USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 934 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 97 HIS : no HD1:sc= -0.247 K(o=-0.82,f=-3.1) USER MOD Set 1.2: A 99 SER OG : rot -100:sc= -0.571 USER MOD Set 2.1: A 50 ASN : amide:sc= -0.218 K(o=-0.99,f=-1.6) USER MOD Set 2.2: A 53 MET CE :methyl -174:sc= -0.45 (180deg=-0.249) USER MOD Set 2.3: A 86 ASN : amide:sc= -0.326 K(o=-0.99,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.236 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0794 USER MOD Single : A 5 SER OG : rot 49:sc= 0.246 USER MOD Single : A 6 SER OG : rot -61:sc= 0.322 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 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 16 THR OG1 : rot 180:sc= 0.00579 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 95:sc= 0.00727 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -159:sc= -1.21 (180deg=-2.3) USER MOD Single : A 33 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.27) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0.225 K(o=0.23,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 147:sc= 1.23 (180deg=0.865) USER MOD Single : A 57 THR OG1 : rot 105:sc= 1.3 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0.646 K(o=0.65,f=-6.2!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.00067) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -40:sc= 0.509 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 79:sc= 0.449 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -50:sc= 0.0949 USER MOD Single : A 102 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.36) USER MOD Single : A 104 SER OG : rot 76:sc= 1.24 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot -35:sc= 1.15 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 45:sc= 0.0769 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 38.465 4.763 -2.820 1.00 0.00 N ATOM 2 CA GLY A 1 37.877 4.977 -1.486 1.00 0.00 C ATOM 3 C GLY A 1 36.388 4.681 -1.537 1.00 0.00 C ATOM 4 O GLY A 1 35.882 4.390 -2.617 1.00 0.00 O ATOM 0 H1 GLY A 1 39.244 4.078 -2.750 1.00 0.00 H new ATOM 0 H2 GLY A 1 37.737 4.395 -3.465 1.00 0.00 H new ATOM 0 H3 GLY A 1 38.830 5.665 -3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 1 38.362 4.331 -0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 1 38.044 6.005 -1.164 1.00 0.00 H new ATOM 8 N SER A 2 35.707 4.777 -0.398 1.00 0.00 N ATOM 9 CA SER A 2 34.264 4.636 -0.260 1.00 0.00 C ATOM 10 C SER A 2 33.787 5.739 0.684 1.00 0.00 C ATOM 11 O SER A 2 34.613 6.357 1.364 1.00 0.00 O ATOM 12 CB SER A 2 33.943 3.244 0.304 1.00 0.00 C ATOM 13 OG SER A 2 34.257 2.248 -0.653 1.00 0.00 O ATOM 0 H SER A 2 36.169 4.964 0.492 1.00 0.00 H new ATOM 0 HA SER A 2 33.757 4.731 -1.220 1.00 0.00 H new ATOM 0 HB2 SER A 2 34.511 3.073 1.218 1.00 0.00 H new ATOM 0 HB3 SER A 2 32.887 3.185 0.569 1.00 0.00 H new ATOM 0 HG SER A 2 34.051 1.364 -0.284 1.00 0.00 H new ATOM 19 N SER A 3 32.481 5.996 0.731 1.00 0.00 N ATOM 20 CA SER A 3 31.877 6.901 1.700 1.00 0.00 C ATOM 21 C SER A 3 30.454 6.403 1.937 1.00 0.00 C ATOM 22 O SER A 3 30.245 5.605 2.848 1.00 0.00 O ATOM 23 CB SER A 3 31.956 8.368 1.233 1.00 0.00 C ATOM 24 OG SER A 3 33.274 8.718 0.855 1.00 0.00 O ATOM 0 H SER A 3 31.808 5.576 0.090 1.00 0.00 H new ATOM 0 HA SER A 3 32.420 6.896 2.645 1.00 0.00 H new ATOM 0 HB2 SER A 3 31.281 8.520 0.390 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.619 9.025 2.034 1.00 0.00 H new ATOM 0 HG SER A 3 33.293 9.653 0.562 1.00 0.00 H new ATOM 30 N GLY A 4 29.494 6.777 1.086 1.00 0.00 N ATOM 31 CA GLY A 4 28.126 6.286 1.185 1.00 0.00 C ATOM 32 C GLY A 4 27.354 6.851 2.374 1.00 0.00 C ATOM 33 O GLY A 4 26.287 6.331 2.679 1.00 0.00 O ATOM 0 H GLY A 4 29.647 7.426 0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.593 6.534 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.144 5.199 1.259 1.00 0.00 H new ATOM 37 N SER A 5 27.879 7.869 3.060 1.00 0.00 N ATOM 38 CA SER A 5 27.313 8.519 4.234 1.00 0.00 C ATOM 39 C SER A 5 26.028 9.271 3.864 1.00 0.00 C ATOM 40 O SER A 5 26.094 10.453 3.512 1.00 0.00 O ATOM 41 CB SER A 5 28.393 9.456 4.800 1.00 0.00 C ATOM 42 OG SER A 5 28.943 10.253 3.761 1.00 0.00 O ATOM 0 H SER A 5 28.770 8.285 2.788 1.00 0.00 H new ATOM 0 HA SER A 5 27.030 7.789 4.993 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.963 10.096 5.570 1.00 0.00 H new ATOM 0 HB3 SER A 5 29.180 8.871 5.275 1.00 0.00 H new ATOM 0 HG SER A 5 28.218 10.655 3.238 1.00 0.00 H new ATOM 48 N SER A 6 24.877 8.599 3.903 1.00 0.00 N ATOM 49 CA SER A 6 23.612 9.128 3.417 1.00 0.00 C ATOM 50 C SER A 6 22.451 8.650 4.298 1.00 0.00 C ATOM 51 O SER A 6 22.669 8.182 5.418 1.00 0.00 O ATOM 52 CB SER A 6 23.484 8.789 1.924 1.00 0.00 C ATOM 53 OG SER A 6 23.609 7.404 1.641 1.00 0.00 O ATOM 0 H SER A 6 24.801 7.655 4.281 1.00 0.00 H new ATOM 0 HA SER A 6 23.576 10.215 3.494 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.517 9.139 1.563 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.248 9.334 1.370 1.00 0.00 H new ATOM 0 HG SER A 6 24.495 7.092 1.920 1.00 0.00 H new ATOM 59 N GLY A 7 21.213 8.840 3.844 1.00 0.00 N ATOM 60 CA GLY A 7 20.002 8.599 4.608 1.00 0.00 C ATOM 61 C GLY A 7 19.045 9.769 4.427 1.00 0.00 C ATOM 62 O GLY A 7 19.316 10.681 3.642 1.00 0.00 O ATOM 0 H GLY A 7 21.025 9.178 2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.529 7.674 4.277 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.244 8.474 5.663 1.00 0.00 H new ATOM 66 N THR A 8 17.934 9.749 5.155 1.00 0.00 N ATOM 67 CA THR A 8 16.956 10.827 5.229 1.00 0.00 C ATOM 68 C THR A 8 16.495 10.907 6.693 1.00 0.00 C ATOM 69 O THR A 8 16.527 9.899 7.404 1.00 0.00 O ATOM 70 CB THR A 8 15.800 10.530 4.249 1.00 0.00 C ATOM 71 OG1 THR A 8 16.281 10.255 2.945 1.00 0.00 O ATOM 72 CG2 THR A 8 14.824 11.695 4.101 1.00 0.00 C ATOM 0 H THR A 8 17.680 8.948 5.733 1.00 0.00 H new ATOM 0 HA THR A 8 17.370 11.792 4.936 1.00 0.00 H new ATOM 0 HB THR A 8 15.292 9.668 4.682 1.00 0.00 H new ATOM 0 HG1 THR A 8 15.525 10.070 2.350 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.036 11.422 3.399 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.383 11.925 5.071 1.00 0.00 H new ATOM 0 HG23 THR A 8 15.356 12.570 3.727 1.00 0.00 H new ATOM 80 N VAL A 9 16.078 12.083 7.161 1.00 0.00 N ATOM 81 CA VAL A 9 15.647 12.337 8.539 1.00 0.00 C ATOM 82 C VAL A 9 14.397 13.219 8.504 1.00 0.00 C ATOM 83 O VAL A 9 14.260 14.179 9.263 1.00 0.00 O ATOM 84 CB VAL A 9 16.803 12.913 9.390 1.00 0.00 C ATOM 85 CG1 VAL A 9 17.820 11.819 9.731 1.00 0.00 C ATOM 86 CG2 VAL A 9 17.509 14.099 8.719 1.00 0.00 C ATOM 0 H VAL A 9 16.029 12.915 6.573 1.00 0.00 H new ATOM 0 HA VAL A 9 15.377 11.405 9.035 1.00 0.00 H new ATOM 0 HB VAL A 9 16.351 13.289 10.308 1.00 0.00 H new ATOM 0 HG11 VAL A 9 18.625 12.245 10.330 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.327 11.027 10.296 1.00 0.00 H new ATOM 0 HG13 VAL A 9 18.232 11.406 8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 9 18.310 14.459 9.365 1.00 0.00 H new ATOM 0 HG22 VAL A 9 17.928 13.780 7.765 1.00 0.00 H new ATOM 0 HG23 VAL A 9 16.791 14.902 8.550 1.00 0.00 H new ATOM 96 N ALA A 10 13.491 12.888 7.581 1.00 0.00 N ATOM 97 CA ALA A 10 12.235 13.585 7.370 1.00 0.00 C ATOM 98 C ALA A 10 11.401 13.583 8.651 1.00 0.00 C ATOM 99 O ALA A 10 11.581 12.715 9.515 1.00 0.00 O ATOM 100 CB ALA A 10 11.477 12.880 6.243 1.00 0.00 C ATOM 0 H ALA A 10 13.622 12.102 6.944 1.00 0.00 H new ATOM 0 HA ALA A 10 12.429 14.623 7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.529 13.389 6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.075 12.904 5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.286 11.844 6.525 1.00 0.00 H new ATOM 106 N SER A 11 10.446 14.500 8.756 1.00 0.00 N ATOM 107 CA SER A 11 9.493 14.539 9.847 1.00 0.00 C ATOM 108 C SER A 11 8.132 14.994 9.329 1.00 0.00 C ATOM 109 O SER A 11 8.015 15.603 8.261 1.00 0.00 O ATOM 110 CB SER A 11 10.020 15.474 10.942 1.00 0.00 C ATOM 111 OG SER A 11 9.370 15.197 12.165 1.00 0.00 O ATOM 0 H SER A 11 10.314 15.246 8.073 1.00 0.00 H new ATOM 0 HA SER A 11 9.370 13.544 10.274 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.096 15.345 11.055 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.851 16.513 10.658 1.00 0.00 H new ATOM 0 HG SER A 11 9.712 15.796 12.861 1.00 0.00 H new ATOM 117 N ARG A 12 7.109 14.717 10.133 1.00 0.00 N ATOM 118 CA ARG A 12 5.761 15.259 10.061 1.00 0.00 C ATOM 119 C ARG A 12 5.289 15.445 11.498 1.00 0.00 C ATOM 120 O ARG A 12 5.901 14.897 12.422 1.00 0.00 O ATOM 121 CB ARG A 12 4.809 14.299 9.338 1.00 0.00 C ATOM 122 CG ARG A 12 5.112 14.086 7.849 1.00 0.00 C ATOM 123 CD ARG A 12 3.800 13.966 7.067 1.00 0.00 C ATOM 124 NE ARG A 12 3.186 15.292 6.878 1.00 0.00 N ATOM 125 CZ ARG A 12 3.533 16.177 5.935 1.00 0.00 C ATOM 126 NH1 ARG A 12 4.378 15.848 4.962 1.00 0.00 N ATOM 127 NH2 ARG A 12 3.068 17.417 5.995 1.00 0.00 N ATOM 0 H ARG A 12 7.211 14.060 10.907 1.00 0.00 H new ATOM 0 HA ARG A 12 5.765 16.196 9.504 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.840 13.333 9.842 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.792 14.678 9.436 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.701 14.919 7.465 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.710 13.185 7.715 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.989 13.505 6.097 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.110 13.313 7.601 1.00 0.00 H new ATOM 0 HE ARG A 12 2.436 15.557 7.517 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.773 14.908 4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.631 16.535 4.252 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.449 17.693 6.757 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.329 18.095 5.279 1.00 0.00 H new ATOM 141 N LEU A 13 4.179 16.155 11.693 1.00 0.00 N ATOM 142 CA LEU A 13 3.616 16.408 13.012 1.00 0.00 C ATOM 143 C LEU A 13 2.103 16.635 12.891 1.00 0.00 C ATOM 144 O LEU A 13 1.511 16.324 11.853 1.00 0.00 O ATOM 145 CB LEU A 13 4.376 17.584 13.664 1.00 0.00 C ATOM 146 CG LEU A 13 4.894 17.272 15.078 1.00 0.00 C ATOM 147 CD1 LEU A 13 5.737 18.446 15.569 1.00 0.00 C ATOM 148 CD2 LEU A 13 3.769 17.036 16.091 1.00 0.00 C ATOM 0 H LEU A 13 3.643 16.573 10.932 1.00 0.00 H new ATOM 0 HA LEU A 13 3.741 15.548 13.670 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.219 17.858 13.029 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.717 18.451 13.710 1.00 0.00 H new ATOM 0 HG LEU A 13 5.477 16.354 15.007 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.108 18.233 16.571 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.580 18.596 14.894 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.126 19.348 15.593 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.199 16.821 17.069 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.146 17.928 16.157 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.160 16.191 15.769 1.00 0.00 H new ATOM 160 N SER A 14 1.486 17.149 13.958 1.00 0.00 N ATOM 161 CA SER A 14 0.060 17.078 14.248 1.00 0.00 C ATOM 162 C SER A 14 -0.410 15.610 14.208 1.00 0.00 C ATOM 163 O SER A 14 0.319 14.750 14.713 1.00 0.00 O ATOM 164 CB SER A 14 -0.717 18.085 13.385 1.00 0.00 C ATOM 165 OG SER A 14 -0.194 19.395 13.555 1.00 0.00 O ATOM 0 H SER A 14 2.001 17.653 14.680 1.00 0.00 H new ATOM 0 HA SER A 14 -0.158 17.399 15.266 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.656 17.796 12.336 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.772 18.070 13.659 1.00 0.00 H new ATOM 0 HG SER A 14 -0.699 20.024 12.998 1.00 0.00 H new ATOM 171 N ASP A 15 -1.620 15.332 13.704 1.00 0.00 N ATOM 172 CA ASP A 15 -2.337 14.048 13.726 1.00 0.00 C ATOM 173 C ASP A 15 -1.406 12.865 13.471 1.00 0.00 C ATOM 174 O ASP A 15 -1.045 12.603 12.330 1.00 0.00 O ATOM 175 CB ASP A 15 -3.452 14.030 12.655 1.00 0.00 C ATOM 176 CG ASP A 15 -4.859 14.322 13.154 1.00 0.00 C ATOM 177 OD1 ASP A 15 -5.021 14.963 14.212 1.00 0.00 O ATOM 178 OD2 ASP A 15 -5.811 13.896 12.456 1.00 0.00 O ATOM 0 H ASP A 15 -2.166 16.054 13.234 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.766 13.949 14.723 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.202 14.760 11.886 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.453 13.051 12.176 1.00 0.00 H new ATOM 183 N THR A 16 -1.033 12.114 14.501 1.00 0.00 N ATOM 184 CA THR A 16 -0.126 10.975 14.408 1.00 0.00 C ATOM 185 C THR A 16 -0.651 9.891 13.458 1.00 0.00 C ATOM 186 O THR A 16 0.149 9.239 12.782 1.00 0.00 O ATOM 187 CB THR A 16 0.126 10.447 15.833 1.00 0.00 C ATOM 188 OG1 THR A 16 0.488 11.530 16.674 1.00 0.00 O ATOM 189 CG2 THR A 16 1.232 9.394 15.908 1.00 0.00 C ATOM 0 H THR A 16 -1.362 12.285 15.451 1.00 0.00 H new ATOM 0 HA THR A 16 0.821 11.293 13.971 1.00 0.00 H new ATOM 0 HB THR A 16 -0.801 9.972 16.155 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.648 11.199 17.583 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.354 9.068 16.941 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.963 8.539 15.287 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.168 9.823 15.550 1.00 0.00 H new ATOM 197 N LYS A 17 -1.974 9.692 13.369 1.00 0.00 N ATOM 198 CA LYS A 17 -2.527 8.772 12.377 1.00 0.00 C ATOM 199 C LYS A 17 -2.404 9.341 10.968 1.00 0.00 C ATOM 200 O LYS A 17 -1.829 8.674 10.106 1.00 0.00 O ATOM 201 CB LYS A 17 -4.006 8.496 12.658 1.00 0.00 C ATOM 202 CG LYS A 17 -4.241 7.509 13.805 1.00 0.00 C ATOM 203 CD LYS A 17 -5.595 6.814 13.642 1.00 0.00 C ATOM 204 CE LYS A 17 -6.762 7.806 13.576 1.00 0.00 C ATOM 205 NZ LYS A 17 -7.976 7.166 13.043 1.00 0.00 N ATOM 0 H LYS A 17 -2.667 10.149 13.962 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.956 7.846 12.447 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.504 9.437 12.892 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.472 8.106 11.753 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.444 6.766 13.823 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.208 8.035 14.759 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.583 6.212 12.734 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.751 6.130 14.476 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.963 8.201 14.572 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.488 8.653 12.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.749 7.861 13.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.789 6.811 12.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.249 6.373 13.658 1.00 0.00 H new ATOM 219 N ALA A 18 -2.875 10.572 10.740 1.00 0.00 N ATOM 220 CA ALA A 18 -2.895 11.152 9.403 1.00 0.00 C ATOM 221 C ALA A 18 -1.466 11.353 8.902 1.00 0.00 C ATOM 222 O ALA A 18 -1.164 11.033 7.763 1.00 0.00 O ATOM 223 CB ALA A 18 -3.673 12.471 9.387 1.00 0.00 C ATOM 0 H ALA A 18 -3.247 11.182 11.468 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.407 10.462 8.732 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.672 12.882 8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.700 12.291 9.705 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.201 13.180 10.068 1.00 0.00 H new ATOM 229 N ALA A 19 -0.558 11.829 9.752 1.00 0.00 N ATOM 230 CA ALA A 19 0.861 11.968 9.470 1.00 0.00 C ATOM 231 C ALA A 19 1.565 10.621 9.279 1.00 0.00 C ATOM 232 O ALA A 19 2.731 10.624 8.894 1.00 0.00 O ATOM 233 CB ALA A 19 1.538 12.737 10.610 1.00 0.00 C ATOM 0 H ALA A 19 -0.805 12.139 10.692 1.00 0.00 H new ATOM 0 HA ALA A 19 0.948 12.515 8.531 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.602 12.841 10.397 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.088 13.726 10.700 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.406 12.192 11.545 1.00 0.00 H new ATOM 239 N GLY A 20 0.927 9.484 9.567 1.00 0.00 N ATOM 240 CA GLY A 20 1.437 8.158 9.245 1.00 0.00 C ATOM 241 C GLY A 20 0.902 7.679 7.901 1.00 0.00 C ATOM 242 O GLY A 20 1.660 7.153 7.091 1.00 0.00 O ATOM 0 H GLY A 20 0.024 9.464 10.040 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.526 8.180 9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.150 7.454 10.026 1.00 0.00 H new ATOM 246 N GLU A 21 -0.390 7.903 7.651 1.00 0.00 N ATOM 247 CA GLU A 21 -1.065 7.658 6.378 1.00 0.00 C ATOM 248 C GLU A 21 -0.340 8.435 5.278 1.00 0.00 C ATOM 249 O GLU A 21 0.209 7.840 4.355 1.00 0.00 O ATOM 250 CB GLU A 21 -2.551 8.054 6.501 1.00 0.00 C ATOM 251 CG GLU A 21 -3.316 7.079 7.409 1.00 0.00 C ATOM 252 CD GLU A 21 -4.566 7.685 8.066 1.00 0.00 C ATOM 253 OE1 GLU A 21 -5.443 8.229 7.356 1.00 0.00 O ATOM 254 OE2 GLU A 21 -4.684 7.570 9.312 1.00 0.00 O ATOM 0 H GLU A 21 -1.020 8.276 8.362 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.034 6.601 6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.628 9.064 6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.009 8.068 5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.612 6.209 6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.644 6.723 8.190 1.00 0.00 H new ATOM 261 N VAL A 22 -0.237 9.755 5.448 1.00 0.00 N ATOM 262 CA VAL A 22 0.510 10.666 4.592 1.00 0.00 C ATOM 263 C VAL A 22 1.918 10.146 4.367 1.00 0.00 C ATOM 264 O VAL A 22 2.345 10.089 3.222 1.00 0.00 O ATOM 265 CB VAL A 22 0.533 12.073 5.223 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.500 13.039 4.534 1.00 0.00 C ATOM 267 CG2 VAL A 22 -0.852 12.709 5.147 1.00 0.00 C ATOM 0 H VAL A 22 -0.695 10.235 6.223 1.00 0.00 H new ATOM 0 HA VAL A 22 0.019 10.730 3.621 1.00 0.00 H new ATOM 0 HB VAL A 22 0.862 11.920 6.251 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.462 14.008 5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.513 12.641 4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.214 13.157 3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.822 13.702 5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.158 12.792 4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.567 12.089 5.687 1.00 0.00 H new ATOM 277 N LYS A 23 2.658 9.783 5.422 1.00 0.00 N ATOM 278 CA LYS A 23 4.048 9.373 5.255 1.00 0.00 C ATOM 279 C LYS A 23 4.119 8.189 4.306 1.00 0.00 C ATOM 280 O LYS A 23 4.892 8.216 3.359 1.00 0.00 O ATOM 281 CB LYS A 23 4.695 9.080 6.616 1.00 0.00 C ATOM 282 CG LYS A 23 6.229 9.100 6.539 1.00 0.00 C ATOM 283 CD LYS A 23 6.893 7.757 6.210 1.00 0.00 C ATOM 284 CE LYS A 23 6.941 6.885 7.466 1.00 0.00 C ATOM 285 NZ LYS A 23 7.504 5.551 7.187 1.00 0.00 N ATOM 0 H LYS A 23 2.320 9.766 6.384 1.00 0.00 H new ATOM 0 HA LYS A 23 4.620 10.187 4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.359 9.818 7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.362 8.105 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.528 9.827 5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.618 9.453 7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.336 7.248 5.423 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.902 7.922 5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.541 7.380 8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.935 6.777 7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.520 4.991 8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.917 5.068 6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.473 5.652 6.824 1.00 0.00 H new ATOM 299 N ALA A 24 3.316 7.162 4.557 1.00 0.00 N ATOM 300 CA ALA A 24 3.236 5.978 3.732 1.00 0.00 C ATOM 301 C ALA A 24 2.784 6.286 2.297 1.00 0.00 C ATOM 302 O ALA A 24 3.281 5.625 1.393 1.00 0.00 O ATOM 303 CB ALA A 24 2.320 4.977 4.437 1.00 0.00 C ATOM 0 H ALA A 24 2.690 7.136 5.362 1.00 0.00 H new ATOM 0 HA ALA A 24 4.230 5.545 3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.240 4.071 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.735 4.729 5.414 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.331 5.416 4.564 1.00 0.00 H new ATOM 309 N LEU A 25 1.898 7.263 2.056 1.00 0.00 N ATOM 310 CA LEU A 25 1.539 7.690 0.696 1.00 0.00 C ATOM 311 C LEU A 25 2.735 8.354 0.011 1.00 0.00 C ATOM 312 O LEU A 25 3.062 8.051 -1.132 1.00 0.00 O ATOM 313 CB LEU A 25 0.396 8.714 0.742 1.00 0.00 C ATOM 314 CG LEU A 25 -0.097 9.122 -0.660 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.355 8.385 -1.116 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.391 10.612 -0.602 1.00 0.00 C ATOM 0 H LEU A 25 1.413 7.776 2.792 1.00 0.00 H new ATOM 0 HA LEU A 25 1.231 6.804 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.437 8.297 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.732 9.602 1.277 1.00 0.00 H new ATOM 0 HG LEU A 25 0.678 8.863 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.637 8.728 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.159 7.313 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.168 8.587 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.745 10.951 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.157 10.803 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.518 11.152 -0.338 1.00 0.00 H new ATOM 328 N ASP A 26 3.357 9.305 0.700 1.00 0.00 N ATOM 329 CA ASP A 26 4.448 10.139 0.203 1.00 0.00 C ATOM 330 C ASP A 26 5.612 9.251 -0.197 1.00 0.00 C ATOM 331 O ASP A 26 6.165 9.343 -1.292 1.00 0.00 O ATOM 332 CB ASP A 26 4.891 11.069 1.338 1.00 0.00 C ATOM 333 CG ASP A 26 5.472 12.380 0.854 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.708 12.475 0.723 1.00 0.00 O ATOM 335 OD2 ASP A 26 4.708 13.378 0.821 1.00 0.00 O ATOM 0 H ASP A 26 3.104 9.526 1.663 1.00 0.00 H new ATOM 0 HA ASP A 26 4.122 10.719 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.036 11.276 1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.633 10.555 1.949 1.00 0.00 H new ATOM 340 N ASP A 27 5.952 8.352 0.726 1.00 0.00 N ATOM 341 CA ASP A 27 7.108 7.500 0.617 1.00 0.00 C ATOM 342 C ASP A 27 6.904 6.474 -0.491 1.00 0.00 C ATOM 343 O ASP A 27 7.864 6.136 -1.182 1.00 0.00 O ATOM 344 CB ASP A 27 7.373 6.785 1.954 1.00 0.00 C ATOM 345 CG ASP A 27 8.802 6.265 2.053 1.00 0.00 C ATOM 346 OD1 ASP A 27 9.730 6.979 1.605 1.00 0.00 O ATOM 347 OD2 ASP A 27 9.004 5.167 2.621 1.00 0.00 O ATOM 0 H ASP A 27 5.415 8.202 1.580 1.00 0.00 H new ATOM 0 HA ASP A 27 7.972 8.117 0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.180 7.473 2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.677 5.954 2.064 1.00 0.00 H new ATOM 352 N PHE A 28 5.652 6.020 -0.658 1.00 0.00 N ATOM 353 CA PHE A 28 5.166 5.162 -1.728 1.00 0.00 C ATOM 354 C PHE A 28 5.328 5.870 -3.065 1.00 0.00 C ATOM 355 O PHE A 28 6.005 5.354 -3.951 1.00 0.00 O ATOM 356 CB PHE A 28 3.703 4.766 -1.472 1.00 0.00 C ATOM 357 CG PHE A 28 3.047 4.048 -2.625 1.00 0.00 C ATOM 358 CD1 PHE A 28 2.448 4.778 -3.669 1.00 0.00 C ATOM 359 CD2 PHE A 28 3.064 2.646 -2.665 1.00 0.00 C ATOM 360 CE1 PHE A 28 1.896 4.108 -4.770 1.00 0.00 C ATOM 361 CE2 PHE A 28 2.530 1.983 -3.779 1.00 0.00 C ATOM 362 CZ PHE A 28 1.960 2.709 -4.837 1.00 0.00 C ATOM 0 H PHE A 28 4.911 6.264 -0.001 1.00 0.00 H new ATOM 0 HA PHE A 28 5.754 4.245 -1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.660 4.128 -0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.129 5.664 -1.244 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.414 5.856 -3.622 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.485 2.082 -1.845 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.423 4.668 -5.564 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.557 0.904 -3.824 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.571 2.191 -5.701 1.00 0.00 H new ATOM 372 N TYR A 29 4.713 7.045 -3.217 1.00 0.00 N ATOM 373 CA TYR A 29 4.730 7.802 -4.459 1.00 0.00 C ATOM 374 C TYR A 29 6.142 8.060 -4.956 1.00 0.00 C ATOM 375 O TYR A 29 6.397 7.977 -6.154 1.00 0.00 O ATOM 376 CB TYR A 29 4.054 9.154 -4.244 1.00 0.00 C ATOM 377 CG TYR A 29 2.580 9.178 -4.532 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.085 8.515 -5.668 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.735 9.978 -3.746 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.751 8.667 -6.041 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.398 10.172 -4.144 1.00 0.00 C ATOM 382 CZ TYR A 29 -0.098 9.519 -5.297 1.00 0.00 C ATOM 383 OH TYR A 29 -1.377 9.743 -5.690 1.00 0.00 O ATOM 0 H TYR A 29 4.185 7.497 -2.470 1.00 0.00 H new ATOM 0 HA TYR A 29 4.201 7.206 -5.203 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.212 9.463 -3.211 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.545 9.894 -4.876 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.740 7.886 -6.253 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.107 10.441 -2.844 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.366 8.134 -6.898 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.248 10.819 -3.569 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.976 9.125 -5.221 1.00 0.00 H new ATOM 393 N LYS A 30 7.061 8.358 -4.043 1.00 0.00 N ATOM 394 CA LYS A 30 8.474 8.495 -4.371 1.00 0.00 C ATOM 395 C LYS A 30 8.973 7.297 -5.177 1.00 0.00 C ATOM 396 O LYS A 30 9.618 7.467 -6.207 1.00 0.00 O ATOM 397 CB LYS A 30 9.280 8.672 -3.078 1.00 0.00 C ATOM 398 CG LYS A 30 10.309 9.783 -3.266 1.00 0.00 C ATOM 399 CD LYS A 30 11.169 10.014 -2.021 1.00 0.00 C ATOM 400 CE LYS A 30 10.319 10.626 -0.904 1.00 0.00 C ATOM 401 NZ LYS A 30 11.079 10.786 0.347 1.00 0.00 N ATOM 0 H LYS A 30 6.847 8.511 -3.057 1.00 0.00 H new ATOM 0 HA LYS A 30 8.610 9.377 -4.996 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.612 8.916 -2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.780 7.739 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.956 9.534 -4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.794 10.709 -3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.600 9.070 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.001 10.677 -2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.943 11.597 -1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.451 9.993 -0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.465 11.203 1.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.416 9.857 0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.893 11.411 0.181 1.00 0.00 H new ATOM 415 N MET A 31 8.679 6.080 -4.727 1.00 0.00 N ATOM 416 CA MET A 31 9.061 4.863 -5.437 1.00 0.00 C ATOM 417 C MET A 31 8.219 4.711 -6.701 1.00 0.00 C ATOM 418 O MET A 31 8.765 4.303 -7.714 1.00 0.00 O ATOM 419 CB MET A 31 8.955 3.602 -4.566 1.00 0.00 C ATOM 420 CG MET A 31 9.140 3.914 -3.083 1.00 0.00 C ATOM 421 SD MET A 31 8.980 2.565 -1.903 1.00 0.00 S ATOM 422 CE MET A 31 10.458 1.636 -2.315 1.00 0.00 C ATOM 0 H MET A 31 8.169 5.910 -3.860 1.00 0.00 H new ATOM 0 HA MET A 31 10.112 4.966 -5.705 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.982 3.136 -4.720 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.708 2.879 -4.881 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.130 4.352 -2.956 1.00 0.00 H new ATOM 0 HG3 MET A 31 8.415 4.681 -2.811 1.00 0.00 H new ATOM 0 HE1 MET A 31 10.348 0.607 -1.972 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.604 1.645 -3.395 1.00 0.00 H new ATOM 0 HE3 MET A 31 11.321 2.091 -1.829 1.00 0.00 H new ATOM 432 N LEU A 32 6.937 5.096 -6.688 1.00 0.00 N ATOM 433 CA LEU A 32 6.085 5.109 -7.878 1.00 0.00 C ATOM 434 C LEU A 32 6.705 5.954 -9.006 1.00 0.00 C ATOM 435 O LEU A 32 6.437 5.716 -10.183 1.00 0.00 O ATOM 436 CB LEU A 32 4.671 5.607 -7.517 1.00 0.00 C ATOM 437 CG LEU A 32 3.601 5.152 -8.522 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.196 3.704 -8.266 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.340 6.006 -8.379 1.00 0.00 C ATOM 0 H LEU A 32 6.460 5.410 -5.843 1.00 0.00 H new ATOM 0 HA LEU A 32 6.005 4.088 -8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.406 5.245 -6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.676 6.696 -7.468 1.00 0.00 H new ATOM 0 HG LEU A 32 4.030 5.255 -9.519 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.438 3.405 -8.990 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.069 3.059 -8.367 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.792 3.612 -7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.591 5.672 -9.097 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.944 5.904 -7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.585 7.051 -8.569 1.00 0.00 H new ATOM 451 N GLN A 33 7.527 6.945 -8.650 1.00 0.00 N ATOM 452 CA GLN A 33 8.252 7.815 -9.561 1.00 0.00 C ATOM 453 C GLN A 33 9.664 7.305 -9.875 1.00 0.00 C ATOM 454 O GLN A 33 10.131 7.499 -11.002 1.00 0.00 O ATOM 455 CB GLN A 33 8.319 9.215 -8.930 1.00 0.00 C ATOM 456 CG GLN A 33 6.952 9.919 -8.913 1.00 0.00 C ATOM 457 CD GLN A 33 6.436 10.142 -10.332 1.00 0.00 C ATOM 458 OE1 GLN A 33 7.170 10.636 -11.188 1.00 0.00 O ATOM 459 NE2 GLN A 33 5.210 9.760 -10.639 1.00 0.00 N ATOM 0 H GLN A 33 7.709 7.167 -7.671 1.00 0.00 H new ATOM 0 HA GLN A 33 7.720 7.838 -10.512 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.694 9.133 -7.910 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.032 9.826 -9.484 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.236 9.318 -8.352 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.038 10.876 -8.398 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.609 9.352 -9.923 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.864 9.873 -11.592 1.00 0.00 H new ATOM 468 N HIS A 34 10.357 6.706 -8.905 1.00 0.00 N ATOM 469 CA HIS A 34 11.723 6.213 -9.054 1.00 0.00 C ATOM 470 C HIS A 34 11.761 4.799 -9.623 1.00 0.00 C ATOM 471 O HIS A 34 12.328 4.589 -10.694 1.00 0.00 O ATOM 472 CB HIS A 34 12.455 6.246 -7.705 1.00 0.00 C ATOM 473 CG HIS A 34 13.109 7.569 -7.420 1.00 0.00 C ATOM 474 ND1 HIS A 34 14.221 8.047 -8.072 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.745 8.484 -6.469 1.00 0.00 C ATOM 476 CE1 HIS A 34 14.537 9.226 -7.518 1.00 0.00 C ATOM 477 NE2 HIS A 34 13.673 9.534 -6.534 1.00 0.00 N ATOM 0 H HIS A 34 9.973 6.548 -7.973 1.00 0.00 H new ATOM 0 HA HIS A 34 12.227 6.873 -9.760 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.746 6.019 -6.908 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.213 5.463 -7.690 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.903 8.411 -5.796 1.00 0.00 H new ATOM 0 HE1 HIS A 34 15.370 9.843 -7.820 1.00 0.00 H new ATOM 0 HE2 HIS A 34 13.689 10.369 -5.949 1.00 0.00 H new ATOM 485 N GLU A 35 11.224 3.829 -8.888 1.00 0.00 N ATOM 486 CA GLU A 35 11.338 2.404 -9.150 1.00 0.00 C ATOM 487 C GLU A 35 9.992 1.758 -8.787 1.00 0.00 C ATOM 488 O GLU A 35 9.836 1.241 -7.675 1.00 0.00 O ATOM 489 CB GLU A 35 12.576 1.825 -8.425 1.00 0.00 C ATOM 490 CG GLU A 35 12.687 2.113 -6.911 1.00 0.00 C ATOM 491 CD GLU A 35 14.103 1.933 -6.355 1.00 0.00 C ATOM 492 OE1 GLU A 35 15.121 2.326 -6.975 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.205 1.447 -5.202 1.00 0.00 O ATOM 0 H GLU A 35 10.672 4.029 -8.054 1.00 0.00 H new ATOM 0 HA GLU A 35 11.521 2.183 -10.202 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.580 0.744 -8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.470 2.214 -8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.357 3.134 -6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.008 1.452 -6.373 1.00 0.00 H new ATOM 500 N PRO A 36 8.982 1.825 -9.680 1.00 0.00 N ATOM 501 CA PRO A 36 7.617 1.410 -9.363 1.00 0.00 C ATOM 502 C PRO A 36 7.504 -0.096 -9.115 1.00 0.00 C ATOM 503 O PRO A 36 6.532 -0.534 -8.506 1.00 0.00 O ATOM 504 CB PRO A 36 6.750 1.871 -10.537 1.00 0.00 C ATOM 505 CG PRO A 36 7.736 1.912 -11.700 1.00 0.00 C ATOM 506 CD PRO A 36 9.038 2.357 -11.035 1.00 0.00 C ATOM 0 HA PRO A 36 7.283 1.863 -8.429 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.930 1.179 -10.728 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.306 2.849 -10.351 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.839 0.937 -12.176 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.419 2.612 -12.473 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.905 1.973 -11.572 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.124 3.444 -11.027 1.00 0.00 H new ATOM 514 N ASP A 37 8.530 -0.879 -9.462 1.00 0.00 N ATOM 515 CA ASP A 37 8.666 -2.277 -9.063 1.00 0.00 C ATOM 516 C ASP A 37 8.609 -2.445 -7.540 1.00 0.00 C ATOM 517 O ASP A 37 8.338 -3.549 -7.066 1.00 0.00 O ATOM 518 CB ASP A 37 9.994 -2.854 -9.574 1.00 0.00 C ATOM 519 CG ASP A 37 9.984 -3.125 -11.072 1.00 0.00 C ATOM 520 OD1 ASP A 37 10.164 -2.173 -11.858 1.00 0.00 O ATOM 521 OD2 ASP A 37 9.772 -4.299 -11.457 1.00 0.00 O ATOM 0 H ASP A 37 9.303 -0.549 -10.040 1.00 0.00 H new ATOM 0 HA ASP A 37 7.828 -2.816 -9.505 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.800 -2.159 -9.341 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.210 -3.781 -9.043 1.00 0.00 H new ATOM 526 N ARG A 38 8.860 -1.379 -6.759 1.00 0.00 N ATOM 527 CA ARG A 38 8.729 -1.374 -5.300 1.00 0.00 C ATOM 528 C ARG A 38 7.464 -0.670 -4.802 1.00 0.00 C ATOM 529 O ARG A 38 7.282 -0.586 -3.586 1.00 0.00 O ATOM 530 CB ARG A 38 9.964 -0.751 -4.631 1.00 0.00 C ATOM 531 CG ARG A 38 11.242 -1.566 -4.868 1.00 0.00 C ATOM 532 CD ARG A 38 12.167 -1.601 -3.643 1.00 0.00 C ATOM 533 NE ARG A 38 12.939 -0.365 -3.432 1.00 0.00 N ATOM 534 CZ ARG A 38 13.727 -0.092 -2.378 1.00 0.00 C ATOM 535 NH1 ARG A 38 13.706 -0.825 -1.267 1.00 0.00 N ATOM 536 NH2 ARG A 38 14.571 0.925 -2.477 1.00 0.00 N ATOM 0 H ARG A 38 9.165 -0.482 -7.137 1.00 0.00 H new ATOM 0 HA ARG A 38 8.648 -2.423 -5.014 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.107 0.260 -5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.787 -0.665 -3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.971 -2.586 -5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.784 -1.143 -5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.567 -1.797 -2.754 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.861 -2.435 -3.750 1.00 0.00 H new ATOM 0 HE ARG A 38 12.869 0.352 -4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.077 -1.625 -1.195 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.319 -0.587 -0.487 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.609 1.475 -3.335 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.183 1.158 -1.695 1.00 0.00 H new ATOM 550 N ALA A 39 6.591 -0.168 -5.676 1.00 0.00 N ATOM 551 CA ALA A 39 5.375 0.530 -5.286 1.00 0.00 C ATOM 552 C ALA A 39 4.184 -0.027 -6.062 1.00 0.00 C ATOM 553 O ALA A 39 3.839 0.450 -7.141 1.00 0.00 O ATOM 554 CB ALA A 39 5.542 2.049 -5.443 1.00 0.00 C ATOM 0 H ALA A 39 6.714 -0.238 -6.686 1.00 0.00 H new ATOM 0 HA ALA A 39 5.177 0.356 -4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.620 2.549 -5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.361 2.392 -4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.763 2.285 -6.484 1.00 0.00 H new ATOM 560 N PHE A 40 3.534 -1.038 -5.487 1.00 0.00 N ATOM 561 CA PHE A 40 2.467 -1.791 -6.129 1.00 0.00 C ATOM 562 C PHE A 40 1.129 -1.173 -5.751 1.00 0.00 C ATOM 563 O PHE A 40 0.928 -0.839 -4.576 1.00 0.00 O ATOM 564 CB PHE A 40 2.482 -3.211 -5.572 1.00 0.00 C ATOM 565 CG PHE A 40 3.222 -4.204 -6.409 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.346 -3.829 -7.157 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.756 -5.523 -6.419 1.00 0.00 C ATOM 568 CE1 PHE A 40 4.974 -4.788 -7.955 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.417 -6.502 -7.176 1.00 0.00 C ATOM 570 CZ PHE A 40 4.521 -6.122 -7.955 1.00 0.00 C ATOM 0 H PHE A 40 3.742 -1.360 -4.542 1.00 0.00 H new ATOM 0 HA PHE A 40 2.607 -1.784 -7.210 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.927 -3.192 -4.577 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.453 -3.551 -5.454 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.720 -2.817 -7.117 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.883 -5.789 -5.841 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.812 -4.505 -8.576 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.083 -7.529 -7.160 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.028 -6.859 -8.560 1.00 0.00 H new ATOM 580 N TYR A 41 0.186 -1.087 -6.688 1.00 0.00 N ATOM 581 CA TYR A 41 -1.148 -0.573 -6.410 1.00 0.00 C ATOM 582 C TYR A 41 -2.235 -1.366 -7.125 1.00 0.00 C ATOM 583 O TYR A 41 -1.981 -2.031 -8.125 1.00 0.00 O ATOM 584 CB TYR A 41 -1.221 0.908 -6.770 1.00 0.00 C ATOM 585 CG TYR A 41 -1.289 1.175 -8.259 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.162 0.986 -9.079 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.515 1.546 -8.832 1.00 0.00 C ATOM 588 CE1 TYR A 41 -0.271 1.144 -10.470 1.00 0.00 C ATOM 589 CE2 TYR A 41 -2.619 1.762 -10.213 1.00 0.00 C ATOM 590 CZ TYR A 41 -1.500 1.545 -11.049 1.00 0.00 C ATOM 591 OH TYR A 41 -1.586 1.785 -12.386 1.00 0.00 O ATOM 0 H TYR A 41 0.328 -1.371 -7.657 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.332 -0.689 -5.342 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.098 1.345 -6.292 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.348 1.415 -6.359 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.787 0.719 -8.639 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.385 1.666 -8.204 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.586 0.959 -11.101 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.554 2.094 -10.638 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.502 2.049 -12.613 1.00 0.00 H new ATOM 601 N GLY A 42 -3.466 -1.250 -6.632 1.00 0.00 N ATOM 602 CA GLY A 42 -4.588 -2.025 -7.126 1.00 0.00 C ATOM 603 C GLY A 42 -4.521 -3.459 -6.603 1.00 0.00 C ATOM 604 O GLY A 42 -3.444 -4.044 -6.457 1.00 0.00 O ATOM 0 H GLY A 42 -3.708 -0.611 -5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.523 -1.561 -6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.583 -2.029 -8.216 1.00 0.00 H new ATOM 608 N LEU A 43 -5.695 -4.025 -6.306 1.00 0.00 N ATOM 609 CA LEU A 43 -5.867 -5.301 -5.616 1.00 0.00 C ATOM 610 C LEU A 43 -4.968 -6.391 -6.182 1.00 0.00 C ATOM 611 O LEU A 43 -4.301 -7.076 -5.420 1.00 0.00 O ATOM 612 CB LEU A 43 -7.342 -5.732 -5.697 1.00 0.00 C ATOM 613 CG LEU A 43 -7.661 -7.092 -5.030 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.544 -7.057 -3.504 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.086 -7.527 -5.388 1.00 0.00 C ATOM 0 H LEU A 43 -6.584 -3.588 -6.550 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.577 -5.159 -4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.957 -4.962 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.634 -5.781 -6.746 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.922 -7.797 -5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.780 -8.041 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.527 -6.783 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.241 -6.322 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.304 -8.485 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.795 -6.778 -5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.175 -7.628 -6.470 1.00 0.00 H new ATOM 627 N LYS A 44 -4.959 -6.580 -7.503 1.00 0.00 N ATOM 628 CA LYS A 44 -4.235 -7.639 -8.152 1.00 0.00 C ATOM 629 C LYS A 44 -2.743 -7.496 -7.862 1.00 0.00 C ATOM 630 O LYS A 44 -2.088 -8.505 -7.601 1.00 0.00 O ATOM 631 CB LYS A 44 -4.592 -7.544 -9.636 1.00 0.00 C ATOM 632 CG LYS A 44 -3.644 -8.351 -10.485 1.00 0.00 C ATOM 633 CD LYS A 44 -3.806 -9.877 -10.419 1.00 0.00 C ATOM 634 CE LYS A 44 -3.173 -10.607 -9.227 1.00 0.00 C ATOM 635 NZ LYS A 44 -3.144 -12.068 -9.439 1.00 0.00 N ATOM 0 H LYS A 44 -5.470 -5.981 -8.152 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.502 -8.631 -7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.611 -7.899 -9.789 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.566 -6.501 -9.951 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.763 -8.038 -11.522 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.624 -8.102 -10.191 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.872 -10.102 -10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.387 -10.299 -11.333 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.158 -10.241 -9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.735 -10.381 -8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.710 -12.530 -8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.115 -12.420 -9.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.587 -12.284 -10.290 1.00 0.00 H new ATOM 649 N GLN A 45 -2.181 -6.293 -7.990 1.00 0.00 N ATOM 650 CA GLN A 45 -0.756 -6.139 -7.766 1.00 0.00 C ATOM 651 C GLN A 45 -0.483 -6.512 -6.310 1.00 0.00 C ATOM 652 O GLN A 45 0.293 -7.419 -6.041 1.00 0.00 O ATOM 653 CB GLN A 45 -0.249 -4.730 -8.095 1.00 0.00 C ATOM 654 CG GLN A 45 -0.479 -4.328 -9.558 1.00 0.00 C ATOM 655 CD GLN A 45 0.195 -3.003 -9.929 1.00 0.00 C ATOM 656 OE1 GLN A 45 1.061 -2.478 -9.226 1.00 0.00 O ATOM 657 NE2 GLN A 45 -0.155 -2.456 -11.077 1.00 0.00 N ATOM 0 H GLN A 45 -2.679 -5.439 -8.240 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.209 -6.797 -8.442 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.748 -4.011 -7.445 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.817 -4.674 -7.873 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.101 -5.116 -10.209 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.550 -4.248 -9.743 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.872 -2.896 -11.654 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.292 -1.593 -11.388 1.00 0.00 H new ATOM 666 N VAL A 46 -1.147 -5.853 -5.368 1.00 0.00 N ATOM 667 CA VAL A 46 -1.003 -6.076 -3.936 1.00 0.00 C ATOM 668 C VAL A 46 -1.132 -7.566 -3.569 1.00 0.00 C ATOM 669 O VAL A 46 -0.320 -8.060 -2.792 1.00 0.00 O ATOM 670 CB VAL A 46 -2.005 -5.203 -3.156 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.638 -5.217 -1.671 1.00 0.00 C ATOM 672 CG2 VAL A 46 -2.096 -3.740 -3.635 1.00 0.00 C ATOM 0 H VAL A 46 -1.824 -5.123 -5.589 1.00 0.00 H new ATOM 0 HA VAL A 46 0.004 -5.776 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.986 -5.643 -3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.345 -4.600 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.676 -6.240 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.631 -4.821 -1.541 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.825 -3.203 -3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.121 -3.263 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.407 -3.718 -4.680 1.00 0.00 H new ATOM 682 N GLU A 47 -2.094 -8.305 -4.135 1.00 0.00 N ATOM 683 CA GLU A 47 -2.247 -9.745 -3.914 1.00 0.00 C ATOM 684 C GLU A 47 -0.939 -10.484 -4.234 1.00 0.00 C ATOM 685 O GLU A 47 -0.544 -11.384 -3.496 1.00 0.00 O ATOM 686 CB GLU A 47 -3.399 -10.307 -4.776 1.00 0.00 C ATOM 687 CG GLU A 47 -4.807 -10.066 -4.202 1.00 0.00 C ATOM 688 CD GLU A 47 -5.908 -10.599 -5.139 1.00 0.00 C ATOM 689 OE1 GLU A 47 -5.870 -10.307 -6.360 1.00 0.00 O ATOM 690 OE2 GLU A 47 -6.839 -11.307 -4.675 1.00 0.00 O ATOM 0 H GLU A 47 -2.794 -7.914 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.488 -9.903 -2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.344 -9.859 -5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.251 -11.380 -4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.891 -10.552 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.955 -8.998 -4.039 1.00 0.00 H new ATOM 697 N LYS A 48 -0.250 -10.096 -5.309 1.00 0.00 N ATOM 698 CA LYS A 48 1.006 -10.683 -5.769 1.00 0.00 C ATOM 699 C LYS A 48 2.151 -10.224 -4.872 1.00 0.00 C ATOM 700 O LYS A 48 2.979 -11.027 -4.459 1.00 0.00 O ATOM 701 CB LYS A 48 1.203 -10.264 -7.237 1.00 0.00 C ATOM 702 CG LYS A 48 2.611 -10.445 -7.805 1.00 0.00 C ATOM 703 CD LYS A 48 2.929 -11.901 -8.132 1.00 0.00 C ATOM 704 CE LYS A 48 3.682 -12.641 -7.020 1.00 0.00 C ATOM 705 NZ LYS A 48 3.672 -14.105 -7.213 1.00 0.00 N ATOM 0 H LYS A 48 -0.567 -9.332 -5.906 1.00 0.00 H new ATOM 0 HA LYS A 48 0.985 -11.771 -5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.509 -10.835 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.926 -9.214 -7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.715 -9.843 -8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.340 -10.070 -7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.997 -12.428 -8.338 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.524 -11.936 -9.045 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.713 -12.289 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.231 -12.401 -6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.560 -14.509 -6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.869 -14.518 -6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.580 -14.321 -8.226 1.00 0.00 H new ATOM 719 N ALA A 49 2.236 -8.936 -4.565 1.00 0.00 N ATOM 720 CA ALA A 49 3.228 -8.421 -3.626 1.00 0.00 C ATOM 721 C ALA A 49 3.163 -9.136 -2.278 1.00 0.00 C ATOM 722 O ALA A 49 4.195 -9.375 -1.645 1.00 0.00 O ATOM 723 CB ALA A 49 2.999 -6.936 -3.402 1.00 0.00 C ATOM 0 H ALA A 49 1.623 -8.221 -4.957 1.00 0.00 H new ATOM 0 HA ALA A 49 4.211 -8.597 -4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.741 -6.555 -2.701 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.091 -6.407 -4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.000 -6.779 -2.994 1.00 0.00 H new ATOM 729 N ASN A 50 1.953 -9.463 -1.831 1.00 0.00 N ATOM 730 CA ASN A 50 1.763 -10.192 -0.598 1.00 0.00 C ATOM 731 C ASN A 50 2.317 -11.614 -0.728 1.00 0.00 C ATOM 732 O ASN A 50 3.075 -12.022 0.141 1.00 0.00 O ATOM 733 CB ASN A 50 0.295 -10.168 -0.189 1.00 0.00 C ATOM 734 CG ASN A 50 0.169 -10.833 1.168 1.00 0.00 C ATOM 735 OD1 ASN A 50 0.752 -10.353 2.129 1.00 0.00 O ATOM 736 ND2 ASN A 50 -0.526 -11.949 1.264 1.00 0.00 N ATOM 0 H ASN A 50 1.087 -9.228 -2.316 1.00 0.00 H new ATOM 0 HA ASN A 50 2.323 -9.705 0.200 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.070 -9.142 -0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.313 -10.691 -0.927 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.588 -12.436 2.158 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.002 -12.325 0.444 1.00 0.00 H new ATOM 743 N GLU A 51 2.062 -12.330 -1.833 1.00 0.00 N ATOM 744 CA GLU A 51 2.685 -13.639 -2.118 1.00 0.00 C ATOM 745 C GLU A 51 4.210 -13.551 -2.124 1.00 0.00 C ATOM 746 O GLU A 51 4.916 -14.482 -1.735 1.00 0.00 O ATOM 747 CB GLU A 51 2.310 -14.142 -3.517 1.00 0.00 C ATOM 748 CG GLU A 51 0.850 -14.523 -3.677 1.00 0.00 C ATOM 749 CD GLU A 51 0.513 -14.968 -5.103 1.00 0.00 C ATOM 750 OE1 GLU A 51 1.223 -14.601 -6.069 1.00 0.00 O ATOM 751 OE2 GLU A 51 -0.505 -15.682 -5.268 1.00 0.00 O ATOM 0 H GLU A 51 1.416 -12.020 -2.559 1.00 0.00 H new ATOM 0 HA GLU A 51 2.325 -14.306 -1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.552 -13.368 -4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.927 -15.008 -3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.610 -15.328 -2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.224 -13.672 -3.408 1.00 0.00 H new ATOM 758 N ALA A 52 4.731 -12.417 -2.588 1.00 0.00 N ATOM 759 CA ALA A 52 6.162 -12.146 -2.659 1.00 0.00 C ATOM 760 C ALA A 52 6.757 -11.969 -1.258 1.00 0.00 C ATOM 761 O ALA A 52 7.979 -11.934 -1.120 1.00 0.00 O ATOM 762 CB ALA A 52 6.465 -10.946 -3.567 1.00 0.00 C ATOM 0 H ALA A 52 4.157 -11.647 -2.932 1.00 0.00 H new ATOM 0 HA ALA A 52 6.644 -13.013 -3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.541 -10.774 -3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.103 -11.152 -4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.966 -10.059 -3.176 1.00 0.00 H new ATOM 768 N MET A 53 5.915 -11.934 -0.221 1.00 0.00 N ATOM 769 CA MET A 53 6.226 -11.656 1.171 1.00 0.00 C ATOM 770 C MET A 53 7.032 -10.352 1.262 1.00 0.00 C ATOM 771 O MET A 53 8.028 -10.258 1.989 1.00 0.00 O ATOM 772 CB MET A 53 6.925 -12.852 1.855 1.00 0.00 C ATOM 773 CG MET A 53 6.316 -14.239 1.590 1.00 0.00 C ATOM 774 SD MET A 53 5.045 -14.791 2.743 1.00 0.00 S ATOM 775 CE MET A 53 3.726 -15.140 1.553 1.00 0.00 C ATOM 0 H MET A 53 4.920 -12.115 -0.352 1.00 0.00 H new ATOM 0 HA MET A 53 5.298 -11.515 1.725 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.967 -12.869 1.534 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.925 -12.678 2.931 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.890 -14.239 0.587 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.122 -14.972 1.594 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.811 -15.395 2.088 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.551 -14.259 0.935 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.020 -15.976 0.918 1.00 0.00 H new ATOM 785 N ALA A 54 6.647 -9.370 0.439 1.00 0.00 N ATOM 786 CA ALA A 54 7.449 -8.197 0.128 1.00 0.00 C ATOM 787 C ALA A 54 6.862 -6.914 0.688 1.00 0.00 C ATOM 788 O ALA A 54 7.513 -5.879 0.576 1.00 0.00 O ATOM 789 CB ALA A 54 7.511 -8.051 -1.397 1.00 0.00 C ATOM 0 H ALA A 54 5.745 -9.376 -0.038 1.00 0.00 H new ATOM 0 HA ALA A 54 8.431 -8.344 0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.108 -7.176 -1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.966 -8.942 -1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.502 -7.931 -1.792 1.00 0.00 H new ATOM 795 N ILE A 55 5.629 -6.936 1.191 1.00 0.00 N ATOM 796 CA ILE A 55 4.930 -5.734 1.604 1.00 0.00 C ATOM 797 C ILE A 55 5.545 -5.272 2.918 1.00 0.00 C ATOM 798 O ILE A 55 5.396 -5.920 3.952 1.00 0.00 O ATOM 799 CB ILE A 55 3.404 -5.969 1.626 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.952 -6.009 0.155 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.686 -4.870 2.431 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.468 -6.278 -0.087 1.00 0.00 C ATOM 0 H ILE A 55 5.091 -7.793 1.321 1.00 0.00 H new ATOM 0 HA ILE A 55 5.053 -4.919 0.891 1.00 0.00 H new ATOM 0 HB ILE A 55 3.150 -6.905 2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.207 -5.056 -0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.528 -6.778 -0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.613 -5.061 2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.054 -4.872 3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.883 -3.899 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.269 -6.283 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.200 -7.246 0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.874 -5.497 0.389 1.00 0.00 H new ATOM 814 N ASP A 56 6.237 -4.139 2.840 1.00 0.00 N ATOM 815 CA ASP A 56 6.725 -3.398 3.990 1.00 0.00 C ATOM 816 C ASP A 56 5.525 -2.793 4.711 1.00 0.00 C ATOM 817 O ASP A 56 5.280 -3.103 5.876 1.00 0.00 O ATOM 818 CB ASP A 56 7.713 -2.315 3.545 1.00 0.00 C ATOM 819 CG ASP A 56 8.036 -1.370 4.701 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.985 -1.640 5.468 1.00 0.00 O ATOM 821 OD2 ASP A 56 7.340 -0.340 4.841 1.00 0.00 O ATOM 0 H ASP A 56 6.478 -3.703 1.950 1.00 0.00 H new ATOM 0 HA ASP A 56 7.259 -4.061 4.671 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.630 -2.779 3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.291 -1.750 2.714 1.00 0.00 H new ATOM 826 N THR A 57 4.748 -1.956 4.016 1.00 0.00 N ATOM 827 CA THR A 57 3.634 -1.232 4.602 1.00 0.00 C ATOM 828 C THR A 57 2.543 -1.105 3.531 1.00 0.00 C ATOM 829 O THR A 57 2.824 -0.707 2.400 1.00 0.00 O ATOM 830 CB THR A 57 4.170 0.132 5.078 1.00 0.00 C ATOM 831 OG1 THR A 57 5.116 0.002 6.124 1.00 0.00 O ATOM 832 CG2 THR A 57 3.092 1.079 5.602 1.00 0.00 C ATOM 0 H THR A 57 4.882 -1.766 3.023 1.00 0.00 H new ATOM 0 HA THR A 57 3.196 -1.741 5.461 1.00 0.00 H new ATOM 0 HB THR A 57 4.620 0.548 4.177 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.018 0.152 5.770 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.552 2.016 5.917 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.367 1.278 4.812 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.586 0.620 6.451 1.00 0.00 H new ATOM 840 N LEU A 58 1.287 -1.365 3.892 1.00 0.00 N ATOM 841 CA LEU A 58 0.120 -1.417 3.016 1.00 0.00 C ATOM 842 C LEU A 58 -0.730 -0.187 3.323 1.00 0.00 C ATOM 843 O LEU A 58 -0.830 0.231 4.474 1.00 0.00 O ATOM 844 CB LEU A 58 -0.656 -2.709 3.346 1.00 0.00 C ATOM 845 CG LEU A 58 -2.035 -2.897 2.676 1.00 0.00 C ATOM 846 CD1 LEU A 58 -1.920 -3.435 1.253 1.00 0.00 C ATOM 847 CD2 LEU A 58 -2.881 -3.900 3.466 1.00 0.00 C ATOM 0 H LEU A 58 1.044 -1.557 4.864 1.00 0.00 H new ATOM 0 HA LEU A 58 0.391 -1.421 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.029 -3.558 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.797 -2.751 4.426 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.498 -1.910 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.916 -3.550 0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.343 -2.738 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.419 -4.403 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.849 -4.021 2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.369 -4.862 3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.028 -3.532 4.482 1.00 0.00 H new ATOM 859 N LEU A 59 -1.299 0.411 2.278 1.00 0.00 N ATOM 860 CA LEU A 59 -2.202 1.553 2.307 1.00 0.00 C ATOM 861 C LEU A 59 -3.540 1.061 1.759 1.00 0.00 C ATOM 862 O LEU A 59 -3.573 0.436 0.700 1.00 0.00 O ATOM 863 CB LEU A 59 -1.691 2.775 1.495 1.00 0.00 C ATOM 864 CG LEU A 59 -0.251 2.777 0.948 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.053 3.980 0.042 1.00 0.00 C ATOM 866 CD2 LEU A 59 0.781 2.850 2.065 1.00 0.00 C ATOM 0 H LEU A 59 -1.128 0.086 1.326 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.285 1.916 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.362 2.906 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.801 3.656 2.128 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.185 1.845 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.083 3.920 -0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.623 3.971 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.085 4.903 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.783 2.849 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.633 3.765 2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.667 1.988 2.722 1.00 0.00 H new ATOM 878 N ILE A 60 -4.641 1.317 2.460 1.00 0.00 N ATOM 879 CA ILE A 60 -5.980 1.022 1.964 1.00 0.00 C ATOM 880 C ILE A 60 -6.890 2.160 2.423 1.00 0.00 C ATOM 881 O ILE A 60 -6.864 2.519 3.605 1.00 0.00 O ATOM 882 CB ILE A 60 -6.437 -0.361 2.477 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.714 -0.764 1.737 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.748 -0.438 3.986 1.00 0.00 C ATOM 885 CD1 ILE A 60 -8.152 -2.216 1.964 1.00 0.00 C ATOM 0 H ILE A 60 -4.629 1.736 3.390 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.010 0.964 0.876 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.593 -1.025 2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.522 -0.102 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.565 -0.606 0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.060 -1.451 4.242 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.855 -0.178 4.555 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.549 0.260 4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.065 -2.413 1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.365 -2.890 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.338 -2.378 3.026 1.00 0.00 H new ATOM 897 N SER A 61 -7.684 2.711 1.515 1.00 0.00 N ATOM 898 CA SER A 61 -8.764 3.619 1.842 1.00 0.00 C ATOM 899 C SER A 61 -9.775 2.839 2.676 1.00 0.00 C ATOM 900 O SER A 61 -10.178 1.730 2.307 1.00 0.00 O ATOM 901 CB SER A 61 -9.365 4.167 0.542 1.00 0.00 C ATOM 902 OG SER A 61 -8.691 5.339 0.130 1.00 0.00 O ATOM 0 H SER A 61 -7.590 2.534 0.515 1.00 0.00 H new ATOM 0 HA SER A 61 -8.424 4.478 2.421 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.300 3.411 -0.241 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.423 4.384 0.689 1.00 0.00 H new ATOM 0 HG SER A 61 -9.090 5.670 -0.702 1.00 0.00 H new ATOM 908 N ASP A 62 -10.177 3.401 3.819 1.00 0.00 N ATOM 909 CA ASP A 62 -11.177 2.793 4.687 1.00 0.00 C ATOM 910 C ASP A 62 -12.427 2.436 3.884 1.00 0.00 C ATOM 911 O ASP A 62 -12.977 1.373 4.120 1.00 0.00 O ATOM 912 CB ASP A 62 -11.476 3.631 5.943 1.00 0.00 C ATOM 913 CG ASP A 62 -12.297 4.904 5.741 1.00 0.00 C ATOM 914 OD1 ASP A 62 -13.421 4.849 5.200 1.00 0.00 O ATOM 915 OD2 ASP A 62 -11.878 5.970 6.242 1.00 0.00 O ATOM 0 H ASP A 62 -9.816 4.290 4.165 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.761 1.864 5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.002 2.997 6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.526 3.908 6.401 1.00 0.00 H new ATOM 920 N GLU A 63 -12.814 3.203 2.861 1.00 0.00 N ATOM 921 CA GLU A 63 -14.021 2.935 2.081 1.00 0.00 C ATOM 922 C GLU A 63 -13.992 1.564 1.388 1.00 0.00 C ATOM 923 O GLU A 63 -15.042 1.011 1.057 1.00 0.00 O ATOM 924 CB GLU A 63 -14.285 4.060 1.065 1.00 0.00 C ATOM 925 CG GLU A 63 -13.166 4.277 0.041 1.00 0.00 C ATOM 926 CD GLU A 63 -13.633 5.053 -1.190 1.00 0.00 C ATOM 927 OE1 GLU A 63 -14.563 4.597 -1.897 1.00 0.00 O ATOM 928 OE2 GLU A 63 -13.097 6.151 -1.463 1.00 0.00 O ATOM 0 H GLU A 63 -12.298 4.027 2.552 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.848 2.908 2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.209 3.839 0.531 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.446 4.991 1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.345 4.816 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.773 3.310 -0.272 1.00 0.00 H new ATOM 935 N LEU A 64 -12.806 0.996 1.175 1.00 0.00 N ATOM 936 CA LEU A 64 -12.624 -0.330 0.605 1.00 0.00 C ATOM 937 C LEU A 64 -12.573 -1.356 1.730 1.00 0.00 C ATOM 938 O LEU A 64 -13.199 -2.414 1.645 1.00 0.00 O ATOM 939 CB LEU A 64 -11.338 -0.367 -0.224 1.00 0.00 C ATOM 940 CG LEU A 64 -11.216 0.751 -1.272 1.00 0.00 C ATOM 941 CD1 LEU A 64 -9.951 0.572 -2.095 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.404 0.796 -2.231 1.00 0.00 C ATOM 0 H LEU A 64 -11.926 1.460 1.401 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.460 -0.569 -0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.485 -0.308 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.277 -1.330 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.188 1.686 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.880 1.372 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.082 0.606 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.982 -0.390 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.262 1.605 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.478 -0.152 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.321 0.968 -1.667 1.00 0.00 H new ATOM 954 N PHE A 65 -11.896 -1.017 2.829 1.00 0.00 N ATOM 955 CA PHE A 65 -11.923 -1.776 4.068 1.00 0.00 C ATOM 956 C PHE A 65 -13.339 -2.031 4.621 1.00 0.00 C ATOM 957 O PHE A 65 -13.517 -2.949 5.424 1.00 0.00 O ATOM 958 CB PHE A 65 -11.101 -0.988 5.092 1.00 0.00 C ATOM 959 CG PHE A 65 -10.692 -1.756 6.322 1.00 0.00 C ATOM 960 CD1 PHE A 65 -10.017 -2.990 6.216 1.00 0.00 C ATOM 961 CD2 PHE A 65 -11.015 -1.219 7.583 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.721 -3.716 7.384 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.693 -1.941 8.746 1.00 0.00 C ATOM 964 CZ PHE A 65 -10.057 -3.193 8.647 1.00 0.00 C ATOM 0 H PHE A 65 -11.303 -0.189 2.877 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.511 -2.765 3.869 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.202 -0.615 4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.678 -0.117 5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.730 -3.374 5.248 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.506 -0.260 7.656 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.235 -4.677 7.312 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.934 -1.534 9.717 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.827 -3.753 9.541 1.00 0.00 H new ATOM 974 N ARG A 66 -14.356 -1.247 4.241 1.00 0.00 N ATOM 975 CA ARG A 66 -15.742 -1.385 4.711 1.00 0.00 C ATOM 976 C ARG A 66 -16.738 -1.490 3.547 1.00 0.00 C ATOM 977 O ARG A 66 -17.930 -1.277 3.762 1.00 0.00 O ATOM 978 CB ARG A 66 -16.114 -0.303 5.761 1.00 0.00 C ATOM 979 CG ARG A 66 -15.074 0.788 6.044 1.00 0.00 C ATOM 980 CD ARG A 66 -15.481 1.710 7.189 1.00 0.00 C ATOM 981 NE ARG A 66 -15.123 3.117 6.936 1.00 0.00 N ATOM 982 CZ ARG A 66 -15.193 4.099 7.837 1.00 0.00 C ATOM 983 NH1 ARG A 66 -15.660 3.858 9.055 1.00 0.00 N ATOM 984 NH2 ARG A 66 -14.779 5.314 7.528 1.00 0.00 N ATOM 0 H ARG A 66 -14.235 -0.479 3.581 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.814 -2.336 5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.033 0.183 5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.338 -0.808 6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.119 0.320 6.282 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.922 1.381 5.142 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.557 1.635 7.346 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.000 1.376 8.108 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.797 3.359 6.000 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.968 2.919 9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.711 4.612 9.740 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.404 5.504 6.599 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.834 6.063 8.219 1.00 0.00 H new ATOM 998 N HIS A 67 -16.268 -1.854 2.349 1.00 0.00 N ATOM 999 CA HIS A 67 -17.027 -1.812 1.097 1.00 0.00 C ATOM 1000 C HIS A 67 -18.406 -2.484 1.210 1.00 0.00 C ATOM 1001 O HIS A 67 -18.561 -3.477 1.933 1.00 0.00 O ATOM 1002 CB HIS A 67 -16.176 -2.450 -0.010 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.628 -2.107 -1.399 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.781 -2.589 -2.008 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -15.949 -1.316 -2.277 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.793 -2.055 -3.237 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.709 -1.282 -3.421 1.00 0.00 N ATOM 0 H HIS A 67 -15.316 -2.197 2.221 1.00 0.00 H new ATOM 0 HA HIS A 67 -17.235 -0.770 0.852 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -15.140 -2.133 0.113 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -16.194 -3.533 0.110 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.006 -0.818 -2.108 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.564 -2.222 -3.975 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.488 -0.758 -4.268 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.405 -1.942 0.504 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.774 -2.450 0.490 1.00 0.00 C ATOM 1017 C GLN A 68 -20.840 -3.880 -0.049 1.00 0.00 C ATOM 1018 O GLN A 68 -21.498 -4.727 0.555 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.715 -1.511 -0.295 1.00 0.00 C ATOM 1020 CG GLN A 68 -21.285 -1.152 -1.734 1.00 0.00 C ATOM 1021 CD GLN A 68 -22.338 -1.494 -2.786 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -22.364 -2.592 -3.345 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -23.202 -0.553 -3.124 1.00 0.00 N ATOM 0 H GLN A 68 -19.277 -1.120 -0.086 1.00 0.00 H new ATOM 0 HA GLN A 68 -21.120 -2.476 1.523 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.701 -1.974 -0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.823 -0.585 0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -21.065 -0.086 -1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -20.361 -1.679 -1.971 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -23.176 0.354 -2.658 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -23.895 -0.734 -3.851 1.00 0.00 H new ATOM 1032 N ASP A 69 -20.171 -4.157 -1.166 1.00 0.00 N ATOM 1033 CA ASP A 69 -20.123 -5.482 -1.758 1.00 0.00 C ATOM 1034 C ASP A 69 -19.259 -6.344 -0.844 1.00 0.00 C ATOM 1035 O ASP A 69 -18.051 -6.129 -0.709 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.612 -5.419 -3.202 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.520 -6.803 -3.849 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -19.070 -7.789 -3.221 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -19.953 -6.960 -5.010 1.00 0.00 O ATOM 0 H ASP A 69 -19.643 -3.457 -1.687 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.115 -5.927 -1.833 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.277 -4.788 -3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.629 -4.948 -3.217 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.887 -7.296 -0.158 1.00 0.00 N ATOM 1045 CA VAL A 70 -19.240 -8.093 0.871 1.00 0.00 C ATOM 1046 C VAL A 70 -18.084 -8.901 0.286 1.00 0.00 C ATOM 1047 O VAL A 70 -17.063 -9.015 0.953 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.293 -8.959 1.591 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.677 -9.935 2.600 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -21.253 -8.039 2.355 1.00 0.00 C ATOM 0 H VAL A 70 -20.868 -7.535 -0.305 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.794 -7.441 1.622 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.803 -9.543 0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -20.468 -10.516 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.992 -10.608 2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -19.132 -9.376 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.003 -8.641 2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.693 -7.456 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.746 -7.365 1.654 1.00 0.00 H new ATOM 1060 N ALA A 71 -18.183 -9.416 -0.942 1.00 0.00 N ATOM 1061 CA ALA A 71 -17.090 -10.149 -1.582 1.00 0.00 C ATOM 1062 C ALA A 71 -15.924 -9.237 -1.981 1.00 0.00 C ATOM 1063 O ALA A 71 -14.777 -9.680 -2.015 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.603 -10.879 -2.819 1.00 0.00 C ATOM 0 H ALA A 71 -19.021 -9.337 -1.518 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.716 -10.863 -0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.782 -11.421 -3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.384 -11.582 -2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.010 -10.156 -3.525 1.00 0.00 H new ATOM 1070 N THR A 72 -16.196 -7.975 -2.292 1.00 0.00 N ATOM 1071 CA THR A 72 -15.185 -6.964 -2.584 1.00 0.00 C ATOM 1072 C THR A 72 -14.500 -6.572 -1.277 1.00 0.00 C ATOM 1073 O THR A 72 -13.267 -6.606 -1.207 1.00 0.00 O ATOM 1074 CB THR A 72 -15.869 -5.787 -3.305 1.00 0.00 C ATOM 1075 OG1 THR A 72 -16.285 -6.230 -4.588 1.00 0.00 O ATOM 1076 CG2 THR A 72 -15.018 -4.525 -3.463 1.00 0.00 C ATOM 0 H THR A 72 -17.149 -7.617 -2.350 1.00 0.00 H new ATOM 0 HA THR A 72 -14.406 -7.335 -3.250 1.00 0.00 H new ATOM 0 HB THR A 72 -16.703 -5.490 -2.669 1.00 0.00 H new ATOM 0 HG1 THR A 72 -16.725 -5.493 -5.062 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.595 -3.760 -3.983 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.729 -4.155 -2.479 1.00 0.00 H new ATOM 0 HG23 THR A 72 -14.123 -4.759 -4.040 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.265 -6.272 -0.221 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.734 -6.037 1.109 1.00 0.00 C ATOM 1086 C ARG A 73 -13.892 -7.228 1.552 1.00 0.00 C ATOM 1087 O ARG A 73 -12.773 -7.027 2.009 1.00 0.00 O ATOM 1088 CB ARG A 73 -15.892 -5.777 2.086 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.360 -5.270 3.426 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.483 -5.144 4.466 1.00 0.00 C ATOM 1091 NE ARG A 73 -15.964 -4.943 5.832 1.00 0.00 N ATOM 1092 CZ ARG A 73 -15.366 -5.852 6.611 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -15.346 -7.139 6.280 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -14.770 -5.466 7.729 1.00 0.00 N ATOM 0 H ARG A 73 -16.280 -6.187 -0.276 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.090 -5.158 1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.577 -5.044 1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.460 -6.695 2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.595 -5.952 3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.882 -4.300 3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.130 -4.308 4.199 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.099 -6.043 4.443 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.073 -4.009 6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.792 -7.451 5.417 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.884 -7.815 6.889 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.769 -4.481 7.992 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.313 -6.154 8.327 1.00 0.00 H new ATOM 1108 N SER A 74 -14.415 -8.451 1.438 1.00 0.00 N ATOM 1109 CA SER A 74 -13.786 -9.645 1.979 1.00 0.00 C ATOM 1110 C SER A 74 -12.356 -9.771 1.460 1.00 0.00 C ATOM 1111 O SER A 74 -11.451 -10.003 2.252 1.00 0.00 O ATOM 1112 CB SER A 74 -14.635 -10.895 1.694 1.00 0.00 C ATOM 1113 OG SER A 74 -14.550 -11.297 0.348 1.00 0.00 O ATOM 0 H SER A 74 -15.297 -8.636 0.961 1.00 0.00 H new ATOM 0 HA SER A 74 -13.728 -9.555 3.064 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.305 -11.711 2.337 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.676 -10.691 1.946 1.00 0.00 H new ATOM 0 HG SER A 74 -14.557 -10.506 -0.231 1.00 0.00 H new ATOM 1119 N ARG A 75 -12.143 -9.532 0.161 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.837 -9.572 -0.498 1.00 0.00 C ATOM 1121 C ARG A 75 -9.892 -8.646 0.237 1.00 0.00 C ATOM 1122 O ARG A 75 -8.844 -9.076 0.708 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.960 -9.120 -1.968 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.459 -10.210 -2.918 1.00 0.00 C ATOM 1125 CD ARG A 75 -12.213 -9.618 -4.111 1.00 0.00 C ATOM 1126 NE ARG A 75 -12.316 -10.579 -5.218 1.00 0.00 N ATOM 1127 CZ ARG A 75 -12.702 -10.321 -6.470 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -13.159 -9.126 -6.821 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -12.622 -11.270 -7.394 1.00 0.00 N ATOM 0 H ARG A 75 -12.901 -9.298 -0.480 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.456 -10.593 -0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.640 -8.269 -2.019 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.986 -8.771 -2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.613 -10.796 -3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.113 -10.893 -2.377 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.212 -9.316 -3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.702 -8.719 -4.455 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.066 -11.545 -5.008 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.221 -8.380 -6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.448 -8.953 -7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.266 -12.194 -7.147 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.916 -11.076 -8.351 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.271 -7.375 0.339 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.470 -6.381 1.004 1.00 0.00 C ATOM 1145 C TYR A 76 -9.114 -6.732 2.434 1.00 0.00 C ATOM 1146 O TYR A 76 -7.931 -6.663 2.764 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.201 -5.052 0.943 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.351 -4.548 -0.476 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.258 -4.560 -1.366 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.597 -4.071 -0.905 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.389 -4.014 -2.656 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -11.743 -3.562 -2.204 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.632 -3.495 -3.076 1.00 0.00 C ATOM 1154 OH TYR A 76 -10.729 -2.959 -4.319 1.00 0.00 O ATOM 0 H TYR A 76 -11.146 -7.016 -0.042 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.516 -6.325 0.479 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.187 -5.160 1.395 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.659 -4.314 1.534 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.317 -4.990 -1.057 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.444 -4.095 -0.236 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.540 -3.992 -3.323 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.710 -3.219 -2.540 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.645 -2.643 -4.469 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.092 -7.056 3.281 1.00 0.00 N ATOM 1165 CA VAL A 77 -9.810 -7.323 4.692 1.00 0.00 C ATOM 1166 C VAL A 77 -8.956 -8.579 4.832 1.00 0.00 C ATOM 1167 O VAL A 77 -8.018 -8.594 5.624 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.089 -7.369 5.550 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -11.975 -6.167 5.213 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -11.932 -8.640 5.388 1.00 0.00 C ATOM 0 H VAL A 77 -11.074 -7.139 3.019 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.233 -6.486 5.085 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.740 -7.353 6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.880 -6.200 5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.432 -5.245 5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.245 -6.199 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.810 -8.579 6.031 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.249 -8.736 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.337 -9.509 5.668 1.00 0.00 H new ATOM 1180 N ARG A 78 -9.223 -9.599 4.010 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.445 -10.825 3.969 1.00 0.00 C ATOM 1182 C ARG A 78 -6.995 -10.496 3.670 1.00 0.00 C ATOM 1183 O ARG A 78 -6.116 -10.910 4.420 1.00 0.00 O ATOM 1184 CB ARG A 78 -9.030 -11.770 2.908 1.00 0.00 C ATOM 1185 CG ARG A 78 -10.270 -12.512 3.431 1.00 0.00 C ATOM 1186 CD ARG A 78 -9.924 -13.976 3.668 1.00 0.00 C ATOM 1187 NE ARG A 78 -10.833 -14.613 4.638 1.00 0.00 N ATOM 1188 CZ ARG A 78 -10.644 -15.830 5.165 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -9.652 -16.608 4.751 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -11.464 -16.292 6.102 1.00 0.00 N ATOM 0 H ARG A 78 -9.999 -9.588 3.348 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.490 -11.327 4.936 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.296 -11.199 2.018 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.272 -12.494 2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.617 -12.055 4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.085 -12.432 2.712 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.969 -14.516 2.722 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.899 -14.051 4.030 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.661 -14.092 4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.019 -16.282 4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.522 -17.532 5.163 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.244 -15.719 6.425 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.314 -17.220 6.499 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.764 -9.738 2.600 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.451 -9.320 2.147 1.00 0.00 C ATOM 1206 C LEU A 79 -4.744 -8.462 3.198 1.00 0.00 C ATOM 1207 O LEU A 79 -3.563 -8.667 3.444 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.626 -8.590 0.809 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.306 -8.097 0.191 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.292 -9.221 -0.060 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.653 -7.434 -1.142 1.00 0.00 C ATOM 0 H LEU A 79 -7.517 -9.389 2.007 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.806 -10.186 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.119 -9.259 0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.288 -7.737 0.956 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.835 -7.410 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.385 -8.802 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.049 -9.709 0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.721 -9.951 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.741 -7.069 -1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.135 -8.161 -1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.331 -6.598 -0.967 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.446 -7.513 3.822 1.00 0.00 N ATOM 1224 CA VAL A 80 -4.950 -6.720 4.950 1.00 0.00 C ATOM 1225 C VAL A 80 -4.419 -7.650 6.042 1.00 0.00 C ATOM 1226 O VAL A 80 -3.308 -7.457 6.531 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.071 -5.779 5.457 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.894 -5.275 6.892 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.255 -4.584 4.513 1.00 0.00 C ATOM 0 H VAL A 80 -6.398 -7.269 3.550 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.118 -6.090 4.634 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.966 -6.402 5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.728 -4.624 7.155 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.867 -6.124 7.575 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.961 -4.717 6.969 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.048 -3.939 4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.325 -4.019 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.523 -4.943 3.519 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.211 -8.644 6.437 1.00 0.00 N ATOM 1240 CA ASP A 81 -4.842 -9.589 7.482 1.00 0.00 C ATOM 1241 C ASP A 81 -3.608 -10.387 7.053 1.00 0.00 C ATOM 1242 O ASP A 81 -2.669 -10.544 7.827 1.00 0.00 O ATOM 1243 CB ASP A 81 -6.028 -10.518 7.780 1.00 0.00 C ATOM 1244 CG ASP A 81 -6.468 -10.430 9.233 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -5.949 -11.210 10.062 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -7.383 -9.635 9.555 1.00 0.00 O ATOM 0 H ASP A 81 -6.133 -8.816 6.036 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.593 -9.047 8.394 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.864 -10.258 7.131 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.751 -11.546 7.546 1.00 0.00 H new ATOM 1251 N SER A 82 -3.587 -10.850 5.803 1.00 0.00 N ATOM 1252 CA SER A 82 -2.507 -11.632 5.223 1.00 0.00 C ATOM 1253 C SER A 82 -1.195 -10.853 5.118 1.00 0.00 C ATOM 1254 O SER A 82 -0.132 -11.458 5.249 1.00 0.00 O ATOM 1255 CB SER A 82 -2.962 -12.128 3.857 1.00 0.00 C ATOM 1256 OG SER A 82 -4.060 -13.018 4.003 1.00 0.00 O ATOM 0 H SER A 82 -4.350 -10.682 5.148 1.00 0.00 H new ATOM 0 HA SER A 82 -2.293 -12.472 5.883 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.249 -11.283 3.231 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.139 -12.633 3.352 1.00 0.00 H new ATOM 0 HG SER A 82 -4.880 -12.504 4.159 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.252 -9.533 4.938 1.00 0.00 N ATOM 1263 CA VAL A 83 -0.076 -8.684 5.020 1.00 0.00 C ATOM 1264 C VAL A 83 0.486 -8.741 6.443 1.00 0.00 C ATOM 1265 O VAL A 83 1.697 -8.905 6.593 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.436 -7.260 4.541 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.574 -6.196 4.979 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.516 -7.230 3.009 1.00 0.00 C ATOM 0 H VAL A 83 -2.115 -9.029 4.732 1.00 0.00 H new ATOM 0 HA VAL A 83 0.716 -9.036 4.360 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.396 -7.023 5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.259 -5.221 4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.627 -6.171 6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.556 -6.438 4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.770 -6.223 2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.448 -7.518 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.282 -7.928 2.671 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.354 -8.652 7.484 1.00 0.00 N ATOM 1279 CA LYS A 84 0.129 -8.757 8.864 1.00 0.00 C ATOM 1280 C LYS A 84 0.712 -10.144 9.120 1.00 0.00 C ATOM 1281 O LYS A 84 1.673 -10.270 9.878 1.00 0.00 O ATOM 1282 CB LYS A 84 -0.970 -8.448 9.895 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.612 -7.070 9.694 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.594 -6.730 10.822 1.00 0.00 C ATOM 1285 CE LYS A 84 -3.354 -5.452 10.459 1.00 0.00 C ATOM 1286 NZ LYS A 84 -4.133 -4.904 11.585 1.00 0.00 N ATOM 0 H LYS A 84 -1.360 -8.509 7.397 1.00 0.00 H new ATOM 0 HA LYS A 84 0.910 -8.006 8.986 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.743 -9.215 9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.545 -8.502 10.897 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.833 -6.309 9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.135 -7.048 8.738 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.293 -7.553 10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.056 -6.593 11.760 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.644 -4.699 10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.026 -5.660 9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -4.625 -4.040 11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -4.831 -5.608 11.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -3.493 -4.677 12.372 1.00 0.00 H new ATOM 1300 N GLU A 85 0.159 -11.192 8.506 1.00 0.00 N ATOM 1301 CA GLU A 85 0.715 -12.541 8.595 1.00 0.00 C ATOM 1302 C GLU A 85 2.114 -12.587 7.966 1.00 0.00 C ATOM 1303 O GLU A 85 3.001 -13.279 8.472 1.00 0.00 O ATOM 1304 CB GLU A 85 -0.219 -13.573 7.951 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.637 -13.587 8.547 1.00 0.00 C ATOM 1306 CD GLU A 85 -2.050 -14.988 8.985 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -1.683 -15.346 10.126 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -2.720 -15.702 8.197 1.00 0.00 O ATOM 0 H GLU A 85 -0.684 -11.129 7.935 1.00 0.00 H new ATOM 0 HA GLU A 85 0.807 -12.801 9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.287 -13.370 6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.220 -14.565 8.060 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.680 -12.911 9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.346 -13.213 7.809 1.00 0.00 H new ATOM 1315 N ASN A 86 2.333 -11.827 6.893 1.00 0.00 N ATOM 1316 CA ASN A 86 3.587 -11.741 6.144 1.00 0.00 C ATOM 1317 C ASN A 86 4.483 -10.614 6.679 1.00 0.00 C ATOM 1318 O ASN A 86 5.324 -10.098 5.936 1.00 0.00 O ATOM 1319 CB ASN A 86 3.292 -11.578 4.645 1.00 0.00 C ATOM 1320 CG ASN A 86 2.640 -12.816 4.054 1.00 0.00 C ATOM 1321 OD1 ASN A 86 2.518 -13.871 4.676 1.00 0.00 O ATOM 1322 ND2 ASN A 86 2.219 -12.724 2.813 1.00 0.00 N ATOM 0 H ASN A 86 1.606 -11.226 6.504 1.00 0.00 H new ATOM 0 HA ASN A 86 4.141 -12.670 6.281 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.639 -10.718 4.496 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.220 -11.369 4.114 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.788 -13.530 2.360 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.323 -11.847 2.303 1.00 0.00 H new ATOM 1329 N ALA A 87 4.317 -10.217 7.948 1.00 0.00 N ATOM 1330 CA ALA A 87 5.115 -9.206 8.648 1.00 0.00 C ATOM 1331 C ALA A 87 5.154 -7.842 7.937 1.00 0.00 C ATOM 1332 O ALA A 87 6.129 -7.092 8.069 1.00 0.00 O ATOM 1333 CB ALA A 87 6.513 -9.761 8.955 1.00 0.00 C ATOM 0 H ALA A 87 3.587 -10.612 8.541 1.00 0.00 H new ATOM 0 HA ALA A 87 4.615 -8.996 9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 87 7.099 -9.003 9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.423 -10.646 9.585 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.011 -10.028 8.023 1.00 0.00 H new ATOM 1339 N GLY A 88 4.103 -7.504 7.191 1.00 0.00 N ATOM 1340 CA GLY A 88 3.901 -6.183 6.630 1.00 0.00 C ATOM 1341 C GLY A 88 2.996 -5.364 7.542 1.00 0.00 C ATOM 1342 O GLY A 88 2.074 -5.880 8.175 1.00 0.00 O ATOM 0 H GLY A 88 3.357 -8.160 6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.860 -5.680 6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.455 -6.264 5.639 1.00 0.00 H new ATOM 1346 N THR A 89 3.260 -4.066 7.605 1.00 0.00 N ATOM 1347 CA THR A 89 2.468 -3.108 8.348 1.00 0.00 C ATOM 1348 C THR A 89 1.204 -2.778 7.548 1.00 0.00 C ATOM 1349 O THR A 89 1.185 -2.840 6.318 1.00 0.00 O ATOM 1350 CB THR A 89 3.378 -1.896 8.614 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.325 -2.275 9.603 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.647 -0.632 9.079 1.00 0.00 C ATOM 0 H THR A 89 4.055 -3.643 7.125 1.00 0.00 H new ATOM 0 HA THR A 89 2.119 -3.488 9.308 1.00 0.00 H new ATOM 0 HB THR A 89 3.840 -1.632 7.663 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.921 -1.520 9.792 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.370 0.168 9.241 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.931 -0.325 8.317 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.120 -0.838 10.010 1.00 0.00 H new ATOM 1360 N VAL A 90 0.155 -2.353 8.248 1.00 0.00 N ATOM 1361 CA VAL A 90 -1.100 -1.887 7.671 1.00 0.00 C ATOM 1362 C VAL A 90 -1.244 -0.405 8.016 1.00 0.00 C ATOM 1363 O VAL A 90 -0.747 0.051 9.055 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.232 -2.793 8.207 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.665 -2.282 7.987 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -2.091 -4.183 7.559 1.00 0.00 C ATOM 0 H VAL A 90 0.157 -2.323 9.268 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.139 -1.959 6.584 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.103 -2.812 9.289 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.374 -2.998 8.403 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.788 -1.319 8.483 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.850 -2.167 6.919 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.882 -4.837 7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.170 -4.089 6.476 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.121 -4.608 7.816 1.00 0.00 H new ATOM 1376 N ARG A 91 -1.906 0.347 7.133 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.294 1.739 7.317 1.00 0.00 C ATOM 1378 C ARG A 91 -3.709 1.850 6.789 1.00 0.00 C ATOM 1379 O ARG A 91 -3.968 1.567 5.617 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.386 2.692 6.504 1.00 0.00 C ATOM 1381 CG ARG A 91 0.135 2.525 6.651 1.00 0.00 C ATOM 1382 CD ARG A 91 0.723 3.433 7.727 1.00 0.00 C ATOM 1383 NE ARG A 91 2.189 3.307 7.801 1.00 0.00 N ATOM 1384 CZ ARG A 91 3.003 4.047 8.563 1.00 0.00 C ATOM 1385 NH1 ARG A 91 2.509 4.878 9.471 1.00 0.00 N ATOM 1386 NH2 ARG A 91 4.321 3.955 8.418 1.00 0.00 N ATOM 0 H ARG A 91 -2.198 -0.021 6.228 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.209 2.019 8.367 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.636 2.576 5.449 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.640 3.715 6.781 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.361 1.487 6.893 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.615 2.741 5.696 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.456 4.469 7.516 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.286 3.182 8.694 1.00 0.00 H new ATOM 0 HE ARG A 91 2.623 2.591 7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.500 4.958 9.594 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.139 5.437 10.047 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.715 3.319 7.724 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.939 4.520 9.000 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.621 2.270 7.648 1.00 0.00 N ATOM 1401 CA ILE A 92 -5.989 2.565 7.260 1.00 0.00 C ATOM 1402 C ILE A 92 -5.957 4.037 6.900 1.00 0.00 C ATOM 1403 O ILE A 92 -5.604 4.841 7.764 1.00 0.00 O ATOM 1404 CB ILE A 92 -6.983 2.289 8.408 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.666 1.005 9.200 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.416 2.292 7.848 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.782 -0.292 8.412 1.00 0.00 C ATOM 0 H ILE A 92 -4.432 2.417 8.640 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.329 1.937 6.436 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.882 3.091 9.139 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.653 1.082 9.594 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.338 0.951 10.057 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.122 2.097 8.655 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.631 3.264 7.404 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.511 1.517 7.088 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.539 -1.134 9.060 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.801 -0.402 8.041 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.090 -0.270 7.571 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.283 4.379 5.662 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.356 5.756 5.223 1.00 0.00 C ATOM 1421 C PHE A 93 -7.780 6.202 5.481 1.00 0.00 C ATOM 1422 O PHE A 93 -8.725 5.561 5.023 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.052 5.867 3.727 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.594 6.011 3.354 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.561 5.356 4.058 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.281 6.800 2.238 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.223 5.535 3.668 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -2.951 6.952 1.839 1.00 0.00 C ATOM 1429 CZ PHE A 93 -1.917 6.341 2.558 1.00 0.00 C ATOM 0 H PHE A 93 -6.505 3.701 4.933 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.629 6.371 5.753 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.448 4.981 3.230 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.594 6.725 3.329 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.799 4.718 4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.069 7.291 1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.430 5.053 4.221 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.718 7.546 0.968 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.889 6.488 2.261 1.00 0.00 H new ATOM 1439 N SER A 94 -7.934 7.292 6.222 1.00 0.00 N ATOM 1440 CA SER A 94 -9.201 7.985 6.293 1.00 0.00 C ATOM 1441 C SER A 94 -9.551 8.510 4.901 1.00 0.00 C ATOM 1442 O SER A 94 -8.880 9.421 4.416 1.00 0.00 O ATOM 1443 CB SER A 94 -9.122 9.067 7.369 1.00 0.00 C ATOM 1444 OG SER A 94 -9.025 8.433 8.636 1.00 0.00 O ATOM 0 H SER A 94 -7.191 7.711 6.781 1.00 0.00 H new ATOM 0 HA SER A 94 -10.012 7.321 6.590 1.00 0.00 H new ATOM 0 HB2 SER A 94 -8.257 9.709 7.199 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.005 9.705 7.331 1.00 0.00 H new ATOM 0 HG SER A 94 -8.972 9.114 9.339 1.00 0.00 H new ATOM 1450 N SER A 95 -10.565 7.918 4.264 1.00 0.00 N ATOM 1451 CA SER A 95 -10.943 8.150 2.866 1.00 0.00 C ATOM 1452 C SER A 95 -11.239 9.626 2.566 1.00 0.00 C ATOM 1453 O SER A 95 -11.088 10.080 1.436 1.00 0.00 O ATOM 1454 CB SER A 95 -12.180 7.297 2.540 1.00 0.00 C ATOM 1455 OG SER A 95 -12.026 5.979 3.036 1.00 0.00 O ATOM 0 H SER A 95 -11.169 7.238 4.725 1.00 0.00 H new ATOM 0 HA SER A 95 -10.096 7.865 2.241 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.068 7.754 2.977 1.00 0.00 H new ATOM 0 HB3 SER A 95 -12.334 7.269 1.461 1.00 0.00 H new ATOM 0 HG SER A 95 -11.160 5.621 2.750 1.00 0.00 H new ATOM 1461 N LEU A 96 -11.672 10.366 3.590 1.00 0.00 N ATOM 1462 CA LEU A 96 -12.058 11.759 3.577 1.00 0.00 C ATOM 1463 C LEU A 96 -10.864 12.676 3.302 1.00 0.00 C ATOM 1464 O LEU A 96 -11.028 13.767 2.764 1.00 0.00 O ATOM 1465 CB LEU A 96 -12.620 12.080 4.974 1.00 0.00 C ATOM 1466 CG LEU A 96 -13.713 11.146 5.542 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -14.931 11.069 4.627 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -13.288 9.728 5.968 1.00 0.00 C ATOM 0 H LEU A 96 -11.765 9.962 4.522 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.790 11.926 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.787 12.087 5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -13.024 13.092 4.948 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.963 11.644 6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.674 10.402 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.361 12.064 4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.630 10.686 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.155 9.186 6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.876 9.198 5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -12.532 9.794 6.750 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.676 12.271 3.752 1.00 0.00 N ATOM 1481 CA HIS A 97 -8.440 13.022 3.722 1.00 0.00 C ATOM 1482 C HIS A 97 -7.907 13.129 2.287 1.00 0.00 C ATOM 1483 O HIS A 97 -8.175 12.252 1.465 1.00 0.00 O ATOM 1484 CB HIS A 97 -7.481 12.220 4.613 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.266 12.967 5.049 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -4.978 12.706 4.664 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -6.255 14.034 5.899 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -4.205 13.647 5.208 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -4.927 14.490 5.977 1.00 0.00 N ATOM 0 H HIS A 97 -9.554 11.350 4.172 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.564 14.046 4.074 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.023 11.885 5.498 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.168 11.326 4.074 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.107 14.451 6.416 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.139 13.725 5.053 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.581 15.291 6.505 1.00 0.00 H new ATOM 1497 N VAL A 98 -7.052 14.115 1.991 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.468 14.252 0.656 1.00 0.00 C ATOM 1499 C VAL A 98 -5.547 13.071 0.320 1.00 0.00 C ATOM 1500 O VAL A 98 -5.246 12.817 -0.842 1.00 0.00 O ATOM 1501 CB VAL A 98 -5.758 15.617 0.506 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -4.293 15.601 0.970 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -5.798 16.096 -0.952 1.00 0.00 C ATOM 0 H VAL A 98 -6.751 14.827 2.657 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.277 14.228 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.308 16.300 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.858 16.591 0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.248 15.324 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.732 14.876 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.292 17.058 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.295 15.367 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.835 16.203 -1.272 1.00 0.00 H new ATOM 1513 N SER A 99 -5.067 12.326 1.314 1.00 0.00 N ATOM 1514 CA SER A 99 -4.323 11.104 1.054 1.00 0.00 C ATOM 1515 C SER A 99 -5.257 9.983 0.566 1.00 0.00 C ATOM 1516 O SER A 99 -4.787 9.110 -0.155 1.00 0.00 O ATOM 1517 CB SER A 99 -3.514 10.734 2.300 1.00 0.00 C ATOM 1518 OG SER A 99 -2.724 11.845 2.687 1.00 0.00 O ATOM 0 H SER A 99 -5.182 12.550 2.303 1.00 0.00 H new ATOM 0 HA SER A 99 -3.613 11.260 0.242 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.183 10.448 3.111 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.877 9.874 2.093 1.00 0.00 H new ATOM 0 HG SER A 99 -1.805 11.718 2.372 1.00 0.00 H new ATOM 1524 N GLY A 100 -6.560 10.030 0.866 1.00 0.00 N ATOM 1525 CA GLY A 100 -7.572 9.152 0.290 1.00 0.00 C ATOM 1526 C GLY A 100 -7.890 9.573 -1.143 1.00 0.00 C ATOM 1527 O GLY A 100 -7.939 8.724 -2.030 1.00 0.00 O ATOM 0 H GLY A 100 -6.944 10.698 1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.218 8.121 0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.478 9.185 0.895 1.00 0.00 H new ATOM 1531 N GLU A 101 -8.030 10.878 -1.406 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.135 11.428 -2.764 1.00 0.00 C ATOM 1533 C GLU A 101 -6.969 10.921 -3.624 1.00 0.00 C ATOM 1534 O GLU A 101 -7.157 10.422 -4.734 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.122 12.961 -2.702 1.00 0.00 C ATOM 1536 CG GLU A 101 -9.448 13.562 -2.224 1.00 0.00 C ATOM 1537 CD GLU A 101 -10.552 13.575 -3.287 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -10.230 13.695 -4.494 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -11.744 13.528 -2.903 1.00 0.00 O ATOM 0 H GLU A 101 -8.074 11.589 -0.676 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.071 11.100 -3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.324 13.283 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.888 13.355 -3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.799 12.998 -1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.271 14.584 -1.888 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.752 11.007 -3.089 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.553 10.538 -3.762 1.00 0.00 C ATOM 1548 C GLN A 102 -4.575 9.018 -3.939 1.00 0.00 C ATOM 1549 O GLN A 102 -4.249 8.529 -5.019 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.325 11.032 -2.990 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.126 12.529 -3.253 1.00 0.00 C ATOM 1552 CD GLN A 102 -2.014 13.152 -2.431 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -0.946 13.468 -2.952 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -2.259 13.336 -1.145 1.00 0.00 N ATOM 0 H GLN A 102 -5.574 11.408 -2.168 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.508 10.950 -4.770 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.457 10.853 -1.923 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.440 10.476 -3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -2.910 12.677 -4.311 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.058 13.053 -3.042 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.159 13.059 -0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.548 13.755 -0.545 1.00 0.00 H new ATOM 1563 N LEU A 103 -4.999 8.253 -2.927 1.00 0.00 N ATOM 1564 CA LEU A 103 -5.096 6.806 -3.065 1.00 0.00 C ATOM 1565 C LEU A 103 -6.094 6.417 -4.147 1.00 0.00 C ATOM 1566 O LEU A 103 -5.886 5.417 -4.823 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.491 6.127 -1.741 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.840 4.748 -1.563 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.322 4.746 -1.552 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.284 4.136 -0.235 1.00 0.00 C ATOM 0 H LEU A 103 -5.277 8.613 -2.014 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.104 6.458 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.204 6.770 -0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.575 6.020 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.167 4.180 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.960 3.726 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.951 5.144 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.963 5.366 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.820 3.157 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.981 4.787 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.368 4.027 -0.229 1.00 0.00 H new ATOM 1582 N SER A 104 -7.162 7.189 -4.321 1.00 0.00 N ATOM 1583 CA SER A 104 -8.235 6.939 -5.280 1.00 0.00 C ATOM 1584 C SER A 104 -7.709 6.891 -6.718 1.00 0.00 C ATOM 1585 O SER A 104 -8.141 6.043 -7.502 1.00 0.00 O ATOM 1586 CB SER A 104 -9.307 8.022 -5.147 1.00 0.00 C ATOM 1587 OG SER A 104 -9.812 8.064 -3.822 1.00 0.00 O ATOM 0 H SER A 104 -7.310 8.039 -3.777 1.00 0.00 H new ATOM 0 HA SER A 104 -8.669 5.964 -5.056 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.887 8.992 -5.413 1.00 0.00 H new ATOM 0 HB3 SER A 104 -10.120 7.825 -5.846 1.00 0.00 H new ATOM 0 HG SER A 104 -9.159 8.502 -3.237 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.719 7.723 -7.064 1.00 0.00 N ATOM 1594 CA GLN A 105 -6.008 7.654 -8.345 1.00 0.00 C ATOM 1595 C GLN A 105 -5.344 6.285 -8.567 1.00 0.00 C ATOM 1596 O GLN A 105 -5.057 5.902 -9.700 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.936 8.748 -8.379 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.474 10.174 -8.557 1.00 0.00 C ATOM 1599 CD GLN A 105 -4.296 11.142 -8.642 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -3.512 11.110 -9.592 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -4.055 11.957 -7.630 1.00 0.00 N ATOM 0 H GLN A 105 -6.386 8.471 -6.455 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.737 7.800 -9.142 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.363 8.704 -7.453 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.243 8.532 -9.192 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.080 10.238 -9.461 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.120 10.440 -7.721 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.698 11.991 -6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.226 12.552 -7.640 1.00 0.00 H new ATOM 1610 N LEU A 106 -5.116 5.531 -7.493 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.492 4.218 -7.444 1.00 0.00 C ATOM 1612 C LEU A 106 -5.528 3.158 -7.026 1.00 0.00 C ATOM 1613 O LEU A 106 -5.172 2.088 -6.530 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.296 4.258 -6.476 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.272 5.388 -6.707 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.367 5.511 -5.484 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.420 5.120 -7.949 1.00 0.00 C ATOM 0 H LEU A 106 -5.386 5.852 -6.563 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.122 3.944 -8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.680 4.346 -5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.773 3.304 -6.538 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.818 6.318 -6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.643 6.309 -5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.971 5.741 -4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.840 4.570 -5.325 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.708 5.934 -8.085 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.879 4.182 -7.824 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.065 5.052 -8.825 1.00 0.00 H new ATOM 1629 N THR A 107 -6.820 3.444 -7.211 1.00 0.00 N ATOM 1630 CA THR A 107 -7.992 2.625 -6.889 1.00 0.00 C ATOM 1631 C THR A 107 -8.312 2.560 -5.389 1.00 0.00 C ATOM 1632 O THR A 107 -9.308 1.946 -5.017 1.00 0.00 O ATOM 1633 CB THR A 107 -7.949 1.226 -7.548 1.00 0.00 C ATOM 1634 OG1 THR A 107 -7.128 0.311 -6.851 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.483 1.251 -9.003 1.00 0.00 C ATOM 0 H THR A 107 -7.097 4.333 -7.627 1.00 0.00 H new ATOM 0 HA THR A 107 -8.833 3.152 -7.339 1.00 0.00 H new ATOM 0 HB THR A 107 -8.987 0.896 -7.508 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.354 0.783 -6.480 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.477 0.236 -9.401 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.162 1.868 -9.592 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.477 1.667 -9.056 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.505 3.201 -4.543 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.627 3.275 -3.095 1.00 0.00 C ATOM 1645 C GLY A 108 -6.946 2.112 -2.365 1.00 0.00 C ATOM 1646 O GLY A 108 -7.189 1.930 -1.175 1.00 0.00 O ATOM 0 H GLY A 108 -6.693 3.717 -4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.195 4.214 -2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.684 3.293 -2.828 1.00 0.00 H new ATOM 1650 N VAL A 109 -6.069 1.337 -3.016 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.287 0.302 -2.342 1.00 0.00 C ATOM 1652 C VAL A 109 -3.876 0.279 -2.939 1.00 0.00 C ATOM 1653 O VAL A 109 -3.731 0.295 -4.165 1.00 0.00 O ATOM 1654 CB VAL A 109 -6.039 -1.048 -2.426 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -5.946 -1.715 -3.789 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.572 -2.023 -1.342 1.00 0.00 C ATOM 0 H VAL A 109 -5.885 1.411 -4.017 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.170 0.513 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.087 -0.798 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.496 -2.656 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.374 -1.058 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -4.901 -1.911 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.123 -2.959 -1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.506 -2.216 -1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.755 -1.589 -0.359 1.00 0.00 H new ATOM 1666 N ALA A 110 -2.836 0.246 -2.101 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.443 0.164 -2.542 1.00 0.00 C ATOM 1668 C ALA A 110 -0.543 -0.331 -1.404 1.00 0.00 C ATOM 1669 O ALA A 110 -1.033 -0.561 -0.307 1.00 0.00 O ATOM 1670 CB ALA A 110 -0.993 1.534 -3.070 1.00 0.00 C ATOM 0 H ALA A 110 -2.940 0.276 -1.087 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.360 -0.560 -3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 110 0.045 1.474 -3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.624 1.825 -3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.080 2.276 -2.276 1.00 0.00 H new ATOM 1676 N ALA A 111 0.760 -0.524 -1.625 1.00 0.00 N ATOM 1677 CA ALA A 111 1.722 -0.892 -0.586 1.00 0.00 C ATOM 1678 C ALA A 111 3.137 -0.571 -1.057 1.00 0.00 C ATOM 1679 O ALA A 111 3.432 -0.700 -2.245 1.00 0.00 O ATOM 1680 CB ALA A 111 1.657 -2.391 -0.261 1.00 0.00 C ATOM 0 H ALA A 111 1.182 -0.427 -2.548 1.00 0.00 H new ATOM 0 HA ALA A 111 1.470 -0.322 0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.385 -2.627 0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.657 -2.644 0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.882 -2.968 -1.158 1.00 0.00 H new ATOM 1686 N ILE A 112 4.013 -0.245 -0.112 1.00 0.00 N ATOM 1687 CA ILE A 112 5.448 -0.156 -0.335 1.00 0.00 C ATOM 1688 C ILE A 112 5.990 -1.573 -0.208 1.00 0.00 C ATOM 1689 O ILE A 112 5.552 -2.338 0.660 1.00 0.00 O ATOM 1690 CB ILE A 112 6.109 0.791 0.699 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.643 2.231 0.413 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.640 0.665 0.642 1.00 0.00 C ATOM 1693 CD1 ILE A 112 6.085 3.314 1.414 1.00 0.00 C ATOM 0 H ILE A 112 3.738 -0.032 0.847 1.00 0.00 H new ATOM 0 HA ILE A 112 5.670 0.259 -1.318 1.00 0.00 H new ATOM 0 HB ILE A 112 5.806 0.516 1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.003 2.515 -0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.554 2.233 0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.088 1.337 1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.929 -0.362 0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.990 0.930 -0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.693 4.281 1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.702 3.071 2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 112 7.174 3.357 1.446 1.00 0.00 H new ATOM 1705 N LEU A 113 6.974 -1.892 -1.044 1.00 0.00 N ATOM 1706 CA LEU A 113 7.651 -3.169 -1.044 1.00 0.00 C ATOM 1707 C LEU A 113 9.065 -2.986 -0.511 1.00 0.00 C ATOM 1708 O LEU A 113 9.729 -1.978 -0.778 1.00 0.00 O ATOM 1709 CB LEU A 113 7.688 -3.766 -2.458 1.00 0.00 C ATOM 1710 CG LEU A 113 6.310 -3.862 -3.139 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.424 -4.116 -4.638 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.450 -4.972 -2.555 1.00 0.00 C ATOM 0 H LEU A 113 7.325 -1.249 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 113 7.106 -3.861 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.346 -3.159 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.126 -4.763 -2.408 1.00 0.00 H new ATOM 0 HG LEU A 113 5.842 -2.895 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.427 -4.176 -5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.975 -3.300 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.952 -5.054 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.490 -4.997 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.955 -5.929 -2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.288 -4.786 -1.493 1.00 0.00 H new ATOM 1724 N ARG A 114 9.556 -4.004 0.190 1.00 0.00 N ATOM 1725 CA ARG A 114 10.947 -4.131 0.606 1.00 0.00 C ATOM 1726 C ARG A 114 11.858 -4.129 -0.616 1.00 0.00 C ATOM 1727 O ARG A 114 12.898 -3.471 -0.617 1.00 0.00 O ATOM 1728 CB ARG A 114 11.131 -5.440 1.390 1.00 0.00 C ATOM 1729 CG ARG A 114 10.302 -5.526 2.679 1.00 0.00 C ATOM 1730 CD ARG A 114 10.603 -6.835 3.427 1.00 0.00 C ATOM 1731 NE ARG A 114 11.915 -6.827 4.096 1.00 0.00 N ATOM 1732 CZ ARG A 114 12.273 -6.039 5.118 1.00 0.00 C ATOM 1733 NH1 ARG A 114 11.372 -5.296 5.750 1.00 0.00 N ATOM 1734 NH2 ARG A 114 13.551 -5.981 5.483 1.00 0.00 N ATOM 0 H ARG A 114 8.977 -4.787 0.493 1.00 0.00 H new ATOM 0 HA ARG A 114 11.209 -3.287 1.244 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.865 -6.277 0.744 1.00 0.00 H new ATOM 0 HB3 ARG A 114 12.185 -5.554 1.642 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.527 -4.674 3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.240 -5.473 2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 114 9.824 -7.010 4.169 1.00 0.00 H new ATOM 0 HD3 ARG A 114 10.565 -7.666 2.723 1.00 0.00 H new ATOM 0 HE ARG A 114 12.616 -7.482 3.749 1.00 0.00 H new ATOM 0 HH11 ARG A 114 10.395 -5.321 5.458 1.00 0.00 H new ATOM 0 HH12 ARG A 114 11.657 -4.700 6.527 1.00 0.00 H new ATOM 0 HH21 ARG A 114 14.249 -6.534 4.986 1.00 0.00 H new ATOM 0 HH22 ARG A 114 13.833 -5.384 6.260 1.00 0.00 H new ATOM 1748 N PHE A 115 11.485 -4.871 -1.654 1.00 0.00 N ATOM 1749 CA PHE A 115 12.312 -5.177 -2.812 1.00 0.00 C ATOM 1750 C PHE A 115 11.438 -5.187 -4.072 1.00 0.00 C ATOM 1751 O PHE A 115 10.214 -5.277 -3.955 1.00 0.00 O ATOM 1752 CB PHE A 115 13.007 -6.527 -2.584 1.00 0.00 C ATOM 1753 CG PHE A 115 12.168 -7.610 -1.957 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.186 -8.262 -2.720 1.00 0.00 C ATOM 1755 CD2 PHE A 115 12.395 -7.982 -0.622 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.428 -9.289 -2.138 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.635 -9.011 -0.050 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.649 -9.667 -0.803 1.00 0.00 C ATOM 0 H PHE A 115 10.558 -5.293 -1.712 1.00 0.00 H new ATOM 0 HA PHE A 115 13.082 -4.418 -2.950 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.373 -6.890 -3.544 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.880 -6.361 -1.952 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.016 -7.975 -3.747 1.00 0.00 H new ATOM 0 HD2 PHE A 115 13.151 -7.478 -0.039 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.670 -9.792 -2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.809 -9.301 0.976 1.00 0.00 H new ATOM 0 HZ PHE A 115 10.063 -10.458 -0.359 1.00 0.00 H new ATOM 1768 N PRO A 116 12.036 -5.077 -5.271 1.00 0.00 N ATOM 1769 CA PRO A 116 11.311 -5.062 -6.531 1.00 0.00 C ATOM 1770 C PRO A 116 10.748 -6.454 -6.828 1.00 0.00 C ATOM 1771 O PRO A 116 11.505 -7.411 -7.015 1.00 0.00 O ATOM 1772 CB PRO A 116 12.318 -4.578 -7.578 1.00 0.00 C ATOM 1773 CG PRO A 116 13.662 -5.018 -7.013 1.00 0.00 C ATOM 1774 CD PRO A 116 13.466 -4.958 -5.505 1.00 0.00 C ATOM 0 HA PRO A 116 10.446 -4.399 -6.519 1.00 0.00 H new ATOM 0 HB2 PRO A 116 12.128 -5.025 -8.554 1.00 0.00 H new ATOM 0 HB3 PRO A 116 12.272 -3.497 -7.708 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.923 -6.024 -7.342 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.467 -4.358 -7.337 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.009 -5.764 -5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 116 13.849 -4.021 -5.101 1.00 0.00 H new ATOM 1782 N VAL A 117 9.423 -6.593 -6.832 1.00 0.00 N ATOM 1783 CA VAL A 117 8.769 -7.852 -7.177 1.00 0.00 C ATOM 1784 C VAL A 117 9.001 -8.082 -8.685 1.00 0.00 C ATOM 1785 O VAL A 117 8.624 -7.218 -9.481 1.00 0.00 O ATOM 1786 CB VAL A 117 7.274 -7.768 -6.824 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.488 -9.015 -7.266 1.00 0.00 C ATOM 1788 CG2 VAL A 117 7.012 -7.571 -5.322 1.00 0.00 C ATOM 0 H VAL A 117 8.777 -5.840 -6.597 1.00 0.00 H new ATOM 0 HA VAL A 117 9.178 -8.693 -6.617 1.00 0.00 H new ATOM 0 HB VAL A 117 6.928 -6.891 -7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.439 -8.900 -6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.569 -9.132 -8.347 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.898 -9.897 -6.774 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.938 -7.520 -5.144 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.433 -8.409 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.479 -6.644 -4.990 1.00 0.00 H new ATOM 1798 N PRO A 118 9.578 -9.218 -9.116 1.00 0.00 N ATOM 1799 CA PRO A 118 10.009 -9.456 -10.498 1.00 0.00 C ATOM 1800 C PRO A 118 8.852 -9.812 -11.454 1.00 0.00 C ATOM 1801 O PRO A 118 9.062 -10.537 -12.428 1.00 0.00 O ATOM 1802 CB PRO A 118 11.025 -10.601 -10.368 1.00 0.00 C ATOM 1803 CG PRO A 118 10.459 -11.435 -9.223 1.00 0.00 C ATOM 1804 CD PRO A 118 9.937 -10.356 -8.278 1.00 0.00 C ATOM 0 HA PRO A 118 10.431 -8.557 -10.947 1.00 0.00 H new ATOM 0 HB2 PRO A 118 11.101 -11.179 -11.289 1.00 0.00 H new ATOM 0 HB3 PRO A 118 12.024 -10.230 -10.141 1.00 0.00 H new ATOM 0 HG2 PRO A 118 9.666 -12.104 -9.558 1.00 0.00 H new ATOM 0 HG3 PRO A 118 11.222 -12.055 -8.753 1.00 0.00 H new ATOM 0 HD2 PRO A 118 9.073 -10.714 -7.718 1.00 0.00 H new ATOM 0 HD3 PRO A 118 10.697 -10.077 -7.548 1.00 0.00 H new ATOM 1812 N SER A 119 7.617 -9.408 -11.152 1.00 0.00 N ATOM 1813 CA SER A 119 6.412 -9.898 -11.798 1.00 0.00 C ATOM 1814 C SER A 119 5.384 -8.769 -11.774 1.00 0.00 C ATOM 1815 O SER A 119 5.021 -8.294 -10.690 1.00 0.00 O ATOM 1816 CB SER A 119 5.950 -11.136 -11.012 1.00 0.00 C ATOM 1817 OG SER A 119 4.879 -11.820 -11.633 1.00 0.00 O ATOM 0 H SER A 119 7.429 -8.712 -10.431 1.00 0.00 H new ATOM 0 HA SER A 119 6.566 -10.188 -12.837 1.00 0.00 H new ATOM 0 HB2 SER A 119 6.791 -11.820 -10.896 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.646 -10.831 -10.011 1.00 0.00 H new ATOM 0 HG SER A 119 4.629 -12.597 -11.091 1.00 0.00 H new ATOM 1823 N GLY A 120 4.902 -8.334 -12.941 1.00 0.00 N ATOM 1824 CA GLY A 120 3.909 -7.277 -13.002 1.00 0.00 C ATOM 1825 C GLY A 120 3.585 -6.794 -14.414 1.00 0.00 C ATOM 1826 O GLY A 120 4.172 -7.274 -15.390 1.00 0.00 O ATOM 0 H GLY A 120 5.187 -8.701 -13.849 1.00 0.00 H new ATOM 0 HA2 GLY A 120 2.991 -7.631 -12.533 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.262 -6.430 -12.414 1.00 0.00 H new ATOM 1830 N PRO A 121 2.649 -5.835 -14.523 1.00 0.00 N ATOM 1831 CA PRO A 121 1.980 -5.432 -15.761 1.00 0.00 C ATOM 1832 C PRO A 121 2.790 -4.475 -16.649 1.00 0.00 C ATOM 1833 O PRO A 121 2.209 -3.894 -17.566 1.00 0.00 O ATOM 1834 CB PRO A 121 0.685 -4.760 -15.278 1.00 0.00 C ATOM 1835 CG PRO A 121 1.135 -4.080 -13.992 1.00 0.00 C ATOM 1836 CD PRO A 121 2.046 -5.140 -13.390 1.00 0.00 C ATOM 0 HA PRO A 121 1.824 -6.298 -16.404 1.00 0.00 H new ATOM 0 HB2 PRO A 121 0.303 -4.044 -16.005 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -0.108 -5.486 -15.099 1.00 0.00 H new ATOM 0 HG2 PRO A 121 1.664 -3.147 -14.185 1.00 0.00 H new ATOM 0 HG3 PRO A 121 0.296 -3.842 -13.339 1.00 0.00 H new ATOM 0 HD2 PRO A 121 2.809 -4.686 -12.758 1.00 0.00 H new ATOM 0 HD3 PRO A 121 1.482 -5.830 -12.763 1.00 0.00 H new ATOM 1844 N SER A 122 4.082 -4.258 -16.374 1.00 0.00 N ATOM 1845 CA SER A 122 4.920 -3.316 -17.114 1.00 0.00 C ATOM 1846 C SER A 122 4.838 -3.607 -18.623 1.00 0.00 C ATOM 1847 O SER A 122 4.677 -4.768 -19.018 1.00 0.00 O ATOM 1848 CB SER A 122 6.357 -3.402 -16.567 1.00 0.00 C ATOM 1849 OG SER A 122 6.984 -2.132 -16.484 1.00 0.00 O ATOM 0 H SER A 122 4.577 -4.738 -15.623 1.00 0.00 H new ATOM 0 HA SER A 122 4.568 -2.294 -16.977 1.00 0.00 H new ATOM 0 HB2 SER A 122 6.339 -3.860 -15.578 1.00 0.00 H new ATOM 0 HB3 SER A 122 6.948 -4.054 -17.210 1.00 0.00 H new ATOM 0 HG SER A 122 7.892 -2.238 -16.130 1.00 0.00 H new ATOM 1855 N SER A 123 4.945 -2.577 -19.462 1.00 0.00 N ATOM 1856 CA SER A 123 4.804 -2.690 -20.910 1.00 0.00 C ATOM 1857 C SER A 123 5.774 -1.730 -21.605 1.00 0.00 C ATOM 1858 O SER A 123 5.484 -0.529 -21.699 1.00 0.00 O ATOM 1859 CB SER A 123 3.337 -2.439 -21.297 1.00 0.00 C ATOM 1860 OG SER A 123 2.807 -1.279 -20.662 1.00 0.00 O ATOM 0 H SER A 123 5.135 -1.626 -19.147 1.00 0.00 H new ATOM 0 HA SER A 123 5.064 -3.695 -21.242 1.00 0.00 H new ATOM 0 HB2 SER A 123 3.262 -2.326 -22.379 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.737 -3.307 -21.025 1.00 0.00 H new ATOM 0 HG SER A 123 3.453 -0.545 -20.729 1.00 0.00 H new ATOM 1866 N GLY A 124 6.923 -2.223 -22.069 1.00 0.00 N ATOM 1867 CA GLY A 124 7.946 -1.453 -22.765 1.00 0.00 C ATOM 1868 C GLY A 124 8.769 -2.375 -23.642 1.00 0.00 C ATOM 1869 O GLY A 124 8.198 -3.318 -24.233 1.00 0.00 O ATOM 0 H GLY A 124 7.173 -3.206 -21.965 1.00 0.00 H new ATOM 0 HA2 GLY A 124 7.481 -0.677 -23.372 1.00 0.00 H new ATOM 0 HA3 GLY A 124 8.590 -0.950 -22.044 1.00 0.00 H new TER 1873 GLY A 124