USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 777 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 Single : A 1 MET CE :methyl 167:sc= -0.347 (180deg=-0.632) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -89:sc= 0.523 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 99:sc= -4.26! USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-0.11) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.997 K(o=-1,f=-0.12) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0328 USER MOD Single : A 29 ASN : amide:sc= -0.065 K(o=-0.065,f=-1!) USER MOD Single : A 30 THR OG1 : rot -83:sc= 1.19 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 68:sc= 1.3 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.439 USER MOD Single : A 43 SER OG : rot 42:sc= 0.29 USER MOD Single : A 45 GLN : amide:sc= -0.375! X(o=-0.37!,f=-0.26) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.953 USER MOD Single : A 50 LYS NZ :NH3+ -142:sc= 0.7 (180deg=-0.136) USER MOD Single : A 53 MET CE :methyl -156:sc= -0.406 (180deg=-1.19) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.51! C(o=-1.5!,f=-6.5!) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= -0.0356 (180deg=-0.321) USER MOD Single : A 66 THR OG1 : rot 58:sc= 0.828 USER MOD Single : A 68 SER OG : rot 31:sc= 0.747 USER MOD Single : A 76 SER OG : rot 68:sc= 0.644 USER MOD Single : A 82 THR OG1 : rot -86:sc= 1.69 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -2.04 K(o=-2,f=-11!) USER MOD Single : A 98 TYR OH : rot 30:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.030 4.518 5.889 1.00 0.00 N ATOM 2 CA MET A 1 -14.098 4.416 4.739 1.00 0.00 C ATOM 3 C MET A 1 -13.332 3.102 4.781 1.00 0.00 C ATOM 4 O MET A 1 -12.733 2.761 5.802 1.00 0.00 O ATOM 5 CB MET A 1 -13.099 5.580 4.744 1.00 0.00 C ATOM 6 CG MET A 1 -12.068 5.498 3.625 1.00 0.00 C ATOM 7 SD MET A 1 -12.812 5.615 1.985 1.00 0.00 S ATOM 8 CE MET A 1 -13.500 7.269 2.043 1.00 0.00 C ATOM 0 H1 MET A 1 -15.543 5.422 5.841 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.710 3.732 5.855 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.491 4.472 6.777 1.00 0.00 H new ATOM 0 HA MET A 1 -14.694 4.457 3.827 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.646 6.519 4.656 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.582 5.601 5.703 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.340 6.300 3.748 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.523 4.557 3.706 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.788 7.579 1.038 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.377 7.276 2.690 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.754 7.960 2.435 1.00 0.00 H new ATOM 20 N THR A 2 -13.333 2.372 3.677 1.00 0.00 N ATOM 21 CA THR A 2 -12.566 1.143 3.590 1.00 0.00 C ATOM 22 C THR A 2 -11.298 1.380 2.778 1.00 0.00 C ATOM 23 O THR A 2 -11.172 2.403 2.098 1.00 0.00 O ATOM 24 CB THR A 2 -13.385 -0.007 2.967 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.882 0.378 1.680 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.550 -0.391 3.867 1.00 0.00 C ATOM 0 H THR A 2 -13.854 2.609 2.833 1.00 0.00 H new ATOM 0 HA THR A 2 -12.303 0.845 4.605 1.00 0.00 H new ATOM 0 HB THR A 2 -12.727 -0.869 2.858 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.754 0.814 1.783 1.00 0.00 H new ATOM 0 HG21 THR A 2 -15.113 -1.203 3.407 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.170 -0.716 4.836 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.203 0.471 4.004 1.00 0.00 H new ATOM 34 N PHE A 3 -10.362 0.446 2.858 1.00 0.00 N ATOM 35 CA PHE A 3 -9.092 0.577 2.161 1.00 0.00 C ATOM 36 C PHE A 3 -9.315 0.576 0.654 1.00 0.00 C ATOM 37 O PHE A 3 -8.697 1.353 -0.070 1.00 0.00 O ATOM 38 CB PHE A 3 -8.145 -0.557 2.560 1.00 0.00 C ATOM 39 CG PHE A 3 -6.767 -0.434 1.967 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.864 0.489 2.468 1.00 0.00 C ATOM 41 CD2 PHE A 3 -6.375 -1.242 0.913 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.599 0.610 1.923 1.00 0.00 C ATOM 43 CE2 PHE A 3 -5.111 -1.126 0.364 1.00 0.00 C ATOM 44 CZ PHE A 3 -4.220 -0.202 0.873 1.00 0.00 C ATOM 0 H PHE A 3 -10.459 -0.413 3.400 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.635 1.525 2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -8.062 -0.583 3.647 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.580 -1.507 2.251 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -6.151 1.122 3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -7.065 -1.972 0.515 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.908 1.339 2.319 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.821 -1.758 -0.462 1.00 0.00 H new ATOM 0 HZ PHE A 3 -3.230 -0.115 0.451 1.00 0.00 H new ATOM 54 N SER A 4 -10.218 -0.285 0.200 1.00 0.00 N ATOM 55 CA SER A 4 -10.559 -0.374 -1.215 1.00 0.00 C ATOM 56 C SER A 4 -11.088 0.967 -1.730 1.00 0.00 C ATOM 57 O SER A 4 -10.652 1.461 -2.773 1.00 0.00 O ATOM 58 CB SER A 4 -11.600 -1.477 -1.432 1.00 0.00 C ATOM 59 OG SER A 4 -11.911 -1.638 -2.804 1.00 0.00 O ATOM 0 H SER A 4 -10.730 -0.936 0.796 1.00 0.00 H new ATOM 0 HA SER A 4 -9.658 -0.621 -1.776 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.223 -2.418 -1.031 1.00 0.00 H new ATOM 0 HB3 SER A 4 -12.507 -1.236 -0.879 1.00 0.00 H new ATOM 0 HG SER A 4 -12.576 -2.350 -2.907 1.00 0.00 H new ATOM 65 N GLU A 5 -12.013 1.560 -0.978 1.00 0.00 N ATOM 66 CA GLU A 5 -12.591 2.846 -1.341 1.00 0.00 C ATOM 67 C GLU A 5 -11.523 3.930 -1.389 1.00 0.00 C ATOM 68 O GLU A 5 -11.412 4.664 -2.371 1.00 0.00 O ATOM 69 CB GLU A 5 -13.661 3.243 -0.328 1.00 0.00 C ATOM 70 CG GLU A 5 -14.914 2.393 -0.375 1.00 0.00 C ATOM 71 CD GLU A 5 -15.897 2.773 0.710 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.725 2.311 1.861 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.839 3.537 0.426 1.00 0.00 O ATOM 0 H GLU A 5 -12.378 1.166 -0.111 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.037 2.746 -2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.235 3.185 0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.936 4.284 -0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.390 2.502 -1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.644 1.342 -0.268 1.00 0.00 H new ATOM 80 N CYS A 6 -10.728 4.001 -0.333 1.00 0.00 N ATOM 81 CA CYS A 6 -9.716 5.038 -0.192 1.00 0.00 C ATOM 82 C CYS A 6 -8.671 4.931 -1.289 1.00 0.00 C ATOM 83 O CYS A 6 -8.318 5.925 -1.926 1.00 0.00 O ATOM 84 CB CYS A 6 -9.046 4.915 1.170 1.00 0.00 C ATOM 85 SG CYS A 6 -7.965 6.297 1.582 1.00 0.00 S ATOM 0 H CYS A 6 -10.765 3.345 0.447 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.203 6.009 -0.277 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.817 4.829 1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.466 3.993 1.196 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.597 7.126 2.359 1.00 0.00 H new ATOM 91 N ALA A 7 -8.184 3.716 -1.497 1.00 0.00 N ATOM 92 CA ALA A 7 -7.195 3.449 -2.536 1.00 0.00 C ATOM 93 C ALA A 7 -7.710 3.887 -3.901 1.00 0.00 C ATOM 94 O ALA A 7 -6.998 4.544 -4.662 1.00 0.00 O ATOM 95 CB ALA A 7 -6.828 1.973 -2.555 1.00 0.00 C ATOM 0 H ALA A 7 -8.458 2.895 -0.958 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.299 4.027 -2.309 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.089 1.792 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.411 1.689 -1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.720 1.379 -2.754 1.00 0.00 H new ATOM 101 N ALA A 8 -8.956 3.532 -4.198 1.00 0.00 N ATOM 102 CA ALA A 8 -9.579 3.904 -5.460 1.00 0.00 C ATOM 103 C ALA A 8 -9.712 5.419 -5.581 1.00 0.00 C ATOM 104 O ALA A 8 -9.422 5.992 -6.630 1.00 0.00 O ATOM 105 CB ALA A 8 -10.942 3.240 -5.595 1.00 0.00 C ATOM 0 H ALA A 8 -9.554 2.985 -3.579 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.937 3.555 -6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.395 3.528 -6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.824 2.157 -5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.585 3.559 -4.775 1.00 0.00 H new ATOM 111 N LEU A 9 -10.138 6.065 -4.501 1.00 0.00 N ATOM 112 CA LEU A 9 -10.287 7.516 -4.489 1.00 0.00 C ATOM 113 C LEU A 9 -8.942 8.203 -4.696 1.00 0.00 C ATOM 114 O LEU A 9 -8.859 9.210 -5.395 1.00 0.00 O ATOM 115 CB LEU A 9 -10.915 7.990 -3.174 1.00 0.00 C ATOM 116 CG LEU A 9 -12.360 7.547 -2.940 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.868 8.072 -1.605 1.00 0.00 C ATOM 118 CD2 LEU A 9 -13.258 8.024 -4.073 1.00 0.00 C ATOM 0 H LEU A 9 -10.386 5.608 -3.624 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.949 7.786 -5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.303 7.628 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.877 9.079 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.384 6.458 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.898 7.748 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.244 7.684 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.827 9.161 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.282 7.699 -3.888 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.227 9.112 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.909 7.603 -5.016 1.00 0.00 H new ATOM 130 N TYR A 10 -7.900 7.652 -4.086 1.00 0.00 N ATOM 131 CA TYR A 10 -6.544 8.177 -4.233 1.00 0.00 C ATOM 132 C TYR A 10 -6.131 8.199 -5.700 1.00 0.00 C ATOM 133 O TYR A 10 -5.669 9.217 -6.221 1.00 0.00 O ATOM 134 CB TYR A 10 -5.568 7.310 -3.429 1.00 0.00 C ATOM 135 CG TYR A 10 -4.113 7.696 -3.581 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.575 8.756 -2.864 1.00 0.00 C ATOM 137 CD2 TYR A 10 -3.275 6.993 -4.437 1.00 0.00 C ATOM 138 CE1 TYR A 10 -2.245 9.107 -2.998 1.00 0.00 C ATOM 139 CE2 TYR A 10 -1.944 7.337 -4.576 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.433 8.393 -3.854 1.00 0.00 C ATOM 141 OH TYR A 10 -0.106 8.738 -3.990 1.00 0.00 O ATOM 0 H TYR A 10 -7.967 6.835 -3.479 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.521 9.199 -3.854 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.837 7.365 -2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.689 6.271 -3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.206 9.316 -2.190 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.671 6.163 -5.004 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.843 9.937 -2.435 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.307 6.780 -5.248 1.00 0.00 H new ATOM 0 HH TYR A 10 0.325 8.134 -4.631 1.00 0.00 H new ATOM 151 N ILE A 11 -6.327 7.073 -6.363 1.00 0.00 N ATOM 152 CA ILE A 11 -5.955 6.929 -7.761 1.00 0.00 C ATOM 153 C ILE A 11 -6.846 7.791 -8.654 1.00 0.00 C ATOM 154 O ILE A 11 -6.354 8.517 -9.514 1.00 0.00 O ATOM 155 CB ILE A 11 -6.038 5.451 -8.201 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.114 4.596 -7.324 1.00 0.00 C ATOM 157 CG2 ILE A 11 -5.670 5.306 -9.671 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.251 3.107 -7.559 1.00 0.00 C ATOM 0 H ILE A 11 -6.745 6.238 -5.952 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.925 7.268 -7.867 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.063 5.103 -8.076 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.081 4.889 -7.508 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.324 4.809 -6.276 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.735 4.257 -9.961 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.359 5.893 -10.278 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.652 5.664 -9.828 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.566 2.570 -6.903 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.274 2.798 -7.346 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.011 2.879 -8.598 1.00 0.00 H new ATOM 170 N LYS A 12 -8.151 7.729 -8.424 1.00 0.00 N ATOM 171 CA LYS A 12 -9.109 8.474 -9.233 1.00 0.00 C ATOM 172 C LYS A 12 -8.952 9.984 -9.060 1.00 0.00 C ATOM 173 O LYS A 12 -9.155 10.742 -10.003 1.00 0.00 O ATOM 174 CB LYS A 12 -10.541 8.041 -8.907 1.00 0.00 C ATOM 175 CG LYS A 12 -10.888 6.657 -9.441 1.00 0.00 C ATOM 176 CD LYS A 12 -12.292 6.223 -9.042 1.00 0.00 C ATOM 177 CE LYS A 12 -13.346 7.204 -9.530 1.00 0.00 C ATOM 178 NZ LYS A 12 -14.723 6.714 -9.266 1.00 0.00 N ATOM 0 H LYS A 12 -8.572 7.169 -7.682 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.901 8.243 -10.278 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.679 8.051 -7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.237 8.769 -9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.804 6.657 -10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.165 5.933 -9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.497 5.235 -9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.351 6.136 -7.957 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.202 8.166 -9.038 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.219 7.371 -10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.412 7.411 -9.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.869 5.809 -9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.853 6.579 -8.243 1.00 0.00 H new ATOM 192 N ALA A 13 -8.588 10.427 -7.865 1.00 0.00 N ATOM 193 CA ALA A 13 -8.420 11.854 -7.609 1.00 0.00 C ATOM 194 C ALA A 13 -7.149 12.389 -8.258 1.00 0.00 C ATOM 195 O ALA A 13 -7.107 13.529 -8.723 1.00 0.00 O ATOM 196 CB ALA A 13 -8.410 12.137 -6.114 1.00 0.00 C ATOM 0 H ALA A 13 -8.404 9.826 -7.062 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.270 12.370 -8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.284 13.207 -5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.353 11.810 -5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.586 11.597 -5.647 1.00 0.00 H new ATOM 202 N HIS A 14 -6.116 11.564 -8.306 1.00 0.00 N ATOM 203 CA HIS A 14 -4.830 11.997 -8.839 1.00 0.00 C ATOM 204 C HIS A 14 -4.690 11.589 -10.308 1.00 0.00 C ATOM 205 O HIS A 14 -3.684 11.887 -10.950 1.00 0.00 O ATOM 206 CB HIS A 14 -3.686 11.403 -8.004 1.00 0.00 C ATOM 207 CG HIS A 14 -2.421 12.219 -8.019 1.00 0.00 C ATOM 208 ND1 HIS A 14 -1.789 12.648 -6.869 1.00 0.00 N ATOM 209 CD2 HIS A 14 -1.661 12.670 -9.045 1.00 0.00 C ATOM 210 CE1 HIS A 14 -0.703 13.325 -7.192 1.00 0.00 C ATOM 211 NE2 HIS A 14 -0.603 13.351 -8.504 1.00 0.00 N ATOM 0 H HIS A 14 -6.140 10.596 -7.985 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.778 13.084 -8.782 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.023 11.294 -6.973 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.463 10.402 -8.374 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.854 12.520 -10.097 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.013 13.781 -6.497 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.142 13.805 -9.033 1.00 0.00 H new ATOM 220 N ARG A 15 -5.716 10.933 -10.849 1.00 0.00 N ATOM 221 CA ARG A 15 -5.656 10.421 -12.216 1.00 0.00 C ATOM 222 C ARG A 15 -5.587 11.565 -13.219 1.00 0.00 C ATOM 223 O ARG A 15 -5.086 11.397 -14.325 1.00 0.00 O ATOM 224 CB ARG A 15 -6.855 9.519 -12.527 1.00 0.00 C ATOM 225 CG ARG A 15 -8.161 10.267 -12.747 1.00 0.00 C ATOM 226 CD ARG A 15 -9.315 9.310 -13.016 1.00 0.00 C ATOM 227 NE ARG A 15 -9.047 8.411 -14.137 1.00 0.00 N ATOM 228 CZ ARG A 15 -9.908 7.489 -14.576 1.00 0.00 C ATOM 229 NH1 ARG A 15 -11.117 7.387 -14.034 1.00 0.00 N ATOM 230 NH2 ARG A 15 -9.564 6.674 -15.565 1.00 0.00 N ATOM 0 H ARG A 15 -6.594 10.745 -10.364 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.749 9.823 -12.302 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.632 8.932 -13.418 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.987 8.814 -11.706 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.387 10.873 -11.869 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.052 10.952 -13.588 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.510 8.720 -12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.218 9.884 -13.223 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.148 8.493 -14.613 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.392 8.015 -13.279 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.770 6.681 -14.373 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.641 6.751 -15.991 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.223 5.971 -15.899 1.00 0.00 H new ATOM 244 N SER A 16 -6.083 12.730 -12.816 1.00 0.00 N ATOM 245 CA SER A 16 -6.035 13.920 -13.654 1.00 0.00 C ATOM 246 C SER A 16 -4.594 14.241 -14.041 1.00 0.00 C ATOM 247 O SER A 16 -4.299 14.553 -15.194 1.00 0.00 O ATOM 248 CB SER A 16 -6.668 15.106 -12.917 1.00 0.00 C ATOM 249 OG SER A 16 -6.639 16.286 -13.707 1.00 0.00 O ATOM 0 H SER A 16 -6.525 12.874 -11.908 1.00 0.00 H new ATOM 0 HA SER A 16 -6.601 13.731 -14.566 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.699 14.866 -12.658 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.136 15.280 -11.982 1.00 0.00 H new ATOM 0 HG SER A 16 -7.051 17.023 -13.210 1.00 0.00 H new ATOM 255 N SER A 17 -3.695 14.130 -13.074 1.00 0.00 N ATOM 256 CA SER A 17 -2.293 14.421 -13.296 1.00 0.00 C ATOM 257 C SER A 17 -1.563 13.186 -13.815 1.00 0.00 C ATOM 258 O SER A 17 -0.401 13.252 -14.215 1.00 0.00 O ATOM 259 CB SER A 17 -1.674 14.891 -11.987 1.00 0.00 C ATOM 260 OG SER A 17 -2.433 15.946 -11.419 1.00 0.00 O ATOM 0 H SER A 17 -3.918 13.838 -12.122 1.00 0.00 H new ATOM 0 HA SER A 17 -2.201 15.205 -14.048 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.620 14.058 -11.286 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.652 15.227 -12.163 1.00 0.00 H new ATOM 0 HG SER A 17 -2.018 16.231 -10.578 1.00 0.00 H new ATOM 266 N TRP A 18 -2.260 12.062 -13.804 1.00 0.00 N ATOM 267 CA TRP A 18 -1.689 10.794 -14.229 1.00 0.00 C ATOM 268 C TRP A 18 -2.128 10.438 -15.641 1.00 0.00 C ATOM 269 O TRP A 18 -2.194 9.256 -15.991 1.00 0.00 O ATOM 270 CB TRP A 18 -2.099 9.672 -13.273 1.00 0.00 C ATOM 271 CG TRP A 18 -1.359 9.671 -11.968 1.00 0.00 C ATOM 272 CD1 TRP A 18 -0.355 10.516 -11.586 1.00 0.00 C ATOM 273 CD2 TRP A 18 -1.556 8.764 -10.876 1.00 0.00 C ATOM 274 NE1 TRP A 18 0.080 10.189 -10.325 1.00 0.00 N ATOM 275 CE2 TRP A 18 -0.643 9.119 -9.867 1.00 0.00 C ATOM 276 CE3 TRP A 18 -2.420 7.688 -10.654 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -0.569 8.435 -8.656 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -2.345 7.011 -9.453 1.00 0.00 C ATOM 279 CH2 TRP A 18 -1.426 7.386 -8.466 1.00 0.00 C ATOM 0 H TRP A 18 -3.232 12.002 -13.502 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.605 10.903 -14.216 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.167 9.755 -13.071 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.941 8.714 -13.767 1.00 0.00 H new ATOM 0 HD1 TRP A 18 0.038 11.322 -12.187 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.822 10.666 -9.812 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.134 7.391 -11.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.140 8.723 -7.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.007 6.177 -9.272 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -1.393 6.837 -7.537 1.00 0.00 H new ATOM 340 N LYS A 22 -1.156 4.276 -18.044 1.00 0.00 N ATOM 341 CA LYS A 22 -1.696 3.031 -17.502 1.00 0.00 C ATOM 342 C LYS A 22 -1.060 2.613 -16.178 1.00 0.00 C ATOM 343 O LYS A 22 -1.466 1.615 -15.587 1.00 0.00 O ATOM 344 CB LYS A 22 -1.553 1.912 -18.521 1.00 0.00 C ATOM 345 CG LYS A 22 -0.119 1.501 -18.806 1.00 0.00 C ATOM 346 CD LYS A 22 -0.073 0.404 -19.855 1.00 0.00 C ATOM 347 CE LYS A 22 -0.897 -0.805 -19.431 1.00 0.00 C ATOM 348 NZ LYS A 22 -1.071 -1.778 -20.541 1.00 0.00 N ATOM 0 HA LYS A 22 -2.749 3.220 -17.294 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.104 1.041 -18.166 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.020 2.225 -19.454 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.450 2.364 -19.150 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.354 1.153 -17.888 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.450 0.789 -20.803 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.961 0.101 -20.022 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.410 -1.298 -18.590 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.875 -0.473 -19.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.637 -2.585 -20.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.559 -1.316 -21.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.139 -2.115 -20.856 1.00 0.00 H new ATOM 362 N HIS A 23 -0.066 3.351 -15.714 1.00 0.00 N ATOM 363 CA HIS A 23 0.515 3.087 -14.394 1.00 0.00 C ATOM 364 C HIS A 23 -0.556 3.174 -13.302 1.00 0.00 C ATOM 365 O HIS A 23 -0.465 2.488 -12.289 1.00 0.00 O ATOM 366 CB HIS A 23 1.703 4.017 -14.085 1.00 0.00 C ATOM 367 CG HIS A 23 1.359 5.458 -13.834 1.00 0.00 C ATOM 368 ND1 HIS A 23 1.587 6.082 -12.628 1.00 0.00 N ATOM 369 CD2 HIS A 23 0.855 6.408 -14.653 1.00 0.00 C ATOM 370 CE1 HIS A 23 1.236 7.347 -12.717 1.00 0.00 C ATOM 371 NE2 HIS A 23 0.788 7.576 -13.936 1.00 0.00 N ATOM 0 H HIS A 23 0.356 4.130 -16.219 1.00 0.00 H new ATOM 0 HA HIS A 23 0.907 2.070 -14.410 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.225 3.630 -13.210 1.00 0.00 H new ATOM 0 HB3 HIS A 23 2.403 3.970 -14.919 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.559 6.273 -15.683 1.00 0.00 H new ATOM 0 HE1 HIS A 23 1.304 8.077 -11.924 1.00 0.00 H new ATOM 0 HE2 HIS A 23 0.449 8.471 -14.287 1.00 0.00 H new ATOM 380 N ALA A 24 -1.578 4.002 -13.528 1.00 0.00 N ATOM 381 CA ALA A 24 -2.703 4.110 -12.598 1.00 0.00 C ATOM 382 C ALA A 24 -3.426 2.767 -12.474 1.00 0.00 C ATOM 383 O ALA A 24 -3.879 2.383 -11.393 1.00 0.00 O ATOM 384 CB ALA A 24 -3.668 5.193 -13.062 1.00 0.00 C ATOM 0 H ALA A 24 -1.649 4.607 -14.346 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.317 4.385 -11.616 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.500 5.263 -12.362 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.148 6.150 -13.104 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.048 4.942 -14.053 1.00 0.00 H new ATOM 390 N ASP A 25 -3.509 2.048 -13.590 1.00 0.00 N ATOM 391 CA ASP A 25 -4.131 0.726 -13.613 1.00 0.00 C ATOM 392 C ASP A 25 -3.297 -0.258 -12.811 1.00 0.00 C ATOM 393 O ASP A 25 -3.824 -1.057 -12.044 1.00 0.00 O ATOM 394 CB ASP A 25 -4.273 0.220 -15.050 1.00 0.00 C ATOM 395 CG ASP A 25 -4.963 -1.131 -15.133 1.00 0.00 C ATOM 396 OD1 ASP A 25 -4.267 -2.167 -15.076 1.00 0.00 O ATOM 397 OD2 ASP A 25 -6.209 -1.159 -15.260 1.00 0.00 O ATOM 0 H ASP A 25 -3.152 2.359 -14.493 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.123 0.809 -13.168 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.838 0.948 -15.632 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.285 0.147 -15.504 1.00 0.00 H new ATOM 402 N GLN A 26 -1.984 -0.176 -12.990 1.00 0.00 N ATOM 403 CA GLN A 26 -1.046 -1.047 -12.299 1.00 0.00 C ATOM 404 C GLN A 26 -1.173 -0.919 -10.783 1.00 0.00 C ATOM 405 O GLN A 26 -1.066 -1.913 -10.061 1.00 0.00 O ATOM 406 CB GLN A 26 0.380 -0.728 -12.739 1.00 0.00 C ATOM 407 CG GLN A 26 0.662 -1.088 -14.190 1.00 0.00 C ATOM 408 CD GLN A 26 0.537 -2.578 -14.463 1.00 0.00 C ATOM 409 OE1 GLN A 26 0.168 -2.987 -15.563 1.00 0.00 O ATOM 410 NE2 GLN A 26 0.853 -3.404 -13.476 1.00 0.00 N ATOM 0 H GLN A 26 -1.542 0.496 -13.618 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.284 -2.077 -12.564 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.567 0.336 -12.594 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.079 -1.265 -12.097 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.030 -0.546 -14.835 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.667 -0.758 -14.452 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.155 -3.031 -12.576 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.794 -4.413 -13.616 1.00 0.00 H new ATOM 419 N TRP A 27 -1.399 0.302 -10.310 1.00 0.00 N ATOM 420 CA TRP A 27 -1.653 0.544 -8.891 1.00 0.00 C ATOM 421 C TRP A 27 -2.869 -0.246 -8.424 1.00 0.00 C ATOM 422 O TRP A 27 -2.800 -1.000 -7.454 1.00 0.00 O ATOM 423 CB TRP A 27 -1.898 2.033 -8.645 1.00 0.00 C ATOM 424 CG TRP A 27 -0.652 2.852 -8.524 1.00 0.00 C ATOM 425 CD1 TRP A 27 0.270 3.121 -9.497 1.00 0.00 C ATOM 426 CD2 TRP A 27 -0.205 3.530 -7.347 1.00 0.00 C ATOM 427 NE1 TRP A 27 1.264 3.922 -8.990 1.00 0.00 N ATOM 428 CE2 TRP A 27 0.996 4.183 -7.672 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.704 3.643 -6.048 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.703 4.941 -6.744 1.00 0.00 C ATOM 431 CZ3 TRP A 27 -0.002 4.395 -5.127 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.192 5.036 -5.479 1.00 0.00 C ATOM 0 H TRP A 27 -1.412 1.142 -10.888 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.777 0.220 -8.329 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.501 2.429 -9.462 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.483 2.147 -7.732 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.224 2.758 -10.513 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.071 4.267 -9.510 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.624 3.151 -5.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.624 5.437 -7.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.380 4.490 -4.120 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.720 5.617 -4.737 1.00 0.00 H new ATOM 443 N THR A 28 -3.968 -0.093 -9.147 1.00 0.00 N ATOM 444 CA THR A 28 -5.210 -0.767 -8.805 1.00 0.00 C ATOM 445 C THR A 28 -5.054 -2.276 -8.939 1.00 0.00 C ATOM 446 O THR A 28 -5.442 -3.036 -8.055 1.00 0.00 O ATOM 447 CB THR A 28 -6.355 -0.295 -9.723 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.388 1.137 -9.769 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.700 -0.815 -9.236 1.00 0.00 C ATOM 0 H THR A 28 -4.024 0.495 -9.978 1.00 0.00 H new ATOM 0 HA THR A 28 -5.451 -0.518 -7.771 1.00 0.00 H new ATOM 0 HB THR A 28 -6.170 -0.692 -10.721 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.117 1.429 -10.356 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.488 -0.466 -9.903 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.688 -1.905 -9.228 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.889 -0.447 -8.228 1.00 0.00 H new ATOM 457 N ASN A 29 -4.447 -2.686 -10.043 1.00 0.00 N ATOM 458 CA ASN A 29 -4.292 -4.092 -10.393 1.00 0.00 C ATOM 459 C ASN A 29 -3.524 -4.850 -9.312 1.00 0.00 C ATOM 460 O ASN A 29 -3.939 -5.929 -8.885 1.00 0.00 O ATOM 461 CB ASN A 29 -3.566 -4.190 -11.741 1.00 0.00 C ATOM 462 CG ASN A 29 -3.700 -5.541 -12.417 1.00 0.00 C ATOM 463 OD1 ASN A 29 -3.767 -6.582 -11.766 1.00 0.00 O ATOM 464 ND2 ASN A 29 -3.758 -5.525 -13.742 1.00 0.00 N ATOM 0 H ASN A 29 -4.044 -2.047 -10.728 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.278 -4.551 -10.472 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.955 -3.421 -12.408 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.508 -3.975 -11.589 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.862 -6.398 -14.259 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.699 -4.639 -14.244 1.00 0.00 H new ATOM 471 N THR A 30 -2.419 -4.273 -8.854 1.00 0.00 N ATOM 472 CA THR A 30 -1.579 -4.931 -7.862 1.00 0.00 C ATOM 473 C THR A 30 -2.257 -4.972 -6.495 1.00 0.00 C ATOM 474 O THR A 30 -2.310 -6.023 -5.853 1.00 0.00 O ATOM 475 CB THR A 30 -0.198 -4.248 -7.744 1.00 0.00 C ATOM 476 OG1 THR A 30 -0.354 -2.827 -7.610 1.00 0.00 O ATOM 477 CG2 THR A 30 0.666 -4.556 -8.960 1.00 0.00 C ATOM 0 H THR A 30 -2.086 -3.356 -9.152 1.00 0.00 H new ATOM 0 HA THR A 30 -1.429 -5.954 -8.206 1.00 0.00 H new ATOM 0 HB THR A 30 0.297 -4.641 -6.856 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.470 -2.426 -8.496 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.633 -4.064 -8.853 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.814 -5.633 -9.038 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.171 -4.191 -9.860 1.00 0.00 H new ATOM 485 N ILE A 31 -2.800 -3.837 -6.066 1.00 0.00 N ATOM 486 CA ILE A 31 -3.457 -3.748 -4.766 1.00 0.00 C ATOM 487 C ILE A 31 -4.694 -4.640 -4.712 1.00 0.00 C ATOM 488 O ILE A 31 -4.930 -5.324 -3.717 1.00 0.00 O ATOM 489 CB ILE A 31 -3.846 -2.290 -4.425 1.00 0.00 C ATOM 490 CG1 ILE A 31 -2.588 -1.421 -4.326 1.00 0.00 C ATOM 491 CG2 ILE A 31 -4.643 -2.231 -3.126 1.00 0.00 C ATOM 492 CD1 ILE A 31 -2.875 0.046 -4.089 1.00 0.00 C ATOM 0 H ILE A 31 -2.798 -2.967 -6.599 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.740 -4.096 -4.022 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.478 -1.903 -5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.963 -1.795 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.013 -1.525 -5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.905 -1.196 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.553 -2.822 -3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.041 -2.633 -2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.936 0.596 -4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.474 0.437 -4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.423 0.163 -3.154 1.00 0.00 H new ATOM 504 N LYS A 32 -5.462 -4.651 -5.796 1.00 0.00 N ATOM 505 CA LYS A 32 -6.671 -5.468 -5.886 1.00 0.00 C ATOM 506 C LYS A 32 -6.328 -6.942 -5.690 1.00 0.00 C ATOM 507 O LYS A 32 -7.072 -7.688 -5.052 1.00 0.00 O ATOM 508 CB LYS A 32 -7.345 -5.250 -7.253 1.00 0.00 C ATOM 509 CG LYS A 32 -8.742 -5.850 -7.392 1.00 0.00 C ATOM 510 CD LYS A 32 -8.709 -7.314 -7.812 1.00 0.00 C ATOM 511 CE LYS A 32 -8.086 -7.499 -9.190 1.00 0.00 C ATOM 512 NZ LYS A 32 -8.162 -8.913 -9.642 1.00 0.00 N ATOM 0 H LYS A 32 -5.268 -4.099 -6.632 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.363 -5.169 -5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.407 -4.178 -7.443 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.706 -5.675 -8.027 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.269 -5.760 -6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.308 -5.277 -8.126 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.144 -7.889 -7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.723 -7.713 -7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.597 -6.859 -9.909 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.044 -7.181 -9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.728 -9.000 -10.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.653 -9.521 -8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.158 -9.209 -9.691 1.00 0.00 H new ATOM 526 N THR A 33 -5.186 -7.344 -6.222 1.00 0.00 N ATOM 527 CA THR A 33 -4.785 -8.739 -6.188 1.00 0.00 C ATOM 528 C THR A 33 -4.149 -9.110 -4.846 1.00 0.00 C ATOM 529 O THR A 33 -4.562 -10.072 -4.201 1.00 0.00 O ATOM 530 CB THR A 33 -3.795 -9.044 -7.329 1.00 0.00 C ATOM 531 OG1 THR A 33 -4.331 -8.567 -8.574 1.00 0.00 O ATOM 532 CG2 THR A 33 -3.518 -10.537 -7.431 1.00 0.00 C ATOM 0 H THR A 33 -4.520 -6.723 -6.683 1.00 0.00 H new ATOM 0 HA THR A 33 -5.686 -9.339 -6.318 1.00 0.00 H new ATOM 0 HB THR A 33 -2.856 -8.536 -7.111 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.360 -7.587 -8.564 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.816 -10.722 -8.244 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.089 -10.892 -6.494 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.450 -11.067 -7.628 1.00 0.00 H new ATOM 540 N TYR A 34 -3.150 -8.344 -4.424 1.00 0.00 N ATOM 541 CA TYR A 34 -2.402 -8.671 -3.212 1.00 0.00 C ATOM 542 C TYR A 34 -3.135 -8.255 -1.934 1.00 0.00 C ATOM 543 O TYR A 34 -3.285 -9.048 -1.008 1.00 0.00 O ATOM 544 CB TYR A 34 -1.013 -8.031 -3.250 1.00 0.00 C ATOM 545 CG TYR A 34 -0.131 -8.547 -4.371 1.00 0.00 C ATOM 546 CD1 TYR A 34 0.198 -9.896 -4.459 1.00 0.00 C ATOM 547 CD2 TYR A 34 0.382 -7.686 -5.334 1.00 0.00 C ATOM 548 CE1 TYR A 34 1.006 -10.372 -5.477 1.00 0.00 C ATOM 549 CE2 TYR A 34 1.190 -8.155 -6.355 1.00 0.00 C ATOM 550 CZ TYR A 34 1.501 -9.498 -6.420 1.00 0.00 C ATOM 551 OH TYR A 34 2.307 -9.967 -7.434 1.00 0.00 O ATOM 0 H TYR A 34 -2.839 -7.496 -4.899 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.304 -9.756 -3.189 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.123 -6.952 -3.355 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.515 -8.209 -2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.184 -10.584 -3.720 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.146 -6.633 -5.285 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.247 -11.423 -5.532 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.576 -7.473 -7.098 1.00 0.00 H new ATOM 0 HH TYR A 34 2.570 -9.222 -8.014 1.00 0.00 H new ATOM 561 N CYS A 35 -3.595 -7.015 -1.888 1.00 0.00 N ATOM 562 CA CYS A 35 -4.137 -6.453 -0.654 1.00 0.00 C ATOM 563 C CYS A 35 -5.653 -6.612 -0.572 1.00 0.00 C ATOM 564 O CYS A 35 -6.221 -6.614 0.524 1.00 0.00 O ATOM 565 CB CYS A 35 -3.764 -4.974 -0.555 1.00 0.00 C ATOM 566 SG CYS A 35 -1.988 -4.657 -0.661 1.00 0.00 S ATOM 0 H CYS A 35 -3.606 -6.378 -2.685 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.703 -7.003 0.181 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.269 -4.428 -1.352 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.138 -4.578 0.389 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.769 -3.379 -0.570 1.00 0.00 H new ATOM 572 N GLY A 36 -6.291 -6.756 -1.729 1.00 0.00 N ATOM 573 CA GLY A 36 -7.743 -6.855 -1.800 1.00 0.00 C ATOM 574 C GLY A 36 -8.336 -7.893 -0.857 1.00 0.00 C ATOM 575 O GLY A 36 -9.060 -7.537 0.071 1.00 0.00 O ATOM 0 H GLY A 36 -5.822 -6.807 -2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.176 -5.881 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.031 -7.100 -2.822 1.00 0.00 H new ATOM 579 N PRO A 37 -8.034 -9.188 -1.059 1.00 0.00 N ATOM 580 CA PRO A 37 -8.611 -10.279 -0.256 1.00 0.00 C ATOM 581 C PRO A 37 -8.196 -10.247 1.216 1.00 0.00 C ATOM 582 O PRO A 37 -8.686 -11.047 2.018 1.00 0.00 O ATOM 583 CB PRO A 37 -8.067 -11.551 -0.922 1.00 0.00 C ATOM 584 CG PRO A 37 -7.596 -11.118 -2.268 1.00 0.00 C ATOM 585 CD PRO A 37 -7.133 -9.704 -2.101 1.00 0.00 C ATOM 0 HA PRO A 37 -9.699 -10.208 -0.238 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.253 -11.982 -0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.841 -12.315 -1.003 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.786 -11.756 -2.623 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.398 -11.183 -3.003 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.088 -9.654 -1.794 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.220 -9.137 -3.028 1.00 0.00 H new ATOM 593 N VAL A 38 -7.305 -9.329 1.576 1.00 0.00 N ATOM 594 CA VAL A 38 -6.795 -9.262 2.940 1.00 0.00 C ATOM 595 C VAL A 38 -7.298 -8.014 3.667 1.00 0.00 C ATOM 596 O VAL A 38 -8.064 -8.114 4.626 1.00 0.00 O ATOM 597 CB VAL A 38 -5.251 -9.281 2.976 1.00 0.00 C ATOM 598 CG1 VAL A 38 -4.748 -9.342 4.412 1.00 0.00 C ATOM 599 CG2 VAL A 38 -4.705 -10.452 2.168 1.00 0.00 C ATOM 0 H VAL A 38 -6.923 -8.624 0.945 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.170 -10.148 3.451 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.890 -8.357 2.524 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.658 -9.355 4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.103 -8.468 4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.123 -10.247 4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.616 -10.445 2.208 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.077 -11.387 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.031 -10.362 1.132 1.00 0.00 H new ATOM 609 N ILE A 39 -6.877 -6.841 3.203 1.00 0.00 N ATOM 610 CA ILE A 39 -7.182 -5.593 3.895 1.00 0.00 C ATOM 611 C ILE A 39 -8.086 -4.687 3.067 1.00 0.00 C ATOM 612 O ILE A 39 -8.390 -3.572 3.479 1.00 0.00 O ATOM 613 CB ILE A 39 -5.899 -4.814 4.261 1.00 0.00 C ATOM 614 CG1 ILE A 39 -5.065 -4.527 3.011 1.00 0.00 C ATOM 615 CG2 ILE A 39 -5.085 -5.588 5.288 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.804 -3.734 3.286 1.00 0.00 C ATOM 0 H ILE A 39 -6.325 -6.729 2.353 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.704 -5.878 4.808 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.188 -3.859 4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.793 -5.473 2.542 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.678 -3.980 2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.184 -5.027 5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.681 -5.735 6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.806 -6.558 4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.266 -3.570 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.068 -2.772 3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.169 -4.288 3.978 1.00 0.00 H new ATOM 628 N GLY A 40 -8.514 -5.179 1.907 1.00 0.00 N ATOM 629 CA GLY A 40 -9.365 -4.401 1.016 1.00 0.00 C ATOM 630 C GLY A 40 -10.638 -3.880 1.676 1.00 0.00 C ATOM 631 O GLY A 40 -10.829 -2.666 1.783 1.00 0.00 O ATOM 0 H GLY A 40 -8.285 -6.112 1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.795 -3.556 0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.638 -5.018 0.160 1.00 0.00 H new ATOM 635 N PRO A 41 -11.540 -4.777 2.111 1.00 0.00 N ATOM 636 CA PRO A 41 -12.814 -4.385 2.725 1.00 0.00 C ATOM 637 C PRO A 41 -12.670 -3.906 4.171 1.00 0.00 C ATOM 638 O PRO A 41 -13.670 -3.618 4.837 1.00 0.00 O ATOM 639 CB PRO A 41 -13.634 -5.672 2.671 1.00 0.00 C ATOM 640 CG PRO A 41 -12.621 -6.761 2.732 1.00 0.00 C ATOM 641 CD PRO A 41 -11.403 -6.244 2.022 1.00 0.00 C ATOM 0 HA PRO A 41 -13.265 -3.540 2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.333 -5.733 3.505 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.224 -5.729 1.756 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.389 -7.018 3.765 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.994 -7.667 2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.485 -6.590 2.498 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.371 -6.581 0.986 1.00 0.00 H new ATOM 649 N LEU A 42 -11.440 -3.825 4.657 1.00 0.00 N ATOM 650 CA LEU A 42 -11.189 -3.313 5.997 1.00 0.00 C ATOM 651 C LEU A 42 -11.174 -1.793 5.961 1.00 0.00 C ATOM 652 O LEU A 42 -11.071 -1.203 4.887 1.00 0.00 O ATOM 653 CB LEU A 42 -9.856 -3.837 6.541 1.00 0.00 C ATOM 654 CG LEU A 42 -9.751 -5.358 6.675 1.00 0.00 C ATOM 655 CD1 LEU A 42 -8.391 -5.748 7.226 1.00 0.00 C ATOM 656 CD2 LEU A 42 -10.854 -5.899 7.569 1.00 0.00 C ATOM 0 H LEU A 42 -10.603 -4.106 4.146 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.984 -3.657 6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.056 -3.491 5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.683 -3.391 7.520 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.867 -5.795 5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.332 -6.833 7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.611 -5.397 6.551 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.253 -5.295 8.208 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.759 -6.982 7.649 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.771 -5.453 8.560 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.825 -5.651 7.140 1.00 0.00 H new ATOM 668 N SER A 43 -11.291 -1.155 7.119 1.00 0.00 N ATOM 669 CA SER A 43 -11.233 0.298 7.178 1.00 0.00 C ATOM 670 C SER A 43 -9.819 0.776 6.889 1.00 0.00 C ATOM 671 O SER A 43 -8.847 0.081 7.185 1.00 0.00 O ATOM 672 CB SER A 43 -11.682 0.815 8.547 1.00 0.00 C ATOM 673 OG SER A 43 -11.636 2.233 8.602 1.00 0.00 O ATOM 0 H SER A 43 -11.425 -1.615 8.019 1.00 0.00 H new ATOM 0 HA SER A 43 -11.913 0.692 6.422 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.696 0.473 8.753 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.042 0.398 9.324 1.00 0.00 H new ATOM 0 HG SER A 43 -11.977 2.604 7.762 1.00 0.00 H new ATOM 679 N VAL A 44 -9.711 1.970 6.330 1.00 0.00 N ATOM 680 CA VAL A 44 -8.419 2.545 5.994 1.00 0.00 C ATOM 681 C VAL A 44 -7.614 2.845 7.267 1.00 0.00 C ATOM 682 O VAL A 44 -6.395 3.007 7.227 1.00 0.00 O ATOM 683 CB VAL A 44 -8.587 3.826 5.143 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.249 4.938 5.943 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.252 4.281 4.571 1.00 0.00 C ATOM 0 H VAL A 44 -10.508 2.563 6.098 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.869 1.815 5.401 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.244 3.585 4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.353 5.824 5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.234 4.611 6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.635 5.177 6.811 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.399 5.183 3.977 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.560 4.492 5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.840 3.494 3.939 1.00 0.00 H new ATOM 695 N GLN A 45 -8.298 2.921 8.402 1.00 0.00 N ATOM 696 CA GLN A 45 -7.621 3.113 9.665 1.00 0.00 C ATOM 697 C GLN A 45 -7.554 1.818 10.467 1.00 0.00 C ATOM 698 O GLN A 45 -6.869 1.751 11.487 1.00 0.00 O ATOM 699 CB GLN A 45 -8.297 4.204 10.478 1.00 0.00 C ATOM 700 CG GLN A 45 -9.810 4.093 10.564 1.00 0.00 C ATOM 701 CD GLN A 45 -10.406 5.153 11.471 1.00 0.00 C ATOM 702 OE1 GLN A 45 -11.513 5.638 11.238 1.00 0.00 O ATOM 703 NE2 GLN A 45 -9.681 5.502 12.523 1.00 0.00 N ATOM 0 H GLN A 45 -9.314 2.852 8.468 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.600 3.423 9.445 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.888 4.190 11.488 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.042 5.171 10.044 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.238 4.187 9.566 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.081 3.104 10.935 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.768 5.074 12.678 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.036 6.198 13.178 1.00 0.00 H new ATOM 712 N ASP A 46 -8.264 0.792 10.011 1.00 0.00 N ATOM 713 CA ASP A 46 -8.197 -0.516 10.648 1.00 0.00 C ATOM 714 C ASP A 46 -7.150 -1.390 9.981 1.00 0.00 C ATOM 715 O ASP A 46 -7.012 -2.566 10.305 1.00 0.00 O ATOM 716 CB ASP A 46 -9.551 -1.220 10.627 1.00 0.00 C ATOM 717 CG ASP A 46 -10.459 -0.746 11.741 1.00 0.00 C ATOM 718 OD1 ASP A 46 -10.267 -1.177 12.897 1.00 0.00 O ATOM 719 OD2 ASP A 46 -11.363 0.069 11.475 1.00 0.00 O ATOM 0 H ASP A 46 -8.889 0.841 9.207 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.913 -0.354 11.688 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.035 -1.044 9.666 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.401 -2.296 10.716 1.00 0.00 H new ATOM 724 N VAL A 47 -6.426 -0.814 9.035 1.00 0.00 N ATOM 725 CA VAL A 47 -5.279 -1.486 8.456 1.00 0.00 C ATOM 726 C VAL A 47 -4.147 -1.489 9.470 1.00 0.00 C ATOM 727 O VAL A 47 -3.514 -0.461 9.716 1.00 0.00 O ATOM 728 CB VAL A 47 -4.807 -0.805 7.153 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.609 -1.535 6.563 1.00 0.00 C ATOM 730 CG2 VAL A 47 -5.932 -0.753 6.136 1.00 0.00 C ATOM 0 H VAL A 47 -6.613 0.114 8.654 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.572 -2.505 8.204 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.508 0.214 7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.295 -1.037 5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.788 -1.526 7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.885 -2.566 6.340 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.578 -0.269 5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.260 -1.766 5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.768 -0.186 6.546 1.00 0.00 H new ATOM 740 N ASP A 48 -3.917 -2.636 10.086 1.00 0.00 N ATOM 741 CA ASP A 48 -2.924 -2.738 11.142 1.00 0.00 C ATOM 742 C ASP A 48 -1.557 -3.063 10.588 1.00 0.00 C ATOM 743 O ASP A 48 -1.414 -3.500 9.446 1.00 0.00 O ATOM 744 CB ASP A 48 -3.302 -3.794 12.179 1.00 0.00 C ATOM 745 CG ASP A 48 -4.470 -3.378 13.048 1.00 0.00 C ATOM 746 OD1 ASP A 48 -4.422 -2.266 13.620 1.00 0.00 O ATOM 747 OD2 ASP A 48 -5.425 -4.173 13.187 1.00 0.00 O ATOM 0 H ASP A 48 -4.403 -3.508 9.874 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.894 -1.762 11.626 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.550 -4.725 11.668 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.439 -3.998 12.813 1.00 0.00 H new ATOM 752 N THR A 49 -0.566 -2.874 11.431 1.00 0.00 N ATOM 753 CA THR A 49 0.813 -3.134 11.087 1.00 0.00 C ATOM 754 C THR A 49 1.021 -4.634 10.878 1.00 0.00 C ATOM 755 O THR A 49 1.686 -5.061 9.934 1.00 0.00 O ATOM 756 CB THR A 49 1.732 -2.611 12.207 1.00 0.00 C ATOM 757 OG1 THR A 49 1.386 -1.254 12.522 1.00 0.00 O ATOM 758 CG2 THR A 49 3.190 -2.675 11.801 1.00 0.00 C ATOM 0 H THR A 49 -0.697 -2.532 12.383 1.00 0.00 H new ATOM 0 HA THR A 49 1.061 -2.617 10.160 1.00 0.00 H new ATOM 0 HB THR A 49 1.591 -3.246 13.081 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.971 -0.925 13.236 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.811 -2.299 12.614 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.462 -3.708 11.585 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.347 -2.064 10.912 1.00 0.00 H new ATOM 766 N LYS A 50 0.408 -5.431 11.749 1.00 0.00 N ATOM 767 CA LYS A 50 0.501 -6.882 11.662 1.00 0.00 C ATOM 768 C LYS A 50 -0.263 -7.393 10.442 1.00 0.00 C ATOM 769 O LYS A 50 0.132 -8.374 9.818 1.00 0.00 O ATOM 770 CB LYS A 50 -0.047 -7.523 12.943 1.00 0.00 C ATOM 771 CG LYS A 50 0.775 -8.699 13.454 1.00 0.00 C ATOM 772 CD LYS A 50 0.809 -9.848 12.462 1.00 0.00 C ATOM 773 CE LYS A 50 1.664 -10.999 12.967 1.00 0.00 C ATOM 774 NZ LYS A 50 3.074 -10.590 13.210 1.00 0.00 N ATOM 0 H LYS A 50 -0.160 -5.093 12.526 1.00 0.00 H new ATOM 0 HA LYS A 50 1.549 -7.159 11.552 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.098 -6.763 13.723 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.067 -7.860 12.760 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.793 -8.367 13.658 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.358 -9.049 14.398 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.206 -10.201 12.279 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.201 -9.494 11.508 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.236 -11.388 13.891 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.643 -11.811 12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.713 -11.359 12.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.289 -9.737 12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.207 -10.388 14.221 1.00 0.00 H new ATOM 788 N LEU A 51 -1.346 -6.709 10.089 1.00 0.00 N ATOM 789 CA LEU A 51 -2.156 -7.103 8.947 1.00 0.00 C ATOM 790 C LEU A 51 -1.378 -6.948 7.642 1.00 0.00 C ATOM 791 O LEU A 51 -1.490 -7.778 6.741 1.00 0.00 O ATOM 792 CB LEU A 51 -3.449 -6.290 8.900 1.00 0.00 C ATOM 793 CG LEU A 51 -4.473 -6.632 9.986 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.748 -5.825 9.799 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.781 -8.123 9.985 1.00 0.00 C ATOM 0 H LEU A 51 -1.681 -5.879 10.579 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.412 -8.156 9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.198 -5.232 8.980 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.915 -6.434 7.925 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.041 -6.371 10.952 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.461 -6.084 10.582 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.517 -4.761 9.857 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.181 -6.050 8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.511 -8.344 10.764 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.187 -8.410 9.015 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.866 -8.684 10.175 1.00 0.00 H new ATOM 807 N ILE A 52 -0.587 -5.887 7.544 1.00 0.00 N ATOM 808 CA ILE A 52 0.254 -5.676 6.369 1.00 0.00 C ATOM 809 C ILE A 52 1.363 -6.729 6.313 1.00 0.00 C ATOM 810 O ILE A 52 1.762 -7.172 5.234 1.00 0.00 O ATOM 811 CB ILE A 52 0.872 -4.260 6.345 1.00 0.00 C ATOM 812 CG1 ILE A 52 -0.216 -3.205 6.553 1.00 0.00 C ATOM 813 CG2 ILE A 52 1.589 -4.020 5.019 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.317 -1.790 6.658 1.00 0.00 C ATOM 0 H ILE A 52 -0.509 -5.163 8.258 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.386 -5.774 5.492 1.00 0.00 H new ATOM 0 HB ILE A 52 1.597 -4.181 7.155 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.922 -3.257 5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.771 -3.443 7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.020 -3.019 5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.382 -4.757 4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.877 -4.112 4.199 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.513 -1.099 6.804 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.001 -1.721 7.504 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.847 -1.532 5.741 1.00 0.00 H new ATOM 826 N MET A 53 1.851 -7.133 7.489 1.00 0.00 N ATOM 827 CA MET A 53 2.845 -8.206 7.590 1.00 0.00 C ATOM 828 C MET A 53 2.341 -9.474 6.910 1.00 0.00 C ATOM 829 O MET A 53 3.089 -10.146 6.198 1.00 0.00 O ATOM 830 CB MET A 53 3.169 -8.529 9.053 1.00 0.00 C ATOM 831 CG MET A 53 3.861 -7.414 9.816 1.00 0.00 C ATOM 832 SD MET A 53 4.164 -7.854 11.540 1.00 0.00 S ATOM 833 CE MET A 53 5.012 -6.392 12.129 1.00 0.00 C ATOM 0 H MET A 53 1.574 -6.733 8.385 1.00 0.00 H new ATOM 0 HA MET A 53 3.748 -7.854 7.092 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.242 -8.781 9.568 1.00 0.00 H new ATOM 0 HB3 MET A 53 3.801 -9.416 9.082 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.808 -7.178 9.331 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.248 -6.513 9.775 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.623 -6.650 12.994 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.650 -5.998 11.338 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.280 -5.637 12.414 1.00 0.00 H new ATOM 843 N LYS A 54 1.061 -9.777 7.125 1.00 0.00 N ATOM 844 CA LYS A 54 0.427 -10.962 6.551 1.00 0.00 C ATOM 845 C LYS A 54 0.565 -10.978 5.034 1.00 0.00 C ATOM 846 O LYS A 54 0.760 -12.033 4.433 1.00 0.00 O ATOM 847 CB LYS A 54 -1.058 -10.990 6.913 1.00 0.00 C ATOM 848 CG LYS A 54 -1.337 -11.212 8.390 1.00 0.00 C ATOM 849 CD LYS A 54 -2.786 -10.894 8.731 1.00 0.00 C ATOM 850 CE LYS A 54 -3.766 -11.696 7.884 1.00 0.00 C ATOM 851 NZ LYS A 54 -3.756 -13.143 8.223 1.00 0.00 N ATOM 0 H LYS A 54 0.437 -9.210 7.700 1.00 0.00 H new ATOM 0 HA LYS A 54 0.928 -11.839 6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.512 -10.048 6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.545 -11.780 6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.118 -12.247 8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.674 -10.585 8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.964 -11.104 9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.967 -9.829 8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.772 -11.300 8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.518 -11.571 6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.439 -13.645 7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.804 -13.530 8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.019 -13.267 9.222 1.00 0.00 H new ATOM 865 N VAL A 55 0.452 -9.804 4.431 1.00 0.00 N ATOM 866 CA VAL A 55 0.525 -9.679 2.986 1.00 0.00 C ATOM 867 C VAL A 55 1.972 -9.749 2.507 1.00 0.00 C ATOM 868 O VAL A 55 2.297 -10.500 1.591 1.00 0.00 O ATOM 869 CB VAL A 55 -0.103 -8.350 2.501 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.133 -8.281 0.980 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.500 -8.170 3.075 1.00 0.00 C ATOM 0 H VAL A 55 0.309 -8.922 4.923 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.039 -10.511 2.565 1.00 0.00 H new ATOM 0 HB VAL A 55 0.522 -7.534 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.579 -7.337 0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.884 -8.348 0.593 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.725 -9.109 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.921 -7.229 2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.135 -8.996 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.447 -8.156 4.164 1.00 0.00 H new ATOM 881 N LEU A 56 2.840 -8.981 3.153 1.00 0.00 N ATOM 882 CA LEU A 56 4.208 -8.804 2.679 1.00 0.00 C ATOM 883 C LEU A 56 5.077 -10.043 2.887 1.00 0.00 C ATOM 884 O LEU A 56 5.911 -10.359 2.039 1.00 0.00 O ATOM 885 CB LEU A 56 4.856 -7.600 3.362 1.00 0.00 C ATOM 886 CG LEU A 56 4.243 -6.242 3.009 1.00 0.00 C ATOM 887 CD1 LEU A 56 5.042 -5.115 3.642 1.00 0.00 C ATOM 888 CD2 LEU A 56 4.175 -6.063 1.500 1.00 0.00 C ATOM 0 H LEU A 56 2.621 -8.470 4.008 1.00 0.00 H new ATOM 0 HA LEU A 56 4.143 -8.633 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.795 -7.739 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.914 -7.581 3.102 1.00 0.00 H new ATOM 0 HG LEU A 56 3.228 -6.210 3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.591 -4.158 3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.041 -5.232 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.068 -5.146 3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.737 -5.092 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.180 -6.117 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.559 -6.852 1.067 1.00 0.00 H new ATOM 900 N ASP A 57 4.877 -10.743 4.002 1.00 0.00 N ATOM 901 CA ASP A 57 5.744 -11.871 4.378 1.00 0.00 C ATOM 902 C ASP A 57 5.908 -12.889 3.244 1.00 0.00 C ATOM 903 O ASP A 57 7.035 -13.200 2.853 1.00 0.00 O ATOM 904 CB ASP A 57 5.219 -12.589 5.620 1.00 0.00 C ATOM 905 CG ASP A 57 6.246 -13.549 6.192 1.00 0.00 C ATOM 906 OD1 ASP A 57 7.164 -13.095 6.911 1.00 0.00 O ATOM 907 OD2 ASP A 57 6.153 -14.760 5.905 1.00 0.00 O ATOM 0 H ASP A 57 4.124 -10.554 4.664 1.00 0.00 H new ATOM 0 HA ASP A 57 6.720 -11.436 4.594 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.947 -11.854 6.377 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.311 -13.136 5.367 1.00 0.00 H new ATOM 912 N PRO A 58 4.799 -13.432 2.696 1.00 0.00 N ATOM 913 CA PRO A 58 4.866 -14.420 1.615 1.00 0.00 C ATOM 914 C PRO A 58 5.375 -13.816 0.304 1.00 0.00 C ATOM 915 O PRO A 58 5.911 -14.522 -0.550 1.00 0.00 O ATOM 916 CB PRO A 58 3.417 -14.899 1.468 1.00 0.00 C ATOM 917 CG PRO A 58 2.581 -13.801 2.029 1.00 0.00 C ATOM 918 CD PRO A 58 3.408 -13.143 3.097 1.00 0.00 C ATOM 0 HA PRO A 58 5.566 -15.224 1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.169 -15.088 0.423 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.255 -15.832 2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.308 -13.086 1.253 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.652 -14.193 2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.220 -12.070 3.144 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.184 -13.549 4.083 1.00 0.00 H new ATOM 926 N ILE A 59 5.227 -12.502 0.158 1.00 0.00 N ATOM 927 CA ILE A 59 5.660 -11.827 -1.056 1.00 0.00 C ATOM 928 C ILE A 59 7.185 -11.723 -1.099 1.00 0.00 C ATOM 929 O ILE A 59 7.773 -11.677 -2.172 1.00 0.00 O ATOM 930 CB ILE A 59 5.029 -10.419 -1.201 1.00 0.00 C ATOM 931 CG1 ILE A 59 3.503 -10.516 -1.186 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.496 -9.747 -2.490 1.00 0.00 C ATOM 933 CD1 ILE A 59 2.805 -9.179 -1.339 1.00 0.00 C ATOM 0 H ILE A 59 4.813 -11.890 0.861 1.00 0.00 H new ATOM 0 HA ILE A 59 5.315 -12.431 -1.896 1.00 0.00 H new ATOM 0 HB ILE A 59 5.354 -9.812 -0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.182 -11.177 -1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.186 -10.976 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.041 -8.760 -2.571 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.581 -9.646 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.200 -10.355 -3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.725 -9.328 -1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.096 -8.521 -0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.091 -8.726 -2.288 1.00 0.00 H new ATOM 945 N TRP A 60 7.827 -11.728 0.067 1.00 0.00 N ATOM 946 CA TRP A 60 9.290 -11.676 0.138 1.00 0.00 C ATOM 947 C TRP A 60 9.925 -12.872 -0.568 1.00 0.00 C ATOM 948 O TRP A 60 11.064 -12.799 -1.027 1.00 0.00 O ATOM 949 CB TRP A 60 9.777 -11.635 1.588 1.00 0.00 C ATOM 950 CG TRP A 60 9.474 -10.352 2.298 1.00 0.00 C ATOM 951 CD1 TRP A 60 8.629 -10.186 3.354 1.00 0.00 C ATOM 952 CD2 TRP A 60 10.020 -9.059 2.010 1.00 0.00 C ATOM 953 NE1 TRP A 60 8.612 -8.872 3.742 1.00 0.00 N ATOM 954 CE2 TRP A 60 9.455 -8.157 2.931 1.00 0.00 C ATOM 955 CE3 TRP A 60 10.928 -8.575 1.063 1.00 0.00 C ATOM 956 CZ2 TRP A 60 9.769 -6.801 2.932 1.00 0.00 C ATOM 957 CZ3 TRP A 60 11.239 -7.228 1.066 1.00 0.00 C ATOM 958 CH2 TRP A 60 10.661 -6.355 1.995 1.00 0.00 C ATOM 0 H TRP A 60 7.362 -11.767 0.974 1.00 0.00 H new ATOM 0 HA TRP A 60 9.596 -10.760 -0.367 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.320 -12.458 2.137 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.854 -11.801 1.603 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.056 -10.975 3.818 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.061 -8.488 4.510 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.378 -9.242 0.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.324 -6.125 3.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 11.939 -6.843 0.340 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.924 -5.308 1.972 1.00 0.00 H new ATOM 969 N GLU A 61 9.190 -13.970 -0.636 1.00 0.00 N ATOM 970 CA GLU A 61 9.661 -15.163 -1.294 1.00 0.00 C ATOM 971 C GLU A 61 9.456 -15.066 -2.802 1.00 0.00 C ATOM 972 O GLU A 61 10.241 -15.602 -3.583 1.00 0.00 O ATOM 973 CB GLU A 61 8.907 -16.363 -0.739 1.00 0.00 C ATOM 974 CG GLU A 61 9.182 -16.635 0.732 1.00 0.00 C ATOM 975 CD GLU A 61 10.652 -16.856 1.019 1.00 0.00 C ATOM 976 OE1 GLU A 61 11.282 -17.675 0.317 1.00 0.00 O ATOM 977 OE2 GLU A 61 11.180 -16.225 1.959 1.00 0.00 O ATOM 0 H GLU A 61 8.255 -14.053 -0.236 1.00 0.00 H new ATOM 0 HA GLU A 61 10.729 -15.278 -1.107 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.837 -16.203 -0.875 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.173 -17.247 -1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.822 -15.795 1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.618 -17.513 1.047 1.00 0.00 H new ATOM 984 N GLN A 62 8.405 -14.365 -3.201 1.00 0.00 N ATOM 985 CA GLN A 62 8.050 -14.249 -4.604 1.00 0.00 C ATOM 986 C GLN A 62 8.715 -13.039 -5.248 1.00 0.00 C ATOM 987 O GLN A 62 9.464 -13.171 -6.216 1.00 0.00 O ATOM 988 CB GLN A 62 6.533 -14.141 -4.752 1.00 0.00 C ATOM 989 CG GLN A 62 5.782 -15.395 -4.335 1.00 0.00 C ATOM 990 CD GLN A 62 6.047 -16.578 -5.250 1.00 0.00 C ATOM 991 OE1 GLN A 62 7.127 -16.709 -5.828 1.00 0.00 O ATOM 992 NE2 GLN A 62 5.059 -17.443 -5.391 1.00 0.00 N ATOM 0 H GLN A 62 7.781 -13.866 -2.567 1.00 0.00 H new ATOM 0 HA GLN A 62 8.406 -15.144 -5.114 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.178 -13.301 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.294 -13.915 -5.791 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.066 -15.660 -3.316 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.713 -15.184 -4.323 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.180 -17.298 -4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.175 -18.256 -5.996 1.00 0.00 H new ATOM 1001 N LYS A 63 8.438 -11.865 -4.699 1.00 0.00 N ATOM 1002 CA LYS A 63 8.917 -10.610 -5.260 1.00 0.00 C ATOM 1003 C LYS A 63 9.346 -9.651 -4.154 1.00 0.00 C ATOM 1004 O LYS A 63 8.553 -8.822 -3.706 1.00 0.00 O ATOM 1005 CB LYS A 63 7.822 -9.945 -6.098 1.00 0.00 C ATOM 1006 CG LYS A 63 7.396 -10.736 -7.322 1.00 0.00 C ATOM 1007 CD LYS A 63 6.232 -10.062 -8.030 1.00 0.00 C ATOM 1008 CE LYS A 63 5.879 -10.758 -9.333 1.00 0.00 C ATOM 1009 NZ LYS A 63 7.008 -10.727 -10.300 1.00 0.00 N ATOM 0 H LYS A 63 7.876 -11.756 -3.855 1.00 0.00 H new ATOM 0 HA LYS A 63 9.775 -10.836 -5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.949 -9.780 -5.466 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.173 -8.964 -6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.237 -10.831 -8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.110 -11.745 -7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.362 -10.058 -7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.484 -9.021 -8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.604 -11.793 -9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.007 -10.278 -9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.657 -10.959 -11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.431 -9.777 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.727 -11.423 -10.017 1.00 0.00 H new ATOM 1023 N PRO A 64 10.593 -9.764 -3.676 1.00 0.00 N ATOM 1024 CA PRO A 64 11.113 -8.883 -2.625 1.00 0.00 C ATOM 1025 C PRO A 64 11.071 -7.413 -3.028 1.00 0.00 C ATOM 1026 O PRO A 64 10.792 -6.534 -2.204 1.00 0.00 O ATOM 1027 CB PRO A 64 12.562 -9.344 -2.444 1.00 0.00 C ATOM 1028 CG PRO A 64 12.610 -10.724 -3.006 1.00 0.00 C ATOM 1029 CD PRO A 64 11.584 -10.768 -4.101 1.00 0.00 C ATOM 0 HA PRO A 64 10.518 -8.949 -1.714 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.253 -8.683 -2.966 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.848 -9.338 -1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.603 -10.952 -3.394 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.390 -11.465 -2.237 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.018 -10.520 -5.070 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.139 -11.758 -4.196 1.00 0.00 H new ATOM 1037 N GLU A 65 11.345 -7.154 -4.298 1.00 0.00 N ATOM 1038 CA GLU A 65 11.302 -5.802 -4.834 1.00 0.00 C ATOM 1039 C GLU A 65 9.894 -5.243 -4.743 1.00 0.00 C ATOM 1040 O GLU A 65 9.680 -4.120 -4.301 1.00 0.00 O ATOM 1041 CB GLU A 65 11.752 -5.772 -6.302 1.00 0.00 C ATOM 1042 CG GLU A 65 12.212 -7.104 -6.881 1.00 0.00 C ATOM 1043 CD GLU A 65 11.099 -8.124 -7.031 1.00 0.00 C ATOM 1044 OE1 GLU A 65 9.945 -7.732 -7.308 1.00 0.00 O ATOM 1045 OE2 GLU A 65 11.382 -9.328 -6.867 1.00 0.00 O ATOM 0 H GLU A 65 11.601 -7.868 -4.980 1.00 0.00 H new ATOM 0 HA GLU A 65 11.983 -5.193 -4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.926 -5.399 -6.908 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.567 -5.055 -6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.665 -6.928 -7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.989 -7.520 -6.239 1.00 0.00 H new ATOM 1052 N THR A 66 8.941 -6.053 -5.147 1.00 0.00 N ATOM 1053 CA THR A 66 7.551 -5.640 -5.180 1.00 0.00 C ATOM 1054 C THR A 66 6.981 -5.516 -3.767 1.00 0.00 C ATOM 1055 O THR A 66 6.172 -4.631 -3.493 1.00 0.00 O ATOM 1056 CB THR A 66 6.714 -6.622 -6.020 1.00 0.00 C ATOM 1057 OG1 THR A 66 7.297 -6.747 -7.328 1.00 0.00 O ATOM 1058 CG2 THR A 66 5.273 -6.151 -6.152 1.00 0.00 C ATOM 0 H THR A 66 9.103 -7.010 -5.460 1.00 0.00 H new ATOM 0 HA THR A 66 7.502 -4.657 -5.649 1.00 0.00 H new ATOM 0 HB THR A 66 6.711 -7.587 -5.514 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.227 -7.045 -7.245 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.710 -6.867 -6.751 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.824 -6.073 -5.162 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.252 -5.176 -6.638 1.00 0.00 H new ATOM 1066 N ALA A 67 7.436 -6.381 -2.869 1.00 0.00 N ATOM 1067 CA ALA A 67 7.007 -6.339 -1.474 1.00 0.00 C ATOM 1068 C ALA A 67 7.378 -5.006 -0.830 1.00 0.00 C ATOM 1069 O ALA A 67 6.568 -4.390 -0.137 1.00 0.00 O ATOM 1070 CB ALA A 67 7.626 -7.489 -0.693 1.00 0.00 C ATOM 0 H ALA A 67 8.104 -7.122 -3.081 1.00 0.00 H new ATOM 0 HA ALA A 67 5.922 -6.441 -1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.296 -7.443 0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.313 -8.437 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.713 -7.412 -0.732 1.00 0.00 H new ATOM 1076 N SER A 68 8.600 -4.559 -1.074 1.00 0.00 N ATOM 1077 CA SER A 68 9.073 -3.303 -0.515 1.00 0.00 C ATOM 1078 C SER A 68 8.393 -2.110 -1.188 1.00 0.00 C ATOM 1079 O SER A 68 8.107 -1.102 -0.541 1.00 0.00 O ATOM 1080 CB SER A 68 10.598 -3.217 -0.637 1.00 0.00 C ATOM 1081 OG SER A 68 11.049 -3.781 -1.859 1.00 0.00 O ATOM 0 H SER A 68 9.282 -5.047 -1.655 1.00 0.00 H new ATOM 0 HA SER A 68 8.810 -3.271 0.542 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.912 -2.175 -0.577 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.062 -3.738 0.200 1.00 0.00 H new ATOM 0 HG SER A 68 10.367 -3.651 -2.551 1.00 0.00 H new ATOM 1087 N ARG A 69 8.116 -2.235 -2.481 1.00 0.00 N ATOM 1088 CA ARG A 69 7.454 -1.178 -3.226 1.00 0.00 C ATOM 1089 C ARG A 69 5.982 -1.066 -2.834 1.00 0.00 C ATOM 1090 O ARG A 69 5.421 0.031 -2.793 1.00 0.00 O ATOM 1091 CB ARG A 69 7.584 -1.430 -4.725 1.00 0.00 C ATOM 1092 CG ARG A 69 9.011 -1.356 -5.232 1.00 0.00 C ATOM 1093 CD ARG A 69 9.060 -1.295 -6.748 1.00 0.00 C ATOM 1094 NE ARG A 69 8.648 0.017 -7.255 1.00 0.00 N ATOM 1095 CZ ARG A 69 7.830 0.198 -8.290 1.00 0.00 C ATOM 1096 NH1 ARG A 69 7.275 -0.849 -8.895 1.00 0.00 N ATOM 1097 NH2 ARG A 69 7.557 1.426 -8.715 1.00 0.00 N ATOM 0 H ARG A 69 8.342 -3.062 -3.034 1.00 0.00 H new ATOM 0 HA ARG A 69 7.941 -0.234 -2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.176 -2.414 -4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.978 -0.700 -5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.501 -0.476 -4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.568 -2.226 -4.884 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.072 -1.514 -7.088 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.410 -2.065 -7.164 1.00 0.00 H new ATOM 0 HE ARG A 69 9.012 0.846 -6.784 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.476 -1.793 -8.566 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.649 -0.707 -9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.974 2.232 -8.249 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.930 1.564 -9.508 1.00 0.00 H new ATOM 1111 N LEU A 70 5.364 -2.205 -2.540 1.00 0.00 N ATOM 1112 CA LEU A 70 3.969 -2.233 -2.115 1.00 0.00 C ATOM 1113 C LEU A 70 3.800 -1.452 -0.814 1.00 0.00 C ATOM 1114 O LEU A 70 2.830 -0.712 -0.641 1.00 0.00 O ATOM 1115 CB LEU A 70 3.497 -3.678 -1.929 1.00 0.00 C ATOM 1116 CG LEU A 70 2.013 -3.846 -1.587 1.00 0.00 C ATOM 1117 CD1 LEU A 70 1.141 -3.331 -2.722 1.00 0.00 C ATOM 1118 CD2 LEU A 70 1.696 -5.303 -1.290 1.00 0.00 C ATOM 0 H LEU A 70 5.808 -3.122 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 70 3.360 -1.765 -2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.706 -4.231 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.089 -4.137 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 70 1.798 -3.258 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.091 -3.459 -2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.347 -2.274 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.359 -3.891 -3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.638 -5.403 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.929 -5.911 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.294 -5.640 -0.444 1.00 0.00 H new ATOM 1130 N ARG A 71 4.769 -1.608 0.081 1.00 0.00 N ATOM 1131 CA ARG A 71 4.772 -0.904 1.361 1.00 0.00 C ATOM 1132 C ARG A 71 4.692 0.608 1.145 1.00 0.00 C ATOM 1133 O ARG A 71 3.893 1.299 1.783 1.00 0.00 O ATOM 1134 CB ARG A 71 6.044 -1.248 2.143 1.00 0.00 C ATOM 1135 CG ARG A 71 6.077 -0.656 3.540 1.00 0.00 C ATOM 1136 CD ARG A 71 7.475 -0.699 4.140 1.00 0.00 C ATOM 1137 NE ARG A 71 8.016 -2.058 4.214 1.00 0.00 N ATOM 1138 CZ ARG A 71 9.187 -2.361 4.780 1.00 0.00 C ATOM 1139 NH1 ARG A 71 9.940 -1.408 5.318 1.00 0.00 N ATOM 1140 NH2 ARG A 71 9.611 -3.616 4.801 1.00 0.00 N ATOM 0 H ARG A 71 5.571 -2.222 -0.058 1.00 0.00 H new ATOM 0 HA ARG A 71 3.899 -1.221 1.932 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.135 -2.332 2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.911 -0.892 1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.728 0.376 3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.389 -1.204 4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.142 -0.079 3.541 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.450 -0.267 5.140 1.00 0.00 H new ATOM 0 HE ARG A 71 7.467 -2.817 3.810 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.625 -0.438 5.300 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.833 -1.646 5.749 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.043 -4.353 4.384 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.506 -3.845 5.234 1.00 0.00 H new ATOM 1154 N GLY A 72 5.509 1.103 0.220 1.00 0.00 N ATOM 1155 CA GLY A 72 5.581 2.529 -0.039 1.00 0.00 C ATOM 1156 C GLY A 72 4.299 3.096 -0.619 1.00 0.00 C ATOM 1157 O GLY A 72 3.877 4.194 -0.248 1.00 0.00 O ATOM 0 H GLY A 72 6.128 0.535 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.813 3.049 0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.402 2.726 -0.728 1.00 0.00 H new ATOM 1161 N ARG A 73 3.669 2.361 -1.532 1.00 0.00 N ATOM 1162 CA ARG A 73 2.453 2.848 -2.167 1.00 0.00 C ATOM 1163 C ARG A 73 1.283 2.831 -1.185 1.00 0.00 C ATOM 1164 O ARG A 73 0.422 3.710 -1.228 1.00 0.00 O ATOM 1165 CB ARG A 73 2.132 2.082 -3.462 1.00 0.00 C ATOM 1166 CG ARG A 73 1.764 0.619 -3.282 1.00 0.00 C ATOM 1167 CD ARG A 73 1.634 -0.071 -4.631 1.00 0.00 C ATOM 1168 NE ARG A 73 2.906 -0.077 -5.356 1.00 0.00 N ATOM 1169 CZ ARG A 73 3.173 -0.853 -6.405 1.00 0.00 C ATOM 1170 NH1 ARG A 73 2.262 -1.700 -6.871 1.00 0.00 N ATOM 1171 NH2 ARG A 73 4.358 -0.771 -6.993 1.00 0.00 N ATOM 0 H ARG A 73 3.976 1.440 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 73 2.624 3.884 -2.459 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.308 2.586 -3.967 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.996 2.143 -4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.525 0.118 -2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.825 0.540 -2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.292 -1.096 -4.485 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.876 0.436 -5.228 1.00 0.00 H new ATOM 0 HE ARG A 73 3.638 0.557 -5.036 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.347 -1.761 -6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.478 -2.289 -7.675 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.058 -0.117 -6.642 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.570 -1.362 -7.797 1.00 0.00 H new ATOM 1185 N ILE A 74 1.268 1.847 -0.284 1.00 0.00 N ATOM 1186 CA ILE A 74 0.259 1.801 0.772 1.00 0.00 C ATOM 1187 C ILE A 74 0.420 3.004 1.703 1.00 0.00 C ATOM 1188 O ILE A 74 -0.561 3.659 2.064 1.00 0.00 O ATOM 1189 CB ILE A 74 0.338 0.490 1.590 1.00 0.00 C ATOM 1190 CG1 ILE A 74 0.035 -0.715 0.692 1.00 0.00 C ATOM 1191 CG2 ILE A 74 -0.630 0.533 2.766 1.00 0.00 C ATOM 1192 CD1 ILE A 74 0.165 -2.048 1.398 1.00 0.00 C ATOM 0 H ILE A 74 1.938 1.078 -0.265 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.719 1.835 0.293 1.00 0.00 H new ATOM 0 HB ILE A 74 1.350 0.388 1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.977 -0.619 0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.711 -0.699 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.560 -0.398 3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.376 1.370 3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.648 0.657 2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.064 -2.853 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.184 -2.167 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.531 -2.085 2.236 1.00 0.00 H new ATOM 1204 N GLU A 75 1.667 3.299 2.065 1.00 0.00 N ATOM 1205 CA GLU A 75 1.990 4.475 2.867 1.00 0.00 C ATOM 1206 C GLU A 75 1.433 5.731 2.217 1.00 0.00 C ATOM 1207 O GLU A 75 0.859 6.586 2.887 1.00 0.00 O ATOM 1208 CB GLU A 75 3.506 4.618 3.003 1.00 0.00 C ATOM 1209 CG GLU A 75 3.920 5.743 3.934 1.00 0.00 C ATOM 1210 CD GLU A 75 5.384 6.097 3.816 1.00 0.00 C ATOM 1211 OE1 GLU A 75 6.233 5.229 4.089 1.00 0.00 O ATOM 1212 OE2 GLU A 75 5.687 7.262 3.478 1.00 0.00 O ATOM 0 H GLU A 75 2.477 2.733 1.812 1.00 0.00 H new ATOM 0 HA GLU A 75 1.542 4.348 3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.921 3.680 3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.938 4.793 2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.319 6.626 3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.703 5.455 4.963 1.00 0.00 H new ATOM 1219 N SER A 76 1.604 5.824 0.907 1.00 0.00 N ATOM 1220 CA SER A 76 1.144 6.979 0.152 1.00 0.00 C ATOM 1221 C SER A 76 -0.370 7.158 0.276 1.00 0.00 C ATOM 1222 O SER A 76 -0.857 8.281 0.431 1.00 0.00 O ATOM 1223 CB SER A 76 1.545 6.838 -1.313 1.00 0.00 C ATOM 1224 OG SER A 76 2.955 6.710 -1.445 1.00 0.00 O ATOM 0 H SER A 76 2.061 5.108 0.342 1.00 0.00 H new ATOM 0 HA SER A 76 1.618 7.868 0.568 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.055 5.966 -1.746 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.201 7.707 -1.873 1.00 0.00 H new ATOM 0 HG SER A 76 3.242 5.852 -1.068 1.00 0.00 H new ATOM 1230 N VAL A 77 -1.104 6.051 0.226 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.559 6.089 0.340 1.00 0.00 C ATOM 1232 C VAL A 77 -2.990 6.435 1.764 1.00 0.00 C ATOM 1233 O VAL A 77 -3.823 7.319 1.972 1.00 0.00 O ATOM 1234 CB VAL A 77 -3.196 4.746 -0.075 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.715 4.807 0.042 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.787 4.374 -1.491 1.00 0.00 C ATOM 0 H VAL A 77 -0.715 5.115 0.107 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.909 6.866 -0.339 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.832 3.975 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.142 3.849 -0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.992 5.023 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.099 5.593 -0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.246 3.424 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.119 5.150 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.702 4.281 -1.544 1.00 0.00 H new ATOM 1246 N LEU A 78 -2.410 5.745 2.741 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.747 5.972 4.145 1.00 0.00 C ATOM 1248 C LEU A 78 -2.441 7.410 4.552 1.00 0.00 C ATOM 1249 O LEU A 78 -3.222 8.047 5.259 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.981 5.004 5.049 1.00 0.00 C ATOM 1251 CG LEU A 78 -2.273 3.519 4.818 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -1.466 2.657 5.777 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.755 3.230 4.973 1.00 0.00 C ATOM 0 H LEU A 78 -1.705 5.024 2.588 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.816 5.795 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.913 5.173 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.210 5.245 6.087 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.978 3.273 3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.688 1.605 5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.402 2.835 5.619 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.728 2.912 6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.938 2.169 4.804 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.075 3.498 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.318 3.815 4.246 1.00 0.00 H new ATOM 1265 N ASP A 79 -1.299 7.913 4.094 1.00 0.00 N ATOM 1266 CA ASP A 79 -0.888 9.286 4.377 1.00 0.00 C ATOM 1267 C ASP A 79 -1.862 10.283 3.756 1.00 0.00 C ATOM 1268 O ASP A 79 -2.262 11.258 4.393 1.00 0.00 O ATOM 1269 CB ASP A 79 0.528 9.519 3.842 1.00 0.00 C ATOM 1270 CG ASP A 79 0.962 10.969 3.908 1.00 0.00 C ATOM 1271 OD1 ASP A 79 1.346 11.437 5.000 1.00 0.00 O ATOM 1272 OD2 ASP A 79 0.948 11.642 2.854 1.00 0.00 O ATOM 0 H ASP A 79 -0.638 7.388 3.522 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.894 9.439 5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.229 8.911 4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.579 9.178 2.808 1.00 0.00 H new ATOM 1277 N TRP A 80 -2.253 10.013 2.515 1.00 0.00 N ATOM 1278 CA TRP A 80 -3.208 10.852 1.801 1.00 0.00 C ATOM 1279 C TRP A 80 -4.534 10.922 2.553 1.00 0.00 C ATOM 1280 O TRP A 80 -5.094 12.002 2.755 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.422 10.295 0.391 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.504 10.979 -0.394 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.411 12.165 -1.066 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -5.838 10.502 -0.608 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -5.605 12.456 -1.678 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.498 11.450 -1.411 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.539 9.366 -0.195 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -7.824 11.294 -1.811 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -7.853 9.213 -0.591 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.483 10.173 -1.393 1.00 0.00 C ATOM 0 H TRP A 80 -1.919 9.212 1.979 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.808 11.863 1.731 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.486 10.372 -0.162 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.661 9.234 0.466 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.527 12.784 -1.109 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.797 13.285 -2.240 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.061 8.620 0.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.313 12.033 -2.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.404 8.339 -0.277 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.511 10.024 -1.687 1.00 0.00 H new ATOM 1301 N ALA A 81 -5.023 9.764 2.979 1.00 0.00 N ATOM 1302 CA ALA A 81 -6.281 9.682 3.704 1.00 0.00 C ATOM 1303 C ALA A 81 -6.206 10.434 5.027 1.00 0.00 C ATOM 1304 O ALA A 81 -7.184 11.043 5.452 1.00 0.00 O ATOM 1305 CB ALA A 81 -6.662 8.231 3.937 1.00 0.00 C ATOM 0 H ALA A 81 -4.563 8.865 2.833 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.052 10.154 3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.606 8.185 4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.771 7.725 2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.883 7.739 4.520 1.00 0.00 H new ATOM 1311 N THR A 82 -5.049 10.393 5.675 1.00 0.00 N ATOM 1312 CA THR A 82 -4.845 11.132 6.911 1.00 0.00 C ATOM 1313 C THR A 82 -4.974 12.635 6.669 1.00 0.00 C ATOM 1314 O THR A 82 -5.687 13.326 7.399 1.00 0.00 O ATOM 1315 CB THR A 82 -3.472 10.811 7.532 1.00 0.00 C ATOM 1316 OG1 THR A 82 -3.434 9.435 7.938 1.00 0.00 O ATOM 1317 CG2 THR A 82 -3.180 11.708 8.728 1.00 0.00 C ATOM 0 H THR A 82 -4.239 9.856 5.365 1.00 0.00 H new ATOM 0 HA THR A 82 -5.619 10.822 7.613 1.00 0.00 H new ATOM 0 HB THR A 82 -2.708 10.994 6.777 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.803 9.350 8.842 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.204 11.455 9.143 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.180 12.750 8.410 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.946 11.561 9.489 1.00 0.00 H new ATOM 1325 N VAL A 83 -4.310 13.124 5.625 1.00 0.00 N ATOM 1326 CA VAL A 83 -4.378 14.537 5.262 1.00 0.00 C ATOM 1327 C VAL A 83 -5.810 14.936 4.910 1.00 0.00 C ATOM 1328 O VAL A 83 -6.303 15.978 5.347 1.00 0.00 O ATOM 1329 CB VAL A 83 -3.448 14.858 4.071 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -3.546 16.326 3.684 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -2.009 14.497 4.407 1.00 0.00 C ATOM 0 H VAL A 83 -3.718 12.561 5.014 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.046 15.110 6.128 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.771 14.258 3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.882 16.526 2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.572 16.560 3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.255 16.946 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.368 14.730 3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.683 15.070 5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.944 13.432 4.630 1.00 0.00 H new ATOM 1341 N ARG A 84 -6.478 14.089 4.136 1.00 0.00 N ATOM 1342 CA ARG A 84 -7.858 14.340 3.733 1.00 0.00 C ATOM 1343 C ARG A 84 -8.810 14.235 4.920 1.00 0.00 C ATOM 1344 O ARG A 84 -9.878 14.839 4.917 1.00 0.00 O ATOM 1345 CB ARG A 84 -8.279 13.361 2.638 1.00 0.00 C ATOM 1346 CG ARG A 84 -7.513 13.530 1.339 1.00 0.00 C ATOM 1347 CD ARG A 84 -7.764 14.893 0.710 1.00 0.00 C ATOM 1348 NE ARG A 84 -9.142 15.048 0.236 1.00 0.00 N ATOM 1349 CZ ARG A 84 -9.680 16.215 -0.120 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -8.985 17.342 0.001 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -10.918 16.254 -0.594 1.00 0.00 N ATOM 0 H ARG A 84 -6.086 13.220 3.774 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.911 15.357 3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.140 12.343 3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.344 13.487 2.440 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.446 13.407 1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.806 12.747 0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.545 15.672 1.440 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.078 15.036 -0.125 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.725 14.213 0.175 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.034 17.318 0.368 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.403 18.231 -0.273 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.456 15.393 -0.686 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.332 17.145 -0.867 1.00 0.00 H new ATOM 1365 N GLY A 85 -8.420 13.470 5.932 1.00 0.00 N ATOM 1366 CA GLY A 85 -9.226 13.360 7.133 1.00 0.00 C ATOM 1367 C GLY A 85 -10.148 12.155 7.121 1.00 0.00 C ATOM 1368 O GLY A 85 -11.224 12.189 7.719 1.00 0.00 O ATOM 0 H GLY A 85 -7.559 12.923 5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.569 13.299 8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.822 14.265 7.248 1.00 0.00 H new ATOM 1372 N TYR A 86 -9.729 11.087 6.451 1.00 0.00 N ATOM 1373 CA TYR A 86 -10.522 9.859 6.383 1.00 0.00 C ATOM 1374 C TYR A 86 -9.996 8.815 7.364 1.00 0.00 C ATOM 1375 O TYR A 86 -10.512 7.698 7.434 1.00 0.00 O ATOM 1376 CB TYR A 86 -10.513 9.285 4.961 1.00 0.00 C ATOM 1377 CG TYR A 86 -11.242 10.142 3.948 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -12.623 10.280 3.999 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -10.552 10.809 2.944 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -13.297 11.060 3.078 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -11.219 11.593 2.019 1.00 0.00 C ATOM 1382 CZ TYR A 86 -12.590 11.714 2.090 1.00 0.00 C ATOM 1383 OH TYR A 86 -13.258 12.498 1.174 1.00 0.00 O ATOM 0 H TYR A 86 -8.844 11.044 5.946 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.547 10.111 6.656 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.480 9.158 4.638 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.966 8.294 4.977 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -13.180 9.769 4.771 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.478 10.714 2.884 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.371 11.157 3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.668 12.107 1.246 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.614 12.889 0.547 1.00 0.00 H new ATOM 1393 N ARG A 87 -8.967 9.182 8.117 1.00 0.00 N ATOM 1394 CA ARG A 87 -8.371 8.284 9.094 1.00 0.00 C ATOM 1395 C ARG A 87 -7.508 9.080 10.064 1.00 0.00 C ATOM 1396 O ARG A 87 -7.317 10.285 9.884 1.00 0.00 O ATOM 1397 CB ARG A 87 -7.535 7.201 8.401 1.00 0.00 C ATOM 1398 CG ARG A 87 -6.368 7.745 7.593 1.00 0.00 C ATOM 1399 CD ARG A 87 -5.659 6.650 6.808 1.00 0.00 C ATOM 1400 NE ARG A 87 -5.177 5.569 7.665 1.00 0.00 N ATOM 1401 CZ ARG A 87 -4.050 5.626 8.369 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -3.273 6.699 8.305 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -3.686 4.605 9.130 1.00 0.00 N ATOM 0 H ARG A 87 -8.527 10.101 8.068 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.170 7.790 9.648 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.152 6.513 9.155 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.182 6.623 7.742 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.729 8.509 6.905 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.657 8.229 8.263 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.342 6.242 6.063 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.818 7.082 6.266 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.739 4.720 7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.539 7.486 7.714 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.410 6.737 8.847 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.271 3.771 9.178 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.821 4.653 9.668 1.00 0.00 H new ATOM 1417 N GLU A 88 -6.991 8.407 11.082 1.00 0.00 N ATOM 1418 CA GLU A 88 -6.166 9.060 12.089 1.00 0.00 C ATOM 1419 C GLU A 88 -4.746 9.310 11.570 1.00 0.00 C ATOM 1420 O GLU A 88 -4.420 8.976 10.427 1.00 0.00 O ATOM 1421 CB GLU A 88 -6.148 8.237 13.379 1.00 0.00 C ATOM 1422 CG GLU A 88 -7.247 8.623 14.371 1.00 0.00 C ATOM 1423 CD GLU A 88 -8.660 8.459 13.830 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -9.105 9.307 13.026 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -9.350 7.505 14.240 1.00 0.00 O ATOM 0 H GLU A 88 -7.128 7.408 11.233 1.00 0.00 H new ATOM 0 HA GLU A 88 -6.606 10.033 12.310 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.252 7.182 13.127 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.178 8.355 13.861 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.141 8.014 15.269 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.103 9.661 14.670 1.00 0.00 H new ATOM 1432 N GLY A 89 -3.903 9.886 12.422 1.00 0.00 N ATOM 1433 CA GLY A 89 -2.620 10.410 11.976 1.00 0.00 C ATOM 1434 C GLY A 89 -1.452 9.455 12.121 1.00 0.00 C ATOM 1435 O GLY A 89 -0.303 9.891 12.235 1.00 0.00 O ATOM 0 H GLY A 89 -4.085 10.001 13.419 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.707 10.698 10.928 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.400 11.317 12.539 1.00 0.00 H new ATOM 1439 N ASP A 90 -1.724 8.170 12.122 1.00 0.00 N ATOM 1440 CA ASP A 90 -0.655 7.171 12.191 1.00 0.00 C ATOM 1441 C ASP A 90 -0.624 6.334 10.918 1.00 0.00 C ATOM 1442 O ASP A 90 -1.669 5.984 10.377 1.00 0.00 O ATOM 1443 CB ASP A 90 -0.827 6.267 13.414 1.00 0.00 C ATOM 1444 CG ASP A 90 0.256 5.206 13.508 1.00 0.00 C ATOM 1445 OD1 ASP A 90 1.368 5.523 13.986 1.00 0.00 O ATOM 1446 OD2 ASP A 90 -0.001 4.053 13.110 1.00 0.00 O ATOM 0 H ASP A 90 -2.667 7.783 12.076 1.00 0.00 H new ATOM 0 HA ASP A 90 0.293 7.699 12.287 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.814 6.877 14.318 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.803 5.783 13.370 1.00 0.00 H new ATOM 1451 N ASN A 91 0.570 6.027 10.433 1.00 0.00 N ATOM 1452 CA ASN A 91 0.723 5.277 9.189 1.00 0.00 C ATOM 1453 C ASN A 91 1.464 3.962 9.428 1.00 0.00 C ATOM 1454 O ASN A 91 2.694 3.917 9.379 1.00 0.00 O ATOM 1455 CB ASN A 91 1.442 6.105 8.118 1.00 0.00 C ATOM 1456 CG ASN A 91 1.342 5.472 6.737 1.00 0.00 C ATOM 1457 OD1 ASN A 91 1.274 4.254 6.595 1.00 0.00 O ATOM 1458 ND2 ASN A 91 1.320 6.296 5.704 1.00 0.00 N ATOM 0 H ASN A 91 1.450 6.285 10.880 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.279 5.049 8.824 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.014 7.107 8.088 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.492 6.215 8.390 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.245 5.925 4.757 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.378 7.303 5.854 1.00 0.00 H new ATOM 1465 N PRO A 92 0.717 2.884 9.723 1.00 0.00 N ATOM 1466 CA PRO A 92 1.282 1.558 10.033 1.00 0.00 C ATOM 1467 C PRO A 92 2.137 0.971 8.906 1.00 0.00 C ATOM 1468 O PRO A 92 2.821 -0.033 9.100 1.00 0.00 O ATOM 1469 CB PRO A 92 0.047 0.681 10.257 1.00 0.00 C ATOM 1470 CG PRO A 92 -1.048 1.635 10.575 1.00 0.00 C ATOM 1471 CD PRO A 92 -0.753 2.871 9.781 1.00 0.00 C ATOM 0 HA PRO A 92 1.956 1.618 10.887 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.187 0.094 9.369 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.206 -0.024 11.073 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.019 1.220 10.306 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.079 1.854 11.642 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.196 2.827 8.786 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.146 3.765 10.265 1.00 0.00 H new ATOM 1479 N ALA A 93 2.095 1.593 7.731 1.00 0.00 N ATOM 1480 CA ALA A 93 2.902 1.140 6.604 1.00 0.00 C ATOM 1481 C ALA A 93 4.355 1.576 6.773 1.00 0.00 C ATOM 1482 O ALA A 93 5.235 1.174 6.010 1.00 0.00 O ATOM 1483 CB ALA A 93 2.338 1.657 5.290 1.00 0.00 C ATOM 0 H ALA A 93 1.514 2.408 7.536 1.00 0.00 H new ATOM 0 HA ALA A 93 2.870 0.051 6.581 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.957 1.306 4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.320 1.290 5.161 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.332 2.747 5.300 1.00 0.00 H new ATOM 1489 N ARG A 94 4.596 2.422 7.765 1.00 0.00 N ATOM 1490 CA ARG A 94 5.945 2.792 8.137 1.00 0.00 C ATOM 1491 C ARG A 94 6.404 1.902 9.279 1.00 0.00 C ATOM 1492 O ARG A 94 5.694 1.726 10.273 1.00 0.00 O ATOM 1493 CB ARG A 94 6.012 4.264 8.525 1.00 0.00 C ATOM 1494 CG ARG A 94 5.756 5.190 7.351 1.00 0.00 C ATOM 1495 CD ARG A 94 5.848 6.653 7.742 1.00 0.00 C ATOM 1496 NE ARG A 94 5.760 7.525 6.570 1.00 0.00 N ATOM 1497 CZ ARG A 94 5.213 8.740 6.569 1.00 0.00 C ATOM 1498 NH1 ARG A 94 4.649 9.229 7.665 1.00 0.00 N ATOM 1499 NH2 ARG A 94 5.206 9.455 5.451 1.00 0.00 N ATOM 0 H ARG A 94 3.868 2.864 8.326 1.00 0.00 H new ATOM 0 HA ARG A 94 6.611 2.651 7.285 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.279 4.463 9.307 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.994 4.480 8.946 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.478 4.981 6.562 1.00 0.00 H new ATOM 0 HG3 ARG A 94 4.767 4.987 6.940 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.046 6.896 8.439 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.789 6.834 8.262 1.00 0.00 H new ATOM 0 HE ARG A 94 6.145 7.178 5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.631 8.674 8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.233 10.160 7.653 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.618 9.074 4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.789 10.386 5.443 1.00 0.00 H new ATOM 1513 N TRP A 95 7.592 1.349 9.135 1.00 0.00 N ATOM 1514 CA TRP A 95 8.039 0.282 10.013 1.00 0.00 C ATOM 1515 C TRP A 95 9.343 0.596 10.725 1.00 0.00 C ATOM 1516 O TRP A 95 10.337 0.970 10.100 1.00 0.00 O ATOM 1517 CB TRP A 95 8.212 -1.002 9.215 1.00 0.00 C ATOM 1518 CG TRP A 95 7.116 -1.990 9.433 1.00 0.00 C ATOM 1519 CD1 TRP A 95 6.773 -2.582 10.613 1.00 0.00 C ATOM 1520 CD2 TRP A 95 6.234 -2.524 8.443 1.00 0.00 C ATOM 1521 NE1 TRP A 95 5.744 -3.462 10.413 1.00 0.00 N ATOM 1522 CE2 TRP A 95 5.386 -3.437 9.094 1.00 0.00 C ATOM 1523 CE3 TRP A 95 6.076 -2.319 7.072 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 4.398 -4.145 8.419 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 5.092 -3.020 6.405 1.00 0.00 C ATOM 1526 CH2 TRP A 95 4.266 -3.923 7.080 1.00 0.00 C ATOM 0 H TRP A 95 8.266 1.620 8.419 1.00 0.00 H new ATOM 0 HA TRP A 95 7.270 0.169 10.777 1.00 0.00 H new ATOM 0 HB2 TRP A 95 8.264 -0.757 8.154 1.00 0.00 H new ATOM 0 HB3 TRP A 95 9.163 -1.462 9.483 1.00 0.00 H new ATOM 0 HD1 TRP A 95 7.244 -2.385 11.565 1.00 0.00 H new ATOM 0 HE1 TRP A 95 5.314 -4.043 11.132 1.00 0.00 H new ATOM 0 HE3 TRP A 95 6.712 -1.625 6.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.759 -4.845 8.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.958 -2.868 5.344 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.506 -4.457 6.529 1.00 0.00 H new ATOM 1537 N ARG A 96 9.320 0.426 12.038 1.00 0.00 N ATOM 1538 CA ARG A 96 10.524 0.438 12.845 1.00 0.00 C ATOM 1539 C ARG A 96 10.733 -0.935 13.478 1.00 0.00 C ATOM 1540 O ARG A 96 11.819 -1.255 13.956 1.00 0.00 O ATOM 1541 CB ARG A 96 10.425 1.496 13.938 1.00 0.00 C ATOM 1542 CG ARG A 96 10.358 2.917 13.412 1.00 0.00 C ATOM 1543 CD ARG A 96 10.474 3.924 14.540 1.00 0.00 C ATOM 1544 NE ARG A 96 10.293 5.297 14.072 1.00 0.00 N ATOM 1545 CZ ARG A 96 11.297 6.119 13.770 1.00 0.00 C ATOM 1546 NH1 ARG A 96 12.557 5.693 13.847 1.00 0.00 N ATOM 1547 NH2 ARG A 96 11.042 7.362 13.373 1.00 0.00 N ATOM 0 H ARG A 96 8.464 0.276 12.572 1.00 0.00 H new ATOM 0 HA ARG A 96 11.372 0.677 12.203 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.538 1.300 14.541 1.00 0.00 H new ATOM 0 HB3 ARG A 96 11.287 1.404 14.599 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.160 3.079 12.692 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.418 3.068 12.882 1.00 0.00 H new ATOM 0 HD2 ARG A 96 9.729 3.700 15.303 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.452 3.828 15.012 1.00 0.00 H new ATOM 0 HE ARG A 96 9.340 5.647 13.971 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.755 4.736 14.138 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.324 6.324 13.615 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.078 7.686 13.300 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.811 7.991 13.142 1.00 0.00 H new ATOM 1561 N GLY A 97 9.681 -1.746 13.471 1.00 0.00 N ATOM 1562 CA GLY A 97 9.748 -3.048 14.099 1.00 0.00 C ATOM 1563 C GLY A 97 9.361 -4.173 13.159 1.00 0.00 C ATOM 1564 O GLY A 97 8.608 -5.072 13.537 1.00 0.00 O ATOM 0 H GLY A 97 8.783 -1.523 13.041 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.760 -3.218 14.465 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.089 -3.062 14.967 1.00 0.00 H new ATOM 1568 N TYR A 98 9.865 -4.126 11.936 1.00 0.00 N ATOM 1569 CA TYR A 98 9.603 -5.181 10.966 1.00 0.00 C ATOM 1570 C TYR A 98 10.869 -5.971 10.716 1.00 0.00 C ATOM 1571 O TYR A 98 11.932 -5.384 10.502 1.00 0.00 O ATOM 1572 CB TYR A 98 9.102 -4.586 9.653 1.00 0.00 C ATOM 1573 CG TYR A 98 8.569 -5.605 8.671 1.00 0.00 C ATOM 1574 CD1 TYR A 98 7.607 -6.533 9.051 1.00 0.00 C ATOM 1575 CD2 TYR A 98 9.011 -5.620 7.354 1.00 0.00 C ATOM 1576 CE1 TYR A 98 7.106 -7.449 8.149 1.00 0.00 C ATOM 1577 CE2 TYR A 98 8.516 -6.535 6.448 1.00 0.00 C ATOM 1578 CZ TYR A 98 7.563 -7.445 6.850 1.00 0.00 C ATOM 1579 OH TYR A 98 7.060 -8.352 5.947 1.00 0.00 O ATOM 0 H TYR A 98 10.457 -3.371 11.590 1.00 0.00 H new ATOM 0 HA TYR A 98 8.835 -5.842 11.368 1.00 0.00 H new ATOM 0 HB2 TYR A 98 8.316 -3.864 9.872 1.00 0.00 H new ATOM 0 HB3 TYR A 98 9.917 -4.037 9.182 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.246 -6.537 10.069 1.00 0.00 H new ATOM 0 HD2 TYR A 98 9.754 -4.904 7.034 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.360 -8.165 8.460 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.874 -6.538 5.429 1.00 0.00 H new ATOM 0 HH TYR A 98 6.136 -8.573 6.186 1.00 0.00 H new ATOM 1589 N LEU A 99 10.749 -7.294 10.738 1.00 0.00 N ATOM 1590 CA LEU A 99 11.873 -8.182 10.545 1.00 0.00 C ATOM 1591 C LEU A 99 13.037 -7.778 11.430 1.00 0.00 C ATOM 1592 O LEU A 99 14.161 -7.588 10.959 1.00 0.00 O ATOM 1593 CB LEU A 99 12.298 -8.180 9.092 1.00 0.00 C ATOM 1594 CG LEU A 99 11.210 -8.542 8.078 1.00 0.00 C ATOM 1595 CD1 LEU A 99 11.752 -8.434 6.663 1.00 0.00 C ATOM 1596 CD2 LEU A 99 10.681 -9.944 8.341 1.00 0.00 C ATOM 0 H LEU A 99 9.863 -7.775 10.891 1.00 0.00 H new ATOM 0 HA LEU A 99 11.564 -9.190 10.823 1.00 0.00 H new ATOM 0 HB2 LEU A 99 12.681 -7.190 8.847 1.00 0.00 H new ATOM 0 HB3 LEU A 99 13.125 -8.880 8.974 1.00 0.00 H new ATOM 0 HG LEU A 99 10.385 -7.838 8.188 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.968 -8.694 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 99 12.085 -7.413 6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.593 -9.117 6.542 1.00 0.00 H new ATOM 0 HD21 LEU A 99 9.908 -10.184 7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.496 -10.662 8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.259 -9.991 9.345 1.00 0.00 H new