USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 728 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 53 SER OG : rot 180:sc= -0.0583 USER MOD Set 1.2: A 65 THR OG1 : rot 54:sc= -0.533 USER MOD Set 2.1: A 37 CYS SG : rot -140:sc= -6.84! USER MOD Set 2.2: A 47 CYS SG : rot -77:sc= -8.59! USER MOD Set 3.1: A 27 GLN :FLIP amide:sc= -6.7! C(o=-18!,f=-9.9!) USER MOD Set 3.2: A 30 THR OG1 : rot -130:sc= 0 USER MOD Set 3.3: A 32 TYR OH : rot 58:sc= -3.24! USER MOD Single : A 1 ALA N :NH3+ -154:sc= 0.0165 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -2.4! USER MOD Single : A 8 THR OG1 : rot 180:sc= -6.37! USER MOD Single : A 10 SER OG : rot -160:sc=0.000888 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 90:sc= 0.818 USER MOD Single : A 20 LYS NZ :NH3+ -149:sc= -0.0127 (180deg=-0.555) USER MOD Single : A 36 GLN : amide:sc= -14.7! C(o=-15!,f=-17!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -8.54! C(o=-8.5!,f=-25!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.284 K(o=-0.28,f=-1.7!) USER MOD Single : A 62 SER OG : rot 32:sc= 0.594 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0135 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 100:sc= -6.03! USER MOD Single : A 72 SER OG : rot -138:sc= -0.955! USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0523 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0729 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN :FLIP amide:sc= -7.8! C(o=-9.7!,f=-7.8!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.648 13.593 -5.338 1.00 0.00 N ATOM 2 CA ALA A 1 0.780 13.839 -5.291 1.00 0.00 C ATOM 3 C ALA A 1 1.471 12.718 -4.529 1.00 0.00 C ATOM 4 O ALA A 1 1.129 12.442 -3.381 1.00 0.00 O ATOM 5 CB ALA A 1 1.041 15.187 -4.626 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.053 14.059 -6.175 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.822 12.569 -5.394 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.094 13.974 -4.479 1.00 0.00 H new ATOM 0 HA ALA A 1 1.183 13.865 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.114 15.373 -4.590 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.555 15.976 -5.200 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.640 15.176 -3.612 1.00 0.00 H new ATOM 11 N ALA A 2 2.448 12.072 -5.170 1.00 0.00 N ATOM 12 CA ALA A 2 3.180 10.985 -4.551 1.00 0.00 C ATOM 13 C ALA A 2 4.552 11.474 -4.110 1.00 0.00 C ATOM 14 O ALA A 2 5.418 11.734 -4.942 1.00 0.00 O ATOM 15 CB ALA A 2 3.310 9.831 -5.541 1.00 0.00 C ATOM 0 H ALA A 2 2.745 12.290 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 2 2.641 10.632 -3.672 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.860 9.013 -5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.317 9.484 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.845 10.171 -6.428 1.00 0.00 H new ATOM 21 N PRO A 3 4.749 11.599 -2.795 1.00 0.00 N ATOM 22 CA PRO A 3 5.986 12.048 -2.194 1.00 0.00 C ATOM 23 C PRO A 3 7.039 10.957 -2.319 1.00 0.00 C ATOM 24 O PRO A 3 6.805 9.936 -2.963 1.00 0.00 O ATOM 25 CB PRO A 3 5.639 12.309 -0.730 1.00 0.00 C ATOM 26 CG PRO A 3 4.515 11.307 -0.466 1.00 0.00 C ATOM 27 CD PRO A 3 3.752 11.303 -1.789 1.00 0.00 C ATOM 0 HA PRO A 3 6.392 12.939 -2.674 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.494 12.140 -0.075 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.312 13.336 -0.569 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.903 10.319 -0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.882 11.618 0.365 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.282 10.337 -1.971 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.957 12.049 -1.789 1.00 0.00 H new ATOM 35 N THR A 4 8.203 11.173 -1.702 1.00 0.00 N ATOM 36 CA THR A 4 9.282 10.207 -1.751 1.00 0.00 C ATOM 37 C THR A 4 9.323 9.409 -0.455 1.00 0.00 C ATOM 38 O THR A 4 9.684 9.940 0.593 1.00 0.00 O ATOM 39 CB THR A 4 10.604 10.934 -1.980 1.00 0.00 C ATOM 40 OG1 THR A 4 10.795 11.138 -3.362 1.00 0.00 O ATOM 41 CG2 THR A 4 11.750 10.091 -1.428 1.00 0.00 C ATOM 0 H THR A 4 8.414 12.013 -1.164 1.00 0.00 H new ATOM 0 HA THR A 4 9.115 9.513 -2.575 1.00 0.00 H new ATOM 0 HB THR A 4 10.582 11.897 -1.470 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.643 11.606 -3.509 1.00 0.00 H new ATOM 0 HG21 THR A 4 12.695 10.610 -1.591 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.603 9.932 -0.360 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.772 9.128 -1.938 1.00 0.00 H new ATOM 49 N ALA A 5 8.950 8.130 -0.530 1.00 0.00 N ATOM 50 CA ALA A 5 8.944 7.266 0.633 1.00 0.00 C ATOM 51 C ALA A 5 9.886 6.091 0.407 1.00 0.00 C ATOM 52 O ALA A 5 9.966 5.561 -0.698 1.00 0.00 O ATOM 53 CB ALA A 5 7.523 6.777 0.895 1.00 0.00 C ATOM 0 H ALA A 5 8.648 7.676 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 5 9.290 7.821 1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.517 6.127 1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.871 7.632 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.164 6.222 0.028 1.00 0.00 H new ATOM 59 N THR A 6 10.600 5.684 1.459 1.00 0.00 N ATOM 60 CA THR A 6 11.529 4.576 1.366 1.00 0.00 C ATOM 61 C THR A 6 10.861 3.298 1.851 1.00 0.00 C ATOM 62 O THR A 6 10.574 3.155 3.038 1.00 0.00 O ATOM 63 CB THR A 6 12.772 4.885 2.196 1.00 0.00 C ATOM 64 OG1 THR A 6 12.401 5.614 3.345 1.00 0.00 O ATOM 65 CG2 THR A 6 13.748 5.711 1.363 1.00 0.00 C ATOM 0 H THR A 6 10.546 6.112 2.383 1.00 0.00 H new ATOM 0 HA THR A 6 11.827 4.433 0.327 1.00 0.00 H new ATOM 0 HB THR A 6 13.249 3.952 2.496 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.199 5.811 3.879 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.636 5.932 1.956 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.035 5.148 0.475 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.271 6.644 1.063 1.00 0.00 H new ATOM 73 N VAL A 7 10.614 2.366 0.928 1.00 0.00 N ATOM 74 CA VAL A 7 9.982 1.105 1.263 1.00 0.00 C ATOM 75 C VAL A 7 11.007 -0.018 1.196 1.00 0.00 C ATOM 76 O VAL A 7 11.939 0.037 0.397 1.00 0.00 O ATOM 77 CB VAL A 7 8.829 0.843 0.300 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.045 -0.382 0.765 1.00 0.00 C ATOM 79 CG2 VAL A 7 7.904 2.057 0.271 1.00 0.00 C ATOM 0 H VAL A 7 10.846 2.470 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 7 9.587 1.150 2.278 1.00 0.00 H new ATOM 0 HB VAL A 7 9.225 0.663 -0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.221 -0.569 0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.704 -1.250 0.786 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.649 -0.203 1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.080 1.870 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.508 2.237 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.463 2.932 -0.061 1.00 0.00 H new ATOM 89 N THR A 8 10.834 -1.039 2.039 1.00 0.00 N ATOM 90 CA THR A 8 11.745 -2.165 2.067 1.00 0.00 C ATOM 91 C THR A 8 11.610 -2.973 0.784 1.00 0.00 C ATOM 92 O THR A 8 10.782 -2.657 -0.068 1.00 0.00 O ATOM 93 CB THR A 8 11.442 -3.033 3.285 1.00 0.00 C ATOM 94 OG1 THR A 8 12.650 -3.512 3.833 1.00 0.00 O ATOM 95 CG2 THR A 8 10.570 -4.213 2.866 1.00 0.00 C ATOM 0 H THR A 8 10.067 -1.101 2.709 1.00 0.00 H new ATOM 0 HA THR A 8 12.771 -1.804 2.139 1.00 0.00 H new ATOM 0 HB THR A 8 10.914 -2.439 4.031 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.456 -4.068 4.616 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.354 -4.833 3.736 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.636 -3.843 2.443 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.096 -4.807 2.119 1.00 0.00 H new ATOM 103 N PRO A 9 12.428 -4.019 0.648 1.00 0.00 N ATOM 104 CA PRO A 9 12.442 -4.900 -0.500 1.00 0.00 C ATOM 105 C PRO A 9 11.202 -5.782 -0.482 1.00 0.00 C ATOM 106 O PRO A 9 11.008 -6.565 0.445 1.00 0.00 O ATOM 107 CB PRO A 9 13.710 -5.735 -0.337 1.00 0.00 C ATOM 108 CG PRO A 9 13.879 -5.802 1.180 1.00 0.00 C ATOM 109 CD PRO A 9 13.413 -4.419 1.630 1.00 0.00 C ATOM 0 HA PRO A 9 12.436 -4.362 -1.448 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.600 -6.727 -0.776 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.568 -5.266 -0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.276 -6.596 1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.914 -5.993 1.464 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.982 -4.454 2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.244 -3.714 1.665 1.00 0.00 H new ATOM 117 N SER A 10 10.360 -5.652 -1.510 1.00 0.00 N ATOM 118 CA SER A 10 9.145 -6.436 -1.605 1.00 0.00 C ATOM 119 C SER A 10 9.222 -7.364 -2.810 1.00 0.00 C ATOM 120 O SER A 10 8.260 -7.485 -3.565 1.00 0.00 O ATOM 121 CB SER A 10 7.945 -5.500 -1.719 1.00 0.00 C ATOM 122 OG SER A 10 8.223 -4.492 -2.664 1.00 0.00 O ATOM 0 H SER A 10 10.506 -5.007 -2.286 1.00 0.00 H new ATOM 0 HA SER A 10 9.030 -7.046 -0.709 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.060 -6.061 -2.020 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.725 -5.053 -0.749 1.00 0.00 H new ATOM 0 HG SER A 10 7.622 -3.732 -2.518 1.00 0.00 H new ATOM 128 N SER A 11 10.371 -8.020 -2.987 1.00 0.00 N ATOM 129 CA SER A 11 10.565 -8.933 -4.095 1.00 0.00 C ATOM 130 C SER A 11 10.944 -10.310 -3.570 1.00 0.00 C ATOM 131 O SER A 11 12.074 -10.522 -3.135 1.00 0.00 O ATOM 132 CB SER A 11 11.652 -8.388 -5.018 1.00 0.00 C ATOM 133 OG SER A 11 11.553 -6.983 -5.081 1.00 0.00 O ATOM 0 H SER A 11 11.178 -7.929 -2.370 1.00 0.00 H new ATOM 0 HA SER A 11 9.638 -9.025 -4.661 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.636 -8.678 -4.650 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.546 -8.816 -6.015 1.00 0.00 H new ATOM 0 HG SER A 11 12.252 -6.632 -5.672 1.00 0.00 H new ATOM 139 N GLY A 12 9.996 -11.249 -3.611 1.00 0.00 N ATOM 140 CA GLY A 12 10.240 -12.598 -3.139 1.00 0.00 C ATOM 141 C GLY A 12 9.853 -12.722 -1.672 1.00 0.00 C ATOM 142 O GLY A 12 10.412 -13.542 -0.947 1.00 0.00 O ATOM 0 H GLY A 12 9.054 -11.092 -3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.667 -13.308 -3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.293 -12.851 -3.267 1.00 0.00 H new ATOM 146 N LEU A 13 8.891 -11.904 -1.237 1.00 0.00 N ATOM 147 CA LEU A 13 8.434 -11.926 0.138 1.00 0.00 C ATOM 148 C LEU A 13 7.168 -12.763 0.249 1.00 0.00 C ATOM 149 O LEU A 13 6.243 -12.602 -0.545 1.00 0.00 O ATOM 150 CB LEU A 13 8.180 -10.497 0.611 1.00 0.00 C ATOM 151 CG LEU A 13 9.291 -9.586 0.098 1.00 0.00 C ATOM 152 CD1 LEU A 13 9.561 -8.486 1.120 1.00 0.00 C ATOM 153 CD2 LEU A 13 10.561 -10.405 -0.116 1.00 0.00 C ATOM 0 H LEU A 13 8.418 -11.219 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 13 9.199 -12.375 0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.213 -10.149 0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.142 -10.464 1.700 1.00 0.00 H new ATOM 0 HG LEU A 13 8.985 -9.136 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.355 -7.835 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.654 -7.901 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.867 -8.935 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.356 -9.755 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.867 -10.855 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.369 -11.190 -0.847 1.00 0.00 H new ATOM 165 N SER A 14 7.127 -13.659 1.237 1.00 0.00 N ATOM 166 CA SER A 14 5.976 -14.514 1.446 1.00 0.00 C ATOM 167 C SER A 14 5.211 -14.059 2.681 1.00 0.00 C ATOM 168 O SER A 14 5.668 -13.179 3.407 1.00 0.00 O ATOM 169 CB SER A 14 6.439 -15.960 1.599 1.00 0.00 C ATOM 170 OG SER A 14 6.989 -16.409 0.381 1.00 0.00 O ATOM 0 H SER A 14 7.885 -13.805 1.903 1.00 0.00 H new ATOM 0 HA SER A 14 5.309 -14.448 0.586 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.181 -16.033 2.394 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.600 -16.593 1.887 1.00 0.00 H new ATOM 0 HG SER A 14 7.288 -17.337 0.479 1.00 0.00 H new ATOM 176 N ASP A 15 4.044 -14.661 2.918 1.00 0.00 N ATOM 177 CA ASP A 15 3.223 -14.316 4.061 1.00 0.00 C ATOM 178 C ASP A 15 4.066 -14.345 5.328 1.00 0.00 C ATOM 179 O ASP A 15 4.908 -15.225 5.494 1.00 0.00 O ATOM 180 CB ASP A 15 2.058 -15.295 4.164 1.00 0.00 C ATOM 181 CG ASP A 15 2.351 -16.384 5.186 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.278 -16.064 6.392 1.00 0.00 O ATOM 183 OD2 ASP A 15 2.642 -17.516 4.742 1.00 0.00 O ATOM 0 H ASP A 15 3.652 -15.393 2.325 1.00 0.00 H new ATOM 0 HA ASP A 15 2.824 -13.309 3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.152 -14.759 4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.870 -15.746 3.190 1.00 0.00 H new ATOM 188 N GLY A 16 3.840 -13.380 6.222 1.00 0.00 N ATOM 189 CA GLY A 16 4.582 -13.306 7.465 1.00 0.00 C ATOM 190 C GLY A 16 5.654 -12.229 7.376 1.00 0.00 C ATOM 191 O GLY A 16 6.103 -11.710 8.395 1.00 0.00 O ATOM 0 H GLY A 16 3.147 -12.642 6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.903 -13.086 8.289 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.042 -14.270 7.680 1.00 0.00 H new ATOM 195 N THR A 17 6.065 -11.893 6.151 1.00 0.00 N ATOM 196 CA THR A 17 7.080 -10.881 5.939 1.00 0.00 C ATOM 197 C THR A 17 6.491 -9.498 6.176 1.00 0.00 C ATOM 198 O THR A 17 5.290 -9.295 6.010 1.00 0.00 O ATOM 199 CB THR A 17 7.626 -11.000 4.519 1.00 0.00 C ATOM 200 OG1 THR A 17 8.156 -12.292 4.326 1.00 0.00 O ATOM 201 CG2 THR A 17 8.726 -9.963 4.309 1.00 0.00 C ATOM 0 H THR A 17 5.704 -12.313 5.294 1.00 0.00 H new ATOM 0 HA THR A 17 7.898 -11.029 6.644 1.00 0.00 H new ATOM 0 HB THR A 17 6.821 -10.827 3.804 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.452 -12.888 3.995 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.117 -10.047 3.295 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.317 -8.964 4.459 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.531 -10.136 5.023 1.00 0.00 H new ATOM 209 N VAL A 18 7.341 -8.545 6.564 1.00 0.00 N ATOM 210 CA VAL A 18 6.904 -7.188 6.822 1.00 0.00 C ATOM 211 C VAL A 18 7.799 -6.208 6.077 1.00 0.00 C ATOM 212 O VAL A 18 9.019 -6.246 6.222 1.00 0.00 O ATOM 213 CB VAL A 18 6.939 -6.919 8.324 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.387 -6.754 8.777 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.161 -5.643 8.630 1.00 0.00 C ATOM 0 H VAL A 18 8.340 -8.698 6.705 1.00 0.00 H new ATOM 0 HA VAL A 18 5.882 -7.057 6.467 1.00 0.00 H new ATOM 0 HB VAL A 18 6.486 -7.756 8.854 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.413 -6.562 9.850 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.943 -7.666 8.558 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.841 -5.916 8.247 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.186 -5.450 9.703 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.614 -4.805 8.100 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.127 -5.761 8.306 1.00 0.00 H new ATOM 225 N VAL A 19 7.190 -5.330 5.278 1.00 0.00 N ATOM 226 CA VAL A 19 7.933 -4.346 4.516 1.00 0.00 C ATOM 227 C VAL A 19 7.998 -3.037 5.289 1.00 0.00 C ATOM 228 O VAL A 19 7.413 -2.919 6.363 1.00 0.00 O ATOM 229 CB VAL A 19 7.262 -4.141 3.160 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.377 -5.420 2.337 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.789 -3.800 3.369 1.00 0.00 C ATOM 0 H VAL A 19 6.179 -5.287 5.147 1.00 0.00 H new ATOM 0 HA VAL A 19 8.951 -4.699 4.353 1.00 0.00 H new ATOM 0 HB VAL A 19 7.753 -3.324 2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.898 -5.274 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.429 -5.664 2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.886 -6.238 2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.309 -3.653 2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.298 -4.617 3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.707 -2.886 3.957 1.00 0.00 H new ATOM 241 N LYS A 20 8.713 -2.052 4.741 1.00 0.00 N ATOM 242 CA LYS A 20 8.848 -0.759 5.382 1.00 0.00 C ATOM 243 C LYS A 20 8.373 0.338 4.441 1.00 0.00 C ATOM 244 O LYS A 20 8.486 0.208 3.224 1.00 0.00 O ATOM 245 CB LYS A 20 10.306 -0.539 5.777 1.00 0.00 C ATOM 246 CG LYS A 20 10.369 0.049 7.183 1.00 0.00 C ATOM 247 CD LYS A 20 10.499 1.567 7.095 1.00 0.00 C ATOM 248 CE LYS A 20 11.523 2.050 8.119 1.00 0.00 C ATOM 249 NZ LYS A 20 12.260 3.220 7.616 1.00 0.00 N ATOM 0 H LYS A 20 9.206 -2.134 3.852 1.00 0.00 H new ATOM 0 HA LYS A 20 8.232 -0.729 6.281 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.850 -1.483 5.741 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.788 0.134 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.471 -0.218 7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.217 -0.368 7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.807 1.859 6.091 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.533 2.037 7.281 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.018 2.307 9.050 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.222 1.245 8.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.223 3.219 8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.309 3.179 6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.769 4.090 7.906 1.00 0.00 H new ATOM 263 N VAL A 21 7.839 1.423 5.009 1.00 0.00 N ATOM 264 CA VAL A 21 7.350 2.536 4.221 1.00 0.00 C ATOM 265 C VAL A 21 7.611 3.842 4.958 1.00 0.00 C ATOM 266 O VAL A 21 6.958 4.135 5.956 1.00 0.00 O ATOM 267 CB VAL A 21 5.858 2.354 3.956 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.638 2.038 2.480 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.328 1.203 4.807 1.00 0.00 C ATOM 0 H VAL A 21 7.738 1.545 6.017 1.00 0.00 H new ATOM 0 HA VAL A 21 7.874 2.569 3.266 1.00 0.00 H new ATOM 0 HB VAL A 21 5.328 3.271 4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.572 1.908 2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.017 2.859 1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.167 1.121 2.222 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.262 1.072 4.619 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.858 0.286 4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.485 1.428 5.862 1.00 0.00 H new ATOM 279 N ALA A 22 8.570 4.627 4.461 1.00 0.00 N ATOM 280 CA ALA A 22 8.913 5.895 5.073 1.00 0.00 C ATOM 281 C ALA A 22 8.799 7.012 4.045 1.00 0.00 C ATOM 282 O ALA A 22 9.524 7.021 3.053 1.00 0.00 O ATOM 283 CB ALA A 22 10.330 5.821 5.635 1.00 0.00 C ATOM 0 H ALA A 22 9.120 4.398 3.633 1.00 0.00 H new ATOM 0 HA ALA A 22 8.223 6.107 5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.589 6.774 6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.384 5.030 6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.031 5.606 4.828 1.00 0.00 H new ATOM 289 N GLY A 23 7.884 7.955 4.283 1.00 0.00 N ATOM 290 CA GLY A 23 7.684 9.067 3.375 1.00 0.00 C ATOM 291 C GLY A 23 8.678 10.179 3.676 1.00 0.00 C ATOM 292 O GLY A 23 9.019 10.415 4.833 1.00 0.00 O ATOM 0 H GLY A 23 7.274 7.963 5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.805 8.731 2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.666 9.444 3.470 1.00 0.00 H new ATOM 296 N ALA A 24 9.144 10.864 2.628 1.00 0.00 N ATOM 297 CA ALA A 24 10.096 11.945 2.784 1.00 0.00 C ATOM 298 C ALA A 24 9.753 13.076 1.824 1.00 0.00 C ATOM 299 O ALA A 24 9.867 12.919 0.611 1.00 0.00 O ATOM 300 CB ALA A 24 11.505 11.422 2.522 1.00 0.00 C ATOM 0 H ALA A 24 8.871 10.681 1.663 1.00 0.00 H new ATOM 0 HA ALA A 24 10.050 12.332 3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.222 12.234 2.639 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.736 10.628 3.232 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.564 11.029 1.507 1.00 0.00 H new ATOM 306 N GLY A 25 9.331 14.219 2.370 1.00 0.00 N ATOM 307 CA GLY A 25 8.975 15.365 1.558 1.00 0.00 C ATOM 308 C GLY A 25 7.463 15.527 1.508 1.00 0.00 C ATOM 309 O GLY A 25 6.932 16.155 0.594 1.00 0.00 O ATOM 0 H GLY A 25 9.230 14.367 3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.431 16.266 1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.368 15.241 0.549 1.00 0.00 H new ATOM 313 N LEU A 26 6.768 14.958 2.496 1.00 0.00 N ATOM 314 CA LEU A 26 5.322 15.041 2.561 1.00 0.00 C ATOM 315 C LEU A 26 4.911 16.258 3.378 1.00 0.00 C ATOM 316 O LEU A 26 5.721 17.151 3.616 1.00 0.00 O ATOM 317 CB LEU A 26 4.767 13.762 3.181 1.00 0.00 C ATOM 318 CG LEU A 26 5.809 12.652 3.075 1.00 0.00 C ATOM 319 CD1 LEU A 26 5.118 11.295 3.174 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.531 12.759 1.735 1.00 0.00 C ATOM 0 H LEU A 26 7.193 14.434 3.261 1.00 0.00 H new ATOM 0 HA LEU A 26 4.915 15.148 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.508 13.934 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.851 13.465 2.670 1.00 0.00 H new ATOM 0 HG LEU A 26 6.531 12.752 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.862 10.502 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.602 11.218 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.396 11.194 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.275 11.967 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.810 12.659 0.924 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.024 13.728 1.664 1.00 0.00 H new ATOM 332 N GLN A 27 3.647 16.292 3.807 1.00 0.00 N ATOM 333 CA GLN A 27 3.136 17.397 4.592 1.00 0.00 C ATOM 334 C GLN A 27 3.345 17.118 6.074 1.00 0.00 C ATOM 335 O GLN A 27 2.935 16.074 6.575 1.00 0.00 O ATOM 336 CB GLN A 27 1.655 17.597 4.283 1.00 0.00 C ATOM 337 CG GLN A 27 1.469 17.786 2.780 1.00 0.00 C ATOM 338 CD GLN A 27 1.352 16.443 2.075 1.00 0.00 C ATOM 339 OE1 GLN A 27 0.412 15.609 2.527 1.00 0.00 O flip ATOM 340 NE2 GLN A 27 2.096 16.164 1.137 1.00 0.00 N flip ATOM 0 H GLN A 27 2.963 15.559 3.618 1.00 0.00 H new ATOM 0 HA GLN A 27 3.674 18.310 4.336 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.082 16.736 4.626 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.275 18.467 4.819 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.574 18.379 2.592 1.00 0.00 H new ATOM 0 HG3 GLN A 27 2.312 18.343 2.372 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.800 16.834 0.827 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.010 15.262 0.668 1.00 0.00 H new ATOM 349 N ALA A 28 3.986 18.057 6.775 1.00 0.00 N ATOM 350 CA ALA A 28 4.246 17.908 8.192 1.00 0.00 C ATOM 351 C ALA A 28 2.941 18.003 8.969 1.00 0.00 C ATOM 352 O ALA A 28 2.071 18.802 8.629 1.00 0.00 O ATOM 353 CB ALA A 28 5.225 18.988 8.645 1.00 0.00 C ATOM 0 H ALA A 28 4.332 18.929 6.374 1.00 0.00 H new ATOM 0 HA ALA A 28 4.689 16.931 8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.421 18.877 9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.159 18.888 8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.795 19.972 8.456 1.00 0.00 H new ATOM 359 N GLY A 29 2.804 17.184 10.015 1.00 0.00 N ATOM 360 CA GLY A 29 1.605 17.184 10.829 1.00 0.00 C ATOM 361 C GLY A 29 0.434 16.612 10.042 1.00 0.00 C ATOM 362 O GLY A 29 -0.706 16.654 10.502 1.00 0.00 O ATOM 0 H GLY A 29 3.515 16.515 10.311 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.769 16.594 11.731 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.375 18.200 11.150 1.00 0.00 H new ATOM 366 N THR A 30 0.716 16.076 8.852 1.00 0.00 N ATOM 367 CA THR A 30 -0.316 15.501 8.013 1.00 0.00 C ATOM 368 C THR A 30 -0.437 14.009 8.290 1.00 0.00 C ATOM 369 O THR A 30 0.563 13.336 8.529 1.00 0.00 O ATOM 370 CB THR A 30 0.024 15.752 6.547 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.131 16.187 5.865 1.00 0.00 O ATOM 372 CG2 THR A 30 0.533 14.461 5.913 1.00 0.00 C ATOM 0 H THR A 30 1.655 16.032 8.455 1.00 0.00 H new ATOM 0 HA THR A 30 -1.274 15.970 8.237 1.00 0.00 H new ATOM 0 HB THR A 30 0.797 16.518 6.480 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.249 15.656 5.049 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.776 14.641 4.866 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.426 14.124 6.440 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.239 13.694 5.980 1.00 0.00 H new ATOM 380 N ALA A 31 -1.668 13.494 8.257 1.00 0.00 N ATOM 381 CA ALA A 31 -1.915 12.088 8.504 1.00 0.00 C ATOM 382 C ALA A 31 -1.980 11.335 7.183 1.00 0.00 C ATOM 383 O ALA A 31 -2.395 11.892 6.169 1.00 0.00 O ATOM 384 CB ALA A 31 -3.220 11.930 9.280 1.00 0.00 C ATOM 0 H ALA A 31 -2.507 14.040 8.060 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.101 11.671 9.097 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.407 10.872 9.466 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.144 12.458 10.231 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.042 12.347 8.698 1.00 0.00 H new ATOM 390 N TYR A 32 -1.567 10.066 7.195 1.00 0.00 N ATOM 391 CA TYR A 32 -1.579 9.248 5.999 1.00 0.00 C ATOM 392 C TYR A 32 -2.084 7.852 6.333 1.00 0.00 C ATOM 393 O TYR A 32 -1.873 7.362 7.441 1.00 0.00 O ATOM 394 CB TYR A 32 -0.172 9.188 5.411 1.00 0.00 C ATOM 395 CG TYR A 32 0.247 10.464 4.721 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.412 10.879 3.558 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.295 11.231 5.244 1.00 0.00 C ATOM 398 CE1 TYR A 32 -0.023 12.062 2.918 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.684 12.414 4.603 1.00 0.00 C ATOM 400 CZ TYR A 32 1.024 12.830 3.440 1.00 0.00 C ATOM 401 OH TYR A 32 1.403 13.982 2.817 1.00 0.00 O ATOM 0 H TYR A 32 -1.220 9.589 8.027 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.249 9.687 5.260 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.537 8.966 6.208 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.119 8.365 4.699 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.220 10.287 3.154 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.803 10.911 6.141 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.531 12.382 2.021 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.493 13.005 5.006 1.00 0.00 H new ATOM 0 HH TYR A 32 0.639 14.593 2.766 1.00 0.00 H new ATOM 411 N ASP A 33 -2.753 7.211 5.372 1.00 0.00 N ATOM 412 CA ASP A 33 -3.284 5.877 5.570 1.00 0.00 C ATOM 413 C ASP A 33 -2.535 4.889 4.687 1.00 0.00 C ATOM 414 O ASP A 33 -2.617 4.961 3.463 1.00 0.00 O ATOM 415 CB ASP A 33 -4.775 5.870 5.244 1.00 0.00 C ATOM 416 CG ASP A 33 -5.601 6.230 6.471 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.030 6.889 7.366 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.788 5.839 6.491 1.00 0.00 O ATOM 0 H ASP A 33 -2.936 7.603 4.448 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.152 5.579 6.610 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.979 6.579 4.442 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.067 4.885 4.880 1.00 0.00 H new ATOM 423 N VAL A 34 -1.803 3.963 5.312 1.00 0.00 N ATOM 424 CA VAL A 34 -1.044 2.967 4.583 1.00 0.00 C ATOM 425 C VAL A 34 -1.849 1.680 4.480 1.00 0.00 C ATOM 426 O VAL A 34 -2.602 1.343 5.391 1.00 0.00 O ATOM 427 CB VAL A 34 0.284 2.720 5.293 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.355 2.373 4.263 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.697 3.978 6.052 1.00 0.00 C ATOM 0 H VAL A 34 -1.726 3.890 6.326 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.839 3.326 3.574 1.00 0.00 H new ATOM 0 HB VAL A 34 0.173 1.893 5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.304 2.197 4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.061 1.474 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.467 3.200 3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.646 3.802 6.559 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.808 4.806 5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.068 4.226 6.788 1.00 0.00 H new ATOM 439 N GLY A 35 -1.690 0.960 3.367 1.00 0.00 N ATOM 440 CA GLY A 35 -2.403 -0.284 3.157 1.00 0.00 C ATOM 441 C GLY A 35 -1.862 -1.002 1.929 1.00 0.00 C ATOM 442 O GLY A 35 -1.108 -0.422 1.150 1.00 0.00 O ATOM 0 H GLY A 35 -1.071 1.225 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.300 -0.922 4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.467 -0.084 3.031 1.00 0.00 H new ATOM 446 N GLN A 36 -2.248 -2.268 1.758 1.00 0.00 N ATOM 447 CA GLN A 36 -1.800 -3.057 0.628 1.00 0.00 C ATOM 448 C GLN A 36 -2.988 -3.425 -0.249 1.00 0.00 C ATOM 449 O GLN A 36 -3.860 -4.184 0.169 1.00 0.00 O ATOM 450 CB GLN A 36 -1.093 -4.311 1.135 1.00 0.00 C ATOM 451 CG GLN A 36 -1.265 -5.439 0.121 1.00 0.00 C ATOM 452 CD GLN A 36 -0.610 -6.720 0.616 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.130 -7.378 1.515 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.536 -7.071 0.029 1.00 0.00 N ATOM 0 H GLN A 36 -2.872 -2.763 2.395 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.099 -2.476 0.029 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.034 -4.106 1.291 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.505 -4.609 2.099 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.326 -5.614 -0.057 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.825 -5.146 -0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.927 -6.491 -0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.020 -7.919 0.323 1.00 0.00 H new ATOM 463 N CYS A 37 -3.020 -2.886 -1.470 1.00 0.00 N ATOM 464 CA CYS A 37 -4.097 -3.159 -2.399 1.00 0.00 C ATOM 465 C CYS A 37 -3.561 -3.929 -3.598 1.00 0.00 C ATOM 466 O CYS A 37 -2.406 -3.756 -3.982 1.00 0.00 O ATOM 467 CB CYS A 37 -4.733 -1.844 -2.841 1.00 0.00 C ATOM 468 SG CYS A 37 -4.585 -0.511 -1.626 1.00 0.00 S ATOM 0 H CYS A 37 -2.304 -2.256 -1.831 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.857 -3.769 -1.911 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.270 -1.524 -3.775 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.789 -2.015 -3.051 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.696 0.162 -1.583 1.00 0.00 H new ATOM 473 N ALA A 38 -4.403 -4.780 -4.189 1.00 0.00 N ATOM 474 CA ALA A 38 -4.009 -5.571 -5.338 1.00 0.00 C ATOM 475 C ALA A 38 -4.977 -5.327 -6.487 1.00 0.00 C ATOM 476 O ALA A 38 -6.189 -5.315 -6.289 1.00 0.00 O ATOM 477 CB ALA A 38 -3.987 -7.047 -4.954 1.00 0.00 C ATOM 0 H ALA A 38 -5.364 -4.933 -3.883 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.010 -5.278 -5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.691 -7.643 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.274 -7.202 -4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.981 -7.352 -4.626 1.00 0.00 H new ATOM 483 N TRP A 39 -4.438 -5.131 -7.693 1.00 0.00 N ATOM 484 CA TRP A 39 -5.259 -4.890 -8.863 1.00 0.00 C ATOM 485 C TRP A 39 -6.088 -6.127 -9.178 1.00 0.00 C ATOM 486 O TRP A 39 -5.540 -7.200 -9.419 1.00 0.00 O ATOM 487 CB TRP A 39 -4.364 -4.524 -10.044 1.00 0.00 C ATOM 488 CG TRP A 39 -4.808 -5.069 -11.363 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.092 -5.277 -11.729 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.997 -5.482 -12.505 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.130 -5.787 -13.009 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.863 -5.934 -13.536 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.617 -5.521 -12.774 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.389 -6.399 -14.766 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.131 -5.985 -14.004 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.011 -6.425 -15.000 1.00 0.00 C ATOM 0 H TRP A 39 -3.435 -5.136 -7.876 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.940 -4.062 -8.669 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.309 -3.438 -10.116 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.355 -4.882 -9.841 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.956 -5.075 -11.113 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -6.988 -6.026 -13.505 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.920 -5.188 -12.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.079 -6.734 -15.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.066 -6.003 -14.185 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.627 -6.783 -15.944 1.00 0.00 H new ATOM 507 N VAL A 40 -7.414 -5.974 -9.175 1.00 0.00 N ATOM 508 CA VAL A 40 -8.312 -7.075 -9.459 1.00 0.00 C ATOM 509 C VAL A 40 -8.812 -6.974 -10.893 1.00 0.00 C ATOM 510 O VAL A 40 -8.843 -7.969 -11.613 1.00 0.00 O ATOM 511 CB VAL A 40 -9.478 -7.046 -8.475 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.965 -7.338 -7.068 1.00 0.00 C ATOM 513 CG2 VAL A 40 -10.132 -5.668 -8.503 1.00 0.00 C ATOM 0 H VAL A 40 -7.883 -5.090 -8.977 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.783 -8.021 -9.346 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.211 -7.802 -8.758 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.798 -7.317 -6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.498 -8.323 -7.048 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.232 -6.583 -6.784 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.965 -5.646 -7.800 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.399 -4.912 -8.221 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.499 -5.460 -9.508 1.00 0.00 H new ATOM 523 N ASP A 41 -9.205 -5.767 -11.306 1.00 0.00 N ATOM 524 CA ASP A 41 -9.702 -5.543 -12.649 1.00 0.00 C ATOM 525 C ASP A 41 -9.042 -4.307 -13.243 1.00 0.00 C ATOM 526 O ASP A 41 -8.331 -3.586 -12.546 1.00 0.00 O ATOM 527 CB ASP A 41 -11.218 -5.382 -12.609 1.00 0.00 C ATOM 528 CG ASP A 41 -11.907 -6.523 -13.344 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.213 -7.179 -14.151 1.00 0.00 O ATOM 530 OD2 ASP A 41 -13.114 -6.719 -13.085 1.00 0.00 O ATOM 0 H ASP A 41 -9.185 -4.932 -10.721 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.458 -6.398 -13.279 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.557 -5.354 -11.573 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.498 -4.431 -13.062 1.00 0.00 H new ATOM 535 N THR A 42 -9.280 -4.061 -14.533 1.00 0.00 N ATOM 536 CA THR A 42 -8.708 -2.913 -15.208 1.00 0.00 C ATOM 537 C THR A 42 -9.098 -1.636 -14.479 1.00 0.00 C ATOM 538 O THR A 42 -10.264 -1.248 -14.481 1.00 0.00 O ATOM 539 CB THR A 42 -9.193 -2.880 -16.654 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.871 -1.634 -17.229 1.00 0.00 O ATOM 541 CG2 THR A 42 -10.706 -3.080 -16.688 1.00 0.00 C ATOM 0 H THR A 42 -9.868 -4.648 -15.125 1.00 0.00 H new ATOM 0 HA THR A 42 -7.621 -2.990 -15.205 1.00 0.00 H new ATOM 0 HB THR A 42 -8.708 -3.677 -17.218 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.181 -1.613 -18.158 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.053 -3.056 -17.721 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.956 -4.043 -16.243 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.191 -2.283 -16.124 1.00 0.00 H new ATOM 549 N GLY A 43 -8.118 -0.980 -13.852 1.00 0.00 N ATOM 550 CA GLY A 43 -8.367 0.248 -13.125 1.00 0.00 C ATOM 551 C GLY A 43 -9.151 -0.043 -11.853 1.00 0.00 C ATOM 552 O GLY A 43 -9.584 0.878 -11.163 1.00 0.00 O ATOM 0 H GLY A 43 -7.145 -1.287 -13.839 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.421 0.730 -12.876 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.924 0.944 -13.753 1.00 0.00 H new ATOM 556 N VAL A 44 -9.333 -1.329 -11.543 1.00 0.00 N ATOM 557 CA VAL A 44 -10.063 -1.735 -10.359 1.00 0.00 C ATOM 558 C VAL A 44 -9.162 -2.573 -9.462 1.00 0.00 C ATOM 559 O VAL A 44 -8.809 -3.697 -9.811 1.00 0.00 O ATOM 560 CB VAL A 44 -11.302 -2.524 -10.771 1.00 0.00 C ATOM 561 CG1 VAL A 44 -12.173 -2.781 -9.545 1.00 0.00 C ATOM 562 CG2 VAL A 44 -12.095 -1.724 -11.800 1.00 0.00 C ATOM 0 H VAL A 44 -8.979 -2.104 -12.104 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.380 -0.854 -9.801 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.998 -3.476 -11.206 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.058 -3.345 -9.839 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.607 -3.353 -8.810 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.477 -1.829 -9.109 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.980 -2.287 -12.095 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.399 -0.772 -11.365 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.473 -1.541 -12.676 1.00 0.00 H new ATOM 572 N LEU A 45 -8.792 -2.022 -8.303 1.00 0.00 N ATOM 573 CA LEU A 45 -7.937 -2.720 -7.364 1.00 0.00 C ATOM 574 C LEU A 45 -8.627 -2.818 -6.011 1.00 0.00 C ATOM 575 O LEU A 45 -9.287 -1.875 -5.579 1.00 0.00 O ATOM 576 CB LEU A 45 -6.608 -1.980 -7.240 1.00 0.00 C ATOM 577 CG LEU A 45 -6.699 -0.956 -6.113 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.294 -0.560 -5.670 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.445 0.280 -6.607 1.00 0.00 C ATOM 0 H LEU A 45 -9.077 -1.091 -8.000 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.744 -3.730 -7.725 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.803 -2.687 -7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.368 -1.482 -8.179 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.236 -1.391 -5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.359 0.172 -4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.762 -1.443 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.756 -0.125 -6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.510 1.012 -5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.909 0.715 -7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.449 -0.003 -6.922 1.00 0.00 H new ATOM 591 N ALA A 46 -8.474 -3.963 -5.343 1.00 0.00 N ATOM 592 CA ALA A 46 -9.083 -4.179 -4.045 1.00 0.00 C ATOM 593 C ALA A 46 -8.060 -3.924 -2.948 1.00 0.00 C ATOM 594 O ALA A 46 -6.875 -4.197 -3.126 1.00 0.00 O ATOM 595 CB ALA A 46 -9.618 -5.605 -3.966 1.00 0.00 C ATOM 0 H ALA A 46 -7.930 -4.753 -5.688 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.913 -3.486 -3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.076 -5.768 -2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.363 -5.758 -4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.798 -6.309 -4.104 1.00 0.00 H new ATOM 601 N CYS A 47 -8.520 -3.399 -1.810 1.00 0.00 N ATOM 602 CA CYS A 47 -7.646 -3.111 -0.691 1.00 0.00 C ATOM 603 C CYS A 47 -7.870 -4.133 0.414 1.00 0.00 C ATOM 604 O CYS A 47 -8.950 -4.710 0.519 1.00 0.00 O ATOM 605 CB CYS A 47 -7.919 -1.698 -0.184 1.00 0.00 C ATOM 606 SG CYS A 47 -7.064 -0.404 -1.117 1.00 0.00 S ATOM 0 H CYS A 47 -9.500 -3.167 -1.647 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.606 -3.173 -1.011 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.992 -1.510 -0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.621 -1.634 0.863 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.812 -0.373 -0.768 1.00 0.00 H new ATOM 611 N ASN A 48 -6.845 -4.357 1.240 1.00 0.00 N ATOM 612 CA ASN A 48 -6.938 -5.307 2.331 1.00 0.00 C ATOM 613 C ASN A 48 -6.839 -4.579 3.663 1.00 0.00 C ATOM 614 O ASN A 48 -5.776 -4.079 4.024 1.00 0.00 O ATOM 615 CB ASN A 48 -5.825 -6.342 2.197 1.00 0.00 C ATOM 616 CG ASN A 48 -5.786 -7.258 3.412 1.00 0.00 C ATOM 617 OD1 ASN A 48 -6.726 -7.282 4.203 1.00 0.00 O ATOM 618 ND2 ASN A 48 -4.695 -8.014 3.558 1.00 0.00 N ATOM 0 H ASN A 48 -5.942 -3.888 1.167 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.900 -5.817 2.292 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.980 -6.934 1.295 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.865 -5.837 2.086 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.616 -8.647 4.354 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.941 -7.958 2.874 1.00 0.00 H new ATOM 625 N PRO A 49 -7.954 -4.520 4.396 1.00 0.00 N ATOM 626 CA PRO A 49 -8.048 -3.872 5.687 1.00 0.00 C ATOM 627 C PRO A 49 -7.321 -4.707 6.731 1.00 0.00 C ATOM 628 O PRO A 49 -7.273 -4.336 7.902 1.00 0.00 O ATOM 629 CB PRO A 49 -9.545 -3.806 5.983 1.00 0.00 C ATOM 630 CG PRO A 49 -10.088 -5.037 5.259 1.00 0.00 C ATOM 631 CD PRO A 49 -9.221 -5.096 4.003 1.00 0.00 C ATOM 0 HA PRO A 49 -7.593 -2.881 5.699 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.748 -3.844 7.053 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.992 -2.886 5.607 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.988 -5.939 5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -11.145 -4.931 5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.098 -6.122 3.656 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.673 -4.535 3.185 1.00 0.00 H new ATOM 639 N ALA A 50 -6.756 -5.839 6.305 1.00 0.00 N ATOM 640 CA ALA A 50 -6.038 -6.721 7.203 1.00 0.00 C ATOM 641 C ALA A 50 -4.576 -6.305 7.274 1.00 0.00 C ATOM 642 O ALA A 50 -3.858 -6.708 8.187 1.00 0.00 O ATOM 643 CB ALA A 50 -6.168 -8.160 6.713 1.00 0.00 C ATOM 0 H ALA A 50 -6.787 -6.160 5.337 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.464 -6.653 8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.628 -8.824 7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.220 -8.443 6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.748 -8.242 5.710 1.00 0.00 H new ATOM 649 N ASP A 51 -4.135 -5.496 6.308 1.00 0.00 N ATOM 650 CA ASP A 51 -2.763 -5.033 6.265 1.00 0.00 C ATOM 651 C ASP A 51 -2.736 -3.517 6.131 1.00 0.00 C ATOM 652 O ASP A 51 -1.794 -2.958 5.573 1.00 0.00 O ATOM 653 CB ASP A 51 -2.040 -5.693 5.095 1.00 0.00 C ATOM 654 CG ASP A 51 -2.838 -5.541 3.808 1.00 0.00 C ATOM 655 OD1 ASP A 51 -3.515 -4.498 3.679 1.00 0.00 O ATOM 656 OD2 ASP A 51 -2.756 -6.471 2.976 1.00 0.00 O ATOM 0 H ASP A 51 -4.718 -5.151 5.545 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.253 -5.306 7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.054 -5.244 4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.884 -6.751 5.308 1.00 0.00 H new ATOM 661 N PHE A 52 -3.773 -2.851 6.644 1.00 0.00 N ATOM 662 CA PHE A 52 -3.860 -1.406 6.577 1.00 0.00 C ATOM 663 C PHE A 52 -3.399 -0.799 7.895 1.00 0.00 C ATOM 664 O PHE A 52 -3.991 -1.059 8.941 1.00 0.00 O ATOM 665 CB PHE A 52 -5.297 -0.998 6.267 1.00 0.00 C ATOM 666 CG PHE A 52 -6.024 -0.404 7.450 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.547 0.768 8.048 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.177 -1.024 7.946 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.222 1.320 9.144 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.852 -0.472 9.041 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.375 0.699 9.640 1.00 0.00 C ATOM 0 H PHE A 52 -4.562 -3.299 7.110 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.211 -1.035 5.783 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.293 -0.274 5.452 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.846 -1.871 5.914 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.658 1.247 7.664 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.546 -1.928 7.484 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.854 2.224 9.606 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.741 -0.950 9.424 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.896 1.124 10.485 1.00 0.00 H new ATOM 681 N SER A 53 -2.339 0.011 7.843 1.00 0.00 N ATOM 682 CA SER A 53 -1.807 0.649 9.030 1.00 0.00 C ATOM 683 C SER A 53 -2.054 2.150 8.965 1.00 0.00 C ATOM 684 O SER A 53 -2.742 2.629 8.067 1.00 0.00 O ATOM 685 CB SER A 53 -0.315 0.351 9.142 1.00 0.00 C ATOM 686 OG SER A 53 0.194 0.934 10.321 1.00 0.00 O ATOM 0 H SER A 53 -1.837 0.236 6.984 1.00 0.00 H new ATOM 0 HA SER A 53 -2.310 0.257 9.914 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.148 -0.726 9.155 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.212 0.744 8.272 1.00 0.00 H new ATOM 0 HG SER A 53 1.152 0.741 10.394 1.00 0.00 H new ATOM 692 N SER A 54 -1.489 2.891 9.920 1.00 0.00 N ATOM 693 CA SER A 54 -1.649 4.331 9.964 1.00 0.00 C ATOM 694 C SER A 54 -0.386 4.974 10.519 1.00 0.00 C ATOM 695 O SER A 54 0.389 4.325 11.218 1.00 0.00 O ATOM 696 CB SER A 54 -2.859 4.681 10.827 1.00 0.00 C ATOM 697 OG SER A 54 -2.463 4.767 12.177 1.00 0.00 O ATOM 0 H SER A 54 -0.916 2.508 10.672 1.00 0.00 H new ATOM 0 HA SER A 54 -1.814 4.714 8.957 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.289 5.628 10.502 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.633 3.923 10.711 1.00 0.00 H new ATOM 0 HG SER A 54 -3.239 4.993 12.732 1.00 0.00 H new ATOM 703 N VAL A 55 -0.182 6.256 10.207 1.00 0.00 N ATOM 704 CA VAL A 55 0.983 6.981 10.675 1.00 0.00 C ATOM 705 C VAL A 55 0.787 8.473 10.447 1.00 0.00 C ATOM 706 O VAL A 55 -0.033 8.874 9.624 1.00 0.00 O ATOM 707 CB VAL A 55 2.222 6.479 9.940 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.987 6.556 8.434 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.420 7.348 10.313 1.00 0.00 C ATOM 0 H VAL A 55 -0.816 6.808 9.629 1.00 0.00 H new ATOM 0 HA VAL A 55 1.118 6.812 11.743 1.00 0.00 H new ATOM 0 HB VAL A 55 2.419 5.445 10.224 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.872 6.197 7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.131 5.936 8.167 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.790 7.589 8.149 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.306 6.990 9.789 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.222 8.382 10.029 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.588 7.293 11.389 1.00 0.00 H new ATOM 719 N THR A 56 1.542 9.296 11.178 1.00 0.00 N ATOM 720 CA THR A 56 1.444 10.735 11.048 1.00 0.00 C ATOM 721 C THR A 56 2.823 11.327 10.795 1.00 0.00 C ATOM 722 O THR A 56 3.800 10.925 11.423 1.00 0.00 O ATOM 723 CB THR A 56 0.830 11.320 12.317 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.322 10.584 12.662 1.00 0.00 O ATOM 725 CG2 THR A 56 0.449 12.777 12.073 1.00 0.00 C ATOM 0 H THR A 56 2.227 8.981 11.865 1.00 0.00 H new ATOM 0 HA THR A 56 0.803 10.983 10.202 1.00 0.00 H new ATOM 0 HB THR A 56 1.554 11.266 13.130 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.717 10.957 13.478 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.010 13.195 12.979 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.339 13.346 11.805 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.275 12.832 11.260 1.00 0.00 H new ATOM 733 N ALA A 57 2.901 12.287 9.869 1.00 0.00 N ATOM 734 CA ALA A 57 4.157 12.929 9.537 1.00 0.00 C ATOM 735 C ALA A 57 4.536 13.917 10.630 1.00 0.00 C ATOM 736 O ALA A 57 3.713 14.729 11.048 1.00 0.00 O ATOM 737 CB ALA A 57 4.025 13.635 8.191 1.00 0.00 C ATOM 0 H ALA A 57 2.100 12.631 9.339 1.00 0.00 H new ATOM 0 HA ALA A 57 4.945 12.180 9.464 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.969 14.119 7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.774 12.906 7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.237 14.386 8.250 1.00 0.00 H new ATOM 743 N ASP A 58 5.786 13.847 11.094 1.00 0.00 N ATOM 744 CA ASP A 58 6.265 14.733 12.135 1.00 0.00 C ATOM 745 C ASP A 58 6.481 16.128 11.565 1.00 0.00 C ATOM 746 O ASP A 58 6.139 16.390 10.415 1.00 0.00 O ATOM 747 CB ASP A 58 7.563 14.179 12.715 1.00 0.00 C ATOM 748 CG ASP A 58 8.632 14.058 11.639 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.391 14.597 10.537 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.670 13.428 11.937 1.00 0.00 O ATOM 0 H ASP A 58 6.480 13.180 10.758 1.00 0.00 H new ATOM 0 HA ASP A 58 5.525 14.798 12.932 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.917 14.832 13.513 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.378 13.202 13.161 1.00 0.00 H new ATOM 755 N ALA A 59 7.051 17.024 12.375 1.00 0.00 N ATOM 756 CA ALA A 59 7.307 18.385 11.948 1.00 0.00 C ATOM 757 C ALA A 59 8.261 18.382 10.762 1.00 0.00 C ATOM 758 O ALA A 59 8.326 19.355 10.014 1.00 0.00 O ATOM 759 CB ALA A 59 7.893 19.179 13.112 1.00 0.00 C ATOM 0 H ALA A 59 7.342 16.822 13.332 1.00 0.00 H new ATOM 0 HA ALA A 59 6.374 18.856 11.637 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.086 20.203 12.793 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.186 19.185 13.941 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.826 18.717 13.434 1.00 0.00 H new ATOM 765 N ASN A 60 9.003 17.285 10.592 1.00 0.00 N ATOM 766 CA ASN A 60 9.946 17.164 9.499 1.00 0.00 C ATOM 767 C ASN A 60 9.237 16.648 8.256 1.00 0.00 C ATOM 768 O ASN A 60 9.882 16.299 7.270 1.00 0.00 O ATOM 769 CB ASN A 60 11.076 16.222 9.907 1.00 0.00 C ATOM 770 CG ASN A 60 12.317 17.005 10.310 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.580 18.077 9.768 1.00 0.00 O ATOM 772 ND2 ASN A 60 13.080 16.468 11.264 1.00 0.00 N ATOM 0 H ASN A 60 8.962 16.470 11.204 1.00 0.00 H new ATOM 0 HA ASN A 60 10.368 18.142 9.270 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.751 15.596 10.738 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.315 15.555 9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.924 16.950 11.574 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.819 15.576 11.683 1.00 0.00 H new ATOM 779 N GLY A 61 7.903 16.601 8.303 1.00 0.00 N ATOM 780 CA GLY A 61 7.118 16.129 7.180 1.00 0.00 C ATOM 781 C GLY A 61 7.544 14.718 6.795 1.00 0.00 C ATOM 782 O GLY A 61 7.397 14.316 5.643 1.00 0.00 O ATOM 0 H GLY A 61 7.351 16.887 9.112 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.059 16.139 7.438 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.246 16.800 6.330 1.00 0.00 H new ATOM 786 N SER A 62 8.072 13.968 7.765 1.00 0.00 N ATOM 787 CA SER A 62 8.514 12.609 7.523 1.00 0.00 C ATOM 788 C SER A 62 7.761 11.651 8.434 1.00 0.00 C ATOM 789 O SER A 62 7.629 11.901 9.630 1.00 0.00 O ATOM 790 CB SER A 62 10.018 12.514 7.764 1.00 0.00 C ATOM 791 OG SER A 62 10.506 11.309 7.218 1.00 0.00 O ATOM 0 H SER A 62 8.201 14.288 8.725 1.00 0.00 H new ATOM 0 HA SER A 62 8.306 12.334 6.489 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.525 13.364 7.307 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.229 12.553 8.833 1.00 0.00 H new ATOM 0 HG SER A 62 9.982 11.074 6.424 1.00 0.00 H new ATOM 797 N ALA A 63 7.265 10.549 7.864 1.00 0.00 N ATOM 798 CA ALA A 63 6.529 9.561 8.625 1.00 0.00 C ATOM 799 C ALA A 63 7.218 8.208 8.516 1.00 0.00 C ATOM 800 O ALA A 63 7.955 7.960 7.564 1.00 0.00 O ATOM 801 CB ALA A 63 5.097 9.482 8.104 1.00 0.00 C ATOM 0 H ALA A 63 7.366 10.327 6.874 1.00 0.00 H new ATOM 0 HA ALA A 63 6.504 9.850 9.676 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.542 8.738 8.676 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.617 10.455 8.211 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.108 9.196 7.052 1.00 0.00 H new ATOM 807 N SER A 64 6.977 7.332 9.494 1.00 0.00 N ATOM 808 CA SER A 64 7.573 6.012 9.501 1.00 0.00 C ATOM 809 C SER A 64 6.546 4.983 9.952 1.00 0.00 C ATOM 810 O SER A 64 5.846 5.193 10.940 1.00 0.00 O ATOM 811 CB SER A 64 8.786 6.008 10.428 1.00 0.00 C ATOM 812 OG SER A 64 8.419 5.469 11.679 1.00 0.00 O ATOM 0 H SER A 64 6.369 7.523 10.291 1.00 0.00 H new ATOM 0 HA SER A 64 7.900 5.751 8.494 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.591 5.419 9.988 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.165 7.022 10.554 1.00 0.00 H new ATOM 0 HG SER A 64 9.197 5.465 12.274 1.00 0.00 H new ATOM 818 N THR A 65 6.459 3.866 9.226 1.00 0.00 N ATOM 819 CA THR A 65 5.520 2.814 9.558 1.00 0.00 C ATOM 820 C THR A 65 5.929 1.518 8.874 1.00 0.00 C ATOM 821 O THR A 65 6.820 1.514 8.026 1.00 0.00 O ATOM 822 CB THR A 65 4.116 3.232 9.129 1.00 0.00 C ATOM 823 OG1 THR A 65 3.275 3.282 10.260 1.00 0.00 O ATOM 824 CG2 THR A 65 3.566 2.217 8.131 1.00 0.00 C ATOM 0 H THR A 65 7.033 3.675 8.404 1.00 0.00 H new ATOM 0 HA THR A 65 5.523 2.648 10.635 1.00 0.00 H new ATOM 0 HB THR A 65 4.156 4.216 8.662 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.675 3.863 10.940 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.563 2.515 7.824 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.216 2.177 7.257 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.525 1.233 8.598 1.00 0.00 H new ATOM 832 N SER A 66 5.275 0.414 9.243 1.00 0.00 N ATOM 833 CA SER A 66 5.573 -0.880 8.663 1.00 0.00 C ATOM 834 C SER A 66 4.325 -1.449 8.002 1.00 0.00 C ATOM 835 O SER A 66 3.229 -1.349 8.549 1.00 0.00 O ATOM 836 CB SER A 66 6.084 -1.819 9.752 1.00 0.00 C ATOM 837 OG SER A 66 6.657 -1.061 10.794 1.00 0.00 O ATOM 0 H SER A 66 4.534 0.400 9.944 1.00 0.00 H new ATOM 0 HA SER A 66 6.346 -0.773 7.902 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.265 -2.426 10.137 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.823 -2.505 9.338 1.00 0.00 H new ATOM 0 HG SER A 66 6.984 -1.663 11.495 1.00 0.00 H new ATOM 843 N LEU A 67 4.495 -2.048 6.820 1.00 0.00 N ATOM 844 CA LEU A 67 3.385 -2.630 6.092 1.00 0.00 C ATOM 845 C LEU A 67 3.576 -4.136 5.977 1.00 0.00 C ATOM 846 O LEU A 67 4.553 -4.597 5.391 1.00 0.00 O ATOM 847 CB LEU A 67 3.294 -1.990 4.710 1.00 0.00 C ATOM 848 CG LEU A 67 1.844 -2.016 4.233 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.400 -3.462 4.032 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.953 -1.350 5.277 1.00 0.00 C ATOM 0 H LEU A 67 5.397 -2.138 6.353 1.00 0.00 H new ATOM 0 HA LEU A 67 2.455 -2.442 6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.657 -0.963 4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.930 -2.527 4.006 1.00 0.00 H new ATOM 0 HG LEU A 67 1.762 -1.477 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.365 -3.481 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.036 -3.938 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.481 -4.002 4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.082 -1.368 4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.034 -1.888 6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.270 -0.317 5.420 1.00 0.00 H new ATOM 862 N THR A 68 2.639 -4.903 6.538 1.00 0.00 N ATOM 863 CA THR A 68 2.712 -6.349 6.493 1.00 0.00 C ATOM 864 C THR A 68 2.439 -6.839 5.078 1.00 0.00 C ATOM 865 O THR A 68 1.517 -6.361 4.420 1.00 0.00 O ATOM 866 CB THR A 68 1.701 -6.939 7.473 1.00 0.00 C ATOM 867 OG1 THR A 68 1.346 -8.239 7.056 1.00 0.00 O ATOM 868 CG2 THR A 68 0.455 -6.059 7.511 1.00 0.00 C ATOM 0 H THR A 68 1.822 -4.538 7.028 1.00 0.00 H new ATOM 0 HA THR A 68 3.712 -6.674 6.781 1.00 0.00 H new ATOM 0 HB THR A 68 2.144 -6.984 8.468 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.847 -8.899 7.579 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.267 -6.480 8.211 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.729 -5.054 7.833 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.012 -6.013 6.516 1.00 0.00 H new ATOM 876 N VAL A 69 3.245 -7.795 4.611 1.00 0.00 N ATOM 877 CA VAL A 69 3.088 -8.344 3.279 1.00 0.00 C ATOM 878 C VAL A 69 2.199 -9.578 3.332 1.00 0.00 C ATOM 879 O VAL A 69 2.469 -10.508 4.090 1.00 0.00 O ATOM 880 CB VAL A 69 4.460 -8.690 2.708 1.00 0.00 C ATOM 881 CG1 VAL A 69 4.407 -10.068 2.054 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.854 -7.648 1.665 1.00 0.00 C ATOM 0 H VAL A 69 4.014 -8.201 5.145 1.00 0.00 H new ATOM 0 HA VAL A 69 2.614 -7.607 2.630 1.00 0.00 H new ATOM 0 HB VAL A 69 5.196 -8.697 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.387 -10.315 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.125 -10.813 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.671 -10.061 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.834 -7.894 1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.117 -7.641 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.892 -6.663 2.131 1.00 0.00 H new ATOM 892 N ARG A 70 1.136 -9.586 2.524 1.00 0.00 N ATOM 893 CA ARG A 70 0.214 -10.703 2.484 1.00 0.00 C ATOM 894 C ARG A 70 0.220 -11.326 1.096 1.00 0.00 C ATOM 895 O ARG A 70 0.283 -10.616 0.094 1.00 0.00 O ATOM 896 CB ARG A 70 -1.185 -10.219 2.853 1.00 0.00 C ATOM 897 CG ARG A 70 -1.371 -10.307 4.365 1.00 0.00 C ATOM 898 CD ARG A 70 -0.155 -9.705 5.063 1.00 0.00 C ATOM 899 NE ARG A 70 -0.445 -9.415 6.468 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.304 -10.326 7.441 1.00 0.00 C ATOM 901 NH1 ARG A 70 0.119 -11.562 7.145 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.587 -10.000 8.709 1.00 0.00 N ATOM 0 H ARG A 70 0.899 -8.823 1.889 1.00 0.00 H new ATOM 0 HA ARG A 70 0.523 -11.462 3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.326 -9.192 2.518 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.936 -10.825 2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.275 -9.775 4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.499 -11.347 4.666 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.685 -10.396 4.997 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.144 -8.789 4.554 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.768 -8.480 6.717 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.334 -11.810 6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.226 -12.255 7.885 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.910 -9.059 8.934 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.480 -10.693 9.450 1.00 0.00 H new ATOM 916 N ARG A 71 0.154 -12.658 1.037 1.00 0.00 N ATOM 917 CA ARG A 71 0.152 -13.370 -0.225 1.00 0.00 C ATOM 918 C ARG A 71 -1.256 -13.394 -0.802 1.00 0.00 C ATOM 919 O ARG A 71 -1.441 -13.682 -1.982 1.00 0.00 O ATOM 920 CB ARG A 71 0.672 -14.788 -0.009 1.00 0.00 C ATOM 921 CG ARG A 71 -0.236 -15.518 0.977 1.00 0.00 C ATOM 922 CD ARG A 71 -0.704 -16.833 0.360 1.00 0.00 C ATOM 923 NE ARG A 71 -2.001 -17.235 0.902 1.00 0.00 N ATOM 924 CZ ARG A 71 -2.682 -18.295 0.446 1.00 0.00 C ATOM 925 NH1 ARG A 71 -2.176 -19.039 -0.548 1.00 0.00 N ATOM 926 NH2 ARG A 71 -3.868 -18.613 0.983 1.00 0.00 N ATOM 0 H ARG A 71 0.101 -13.260 1.858 1.00 0.00 H new ATOM 0 HA ARG A 71 0.805 -12.862 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.702 -15.324 -0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.692 -14.758 0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.299 -15.710 1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.095 -14.895 1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.776 -16.725 -0.722 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.033 -17.612 0.555 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.405 -16.685 1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.273 -18.798 -0.957 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.694 -19.846 -0.896 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.253 -18.048 1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.385 -19.420 0.635 1.00 0.00 H new ATOM 940 N SER A 72 -2.251 -13.089 0.035 1.00 0.00 N ATOM 941 CA SER A 72 -3.634 -13.077 -0.396 1.00 0.00 C ATOM 942 C SER A 72 -4.498 -12.402 0.659 1.00 0.00 C ATOM 943 O SER A 72 -4.167 -12.422 1.842 1.00 0.00 O ATOM 944 CB SER A 72 -4.102 -14.508 -0.644 1.00 0.00 C ATOM 945 OG SER A 72 -3.312 -15.091 -1.656 1.00 0.00 O ATOM 0 H SER A 72 -2.114 -12.848 1.017 1.00 0.00 H new ATOM 0 HA SER A 72 -3.724 -12.514 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.026 -15.091 0.274 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.151 -14.513 -0.938 1.00 0.00 H new ATOM 0 HG SER A 72 -3.884 -15.607 -2.261 1.00 0.00 H new ATOM 951 N PHE A 73 -5.611 -11.803 0.229 1.00 0.00 N ATOM 952 CA PHE A 73 -6.515 -11.128 1.138 1.00 0.00 C ATOM 953 C PHE A 73 -7.730 -10.619 0.376 1.00 0.00 C ATOM 954 O PHE A 73 -7.694 -10.502 -0.847 1.00 0.00 O ATOM 955 CB PHE A 73 -5.782 -9.977 1.820 1.00 0.00 C ATOM 956 CG PHE A 73 -4.963 -9.137 0.870 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.589 -8.455 -0.180 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.577 -9.037 1.041 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.829 -7.674 -1.059 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.817 -8.257 0.162 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.443 -7.575 -0.889 1.00 0.00 C ATOM 0 H PHE A 73 -5.901 -11.777 -0.749 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.858 -11.826 1.901 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.510 -9.339 2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.127 -10.381 2.592 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.658 -8.531 -0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.094 -9.562 1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.312 -7.148 -1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.748 -8.181 0.294 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.857 -6.973 -1.568 1.00 0.00 H new ATOM 971 N GLU A 74 -8.809 -10.315 1.102 1.00 0.00 N ATOM 972 CA GLU A 74 -10.025 -9.820 0.489 1.00 0.00 C ATOM 973 C GLU A 74 -9.756 -8.489 -0.198 1.00 0.00 C ATOM 974 O GLU A 74 -9.517 -7.482 0.465 1.00 0.00 O ATOM 975 CB GLU A 74 -11.106 -9.669 1.555 1.00 0.00 C ATOM 976 CG GLU A 74 -10.594 -8.766 2.674 1.00 0.00 C ATOM 977 CD GLU A 74 -10.759 -9.435 4.031 1.00 0.00 C ATOM 978 OE1 GLU A 74 -11.926 -9.703 4.393 1.00 0.00 O ATOM 979 OE2 GLU A 74 -9.717 -9.666 4.681 1.00 0.00 O ATOM 0 H GLU A 74 -8.856 -10.406 2.117 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.370 -10.529 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.009 -9.245 1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.375 -10.646 1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.543 -8.532 2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.137 -7.821 2.662 1.00 0.00 H new ATOM 986 N GLY A 75 -9.795 -8.485 -1.533 1.00 0.00 N ATOM 987 CA GLY A 75 -9.556 -7.277 -2.298 1.00 0.00 C ATOM 988 C GLY A 75 -10.713 -6.304 -2.122 1.00 0.00 C ATOM 989 O GLY A 75 -11.710 -6.386 -2.835 1.00 0.00 O ATOM 0 H GLY A 75 -9.991 -9.310 -2.099 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.626 -6.810 -1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.437 -7.524 -3.353 1.00 0.00 H new ATOM 993 N PHE A 76 -10.578 -5.379 -1.168 1.00 0.00 N ATOM 994 CA PHE A 76 -11.611 -4.397 -0.906 1.00 0.00 C ATOM 995 C PHE A 76 -11.479 -3.236 -1.881 1.00 0.00 C ATOM 996 O PHE A 76 -10.661 -2.341 -1.677 1.00 0.00 O ATOM 997 CB PHE A 76 -11.493 -3.910 0.536 1.00 0.00 C ATOM 998 CG PHE A 76 -12.516 -4.522 1.464 1.00 0.00 C ATOM 999 CD1 PHE A 76 -13.840 -4.069 1.441 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.139 -5.539 2.349 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -14.788 -4.634 2.302 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.086 -6.104 3.210 1.00 0.00 C ATOM 1003 CZ PHE A 76 -14.411 -5.651 3.187 1.00 0.00 C ATOM 0 H PHE A 76 -9.758 -5.297 -0.567 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.593 -4.850 -1.044 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.494 -4.138 0.908 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.600 -2.825 0.555 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.130 -3.284 0.759 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.117 -5.888 2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.810 -4.285 2.284 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -12.795 -6.889 3.892 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.142 -6.086 3.852 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.288 -3.251 -2.943 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.258 -2.202 -3.942 1.00 0.00 C ATOM 1015 C LEU A 77 -12.469 -0.849 -3.277 1.00 0.00 C ATOM 1016 O LEU A 77 -13.256 -0.731 -2.340 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.339 -2.464 -4.987 1.00 0.00 C ATOM 1018 CG LEU A 77 -13.825 -1.137 -5.561 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.690 -0.472 -6.336 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.002 -1.388 -6.499 1.00 0.00 C ATOM 0 H LEU A 77 -12.972 -3.985 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.287 -2.194 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.944 -3.094 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.172 -3.004 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.142 -0.484 -4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.037 0.476 -6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.849 -0.292 -5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.373 -1.125 -7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.349 -0.440 -6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.686 -2.041 -7.312 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.813 -1.863 -5.946 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.763 0.174 -3.764 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.879 1.510 -3.214 1.00 0.00 C ATOM 1034 C PHE A 78 -13.347 1.881 -3.061 1.00 0.00 C ATOM 1035 O PHE A 78 -13.743 2.450 -2.046 1.00 0.00 O ATOM 1036 CB PHE A 78 -11.164 2.499 -4.131 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.788 2.887 -3.643 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -8.833 1.898 -3.381 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -9.467 4.237 -3.456 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.558 2.258 -2.931 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -8.192 4.597 -3.006 1.00 0.00 C ATOM 1042 CZ PHE A 78 -7.237 3.608 -2.744 1.00 0.00 C ATOM 0 H PHE A 78 -11.106 0.094 -4.540 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.413 1.544 -2.229 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -11.078 2.063 -5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.773 3.398 -4.228 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -9.080 0.857 -3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -10.203 5.000 -3.659 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.822 1.495 -2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.945 5.638 -2.861 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.253 3.886 -2.398 1.00 0.00 H new ATOM 1052 N ASP A 79 -14.155 1.557 -4.072 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.573 1.857 -4.045 1.00 0.00 C ATOM 1054 C ASP A 79 -16.213 1.207 -2.827 1.00 0.00 C ATOM 1055 O ASP A 79 -17.319 1.573 -2.436 1.00 0.00 O ATOM 1056 CB ASP A 79 -16.223 1.355 -5.331 1.00 0.00 C ATOM 1057 CG ASP A 79 -15.348 1.661 -6.538 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -14.623 2.677 -6.471 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -15.421 0.873 -7.506 1.00 0.00 O ATOM 0 H ASP A 79 -13.842 1.085 -4.920 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.720 2.935 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.392 0.280 -5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -17.199 1.823 -5.457 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.515 0.241 -2.225 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.023 -0.450 -1.057 1.00 0.00 C ATOM 1066 C GLY A 80 -16.746 -1.724 -1.471 1.00 0.00 C ATOM 1067 O GLY A 80 -17.651 -2.181 -0.777 1.00 0.00 O ATOM 0 H GLY A 80 -14.596 -0.075 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.201 -0.692 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.704 0.201 -0.508 1.00 0.00 H new ATOM 1071 N THR A 81 -16.345 -2.298 -2.608 1.00 0.00 N ATOM 1072 CA THR A 81 -16.957 -3.514 -3.104 1.00 0.00 C ATOM 1073 C THR A 81 -16.016 -4.692 -2.894 1.00 0.00 C ATOM 1074 O THR A 81 -14.826 -4.599 -3.187 1.00 0.00 O ATOM 1075 CB THR A 81 -17.291 -3.347 -4.584 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.429 -2.526 -4.719 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.574 -4.714 -5.199 1.00 0.00 C ATOM 0 H THR A 81 -15.597 -1.932 -3.197 1.00 0.00 H new ATOM 0 HA THR A 81 -17.878 -3.710 -2.555 1.00 0.00 H new ATOM 0 HB THR A 81 -16.447 -2.886 -5.097 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.643 -2.417 -5.669 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.813 -4.595 -6.256 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.694 -5.349 -5.095 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.418 -5.176 -4.686 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.554 -5.802 -2.384 1.00 0.00 N ATOM 1086 CA ARG A 82 -15.763 -6.991 -2.137 1.00 0.00 C ATOM 1087 C ARG A 82 -15.365 -7.630 -3.459 1.00 0.00 C ATOM 1088 O ARG A 82 -16.100 -8.454 -3.999 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.568 -7.968 -1.285 1.00 0.00 C ATOM 1090 CG ARG A 82 -17.997 -8.047 -1.816 1.00 0.00 C ATOM 1091 CD ARG A 82 -18.932 -7.290 -0.877 1.00 0.00 C ATOM 1092 NE ARG A 82 -20.198 -6.975 -1.538 1.00 0.00 N ATOM 1093 CZ ARG A 82 -21.307 -6.644 -0.863 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -21.285 -6.591 0.476 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -22.438 -6.367 -1.526 1.00 0.00 N ATOM 0 H ARG A 82 -17.539 -5.894 -2.136 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.854 -6.722 -1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.105 -8.954 -1.308 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.572 -7.642 -0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.048 -7.621 -2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.309 -9.088 -1.896 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -19.122 -7.889 0.013 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.452 -6.369 -0.545 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.238 -7.009 -2.557 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -20.424 -6.803 0.981 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -22.129 -6.339 0.990 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -22.455 -6.408 -2.545 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -23.282 -6.115 -1.012 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.197 -7.249 -3.982 1.00 0.00 N ATOM 1110 CA TRP A 83 -13.711 -7.790 -5.235 1.00 0.00 C ATOM 1111 C TRP A 83 -13.487 -9.290 -5.100 1.00 0.00 C ATOM 1112 O TRP A 83 -13.934 -10.065 -5.943 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.417 -7.083 -5.626 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.308 -6.722 -7.073 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -12.388 -5.469 -7.573 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -12.103 -7.598 -8.223 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -12.247 -5.510 -8.944 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.068 -6.800 -9.399 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -11.942 -8.984 -8.393 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -11.884 -7.346 -10.672 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -11.757 -9.542 -9.666 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -11.728 -8.728 -10.805 1.00 0.00 C ATOM 0 H TRP A 83 -13.575 -6.566 -3.549 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.451 -7.624 -6.017 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.323 -6.174 -5.032 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -11.576 -7.724 -5.362 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -12.539 -4.573 -6.989 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -12.272 -4.688 -9.547 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.961 -9.630 -7.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.863 -6.707 -11.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -11.636 -10.610 -9.769 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -11.586 -9.166 -11.782 1.00 0.00 H new ATOM 1133 N GLY A 84 -12.792 -9.698 -4.036 1.00 0.00 N ATOM 1134 CA GLY A 84 -12.515 -11.101 -3.801 1.00 0.00 C ATOM 1135 C GLY A 84 -11.100 -11.277 -3.266 1.00 0.00 C ATOM 1136 O GLY A 84 -10.297 -10.348 -3.312 1.00 0.00 O ATOM 0 H GLY A 84 -12.414 -9.069 -3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.234 -11.506 -3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.633 -11.662 -4.728 1.00 0.00 H new ATOM 1140 N THR A 85 -10.797 -12.473 -2.757 1.00 0.00 N ATOM 1141 CA THR A 85 -9.483 -12.760 -2.219 1.00 0.00 C ATOM 1142 C THR A 85 -8.445 -12.709 -3.331 1.00 0.00 C ATOM 1143 O THR A 85 -8.342 -13.636 -4.132 1.00 0.00 O ATOM 1144 CB THR A 85 -9.496 -14.134 -1.555 1.00 0.00 C ATOM 1145 OG1 THR A 85 -10.763 -14.367 -0.982 1.00 0.00 O ATOM 1146 CG2 THR A 85 -8.429 -14.182 -0.465 1.00 0.00 C ATOM 0 H THR A 85 -11.451 -13.254 -2.710 1.00 0.00 H new ATOM 0 HA THR A 85 -9.221 -12.011 -1.472 1.00 0.00 H new ATOM 0 HB THR A 85 -9.288 -14.900 -2.302 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.772 -15.250 -0.557 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.438 -15.163 0.010 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.449 -14.001 -0.907 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.637 -13.416 0.282 1.00 0.00 H new ATOM 1154 N VAL A 86 -7.673 -11.621 -3.378 1.00 0.00 N ATOM 1155 CA VAL A 86 -6.648 -11.453 -4.388 1.00 0.00 C ATOM 1156 C VAL A 86 -5.419 -12.270 -4.015 1.00 0.00 C ATOM 1157 O VAL A 86 -5.163 -12.507 -2.836 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.296 -9.974 -4.514 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -7.579 -9.149 -4.569 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.466 -9.544 -3.308 1.00 0.00 C ATOM 0 H VAL A 86 -7.746 -10.844 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.018 -11.808 -5.350 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.721 -9.814 -5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.328 -8.092 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.172 -9.456 -5.430 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.154 -9.309 -3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.214 -8.487 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.040 -9.704 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.550 -10.133 -3.268 1.00 0.00 H new ATOM 1170 N ASP A 87 -4.657 -12.700 -5.023 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.461 -13.487 -4.796 1.00 0.00 C ATOM 1172 C ASP A 87 -2.229 -12.662 -5.140 1.00 0.00 C ATOM 1173 O ASP A 87 -1.810 -12.623 -6.295 1.00 0.00 O ATOM 1174 CB ASP A 87 -3.519 -14.754 -5.644 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.069 -15.923 -4.839 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.663 -15.648 -3.773 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -3.886 -17.068 -5.304 1.00 0.00 O ATOM 0 H ASP A 87 -4.855 -12.511 -6.006 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.401 -13.772 -3.746 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.147 -14.582 -6.518 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.522 -14.997 -6.010 1.00 0.00 H new ATOM 1182 N CYS A 88 -1.649 -12.003 -4.135 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.471 -11.184 -4.335 1.00 0.00 C ATOM 1184 C CYS A 88 0.593 -11.985 -5.073 1.00 0.00 C ATOM 1185 O CYS A 88 1.438 -11.414 -5.758 1.00 0.00 O ATOM 1186 CB CYS A 88 0.052 -10.706 -2.983 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.804 -9.248 -2.337 1.00 0.00 S ATOM 0 H CYS A 88 -1.985 -12.027 -3.172 1.00 0.00 H new ATOM 0 HA CYS A 88 -0.726 -10.313 -4.938 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.040 -11.518 -2.262 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.114 -10.480 -3.075 1.00 0.00 H new ATOM 1192 N THR A 89 0.550 -13.312 -4.931 1.00 0.00 N ATOM 1193 CA THR A 89 1.510 -14.178 -5.585 1.00 0.00 C ATOM 1194 C THR A 89 1.102 -14.403 -7.034 1.00 0.00 C ATOM 1195 O THR A 89 1.775 -15.124 -7.767 1.00 0.00 O ATOM 1196 CB THR A 89 1.591 -15.504 -4.834 1.00 0.00 C ATOM 1197 OG1 THR A 89 0.293 -15.919 -4.472 1.00 0.00 O ATOM 1198 CG2 THR A 89 2.437 -15.326 -3.577 1.00 0.00 C ATOM 0 H THR A 89 -0.144 -13.802 -4.366 1.00 0.00 H new ATOM 0 HA THR A 89 2.494 -13.708 -5.575 1.00 0.00 H new ATOM 0 HB THR A 89 2.048 -16.258 -5.476 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.344 -16.771 -3.991 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.495 -16.273 -3.040 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.441 -15.005 -3.856 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.981 -14.573 -2.935 1.00 0.00 H new ATOM 1206 N THR A 90 -0.006 -13.784 -7.447 1.00 0.00 N ATOM 1207 CA THR A 90 -0.494 -13.920 -8.805 1.00 0.00 C ATOM 1208 C THR A 90 -0.480 -12.567 -9.500 1.00 0.00 C ATOM 1209 O THR A 90 -0.356 -12.494 -10.721 1.00 0.00 O ATOM 1210 CB THR A 90 -1.905 -14.502 -8.781 1.00 0.00 C ATOM 1211 OG1 THR A 90 -1.832 -15.908 -8.722 1.00 0.00 O ATOM 1212 CG2 THR A 90 -2.649 -14.083 -10.046 1.00 0.00 C ATOM 0 H THR A 90 -0.578 -13.184 -6.852 1.00 0.00 H new ATOM 0 HA THR A 90 0.155 -14.596 -9.362 1.00 0.00 H new ATOM 0 HB THR A 90 -2.438 -14.129 -7.906 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.738 -16.282 -8.705 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.657 -14.498 -10.030 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.705 -12.995 -10.092 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.117 -14.456 -10.921 1.00 0.00 H new ATOM 1220 N ALA A 91 -0.608 -11.492 -8.718 1.00 0.00 N ATOM 1221 CA ALA A 91 -0.610 -10.148 -9.260 1.00 0.00 C ATOM 1222 C ALA A 91 0.385 -9.284 -8.499 1.00 0.00 C ATOM 1223 O ALA A 91 1.045 -9.759 -7.577 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.017 -9.565 -9.164 1.00 0.00 C ATOM 0 H ALA A 91 -0.712 -11.536 -7.704 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.312 -10.173 -10.308 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.020 -8.554 -9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.708 -10.187 -9.732 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.329 -9.537 -8.120 1.00 0.00 H new ATOM 1230 N ALA A 92 0.492 -8.011 -8.888 1.00 0.00 N ATOM 1231 CA ALA A 92 1.405 -7.089 -8.243 1.00 0.00 C ATOM 1232 C ALA A 92 0.662 -6.279 -7.191 1.00 0.00 C ATOM 1233 O ALA A 92 -0.330 -5.621 -7.498 1.00 0.00 O ATOM 1234 CB ALA A 92 2.026 -6.173 -9.293 1.00 0.00 C ATOM 0 H ALA A 92 -0.049 -7.603 -9.650 1.00 0.00 H new ATOM 0 HA ALA A 92 2.201 -7.645 -7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.713 -5.479 -8.809 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.570 -6.773 -10.023 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.239 -5.612 -9.798 1.00 0.00 H new ATOM 1240 N CYS A 93 1.144 -6.327 -5.947 1.00 0.00 N ATOM 1241 CA CYS A 93 0.526 -5.600 -4.857 1.00 0.00 C ATOM 1242 C CYS A 93 1.364 -4.377 -4.514 1.00 0.00 C ATOM 1243 O CYS A 93 2.563 -4.349 -4.779 1.00 0.00 O ATOM 1244 CB CYS A 93 0.388 -6.519 -3.647 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.732 -7.917 -3.908 1.00 0.00 S ATOM 0 H CYS A 93 1.966 -6.868 -5.678 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.467 -5.264 -5.155 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.373 -6.901 -3.380 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.032 -5.935 -2.799 1.00 0.00 H new ATOM 1250 N GLN A 94 0.729 -3.362 -3.921 1.00 0.00 N ATOM 1251 CA GLN A 94 1.418 -2.144 -3.547 1.00 0.00 C ATOM 1252 C GLN A 94 0.840 -1.602 -2.248 1.00 0.00 C ATOM 1253 O GLN A 94 -0.350 -1.758 -1.983 1.00 0.00 O ATOM 1254 CB GLN A 94 1.282 -1.119 -4.669 1.00 0.00 C ATOM 1255 CG GLN A 94 0.178 -0.125 -4.320 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.396 0.513 -5.577 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -1.228 -0.086 -6.254 1.00 0.00 O ATOM 1258 NE2 GLN A 94 0.053 1.731 -5.888 1.00 0.00 N ATOM 0 H GLN A 94 -0.265 -3.369 -3.693 1.00 0.00 H new ATOM 0 HA GLN A 94 2.476 -2.354 -3.390 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.226 -0.594 -4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.050 -1.621 -5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.615 -0.634 -3.771 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.575 0.649 -3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.745 2.187 -5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -0.296 2.206 -6.721 1.00 0.00 H new ATOM 1267 N VAL A 95 1.686 -0.962 -1.437 1.00 0.00 N ATOM 1268 CA VAL A 95 1.256 -0.400 -0.172 1.00 0.00 C ATOM 1269 C VAL A 95 1.080 1.105 -0.311 1.00 0.00 C ATOM 1270 O VAL A 95 1.682 1.724 -1.185 1.00 0.00 O ATOM 1271 CB VAL A 95 2.286 -0.727 0.905 1.00 0.00 C ATOM 1272 CG1 VAL A 95 2.100 0.215 2.091 1.00 0.00 C ATOM 1273 CG2 VAL A 95 2.098 -2.169 1.367 1.00 0.00 C ATOM 0 H VAL A 95 2.675 -0.824 -1.643 1.00 0.00 H new ATOM 0 HA VAL A 95 0.298 -0.833 0.117 1.00 0.00 H new ATOM 0 HB VAL A 95 3.289 -0.603 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.836 -0.019 2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.234 1.245 1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.097 0.092 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.834 -2.403 2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.095 -2.293 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.231 -2.843 0.520 1.00 0.00 H new ATOM 1283 N GLY A 96 0.252 1.695 0.555 1.00 0.00 N ATOM 1284 CA GLY A 96 0.005 3.122 0.520 1.00 0.00 C ATOM 1285 C GLY A 96 -0.878 3.534 1.689 1.00 0.00 C ATOM 1286 O GLY A 96 -1.566 2.700 2.275 1.00 0.00 O ATOM 0 H GLY A 96 -0.255 1.198 1.287 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.951 3.663 0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.476 3.392 -0.420 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.857 4.825 2.029 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.653 5.340 3.125 1.00 0.00 C ATOM 1292 C LEU A 97 -2.464 6.539 2.655 1.00 0.00 C ATOM 1293 O LEU A 97 -2.087 7.209 1.696 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.736 5.728 4.281 1.00 0.00 C ATOM 1295 CG LEU A 97 0.252 6.793 3.811 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.572 7.735 4.967 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.535 6.120 3.332 1.00 0.00 C ATOM 0 H LEU A 97 -0.292 5.529 1.553 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.344 4.571 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.326 6.107 5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.198 4.852 4.642 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.188 7.361 2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.277 8.496 4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.345 8.216 5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.012 7.168 5.787 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.241 6.880 2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.976 5.552 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.306 5.447 2.506 1.00 0.00 H new ATOM 1309 N SER A 98 -3.582 6.809 3.333 1.00 0.00 N ATOM 1310 CA SER A 98 -4.437 7.925 2.983 1.00 0.00 C ATOM 1311 C SER A 98 -5.013 8.551 4.245 1.00 0.00 C ATOM 1312 O SER A 98 -5.313 7.849 5.208 1.00 0.00 O ATOM 1313 CB SER A 98 -5.554 7.439 2.063 1.00 0.00 C ATOM 1314 OG SER A 98 -5.173 7.631 0.719 1.00 0.00 O ATOM 0 H SER A 98 -3.910 6.262 4.129 1.00 0.00 H new ATOM 0 HA SER A 98 -3.855 8.683 2.459 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.758 6.384 2.247 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.475 7.983 2.272 1.00 0.00 H new ATOM 0 HG SER A 98 -5.889 7.318 0.128 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.167 9.877 4.238 1.00 0.00 N ATOM 1321 CA ASP A 99 -5.704 10.591 5.379 1.00 0.00 C ATOM 1322 C ASP A 99 -7.216 10.709 5.247 1.00 0.00 C ATOM 1323 O ASP A 99 -7.833 9.972 4.482 1.00 0.00 O ATOM 1324 CB ASP A 99 -5.059 11.971 5.465 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.882 13.004 4.710 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.142 12.757 3.512 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -6.236 14.022 5.343 1.00 0.00 O ATOM 0 H ASP A 99 -4.924 10.473 3.447 1.00 0.00 H new ATOM 0 HA ASP A 99 -5.480 10.043 6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.965 12.268 6.509 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.051 11.932 5.053 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.811 11.640 5.996 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.245 11.848 5.960 1.00 0.00 C ATOM 1334 C ALA A 100 -9.673 12.241 4.553 1.00 0.00 C ATOM 1335 O ALA A 100 -10.613 11.668 4.006 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.626 12.933 6.964 1.00 0.00 C ATOM 0 H ALA A 100 -7.312 12.260 6.634 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.758 10.925 6.230 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.704 13.090 6.938 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.329 12.622 7.966 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.117 13.862 6.706 1.00 0.00 H new ATOM 1342 N ALA A 101 -8.981 13.221 3.968 1.00 0.00 N ATOM 1343 CA ALA A 101 -9.293 13.685 2.632 1.00 0.00 C ATOM 1344 C ALA A 101 -8.892 12.628 1.612 1.00 0.00 C ATOM 1345 O ALA A 101 -9.444 12.581 0.515 1.00 0.00 O ATOM 1346 CB ALA A 101 -8.561 14.998 2.366 1.00 0.00 C ATOM 0 H ALA A 101 -8.199 13.705 4.409 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.366 13.858 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -8.795 15.348 1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.878 15.745 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.486 14.840 2.454 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.929 11.778 1.976 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.464 10.730 1.089 1.00 0.00 C ATOM 1354 C GLY A 102 -6.154 11.139 0.431 1.00 0.00 C ATOM 1355 O GLY A 102 -5.962 10.923 -0.763 1.00 0.00 O ATOM 0 H GLY A 102 -7.461 11.802 2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.325 9.805 1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.216 10.530 0.325 1.00 0.00 H new ATOM 1359 N ASN A 103 -5.250 11.732 1.215 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.966 12.167 0.705 1.00 0.00 C ATOM 1361 C ASN A 103 -2.844 11.477 1.468 1.00 0.00 C ATOM 1362 O ASN A 103 -3.099 10.723 2.405 1.00 0.00 O ATOM 1363 CB ASN A 103 -3.855 13.683 0.835 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.379 14.153 2.184 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.707 13.744 3.263 1.00 0.00 O flip ATOM 1366 ND2 ASN A 103 -5.375 14.870 2.249 1.00 0.00 N flip ATOM 0 H ASN A 103 -5.393 11.918 2.208 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.880 11.898 -0.348 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -2.815 13.987 0.719 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.418 14.163 0.035 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.854 15.156 1.395 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.723 15.179 3.157 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.597 11.737 1.067 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.448 11.140 1.717 1.00 0.00 C ATOM 1375 C GLY A 104 0.573 10.696 0.679 1.00 0.00 C ATOM 1376 O GLY A 104 0.414 10.969 -0.509 1.00 0.00 O ATOM 0 H GLY A 104 -1.366 12.360 0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.006 11.858 2.400 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.763 10.286 2.316 1.00 0.00 H new ATOM 1380 N PRO A 105 1.625 10.010 1.131 1.00 0.00 N ATOM 1381 CA PRO A 105 2.693 9.507 0.294 1.00 0.00 C ATOM 1382 C PRO A 105 2.186 8.328 -0.526 1.00 0.00 C ATOM 1383 O PRO A 105 1.529 7.437 0.006 1.00 0.00 O ATOM 1384 CB PRO A 105 3.782 9.068 1.269 1.00 0.00 C ATOM 1385 CG PRO A 105 2.984 8.656 2.505 1.00 0.00 C ATOM 1386 CD PRO A 105 1.844 9.672 2.521 1.00 0.00 C ATOM 0 HA PRO A 105 3.065 10.250 -0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.370 8.240 0.873 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.479 9.877 1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.614 7.634 2.426 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.586 8.708 3.412 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.945 9.250 2.971 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.109 10.554 3.105 1.00 0.00 H new ATOM 1394 N GLU A 106 2.494 8.326 -1.825 1.00 0.00 N ATOM 1395 CA GLU A 106 2.067 7.258 -2.707 1.00 0.00 C ATOM 1396 C GLU A 106 3.186 6.907 -3.677 1.00 0.00 C ATOM 1397 O GLU A 106 4.109 7.695 -3.875 1.00 0.00 O ATOM 1398 CB GLU A 106 0.814 7.692 -3.461 1.00 0.00 C ATOM 1399 CG GLU A 106 0.863 9.198 -3.704 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.154 9.611 -4.758 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.269 9.047 -4.724 1.00 0.00 O ATOM 1402 OE2 GLU A 106 0.202 10.484 -5.579 1.00 0.00 O ATOM 0 H GLU A 106 3.039 9.057 -2.282 1.00 0.00 H new ATOM 0 HA GLU A 106 1.833 6.370 -2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 106 0.746 7.162 -4.411 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -0.076 7.434 -2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.663 9.727 -2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 106 1.864 9.486 -4.026 1.00 0.00 H new ATOM 1409 N GLY A 107 3.103 5.721 -4.285 1.00 0.00 N ATOM 1410 CA GLY A 107 4.108 5.278 -5.230 1.00 0.00 C ATOM 1411 C GLY A 107 4.910 4.124 -4.644 1.00 0.00 C ATOM 1412 O GLY A 107 6.139 4.162 -4.631 1.00 0.00 O ATOM 0 H GLY A 107 2.345 5.055 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.631 4.964 -6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.774 6.105 -5.477 1.00 0.00 H new ATOM 1416 N VAL A 108 4.211 3.096 -4.159 1.00 0.00 N ATOM 1417 CA VAL A 108 4.858 1.938 -3.575 1.00 0.00 C ATOM 1418 C VAL A 108 4.354 0.671 -4.251 1.00 0.00 C ATOM 1419 O VAL A 108 3.258 0.201 -3.954 1.00 0.00 O ATOM 1420 CB VAL A 108 4.575 1.901 -2.076 1.00 0.00 C ATOM 1421 CG1 VAL A 108 4.742 0.474 -1.562 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.554 2.820 -1.351 1.00 0.00 C ATOM 0 H VAL A 108 3.192 3.050 -4.163 1.00 0.00 H new ATOM 0 HA VAL A 108 5.936 2.003 -3.726 1.00 0.00 H new ATOM 0 HB VAL A 108 3.555 2.237 -1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.540 0.447 -0.491 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.043 -0.183 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.762 0.138 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.352 2.794 -0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.574 2.484 -1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.436 3.840 -1.718 1.00 0.00 H new ATOM 1432 N ALA A 109 5.158 0.119 -5.163 1.00 0.00 N ATOM 1433 CA ALA A 109 4.790 -1.088 -5.876 1.00 0.00 C ATOM 1434 C ALA A 109 5.403 -2.299 -5.189 1.00 0.00 C ATOM 1435 O ALA A 109 6.495 -2.212 -4.631 1.00 0.00 O ATOM 1436 CB ALA A 109 5.265 -0.988 -7.323 1.00 0.00 C ATOM 0 H ALA A 109 6.070 0.497 -5.420 1.00 0.00 H new ATOM 0 HA ALA A 109 3.706 -1.202 -5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.989 -1.895 -7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.798 -0.127 -7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.348 -0.870 -7.343 1.00 0.00 H new ATOM 1442 N ILE A 110 4.697 -3.432 -5.230 1.00 0.00 N ATOM 1443 CA ILE A 110 5.173 -4.655 -4.615 1.00 0.00 C ATOM 1444 C ILE A 110 5.413 -5.710 -5.685 1.00 0.00 C ATOM 1445 O ILE A 110 4.873 -5.615 -6.785 1.00 0.00 O ATOM 1446 CB ILE A 110 4.149 -5.141 -3.593 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.313 -3.961 -3.108 1.00 0.00 C ATOM 1448 CG2 ILE A 110 4.874 -5.772 -2.408 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.744 -4.273 -1.727 1.00 0.00 C ATOM 0 H ILE A 110 3.790 -3.519 -5.688 1.00 0.00 H new ATOM 0 HA ILE A 110 6.116 -4.467 -4.102 1.00 0.00 H new ATOM 0 HB ILE A 110 3.497 -5.881 -4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.926 -3.061 -3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.503 -3.762 -3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.143 -6.119 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.471 -6.616 -2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.527 -5.032 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.147 -3.430 -1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.117 -5.163 -1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.562 -4.450 -1.028 1.00 0.00 H new ATOM 1461 N SER A 111 6.225 -6.719 -5.360 1.00 0.00 N ATOM 1462 CA SER A 111 6.529 -7.785 -6.293 1.00 0.00 C ATOM 1463 C SER A 111 6.827 -9.069 -5.532 1.00 0.00 C ATOM 1464 O SER A 111 7.676 -9.083 -4.644 1.00 0.00 O ATOM 1465 CB SER A 111 7.719 -7.379 -7.157 1.00 0.00 C ATOM 1466 OG SER A 111 7.501 -7.800 -8.485 1.00 0.00 O ATOM 0 H SER A 111 6.681 -6.812 -4.452 1.00 0.00 H new ATOM 0 HA SER A 111 5.670 -7.962 -6.940 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.854 -6.298 -7.124 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.634 -7.826 -6.768 1.00 0.00 H new ATOM 0 HG SER A 111 8.264 -7.538 -9.041 1.00 0.00 H new ATOM 1472 N PHE A 112 6.127 -10.150 -5.883 1.00 0.00 N ATOM 1473 CA PHE A 112 6.322 -11.430 -5.233 1.00 0.00 C ATOM 1474 C PHE A 112 7.175 -12.332 -6.113 1.00 0.00 C ATOM 1475 O PHE A 112 6.843 -12.565 -7.273 1.00 0.00 O ATOM 1476 CB PHE A 112 4.965 -12.070 -4.955 1.00 0.00 C ATOM 1477 CG PHE A 112 4.195 -11.395 -3.845 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.828 -10.050 -3.966 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.851 -12.114 -2.694 1.00 0.00 C ATOM 1480 CE1 PHE A 112 3.117 -9.423 -2.936 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.139 -11.487 -1.664 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.772 -10.142 -1.785 1.00 0.00 C ATOM 0 H PHE A 112 5.419 -10.155 -6.618 1.00 0.00 H new ATOM 0 HA PHE A 112 6.842 -11.286 -4.286 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.368 -12.047 -5.867 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.113 -13.119 -4.698 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.093 -9.496 -4.854 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.135 -13.152 -2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.835 -8.385 -3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.873 -12.041 -0.776 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.223 -9.659 -0.991 1.00 0.00 H new ATOM 1492 N ASN A 113 8.278 -12.840 -5.559 1.00 0.00 N ATOM 1493 CA ASN A 113 9.170 -13.713 -6.296 1.00 0.00 C ATOM 1494 C ASN A 113 9.766 -12.965 -7.480 1.00 0.00 C ATOM 1495 O ASN A 113 10.985 -12.887 -7.618 1.00 0.00 O ATOM 1496 CB ASN A 113 8.400 -14.944 -6.766 1.00 0.00 C ATOM 1497 CG ASN A 113 7.904 -15.760 -5.582 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.624 -16.615 -5.070 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.671 -15.492 -5.144 1.00 0.00 N ATOM 0 H ASN A 113 8.568 -12.656 -4.599 1.00 0.00 H new ATOM 0 HA ASN A 113 9.986 -14.035 -5.649 1.00 0.00 H new ATOM 0 HB2 ASN A 113 7.554 -14.636 -7.380 1.00 0.00 H new ATOM 0 HB3 ASN A 113 9.042 -15.561 -7.395 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.288 -16.007 -4.351 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.112 -14.773 -5.603 1.00 0.00 H new TER 1506 ASN A 113