASP A 71 -2.039 10.376 -6.928 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.451 10.048 -6.724 1.00 0.00 C ATOM 1173 C ASP A 71 -3.750 9.794 -5.244 1.00 0.00 C ATOM 1174 O ASP A 71 -2.841 9.515 -4.460 1.00 0.00 O ATOM 1175 CB ASP A 71 -3.826 8.810 -7.548 1.00 0.00 C ATOM 1176 CG ASP A 71 -4.265 9.158 -8.960 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -3.547 9.927 -9.633 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -5.325 8.658 -9.392 1.00 0.00 O ATOM 0 H ASP A 71 -1.393 9.650 -6.619 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.047 10.899 -7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.971 8.136 -7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.629 8.272 -7.044 1.00 0.00 H new ATOM 1183 N PRO A 72 -5.036 9.885 -4.847 1.00 0.00 N ATOM 1184 CA PRO A 72 -5.462 9.660 -3.456 1.00 0.00 C ATOM 1185 C PRO A 72 -5.262 8.208 -3.011 1.00 0.00 C ATOM 1186 O PRO A 72 -4.937 7.342 -3.826 1.00 0.00 O ATOM 1187 CB PRO A 72 -6.954 10.015 -3.474 1.00 0.00 C ATOM 1188 CG PRO A 72 -7.371 9.834 -4.893 1.00 0.00 C ATOM 1189 CD PRO A 72 -6.178 10.212 -5.723 1.00 0.00 C ATOM 0 HA PRO A 72 -4.879 10.255 -2.753 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.523 9.366 -2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.121 11.039 -3.140 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.669 8.803 -5.084 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.228 10.463 -5.132 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.143 9.650 -6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.191 11.269 -5.988 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.455 7.921 -1.706 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.294 6.566 -1.152 1.00 0.00 C ATOM 1199 C PRO A 73 -6.219 5.542 -1.811 1.00 0.00 C ATOM 1200 O PRO A 73 -7.201 5.903 -2.462 1.00 0.00 O ATOM 1201 CB PRO A 73 -5.654 6.729 0.330 1.00 0.00 C ATOM 1202 CG PRO A 73 -6.405 8.013 0.413 1.00 0.00 C ATOM 1203 CD PRO A 73 -5.841 8.890 -0.665 1.00 0.00 C ATOM 0 HA PRO A 73 -4.286 6.187 -1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.261 5.895 0.681 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.759 6.756 0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.473 7.851 0.266 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.285 8.473 1.394 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.578 9.605 -1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.986 9.466 -0.312 1.00 0.00 H new ATOM 1211 N PHE A 74 -5.894 4.260 -1.635 1.00 0.00 N ATOM 1212 CA PHE A 74 -6.686 3.175 -2.209 1.00 0.00 C ATOM 1213 C PHE A 74 -7.460 2.420 -1.129 1.00 0.00 C ATOM 1214 O PHE A 74 -7.079 2.426 0.041 1.00 0.00 O ATOM 1215 CB PHE A 74 -5.781 2.212 -2.980 1.00 0.00 C ATOM 1216 CG PHE A 74 -5.848 2.396 -4.468 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -5.047 3.334 -5.100 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -6.715 1.635 -5.235 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -5.109 3.508 -6.468 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -6.782 1.804 -6.604 1.00 0.00 C ATOM 1221 CZ PHE A 74 -5.978 2.744 -7.221 1.00 0.00 C ATOM 0 H PHE A 74 -5.085 3.949 -1.098 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.409 3.614 -2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -4.751 2.350 -2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.060 1.187 -2.735 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.367 3.936 -4.516 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.346 0.901 -4.757 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.478 4.241 -6.949 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.461 1.203 -7.191 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.030 2.881 -8.291 1.00 0.00 H new ATOM 1231 N ARG A 75 -8.551 1.773 -1.540 1.00 0.00 N ATOM 1232 CA ARG A 75 -9.394 1.012 -0.621 1.00 0.00 C ATOM 1233 C ARG A 75 -10.405 0.167 -1.393 1.00 0.00 C ATOM 1234 O ARG A 75 -11.209 0.701 -2.159 1.00 0.00 O ATOM 1235 CB ARG A 75 -10.134 1.962 0.325 1.00 0.00 C ATOM 1236 CG ARG A 75 -9.822 1.734 1.795 1.00 0.00 C ATOM 1237 CD ARG A 75 -10.370 0.401 2.283 1.00 0.00 C ATOM 1238 NE ARG A 75 -9.960 0.108 3.654 1.00 0.00 N ATOM 1239 CZ ARG A 75 -10.393 -0.942 4.354 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -11.260 -1.799 3.822 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -9.956 -1.137 5.592 1.00 0.00 N ATOM 0 H ARG A 75 -8.872 1.762 -2.508 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.754 0.349 -0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.879 2.989 0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.207 1.850 0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -8.743 1.762 1.947 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.249 2.543 2.388 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.458 0.414 2.225 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.025 -0.396 1.624 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.302 0.745 4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.600 -1.656 2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.585 -2.599 4.365 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.290 -0.485 6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.286 -1.939 6.129 1.00 0.00 H new ATOM 1255 N ILE A 76 -10.364 -1.148 -1.188 1.00 0.00 N ATOM 1256 CA ILE A 76 -11.285 -2.051 -1.869 1.00 0.00 C ATOM 1257 C ILE A 76 -11.412 -3.381 -1.125 1.00 0.00 C ATOM 1258 O ILE A 76 -10.428 -4.098 -0.936 1.00 0.00 O ATOM 1259 CB ILE A 76 -10.861 -2.299 -3.338 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -11.998 -2.972 -4.113 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -9.586 -3.132 -3.410 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -13.246 -2.120 -4.211 1.00 0.00 C ATOM 0 H ILE A 76 -9.706 -1.609 -0.559 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.260 -1.564 -1.875 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.651 -1.334 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -11.651 -3.211 -5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.249 -3.916 -3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.313 -3.290 -4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.779 -2.607 -2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.753 -4.096 -2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -14.010 -2.657 -4.772 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -13.617 -1.902 -3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.010 -1.186 -4.722 1.00 0.00 H new ATOM 1274 N GLU A 77 -12.633 -3.695 -0.700 1.00 0.00 N ATOM 1275 CA GLU A 77 -12.904 -4.927 0.025 1.00 0.00 C ATOM 1276 C GLU A 77 -14.038 -5.704 -0.639 1.00 0.00 C ATOM 1277 O GLU A 77 -15.192 -5.272 -0.622 1.00 0.00 O ATOM 1278 CB GLU A 77 -13.266 -4.612 1.477 1.00 0.00 C ATOM 1279 CG GLU A 77 -13.584 -5.843 2.305 1.00 0.00 C ATOM 1280 CD GLU A 77 -13.998 -5.501 3.724 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -15.099 -4.941 3.901 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -13.218 -5.787 4.655 1.00 0.00 O ATOM 0 H GLU A 77 -13.453 -3.107 -0.848 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.005 -5.543 0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.438 -4.076 1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.126 -3.943 1.491 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.384 -6.404 1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.710 -6.494 2.332 1.00 0.00 H new ATOM 1289 N GLU A 78 -13.700 -6.850 -1.223 1.00 0.00 N ATOM 1290 CA GLU A 78 -14.685 -7.686 -1.897 1.00 0.00 C ATOM 1291 C GLU A 78 -14.685 -9.104 -1.334 1.00 0.00 C ATOM 1292 O GLU A 78 -13.725 -9.527 -0.682 1.00 0.00 O ATOM 1293 CB GLU A 78 -14.406 -7.722 -3.400 1.00 0.00 C ATOM 1294 CG GLU A 78 -15.663 -7.687 -4.255 1.00 0.00 C ATOM 1295 CD GLU A 78 -15.705 -8.800 -5.282 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -14.739 -8.924 -6.065 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -16.702 -9.552 -5.304 1.00 0.00 O ATOM 0 H GLU A 78 -12.750 -7.220 -1.242 1.00 0.00 H new ATOM 0 HA GLU A 78 -15.669 -7.251 -1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.774 -6.874 -3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.842 -8.625 -3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.538 -7.761 -3.610 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.723 -6.726 -4.765 1.00 0.00 H new ATOM 1304 N GLN A 79 -15.768 -9.835 -1.593 1.00 0.00 N ATOM 1305 CA GLN A 79 -15.899 -11.210 -1.120 1.00 0.00 C ATOM 1306 C GLN A 79 -16.012 -12.184 -2.294 1.00 0.00 C ATOM 1307 O GLN A 79 -15.985 -11.774 -3.457 1.00 0.00 O ATOM 1308 CB GLN A 79 -17.122 -11.342 -0.204 1.00 0.00 C ATOM 1309 CG GLN A 79 -18.444 -11.066 -0.902 1.00 0.00 C ATOM 1310 CD GLN A 79 -19.410 -12.231 -0.797 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -19.301 -13.211 -1.535 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -20.362 -12.133 0.125 1.00 0.00 N ATOM 0 H GLN A 79 -16.568 -9.497 -2.128 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.003 -11.461 -0.553 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.145 -12.349 0.213 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.013 -10.653 0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.902 -10.178 -0.467 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -18.257 -10.846 -1.953 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -20.416 -11.303 0.716 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -21.038 -12.888 0.242 1.00 0.00 H new ATOM 1321 N GLY A 80 -16.131 -13.473 -1.980 1.00 0.00 N ATOM 1322 CA GLY A 80 -16.237 -14.488 -3.007 1.00 0.00 C ATOM 1323 C GLY A 80 -14.943 -15.257 -3.189 1.00 0.00 C ATOM 1324 O GLY A 80 -14.015 -15.124 -2.391 1.00 0.00 O ATOM 0 H GLY A 80 -16.156 -13.830 -1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.037 -15.182 -2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.515 -14.019 -3.951 1.00 0.00 H new ATOM 1328 N TRP A 81 -14.884 -16.066 -4.239 1.00 0.00 N ATOM 1329 CA TRP A 81 -13.700 -16.868 -4.533 1.00 0.00 C ATOM 1330 C TRP A 81 -12.513 -15.980 -4.922 1.00 0.00 C ATOM 1331 O TRP A 81 -12.582 -15.224 -5.893 1.00 0.00 O ATOM 1332 CB TRP A 81 -14.000 -17.871 -5.656 1.00 0.00 C ATOM 1333 CG TRP A 81 -14.354 -17.228 -6.966 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -15.473 -16.493 -7.250 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -13.582 -17.260 -8.174 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -15.443 -16.071 -8.557 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -14.293 -16.532 -9.146 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -12.361 -17.838 -8.527 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -13.820 -16.364 -10.445 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -11.891 -17.670 -9.817 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -12.621 -16.939 -10.762 1.00 0.00 C ATOM 0 H TRP A 81 -15.647 -16.185 -4.906 1.00 0.00 H new ATOM 0 HA TRP A 81 -13.433 -17.416 -3.629 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -13.130 -18.512 -5.800 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -14.822 -18.515 -5.345 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -16.265 -16.276 -6.548 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -16.159 -15.507 -9.015 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -11.793 -18.406 -7.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -14.380 -15.800 -11.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -10.946 -18.110 -10.100 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -12.229 -16.827 -11.762 1.00 0.00 H new ATOM 1352 N GLY A 82 -11.427 -16.076 -4.155 1.00 0.00 N ATOM 1353 CA GLY A 82 -10.244 -15.277 -4.434 1.00 0.00 C ATOM 1354 C GLY A 82 -9.233 -15.303 -3.302 1.00 0.00 C ATOM 1355 O GLY A 82 -9.581 -15.043 -2.148 1.00 0.00 O ATOM 0 H GLY A 82 -11.346 -16.692 -3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.771 -15.643 -5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.544 -14.246 -4.623 1.00 0.00 H new ATOM 1359 N GLY A 83 -7.980 -15.617 -3.630 1.00 0.00 N ATOM 1360 CA GLY A 83 -6.933 -15.670 -2.622 1.00 0.00 C ATOM 1361 C GLY A 83 -5.552 -15.863 -3.221 1.00 0.00 C ATOM 1362 O GLY A 83 -5.225 -16.951 -3.699 1.00 0.00 O ATOM 0 H GLY A 83 -7.672 -15.836 -4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.947 -14.748 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.142 -16.486 -1.930 1.00 0.00 H new ATOM 1366 N PHE A 84 -4.740 -14.805 -3.193 1.00 0.00 N ATOM 1367 CA PHE A 84 -3.382 -14.859 -3.736 1.00 0.00 C ATOM 1368 C PHE A 84 -2.472 -13.839 -3.043 1.00 0.00 C ATOM 1369 O PHE A 84 -2.949 -12.935 -2.356 1.00 0.00 O ATOM 1370 CB PHE A 84 -3.404 -14.606 -5.246 1.00 0.00 C ATOM 1371 CG PHE A 84 -3.635 -15.845 -6.065 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -2.676 -16.847 -6.120 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -4.813 -16.012 -6.777 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -2.888 -17.988 -6.870 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -5.029 -17.152 -7.528 1.00 0.00 C ATOM 1376 CZ PHE A 84 -4.067 -18.141 -7.575 1.00 0.00 C ATOM 0 H PHE A 84 -4.999 -13.900 -2.800 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.982 -15.855 -3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.186 -13.881 -5.472 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.457 -14.156 -5.544 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.753 -16.733 -5.570 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.570 -15.243 -6.744 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.133 -18.760 -6.905 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.951 -17.269 -8.078 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.235 -19.032 -8.161 1.00 0.00 H new ATOM 1386 N PRO A 85 -1.140 -13.982 -3.200 1.00 0.00 N ATOM 1387 CA PRO A 85 -0.158 -13.077 -2.576 1.00 0.00 C ATOM 1388 C PRO A 85 -0.317 -11.611 -3.002 1.00 0.00 C ATOM 1389 O PRO A 85 -0.964 -11.309 -4.006 1.00 0.00 O ATOM 1390 CB PRO A 85 1.190 -13.621 -3.061 1.00 0.00 C ATOM 1391 CG PRO A 85 0.920 -15.033 -3.452 1.00 0.00 C ATOM 1392 CD PRO A 85 -0.484 -15.048 -3.979 1.00 0.00 C ATOM 0 HA PRO A 85 -0.275 -13.062 -1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.568 -13.044 -3.905 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.943 -13.567 -2.275 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.626 -15.371 -4.210 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.025 -15.702 -2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.516 -14.844 -5.049 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.963 -16.015 -3.824 1.00 0.00 H new ATOM 1400 N LEU A 86 0.299 -10.715 -2.227 1.00 0.00 N ATOM 1401 CA LEU A 86 0.262 -9.276 -2.497 1.00 0.00 C ATOM 1402 C LEU A 86 1.684 -8.718 -2.544 1.00 0.00 C ATOM 1403 O LEU A 86 2.632 -9.383 -2.123 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.532 -8.525 -1.416 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.835 -9.181 -0.938 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.700 -9.606 -2.116 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -1.539 -10.365 -0.026 1.00 0.00 C ATOM 0 H LEU A 86 0.836 -10.966 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.231 -9.131 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.117 -8.387 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.771 -7.532 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.394 -8.441 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.616 -10.067 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.951 -8.732 -2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.154 -10.323 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.476 -10.815 0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.951 -11.105 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.978 -10.023 0.843 1.00 0.00 H new ATOM 1419 N ASP A 87 1.827 -7.493 -3.046 1.00 0.00 N ATOM 1420 CA ASP A 87 3.138 -6.852 -3.134 1.00 0.00 C ATOM 1421 C ASP A 87 3.007 -5.328 -3.165 1.00 0.00 C ATOM 1422 O ASP A 87 2.254 -4.782 -3.966 1.00 0.00 O ATOM 1423 CB ASP A 87 3.882 -7.338 -4.381 1.00 0.00 C ATOM 1424 CG ASP A 87 5.259 -6.715 -4.518 1.00 0.00 C ATOM 1425 OD1 ASP A 87 6.112 -6.957 -3.638 1.00 0.00 O ATOM 1426 OD2 ASP A 87 5.481 -5.982 -5.504 1.00 0.00 O ATOM 0 H ASP A 87 1.055 -6.926 -3.397 1.00 0.00 H new ATOM 0 HA ASP A 87 3.707 -7.127 -2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.980 -8.423 -4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.291 -7.104 -5.267 1.00 0.00 H new ATOM 1431 N ILE A 88 3.748 -4.650 -2.291 1.00 0.00 N ATOM 1432 CA ILE A 88 3.711 -3.187 -2.225 1.00 0.00 C ATOM 1433 C ILE A 88 5.124 -2.617 -2.097 1.00 0.00 C ATOM 1434 O ILE A 88 5.813 -2.868 -1.109 1.00 0.00 O ATOM 1435 CB ILE A 88 2.852 -2.692 -1.038 1.00 0.00 C ATOM 1436 CG1 ILE A 88 1.522 -3.455 -0.977 1.00 0.00 C ATOM 1437 CG2 ILE A 88 2.602 -1.195 -1.152 1.00 0.00 C ATOM 1438 CD1 ILE A 88 1.563 -4.677 -0.084 1.00 0.00 C ATOM 0 H ILE A 88 4.380 -5.087 -1.620 1.00 0.00 H new ATOM 0 HA ILE A 88 3.258 -2.835 -3.152 1.00 0.00 H new ATOM 0 HB ILE A 88 3.399 -2.883 -0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.743 -2.781 -0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.242 -3.761 -1.985 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.996 -0.862 -0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.555 -0.665 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.076 -0.984 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.588 -5.165 -0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.319 -5.371 -0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.811 -4.376 0.934 1.00 0.00 H new ATOM 1450 N SER A 89 5.552 -1.852 -3.103 1.00 0.00 N ATOM 1451 CA SER A 89 6.886 -1.257 -3.097 1.00 0.00 C ATOM 1452 C SER A 89 6.821 0.258 -3.227 1.00 0.00 C ATOM 1453 O SER A 89 5.945 0.804 -3.899 1.00 0.00 O ATOM 1454 CB SER A 89 7.741 -1.837 -4.229 1.00 0.00 C ATOM 1455 OG SER A 89 9.120 -1.584 -4.010 1.00 0.00 O ATOM 0 H SER A 89 4.995 -1.632 -3.929 1.00 0.00 H new ATOM 0 HA SER A 89 7.346 -1.499 -2.139 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.573 -2.911 -4.302 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.435 -1.401 -5.180 1.00 0.00 H new ATOM 0 HG SER A 89 9.418 -0.863 -4.602 1.00 0.00 H new ATOM 1461 N VAL A 90 7.764 0.931 -2.574 1.00 0.00 N ATOM 1462 CA VAL A 90 7.836 2.385 -2.603 1.00 0.00 C ATOM 1463 C VAL A 90 9.200 2.852 -3.105 1.00 0.00 C ATOM 1464 O VAL A 90 10.222 2.230 -2.813 1.00 0.00 O ATOM 1465 CB VAL A 90 7.580 2.986 -1.202 1.00 0.00 C ATOM 1466 CG1 VAL A 90 7.227 4.462 -1.306 1.00 0.00 C ATOM 1467 CG2 VAL A 90 6.480 2.222 -0.474 1.00 0.00 C ATOM 0 H VAL A 90 8.493 0.487 -2.015 1.00 0.00 H new ATOM 0 HA VAL A 90 7.061 2.732 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 90 8.499 2.892 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.051 4.865 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.050 5.001 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.327 4.579 -1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.319 2.664 0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.557 2.275 -1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.776 1.179 -0.358 1.00 0.00 H new ATOM 1477 N PHE A 91 9.208 3.954 -3.852 1.00 0.00 N ATOM 1478 CA PHE A 91 10.445 4.520 -4.384 1.00 0.00 C ATOM 1479 C PHE A 91 10.438 6.037 -4.231 1.00 0.00 C ATOM 1480 O PHE A 91 9.375 6.658 -4.161 1.00 0.00 O ATOM 1481 CB PHE A 91 10.640 4.138 -5.858 1.00 0.00 C ATOM 1482 CG PHE A 91 11.009 2.695 -6.075 1.00 0.00 C ATOM 1483 CD1 PHE A 91 10.052 1.695 -5.974 1.00 0.00 C ATOM 1484 CD2 PHE A 91 12.311 2.339 -6.387 1.00 0.00 C ATOM 1485 CE1 PHE A 91 10.389 0.370 -6.179 1.00 0.00 C ATOM 1486 CE2 PHE A 91 12.653 1.017 -6.595 1.00 0.00 C ATOM 1487 CZ PHE A 91 11.690 0.031 -6.491 1.00 0.00 C ATOM 0 H PHE A 91 8.368 4.474 -4.103 1.00 0.00 H new ATOM 0 HA PHE A 91 11.278 4.108 -3.814 1.00 0.00 H new ATOM 0 HB2 PHE A 91 9.720 4.353 -6.403 1.00 0.00 H new ATOM 0 HB3 PHE A 91 11.419 4.769 -6.286 1.00 0.00 H new ATOM 0 HD1 PHE A 91 9.032 1.955 -5.732 1.00 0.00 H new ATOM 0 HD2 PHE A 91 13.068 3.105 -6.469 1.00 0.00 H new ATOM 0 HE1 PHE A 91 9.635 -0.399 -6.095 1.00 0.00 H new ATOM 0 HE2 PHE A 91 13.672 0.754 -6.839 1.00 0.00 H new ATOM 0 HZ PHE A 91 11.955 -1.003 -6.654 1.00 0.00 H new ATOM 1497 N LEU A 92 11.628 6.627 -4.166 1.00 0.00 N ATOM 1498 CA LEU A 92 11.771 8.070 -4.001 1.00 0.00 C ATOM 1499 C LEU A 92 13.081 8.560 -4.624 1.00 0.00 C ATOM 1500 O LEU A 92 13.868 7.760 -5.134 1.00 0.00 O ATOM 1501 CB LEU A 92 11.731 8.408 -2.501 1.00 0.00 C ATOM 1502 CG LEU A 92 11.489 9.879 -2.142 1.00 0.00 C ATOM 1503 CD1 LEU A 92 10.372 10.467 -2.994 1.00 0.00 C ATOM 1504 CD2 LEU A 92 11.161 10.014 -0.663 1.00 0.00 C ATOM 0 H LEU A 92 12.513 6.124 -4.226 1.00 0.00 H new ATOM 0 HA LEU A 92 10.950 8.574 -4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.948 7.809 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.676 8.098 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 92 12.402 10.438 -2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.218 11.511 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.646 10.403 -4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 92 9.452 9.908 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.992 11.063 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.263 9.440 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.993 9.635 -0.070 1.00 0.00 H new ATOM 1516 N LEU A 93 13.316 9.871 -4.576 1.00 0.00 N ATOM 1517 CA LEU A 93 14.540 10.454 -5.122 1.00 0.00 C ATOM 1518 C LEU A 93 15.727 10.152 -4.206 1.00 0.00 C ATOM 1519 O LEU A 93 16.862 10.022 -4.668 1.00 0.00 O ATOM 1520 CB LEU A 93 14.392 11.970 -5.310 1.00 0.00 C ATOM 1521 CG LEU A 93 13.616 12.705 -4.210 1.00 0.00 C ATOM 1522 CD1 LEU A 93 14.305 14.014 -3.855 1.00 0.00 C ATOM 1523 CD2 LEU A 93 12.180 12.955 -4.654 1.00 0.00 C ATOM 0 H LEU A 93 12.675 10.549 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 93 14.721 10.004 -6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 93 15.388 12.408 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.895 12.152 -6.263 1.00 0.00 H new ATOM 0 HG LEU A 93 13.597 12.078 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.741 14.522 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.315 13.809 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.354 14.650 -4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.641 13.477 -3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.179 13.564 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.691 12.002 -4.858 1.00 0.00 H new ATOM 1535 N GLU A 94 15.450 10.030 -2.907 1.00 0.00 N ATOM 1536 CA GLU A 94 16.480 9.731 -1.921 1.00 0.00 C ATOM 1537 C GLU A 94 16.342 8.288 -1.436 1.00 0.00 C ATOM 1538 O GLU A 94 15.742 7.453 -2.118 1.00 0.00 O ATOM 1539 CB GLU A 94 16.384 10.709 -0.743 1.00 0.00 C ATOM 1540 CG GLU A 94 16.212 12.162 -1.165 1.00 0.00 C ATOM 1541 CD GLU A 94 17.464 12.736 -1.796 1.00 0.00 C ATOM 1542 OE1 GLU A 94 18.454 12.949 -1.064 1.00 0.00 O ATOM 1543 OE2 GLU A 94 17.459 12.968 -3.024 1.00 0.00 O ATOM 0 H GLU A 94 14.514 10.135 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 94 17.459 9.846 -2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.543 10.422 -0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.284 10.621 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.386 12.236 -1.872 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.941 12.760 -0.295 1.00 0.00 H new ATOM 1550 N LYS A 95 16.903 7.992 -0.266 1.00 0.00 N ATOM 1551 CA LYS A 95 16.840 6.647 0.294 1.00 0.00 C ATOM 1552 C LYS A 95 16.329 6.685 1.731 1.00 0.00 C ATOM 1553 O LYS A 95 17.096 6.513 2.681 1.00 0.00 O ATOM 1554 CB LYS A 95 18.219 5.985 0.234 1.00 0.00 C ATOM 1555 CG LYS A 95 18.687 5.676 -1.180 1.00 0.00 C ATOM 1556 CD LYS A 95 19.342 6.887 -1.831 1.00 0.00 C ATOM 1557 CE LYS A 95 19.257 6.832 -3.353 1.00 0.00 C ATOM 1558 NZ LYS A 95 17.912 6.396 -3.834 1.00 0.00 N ATOM 0 H LYS A 95 17.406 8.666 0.311 1.00 0.00 H new ATOM 0 HA LYS A 95 16.142 6.057 -0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 95 18.947 6.639 0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 95 18.194 5.060 0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.395 4.847 -1.157 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.838 5.353 -1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 95 18.859 7.797 -1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 95 20.388 6.941 -1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 95 19.485 7.816 -3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 95 20.015 6.146 -3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 17.779 6.704 -4.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.845 5.359 -3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 17.175 6.820 -3.235 1.00 0.00 H new ATOM 1572 N ALA A 96 15.025 6.914 1.880 1.00 0.00 N ATOM 1573 CA ALA A 96 14.402 6.978 3.199 1.00 0.00 C ATOM 1574 C ALA A 96 13.400 5.843 3.400 1.00 0.00 C ATOM 1575 O ALA A 96 13.449 5.135 4.405 1.00 0.00 O ATOM 1576 CB ALA A 96 13.720 8.324 3.397 1.00 0.00 C ATOM 0 H ALA A 96 14.380 7.058 1.103 1.00 0.00 H new ATOM 0 HA ALA A 96 15.189 6.865 3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.260 8.357 4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.458 9.122 3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.953 8.459 2.635 1.00 0.00 H new ATOM 1582 N GLY A 97 12.491 5.678 2.437 1.00 0.00 N ATOM 1583 CA GLY A 97 11.488 4.627 2.531 1.00 0.00 C ATOM 1584 C GLY A 97 11.267 3.907 1.213 1.00 0.00 C ATOM 1585 O GLY A 97 10.141 3.525 0.891 1.00 0.00 O ATOM 0 H GLY A 97 12.432 6.252 1.596 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.795 3.905 3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.545 5.059 2.866 1.00 0.00 H new ATOM 1589 N GLU A 98 12.345 3.718 0.452 1.00 0.00 N ATOM 1590 CA GLU A 98 12.271 3.037 -0.838 1.00 0.00 C ATOM 1591 C GLU A 98 12.445 1.526 -0.658 1.00 0.00 C ATOM 1592 O GLU A 98 13.516 0.976 -0.929 1.00 0.00 O ATOM 1593 CB GLU A 98 13.343 3.601 -1.781 1.00 0.00 C ATOM 1594 CG GLU A 98 13.418 2.901 -3.129 1.00 0.00 C ATOM 1595 CD GLU A 98 14.185 3.704 -4.161 1.00 0.00 C ATOM 1596 OE1 GLU A 98 13.763 4.837 -4.468 1.00 0.00 O ATOM 1597 OE2 GLU A 98 15.210 3.198 -4.662 1.00 0.00 O ATOM 0 H GLU A 98 13.282 4.028 0.709 1.00 0.00 H new ATOM 0 HA GLU A 98 11.289 3.211 -1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.146 4.660 -1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.315 3.529 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.894 1.929 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.408 2.716 -3.495 1.00 0.00 H new ATOM 1604 N ARG A 99 11.389 0.862 -0.182 1.00 0.00 N ATOM 1605 CA ARG A 99 11.429 -0.584 0.051 1.00 0.00 C ATOM 1606 C ARG A 99 10.094 -1.252 -0.301 1.00 0.00 C ATOM 1607 O ARG A 99 9.045 -0.606 -0.297 1.00 0.00 O ATOM 1608 CB ARG A 99 11.780 -0.871 1.513 1.00 0.00 C ATOM 1609 CG ARG A 99 13.230 -0.572 1.864 1.00 0.00 C ATOM 1610 CD ARG A 99 13.362 -0.020 3.275 1.00 0.00 C ATOM 1611 NE ARG A 99 14.760 0.056 3.702 1.00 0.00 N ATOM 1612 CZ ARG A 99 15.164 0.594 4.855 1.00 0.00 C ATOM 1613 NH1 ARG A 99 14.283 1.112 5.708 1.00 0.00 N ATOM 1614 NH2 ARG A 99 16.456 0.615 5.157 1.00 0.00 N ATOM 0 H ARG A 99 10.498 1.301 0.049 1.00 0.00 H new ATOM 0 HA ARG A 99 12.197 -1.002 -0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.130 -0.278 2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 99 11.572 -1.919 1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.822 -1.482 1.772 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.637 0.146 1.152 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.914 0.973 3.320 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.805 -0.653 3.966 1.00 0.00 H new ATOM 0 HE ARG A 99 15.471 -0.327 3.079 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.288 1.100 5.483 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.603 1.521 6.586 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.138 0.221 4.509 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.767 1.025 6.037 1.00 0.00 H new ATOM 1628 N LYS A 100 10.150 -2.558 -0.591 1.00 0.00 N ATOM 1629 CA LYS A 100 8.953 -3.330 -0.931 1.00 0.00 C ATOM 1630 C LYS A 100 8.604 -4.322 0.181 1.00 0.00 C ATOM 1631 O LYS A 100 9.487 -4.818 0.880 1.00 0.00 O ATOM 1632 CB LYS A 100 9.153 -4.084 -2.251 1.00 0.00 C ATOM 1633 CG LYS A 100 10.236 -5.154 -2.202 1.00 0.00 C ATOM 1634 CD LYS A 100 11.318 -4.899 -3.242 1.00 0.00 C ATOM 1635 CE LYS A 100 12.590 -4.358 -2.606 1.00 0.00 C ATOM 1636 NZ LYS A 100 13.681 -5.373 -2.583 1.00 0.00 N ATOM 0 H LYS A 100 11.014 -3.101 -0.596 1.00 0.00 H new ATOM 0 HA LYS A 100 8.127 -2.627 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.210 -4.550 -2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.403 -3.366 -3.032 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.683 -5.176 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.789 -6.134 -2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.541 -5.826 -3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.951 -4.189 -3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.925 -3.479 -3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.376 -4.033 -1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.528 -4.962 -2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.373 -6.202 -2.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 13.905 -5.665 -3.556 1.00 0.00 H new ATOM 1650 N ILE A 101 7.308 -4.607 0.333 1.00 0.00 N ATOM 1651 CA ILE A 101 6.835 -5.539 1.353 1.00 0.00 C ATOM 1652 C ILE A 101 5.790 -6.503 0.783 1.00 0.00 C ATOM 1653 O ILE A 101 4.687 -6.089 0.421 1.00 0.00 O ATOM 1654 CB ILE A 101 6.217 -4.800 2.560 1.00 0.00 C ATOM 1655 CG1 ILE A 101 7.157 -3.700 3.063 1.00 0.00 C ATOM 1656 CG2 ILE A 101 5.898 -5.783 3.679 1.00 0.00 C ATOM 1657 CD1 ILE A 101 8.439 -4.226 3.672 1.00 0.00 C ATOM 0 H ILE A 101 6.568 -4.203 -0.241 1.00 0.00 H new ATOM 0 HA ILE A 101 7.708 -6.100 1.686 1.00 0.00 H new ATOM 0 HB ILE A 101 5.288 -4.331 2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.404 -3.038 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.633 -3.098 3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.463 -5.246 4.522 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.188 -6.527 3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.814 -6.280 3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.053 -3.390 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.202 -4.864 4.523 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.986 -4.803 2.927 1.00 0.00 H new ATOM 1669 N PRO A 102 6.126 -7.806 0.700 1.00 0.00 N ATOM 1670 CA PRO A 102 5.219 -8.830 0.181 1.00 0.00 C ATOM 1671 C PRO A 102 4.281 -9.380 1.257 1.00 0.00 C ATOM 1672 O PRO A 102 4.613 -9.370 2.444 1.00 0.00 O ATOM 1673 CB PRO A 102 6.185 -9.914 -0.290 1.00 0.00 C ATOM 1674 CG PRO A 102 7.332 -9.830 0.662 1.00 0.00 C ATOM 1675 CD PRO A 102 7.424 -8.388 1.105 1.00 0.00 C ATOM 0 HA PRO A 102 4.557 -8.447 -0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 102 5.719 -10.899 -0.265 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.507 -9.740 -1.317 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.175 -10.488 1.517 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.258 -10.147 0.182 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.578 -8.310 2.181 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.258 -7.876 0.626 1.00 0.00 H new ATOM 1683 N HIS A 103 3.114 -9.858 0.834 1.00 0.00 N ATOM 1684 CA HIS A 103 2.128 -10.412 1.759 1.00 0.00 C ATOM 1685 C HIS A 103 1.385 -11.591 1.129 1.00 0.00 C ATOM 1686 O HIS A 103 1.522 -11.858 -0.064 1.00 0.00 O ATOM 1687 CB HIS A 103 1.125 -9.328 2.178 1.00 0.00 C ATOM 1688 CG HIS A 103 1.532 -8.566 3.404 1.00 0.00 C ATOM 1689 ND1 HIS A 103 1.015 -7.328 3.726 1.00 0.00 N ATOM 1690 CD2 HIS A 103 2.408 -8.874 4.391 1.00 0.00 C ATOM 1691 CE1 HIS A 103 1.556 -6.909 4.857 1.00 0.00 C ATOM 1692 NE2 HIS A 103 2.403 -7.828 5.281 1.00 0.00 N ATOM 0 H HIS A 103 2.827 -9.873 -0.145 1.00 0.00 H new ATOM 0 HA HIS A 103 2.658 -10.771 2.641 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.996 -8.628 1.353 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.155 -9.793 2.356 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.000 -9.774 4.464 1.00 0.00 H new ATOM 0 HE1 HIS A 103 1.341 -5.973 5.351 1.00 0.00 H new ATOM 0 HE2 HIS A 103 2.963 -7.771 6.132 1.00 0.00 H new ATOM 1701 N ASP A 104 0.590 -12.285 1.941 1.00 0.00 N ATOM 1702 CA ASP A 104 -0.189 -13.426 1.467 1.00 0.00 C ATOM 1703 C ASP A 104 -1.677 -13.180 1.708 1.00 0.00 C ATOM 1704 O ASP A 104 -2.054 -12.588 2.719 1.00 0.00 O ATOM 1705 CB ASP A 104 0.257 -14.707 2.172 1.00 0.00 C ATOM 1706 CG ASP A 104 0.127 -15.932 1.289 1.00 0.00 C ATOM 1707 OD1 ASP A 104 0.857 -16.018 0.277 1.00 0.00 O ATOM 1708 OD2 ASP A 104 -0.707 -16.806 1.607 1.00 0.00 O ATOM 0 H ASP A 104 0.469 -12.076 2.932 1.00 0.00 H new ATOM 0 HA ASP A 104 -0.020 -13.544 0.397 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.294 -14.601 2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.339 -14.848 3.073 1.00 0.00 H new ATOM 1713 N LEU A 105 -2.521 -13.626 0.778 1.00 0.00 N ATOM 1714 CA LEU A 105 -3.964 -13.433 0.918 1.00 0.00 C ATOM 1715 C LEU A 105 -4.726 -14.736 0.686 1.00 0.00 C ATOM 1716 O LEU A 105 -5.245 -14.979 -0.406 1.00 0.00 O ATOM 1717 CB LEU A 105 -4.448 -12.346 -0.051 1.00 0.00 C ATOM 1718 CG LEU A 105 -5.633 -11.511 0.438 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -5.332 -10.900 1.797 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -5.978 -10.427 -0.574 1.00 0.00 C ATOM 0 H LEU A 105 -2.236 -14.117 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.164 -13.111 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.615 -11.675 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.723 -12.820 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.496 -12.168 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.187 -10.310 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.138 -11.694 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.455 -10.257 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.823 -9.844 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.118 -9.772 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.240 -10.888 -1.526 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.803 -15.573 1.723 1.00 0.00 N ATOM 1733 CA ASN A 106 -5.514 -16.847 1.633 1.00 0.00 C ATOM 1734 C ASN A 106 -5.649 -17.507 3.009 1.00 0.00 C ATOM 1735 O ASN A 106 -5.378 -18.700 3.165 1.00 0.00 O ATOM 1736 CB ASN A 106 -4.792 -17.791 0.662 1.00 0.00 C ATOM 1737 CG ASN A 106 -5.675 -18.934 0.190 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -5.298 -20.101 0.283 1.00 0.00 O ATOM 1739 ND2 ASN A 106 -6.857 -18.605 -0.323 1.00 0.00 N ATOM 0 H ASN A 106 -4.381 -15.390 2.634 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.517 -16.646 1.256 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -4.447 -17.223 -0.202 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.906 -18.199 1.149 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -7.488 -19.333 -0.657 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -7.132 -17.625 -0.382 1.00 0.00 H new ATOM 1746 N PHE A 107 -6.068 -16.727 4.009 1.00 0.00 N ATOM 1747 CA PHE A 107 -6.232 -17.250 5.365 1.00 0.00 C ATOM 1748 C PHE A 107 -7.462 -16.663 6.052 1.00 0.00 C ATOM 1749 O PHE A 107 -7.669 -15.447 6.047 1.00 0.00 O ATOM 1750 CB PHE A 107 -4.983 -16.962 6.200 1.00 0.00 C ATOM 1751 CG PHE A 107 -3.995 -18.095 6.205 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -4.266 -19.264 6.898 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -2.797 -17.994 5.514 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -3.365 -20.310 6.902 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -1.890 -19.037 5.514 1.00 0.00 C ATOM 1756 CZ PHE A 107 -2.176 -20.197 6.210 1.00 0.00 C ATOM 0 H PHE A 107 -6.298 -15.739 3.905 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.374 -18.328 5.285 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.496 -16.066 5.815 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.282 -16.746 7.226 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.194 -19.358 7.442 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.570 -17.090 4.969 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -3.590 -21.216 7.446 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.960 -18.946 4.972 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.470 -21.014 6.212 1.00 0.00 H new ATOM 1766 N LEU A 108 -8.267 -17.538 6.657 1.00 0.00 N ATOM 1767 CA LEU A 108 -9.470 -17.121 7.366 1.00 0.00 C ATOM 1768 C LEU A 108 -9.114 -16.267 8.580 1.00 0.00 C ATOM 1769 O LEU A 108 -8.468 -16.741 9.518 1.00 0.00 O ATOM 1770 CB LEU A 108 -10.294 -18.344 7.799 1.00 0.00 C ATOM 1771 CG LEU A 108 -9.534 -19.391 8.623 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -10.378 -19.857 9.800 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -9.132 -20.574 7.751 1.00 0.00 C ATOM 0 H LEU A 108 -8.103 -18.545 6.668 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.072 -16.519 6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.148 -17.998 8.381 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.692 -18.827 6.907 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.626 -18.929 9.011 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.824 -20.600 10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.613 -19.006 10.439 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.303 -20.300 9.431 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.594 -21.305 8.355 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.025 -21.037 7.331 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.489 -20.228 6.942 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.531 -15.003 8.539 1.00 0.00 N ATOM 1786 CA GLN A 109 -9.266 -14.044 9.613 1.00 0.00 C ATOM 1787 C GLN A 109 -7.807 -13.590 9.575 1.00 0.00 C ATOM 1788 O GLN A 109 -6.997 -13.973 10.420 1.00 0.00 O ATOM 1789 CB GLN A 109 -9.619 -14.637 10.988 1.00 0.00 C ATOM 1790 CG GLN A 109 -10.995 -15.295 11.044 1.00 0.00 C ATOM 1791 CD GLN A 109 -11.806 -14.865 12.251 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -12.124 -15.676 13.123 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -12.155 -13.585 12.311 1.00 0.00 N ATOM 0 H GLN A 109 -10.062 -14.613 7.760 1.00 0.00 H new ATOM 0 HA GLN A 109 -9.903 -13.174 9.455 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.863 -15.374 11.259 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -9.575 -13.845 11.736 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -11.546 -15.050 10.136 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.874 -16.378 11.061 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.873 -12.944 11.569 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.705 -13.243 13.099 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.487 -12.761 8.581 1.00 0.00 N ATOM 1803 CA GLU A 110 -6.136 -12.240 8.416 1.00 0.00 C ATOM 1804 C GLU A 110 -6.088 -10.761 8.763 1.00 0.00 C ATOM 1805 O GLU A 110 -7.006 -10.007 8.435 1.00 0.00 O ATOM 1806 CB GLU A 110 -5.643 -12.439 6.980 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.245 -11.886 6.736 1.00 0.00 C ATOM 1808 CD GLU A 110 -3.701 -12.258 5.372 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -4.011 -11.541 4.397 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -2.971 -13.267 5.279 1.00 0.00 O ATOM 0 H GLU A 110 -8.150 -12.437 7.877 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.484 -12.792 9.094 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.650 -13.504 6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.340 -11.957 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.266 -10.800 6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.571 -12.260 7.506 1.00 0.00 H new ATOM 1817 N SER A 111 -5.007 -10.358 9.417 1.00 0.00 N ATOM 1818 CA SER A 111 -4.815 -8.970 9.809 1.00 0.00 C ATOM 1819 C SER A 111 -3.358 -8.563 9.598 1.00 0.00 C ATOM 1820 O SER A 111 -2.583 -8.450 10.550 1.00 0.00 O ATOM 1821 CB SER A 111 -5.231 -8.776 11.268 1.00 0.00 C ATOM 1822 OG SER A 111 -4.460 -9.589 12.137 1.00 0.00 O ATOM 0 H SER A 111 -4.245 -10.979 9.689 1.00 0.00 H new ATOM 0 HA SER A 111 -5.442 -8.331 9.187 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.112 -7.729 11.546 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.288 -9.018 11.382 1.00 0.00 H new ATOM 0 HG SER A 111 -3.511 -9.501 11.911 1.00 0.00 H new ATOM 1828 N TYR A 112 -2.999 -8.348 8.334 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.643 -7.958 7.971 1.00 0.00 C ATOM 1830 C TYR A 112 -1.625 -6.529 7.452 1.00 0.00 C ATOM 1831 O TYR A 112 -2.283 -6.209 6.463 1.00 0.00 O ATOM 1832 CB TYR A 112 -1.079 -8.907 6.910 1.00 0.00 C ATOM 1833 CG TYR A 112 0.003 -9.830 7.431 1.00 0.00 C ATOM 1834 CD1 TYR A 112 1.272 -9.348 7.722 1.00 0.00 C ATOM 1835 CD2 TYR A 112 -0.248 -11.182 7.626 1.00 0.00 C ATOM 1836 CE1 TYR A 112 2.263 -10.189 8.191 1.00 0.00 C ATOM 1837 CE2 TYR A 112 0.739 -12.029 8.095 1.00 0.00 C ATOM 1838 CZ TYR A 112 1.991 -11.527 8.376 1.00 0.00 C ATOM 1839 OH TYR A 112 2.977 -12.368 8.838 1.00 0.00 O ATOM 0 H TYR A 112 -3.635 -8.439 7.541 1.00 0.00 H new ATOM 0 HA TYR A 112 -1.018 -8.017 8.862 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.892 -9.508 6.504 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.676 -8.318 6.086 1.00 0.00 H new ATOM 0 HD1 TYR A 112 1.488 -8.299 7.580 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.229 -11.578 7.408 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.246 -9.799 8.411 1.00 0.00 H new ATOM 0 HE2 TYR A 112 0.530 -13.079 8.240 1.00 0.00 H new ATOM 0 HH TYR A 112 2.622 -13.278 8.914 1.00 0.00 H new ATOM 1849 N GLU A 113 -0.876 -5.673 8.132 1.00 0.00 N ATOM 1850 CA GLU A 113 -0.782 -4.271 7.743 1.00 0.00 C ATOM 1851 C GLU A 113 0.569 -3.670 8.134 1.00 0.00 C ATOM 1852 O GLU A 113 1.149 -4.032 9.161 1.00 0.00 O ATOM 1853 CB GLU A 113 -1.942 -3.486 8.364 1.00 0.00 C ATOM 1854 CG GLU A 113 -1.717 -3.055 9.807 1.00 0.00 C ATOM 1855 CD GLU A 113 -2.942 -3.274 10.676 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -3.843 -2.407 10.660 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -3.001 -4.313 11.368 1.00 0.00 O ATOM 0 H GLU A 113 -0.326 -5.922 8.954 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.854 -4.205 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.128 -2.599 7.759 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.843 -4.098 8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -0.877 -3.611 10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.443 -2.000 9.829 1.00 0.00 H new ATOM 1864 N VAL A 114 1.071 -2.762 7.295 1.00 0.00 N ATOM 1865 CA VAL A 114 2.360 -2.115 7.536 1.00 0.00 C ATOM 1866 C VAL A 114 2.244 -0.594 7.497 1.00 0.00 C ATOM 1867 O VAL A 114 1.401 -0.041 6.788 1.00 0.00 O ATOM 1868 CB VAL A 114 3.416 -2.550 6.493 1.00 0.00 C ATOM 1869 CG1 VAL A 114 4.805 -2.085 6.907 1.00 0.00 C ATOM 1870 CG2 VAL A 114 3.392 -4.056 6.295 1.00 0.00 C ATOM 0 H VAL A 114 0.603 -2.458 6.441 1.00 0.00 H new ATOM 0 HA VAL A 114 2.676 -2.429 8.531 1.00 0.00 H new ATOM 0 HB VAL A 114 3.167 -2.079 5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.532 -2.402 6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.816 -0.998 6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 114 5.063 -2.522 7.872 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.143 -4.338 5.557 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.609 -4.551 7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.406 -4.361 5.944 1.00 0.00 H new ATOM 1880 N GLU A 115 3.111 0.072 8.259 1.00 0.00 N ATOM 1881 CA GLU A 115 3.128 1.530 8.315 1.00 0.00 C ATOM 1882 C GLU A 115 4.555 2.061 8.202 1.00 0.00 C ATOM 1883 O GLU A 115 5.358 1.920 9.126 1.00 0.00 O ATOM 1884 CB GLU A 115 2.486 2.019 9.615 1.00 0.00 C ATOM 1885 CG GLU A 115 1.007 1.684 9.724 1.00 0.00 C ATOM 1886 CD GLU A 115 0.604 1.233 11.115 1.00 0.00 C ATOM 1887 OE1 GLU A 115 0.897 1.964 12.086 1.00 0.00 O ATOM 1888 OE2 GLU A 115 -0.008 0.151 11.235 1.00 0.00 O ATOM 0 H GLU A 115 3.812 -0.378 8.847 1.00 0.00 H new ATOM 0 HA GLU A 115 2.552 1.910 7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.014 1.577 10.460 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.612 3.099 9.690 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.420 2.560 9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.764 0.899 9.008 1.00 0.00 H new ATOM 1895 N HIS A 116 4.864 2.676 7.059 1.00 0.00 N ATOM 1896 CA HIS A 116 6.192 3.234 6.815 1.00 0.00 C ATOM 1897 C HIS A 116 6.133 4.759 6.730 1.00 0.00 C ATOM 1898 O HIS A 116 5.198 5.320 6.158 1.00 0.00 O ATOM 1899 CB HIS A 116 6.775 2.664 5.520 1.00 0.00 C ATOM 1900 CG HIS A 116 7.726 1.526 5.733 1.00 0.00 C ATOM 1901 ND1 HIS A 116 8.964 1.460 5.128 1.00 0.00 N ATOM 1902 CD2 HIS A 116 7.614 0.403 6.482 1.00 0.00 C ATOM 1903 CE1 HIS A 116 9.571 0.346 5.496 1.00 0.00 C ATOM 1904 NE2 HIS A 116 8.775 -0.311 6.317 1.00 0.00 N ATOM 0 H HIS A 116 4.209 2.800 6.287 1.00 0.00 H new ATOM 0 HA HIS A 116 6.836 2.958 7.650 1.00 0.00 H new ATOM 0 HB2 HIS A 116 5.958 2.327 4.882 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.291 3.460 4.984 1.00 0.00 H new ATOM 0 HD2 HIS A 116 6.770 0.122 7.094 1.00 0.00 H new ATOM 0 HE1 HIS A 116 10.553 0.027 5.178 1.00 0.00 H new ATOM 0 HE2 HIS A 116 8.988 -1.206 6.758 1.00 0.00 H new ATOM 1913 N VAL A 117 7.136 5.423 7.305 1.00 0.00 N ATOM 1914 CA VAL A 117 7.197 6.884 7.296 1.00 0.00 C ATOM 1915 C VAL A 117 8.417 7.387 6.527 1.00 0.00 C ATOM 1916 O VAL A 117 9.519 6.859 6.678 1.00 0.00 O ATOM 1917 CB VAL A 117 7.228 7.462 8.727 1.00 0.00 C ATOM 1918 CG1 VAL A 117 5.937 7.135 9.463 1.00 0.00 C ATOM 1919 CG2 VAL A 117 8.438 6.945 9.497 1.00 0.00 C ATOM 0 H VAL A 117 7.917 4.972 7.782 1.00 0.00 H new ATOM 0 HA VAL A 117 6.292 7.228 6.796 1.00 0.00 H new ATOM 0 HB VAL A 117 7.315 8.546 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.977 7.550 10.470 1.00 0.00 H new ATOM 0 HG12 VAL A 117 5.093 7.567 8.926 1.00 0.00 H new ATOM 0 HG13 VAL A 117 5.815 6.053 9.521 1.00 0.00 H new ATOM 0 HG21 VAL A 117 8.437 7.367 10.502 1.00 0.00 H new ATOM 0 HG22 VAL A 117 8.392 5.858 9.560 1.00 0.00 H new ATOM 0 HG23 VAL A 117 9.351 7.240 8.980 1.00 0.00 H new ATOM 1929 N ILE A 118 8.211 8.413 5.701 1.00 0.00 N ATOM 1930 CA ILE A 118 9.291 8.993 4.907 1.00 0.00 C ATOM 1931 C ILE A 118 9.379 10.505 5.127 1.00 0.00 C ATOM 1932 O ILE A 118 8.494 11.253 4.708 1.00 0.00 O ATOM 1933 CB ILE A 118 9.100 8.711 3.400 1.00 0.00 C ATOM 1934 CG1 ILE A 118 8.780 7.229 3.162 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.341 9.119 2.620 1.00 0.00 C ATOM 1936 CD1 ILE A 118 7.408 6.994 2.567 1.00 0.00 C ATOM 0 H ILE A 118 7.304 8.859 5.565 1.00 0.00 H new ATOM 0 HA ILE A 118 10.217 8.524 5.238 1.00 0.00 H new ATOM 0 HB ILE A 118 8.258 9.305 3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.533 6.805 2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.853 6.693 4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.189 8.913 1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.525 10.184 2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.200 8.552 2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.251 5.925 2.426 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.647 7.387 3.241 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.337 7.501 1.605 1.00 0.00 H new ATOM 1948 N GLN A 119 10.453 10.946 5.784 1.00 0.00 N ATOM 1949 CA GLN A 119 10.658 12.367 6.059 1.00 0.00 C ATOM 1950 C GLN A 119 12.063 12.807 5.648 1.00 0.00 C ATOM 1951 O GLN A 119 13.048 12.147 5.981 1.00 0.00 O ATOM 1952 CB GLN A 119 10.433 12.665 7.545 1.00 0.00 C ATOM 1953 CG GLN A 119 11.199 11.740 8.483 1.00 0.00 C ATOM 1954 CD GLN A 119 11.814 12.476 9.658 1.00 0.00 C ATOM 1955 OE1 GLN A 119 11.189 13.353 10.255 1.00 0.00 O ATOM 1956 NE2 GLN A 119 13.048 12.120 10.001 1.00 0.00 N ATOM 0 H GLN A 119 11.194 10.339 6.135 1.00 0.00 H new ATOM 0 HA GLN A 119 9.933 12.929 5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 119 10.726 13.695 7.747 1.00 0.00 H new ATOM 0 HB3 GLN A 119 9.368 12.588 7.764 1.00 0.00 H new ATOM 0 HG2 GLN A 119 10.525 10.968 8.855 1.00 0.00 H new ATOM 0 HG3 GLN A 119 11.986 11.234 7.924 1.00 0.00 H new ATOM 0 HE21 GLN A 119 13.531 11.388 9.480 1.00 0.00 H new ATOM 0 HE22 GLN A 119 13.512 12.579 10.785 1.00 0.00 H new ATOM 1965 N ILE A 120 12.146 13.924 4.928 1.00 0.00 N ATOM 1966 CA ILE A 120 13.433 14.450 4.479 1.00 0.00 C ATOM 1967 C ILE A 120 13.325 15.931 4.081 1.00 0.00 C ATOM 1968 O ILE A 120 13.561 16.304 2.931 1.00 0.00 O ATOM 1969 CB ILE A 120 13.999 13.609 3.305 1.00 0.00 C ATOM 1970 CG1 ILE A 120 15.413 14.075 2.934 1.00 0.00 C ATOM 1971 CG2 ILE A 120 13.072 13.671 2.100 1.00 0.00 C ATOM 1972 CD1 ILE A 120 16.504 13.368 3.710 1.00 0.00 C ATOM 0 H ILE A 120 11.340 14.481 4.644 1.00 0.00 H new ATOM 0 HA ILE A 120 14.126 14.378 5.317 1.00 0.00 H new ATOM 0 HB ILE A 120 14.061 12.570 3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 120 15.573 13.913 1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 120 15.491 15.148 3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 120 13.489 13.074 1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 120 12.093 13.278 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 120 12.969 14.706 1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 120 17.477 13.747 3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 120 16.369 13.551 4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 120 16.452 12.297 3.516 1.00 0.00 H new ATOM 1984 N PRO A 121 12.959 16.802 5.044 1.00 0.00 N ATOM 1985 CA PRO A 121 12.816 18.243 4.799 1.00 0.00 C ATOM 1986 C PRO A 121 14.163 18.955 4.648 1.00 0.00 C ATOM 1987 O PRO A 121 14.351 19.752 3.728 1.00 0.00 O ATOM 1988 CB PRO A 121 12.080 18.743 6.043 1.00 0.00 C ATOM 1989 CG PRO A 121 12.422 17.769 7.119 1.00 0.00 C ATOM 1990 CD PRO A 121 12.649 16.443 6.442 1.00 0.00 C ATOM 0 HA PRO A 121 12.291 18.443 3.865 1.00 0.00 H new ATOM 0 HB2 PRO A 121 12.397 19.751 6.309 1.00 0.00 H new ATOM 0 HB3 PRO A 121 11.004 18.782 5.875 1.00 0.00 H new ATOM 0 HG2 PRO A 121 13.314 18.086 7.659 1.00 0.00 H new ATOM 0 HG3 PRO A 121 11.615 17.699 7.849 1.00 0.00 H new ATOM 0 HD2 PRO A 121 13.470 15.895 6.904 1.00 0.00 H new ATOM 0 HD3 PRO A 121 11.766 15.807 6.504 1.00 0.00 H new ATOM 1998 N LEU A 122 15.095 18.660 5.560 1.00 0.00 N ATOM 1999 CA LEU A 122 16.428 19.263 5.541 1.00 0.00 C ATOM 2000 C LEU A 122 17.299 18.657 6.642 1.00 0.00 C ATOM 2001 O LEU A 122 17.345 19.170 7.763 1.00 0.00 O ATOM 2002 CB LEU A 122 16.335 20.786 5.713 1.00 0.00 C ATOM 2003 CG LEU A 122 17.676 21.524 5.753 1.00 0.00 C ATOM 2004 CD1 LEU A 122 18.410 21.389 4.425 1.00 0.00 C ATOM 2005 CD2 LEU A 122 17.462 22.991 6.099 1.00 0.00 C ATOM 0 H LEU A 122 14.947 18.002 6.325 1.00 0.00 H new ATOM 0 HA LEU A 122 16.887 19.053 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 122 15.740 21.192 4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 122 15.795 20.998 6.636 1.00 0.00 H new ATOM 0 HG LEU A 122 18.294 21.070 6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 122 19.360 21.922 4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 122 18.596 20.335 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 122 17.800 21.814 3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 122 18.424 23.503 6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 122 16.824 23.453 5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 122 16.984 23.069 7.076 1.00 0.00 H new ATOM 2017 N ASN A 123 17.975 17.556 6.317 1.00 0.00 N ATOM 2018 CA ASN A 123 18.837 16.865 7.275 1.00 0.00 C ATOM 2019 C ASN A 123 19.940 16.084 6.558 1.00 0.00 C ATOM 2020 O ASN A 123 19.706 15.642 5.412 1.00 0.00 O ATOM 2021 CB ASN A 123 18.004 15.919 8.152 1.00 0.00 C ATOM 2022 CG ASN A 123 17.191 14.928 7.337 1.00 0.00 C ATOM 2023 OD1 ASN A 123 16.388 15.315 6.486 1.00 0.00 O ATOM 2024 ND2 ASN A 123 17.388 13.638 7.597 1.00 0.00 N ATOM 0 H ASN A 123 17.942 17.122 5.394 1.00 0.00 H new ATOM 0 HA ASN A 123 19.309 17.616 7.909 1.00 0.00 H new ATOM 0 HB2 ASN A 123 18.668 15.373 8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 123 17.332 16.507 8.777 1.00 0.00 H new ATOM 0 HD21 ASN A 123 16.865 12.929 7.084 1.00 0.00 H new ATOM 0 HD22 ASN A 123 18.062 13.359 8.310 1.00 0.00 H new TER 2031 ASN A 123