USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.4) USER MOD Set 2.1: A 25 GLN : amide:sc= -0.221 K(o=-3.1,f=-4.5) USER MOD Set 2.2: A 88 GLN : amide:sc= -2.88 K(o=-3.1,f=-4.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.14 (180deg=-0.169) USER MOD Single : A 5 LYS NZ :NH3+ -173:sc=-0.00418 (180deg=-0.089) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 136:sc= 0.58 (180deg=0.341) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 15 ASN : amide:sc= -0.0125 K(o=-0.012,f=-1.4) USER MOD Single : A 17 HIS : no HD1:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.187 K(o=0.19,f=-2) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 95:sc= 1.25 USER MOD Single : A 31 GLN : amide:sc= -5.51! C(o=-5.5!,f=-6.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.12) USER MOD Single : A 37 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=-0.013) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.646 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -159:sc= -0.219 (180deg=-1.57) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0.727 USER MOD Single : A 48 CYS SG : rot -29:sc= -0.0825 USER MOD Single : A 51 GLN : amide:sc= -2.61 K(o=-2.6,f=-5!) USER MOD Single : A 55 MET CE :methyl -134:sc= -2.02 (180deg=-7.18!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 68 ASN :FLIP amide:sc= -2.54! C(o=-4.7!,f=-2.5!) USER MOD Single : A 70 THR OG1 : rot -38:sc= 0.912 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.34 F(o=-2.2,f=-0.34) USER MOD Single : A 78 MET CE :methyl -172:sc= -2.13! (180deg=-2.34!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.58 K(o=-1.6,f=-4.7!) USER MOD Single : A 90 GLN : amide:sc= -5.05! C(o=-5.1!,f=-6.5!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.814 13.784 12.358 1.00 0.00 N ATOM 2 CA MET A 1 16.376 12.875 11.278 1.00 0.00 C ATOM 3 C MET A 1 15.762 11.605 11.845 1.00 0.00 C ATOM 4 O MET A 1 15.155 10.824 11.122 1.00 0.00 O ATOM 5 CB MET A 1 17.550 12.519 10.347 1.00 0.00 C ATOM 6 CG MET A 1 18.627 11.652 10.992 1.00 0.00 C ATOM 7 SD MET A 1 19.962 11.244 9.851 1.00 0.00 S ATOM 8 CE MET A 1 20.974 10.181 10.881 1.00 0.00 C ATOM 0 H1 MET A 1 17.182 14.664 11.943 1.00 0.00 H new ATOM 0 H2 MET A 1 16.007 14.004 12.976 1.00 0.00 H new ATOM 0 H3 MET A 1 17.562 13.325 12.916 1.00 0.00 H new ATOM 0 HA MET A 1 15.616 13.399 10.699 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.159 12.000 9.472 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.009 13.442 9.992 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.039 12.173 11.856 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.175 10.731 11.361 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.843 9.845 10.315 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.305 10.734 11.760 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.390 9.316 11.196 1.00 0.00 H new ATOM 18 N ALA A 2 15.913 11.400 13.145 1.00 0.00 N ATOM 19 CA ALA A 2 15.404 10.215 13.814 1.00 0.00 C ATOM 20 C ALA A 2 13.925 10.339 14.137 1.00 0.00 C ATOM 21 O ALA A 2 13.511 10.191 15.285 1.00 0.00 O ATOM 22 CB ALA A 2 16.194 9.968 15.081 1.00 0.00 C ATOM 0 H ALA A 2 16.393 12.052 13.765 1.00 0.00 H new ATOM 0 HA ALA A 2 15.521 9.370 13.136 1.00 0.00 H new ATOM 0 HB1 ALA A 2 15.811 9.079 15.581 1.00 0.00 H new ATOM 0 HB2 ALA A 2 17.245 9.819 14.832 1.00 0.00 H new ATOM 0 HB3 ALA A 2 16.097 10.828 15.744 1.00 0.00 H new ATOM 28 N ASP A 3 13.125 10.603 13.128 1.00 0.00 N ATOM 29 CA ASP A 3 11.683 10.725 13.309 1.00 0.00 C ATOM 30 C ASP A 3 11.039 9.361 13.547 1.00 0.00 C ATOM 31 O ASP A 3 9.890 9.277 13.987 1.00 0.00 O ATOM 32 CB ASP A 3 11.029 11.438 12.120 1.00 0.00 C ATOM 33 CG ASP A 3 11.147 10.670 10.819 1.00 0.00 C ATOM 34 OD1 ASP A 3 12.244 10.665 10.228 1.00 0.00 O ATOM 35 OD2 ASP A 3 10.135 10.093 10.367 1.00 0.00 O ATOM 0 H ASP A 3 13.443 10.739 12.168 1.00 0.00 H new ATOM 0 HA ASP A 3 11.516 11.335 14.196 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.975 11.604 12.341 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.488 12.419 11.997 1.00 0.00 H new ATOM 40 N GLU A 4 11.778 8.283 13.248 1.00 0.00 N ATOM 41 CA GLU A 4 11.304 6.928 13.529 1.00 0.00 C ATOM 42 C GLU A 4 11.071 6.771 15.019 1.00 0.00 C ATOM 43 O GLU A 4 9.995 6.352 15.460 1.00 0.00 O ATOM 44 CB GLU A 4 12.318 5.884 13.053 1.00 0.00 C ATOM 45 CG GLU A 4 12.364 5.693 11.550 1.00 0.00 C ATOM 46 CD GLU A 4 11.096 5.073 11.004 1.00 0.00 C ATOM 47 OE1 GLU A 4 10.973 3.829 11.060 1.00 0.00 O ATOM 48 OE2 GLU A 4 10.219 5.820 10.516 1.00 0.00 O ATOM 0 H GLU A 4 12.700 8.326 12.814 1.00 0.00 H new ATOM 0 HA GLU A 4 10.370 6.770 12.991 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.310 6.174 13.400 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.083 4.928 13.521 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.529 6.657 11.070 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.213 5.060 11.294 1.00 0.00 H new ATOM 55 N LYS A 5 12.083 7.115 15.801 1.00 0.00 N ATOM 56 CA LYS A 5 11.981 7.076 17.243 1.00 0.00 C ATOM 57 C LYS A 5 12.554 8.370 17.852 1.00 0.00 C ATOM 58 O LYS A 5 13.753 8.490 18.111 1.00 0.00 O ATOM 59 CB LYS A 5 12.643 5.805 17.849 1.00 0.00 C ATOM 60 CG LYS A 5 14.166 5.709 17.717 1.00 0.00 C ATOM 61 CD LYS A 5 14.621 5.434 16.290 1.00 0.00 C ATOM 62 CE LYS A 5 16.116 5.139 16.236 1.00 0.00 C ATOM 63 NZ LYS A 5 16.932 6.259 16.778 1.00 0.00 N ATOM 0 H LYS A 5 12.990 7.426 15.453 1.00 0.00 H new ATOM 0 HA LYS A 5 10.924 7.015 17.502 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.387 5.757 18.907 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.202 4.929 17.374 1.00 0.00 H new ATOM 0 HG2 LYS A 5 14.615 6.640 18.063 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.533 4.916 18.369 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.066 4.588 15.885 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.394 6.295 15.661 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.326 4.232 16.803 1.00 0.00 H new ATOM 0 HE3 LYS A 5 16.409 4.945 15.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.940 6.065 16.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.667 7.144 16.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.760 6.351 17.800 1.00 0.00 H new ATOM 77 N PRO A 6 11.694 9.375 18.016 1.00 0.00 N ATOM 78 CA PRO A 6 12.077 10.668 18.586 1.00 0.00 C ATOM 79 C PRO A 6 12.266 10.603 20.098 1.00 0.00 C ATOM 80 O PRO A 6 12.459 9.533 20.672 1.00 0.00 O ATOM 81 CB PRO A 6 10.887 11.570 18.234 1.00 0.00 C ATOM 82 CG PRO A 6 9.728 10.648 18.083 1.00 0.00 C ATOM 83 CD PRO A 6 10.279 9.328 17.629 1.00 0.00 C ATOM 0 HA PRO A 6 13.032 11.021 18.196 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.705 12.305 19.018 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.072 12.124 17.314 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.195 10.540 19.027 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.015 11.039 17.357 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.763 8.496 18.107 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.165 9.198 16.553 1.00 0.00 H new ATOM 91 N LYS A 7 12.174 11.750 20.754 1.00 0.00 N ATOM 92 CA LYS A 7 12.338 11.819 22.201 1.00 0.00 C ATOM 93 C LYS A 7 11.007 11.559 22.889 1.00 0.00 C ATOM 94 O LYS A 7 10.702 12.141 23.933 1.00 0.00 O ATOM 95 CB LYS A 7 12.915 13.175 22.619 1.00 0.00 C ATOM 96 CG LYS A 7 14.338 13.405 22.149 1.00 0.00 C ATOM 97 CD LYS A 7 15.280 12.367 22.731 1.00 0.00 C ATOM 98 CE LYS A 7 16.703 12.571 22.251 1.00 0.00 C ATOM 99 NZ LYS A 7 17.608 11.521 22.769 1.00 0.00 N ATOM 0 H LYS A 7 11.986 12.648 20.308 1.00 0.00 H new ATOM 0 HA LYS A 7 13.044 11.048 22.510 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.279 13.967 22.224 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.884 13.253 23.706 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.376 13.365 21.060 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.665 14.403 22.443 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.252 12.419 23.819 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.941 11.370 22.451 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.724 12.565 21.161 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.059 13.550 22.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.573 11.692 22.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.606 11.543 23.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.282 10.589 22.442 1.00 0.00 H new ATOM 113 N GLU A 8 10.215 10.672 22.277 1.00 0.00 N ATOM 114 CA GLU A 8 8.915 10.249 22.785 1.00 0.00 C ATOM 115 C GLU A 8 7.898 11.375 22.773 1.00 0.00 C ATOM 116 O GLU A 8 6.847 11.298 23.414 1.00 0.00 O ATOM 117 CB GLU A 8 9.058 9.666 24.172 1.00 0.00 C ATOM 118 CG GLU A 8 9.882 8.396 24.223 1.00 0.00 C ATOM 119 CD GLU A 8 10.008 7.865 25.622 1.00 0.00 C ATOM 120 OE1 GLU A 8 9.025 7.291 26.130 1.00 0.00 O ATOM 121 OE2 GLU A 8 11.077 8.036 26.234 1.00 0.00 O ATOM 0 H GLU A 8 10.469 10.222 21.398 1.00 0.00 H new ATOM 0 HA GLU A 8 8.538 9.477 22.114 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.516 10.411 24.823 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.066 9.460 24.573 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.422 7.639 23.588 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.875 8.591 23.818 1.00 0.00 H new ATOM 128 N GLY A 9 8.199 12.411 22.032 1.00 0.00 N ATOM 129 CA GLY A 9 7.297 13.525 21.932 1.00 0.00 C ATOM 130 C GLY A 9 7.161 14.040 20.522 1.00 0.00 C ATOM 131 O GLY A 9 7.472 15.206 20.243 1.00 0.00 O ATOM 0 H GLY A 9 9.059 12.505 21.492 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.316 13.227 22.302 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.649 14.331 22.576 1.00 0.00 H new ATOM 135 N VAL A 10 6.715 13.186 19.610 1.00 0.00 N ATOM 136 CA VAL A 10 6.503 13.603 18.235 1.00 0.00 C ATOM 137 C VAL A 10 5.318 14.568 18.166 1.00 0.00 C ATOM 138 O VAL A 10 4.244 14.306 18.721 1.00 0.00 O ATOM 139 CB VAL A 10 6.279 12.392 17.278 1.00 0.00 C ATOM 140 CG1 VAL A 10 5.014 11.622 17.629 1.00 0.00 C ATOM 141 CG2 VAL A 10 6.252 12.850 15.826 1.00 0.00 C ATOM 0 H VAL A 10 6.495 12.208 19.798 1.00 0.00 H new ATOM 0 HA VAL A 10 7.407 14.110 17.898 1.00 0.00 H new ATOM 0 HB VAL A 10 7.120 11.711 17.408 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.894 10.786 16.939 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.090 11.243 18.648 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.152 12.284 17.551 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.095 11.989 15.176 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.441 13.564 15.685 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.201 13.325 15.576 1.00 0.00 H new ATOM 151 N LYS A 11 5.517 15.704 17.529 1.00 0.00 N ATOM 152 CA LYS A 11 4.479 16.710 17.445 1.00 0.00 C ATOM 153 C LYS A 11 4.668 17.610 16.237 1.00 0.00 C ATOM 154 O LYS A 11 5.790 17.969 15.873 1.00 0.00 O ATOM 155 CB LYS A 11 4.443 17.542 18.737 1.00 0.00 C ATOM 156 CG LYS A 11 5.818 17.972 19.228 1.00 0.00 C ATOM 157 CD LYS A 11 5.736 18.708 20.554 1.00 0.00 C ATOM 158 CE LYS A 11 7.119 18.928 21.152 1.00 0.00 C ATOM 159 NZ LYS A 11 7.774 17.647 21.533 1.00 0.00 N ATOM 0 H LYS A 11 6.389 15.953 17.062 1.00 0.00 H new ATOM 0 HA LYS A 11 3.525 16.197 17.325 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.833 18.430 18.570 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.953 16.961 19.519 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.456 17.095 19.337 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.286 18.616 18.483 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.243 19.669 20.409 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.123 18.138 21.251 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.745 19.455 20.432 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.036 19.568 22.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.768 17.661 21.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.732 17.529 22.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.281 16.855 21.074 1.00 0.00 H new ATOM 173 N THR A 12 3.565 17.954 15.606 1.00 0.00 N ATOM 174 CA THR A 12 3.555 18.842 14.471 1.00 0.00 C ATOM 175 C THR A 12 2.348 19.774 14.598 1.00 0.00 C ATOM 176 O THR A 12 1.293 19.366 15.099 1.00 0.00 O ATOM 177 CB THR A 12 3.467 18.045 13.147 1.00 0.00 C ATOM 178 OG1 THR A 12 4.508 17.060 13.107 1.00 0.00 O ATOM 179 CG2 THR A 12 3.604 18.969 11.946 1.00 0.00 C ATOM 0 H THR A 12 2.640 17.618 15.873 1.00 0.00 H new ATOM 0 HA THR A 12 4.480 19.418 14.454 1.00 0.00 H new ATOM 0 HB THR A 12 2.492 17.559 13.104 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.449 16.556 12.269 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.539 18.385 11.028 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.804 19.709 11.963 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.568 19.476 11.985 1.00 0.00 H new ATOM 187 N GLU A 13 2.500 21.022 14.186 1.00 0.00 N ATOM 188 CA GLU A 13 1.432 22.009 14.298 1.00 0.00 C ATOM 189 C GLU A 13 0.206 21.593 13.494 1.00 0.00 C ATOM 190 O GLU A 13 -0.918 21.604 13.999 1.00 0.00 O ATOM 191 CB GLU A 13 1.912 23.397 13.849 1.00 0.00 C ATOM 192 CG GLU A 13 3.152 23.900 14.581 1.00 0.00 C ATOM 193 CD GLU A 13 4.447 23.400 13.966 1.00 0.00 C ATOM 194 OE1 GLU A 13 4.827 22.242 14.217 1.00 0.00 O ATOM 195 OE2 GLU A 13 5.087 24.170 13.230 1.00 0.00 O ATOM 0 H GLU A 13 3.359 21.380 13.768 1.00 0.00 H new ATOM 0 HA GLU A 13 1.150 22.063 15.350 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.123 23.367 12.780 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.103 24.113 13.995 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.152 24.990 14.578 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.105 23.584 15.623 1.00 0.00 H new ATOM 202 N ASN A 14 0.413 21.220 12.251 1.00 0.00 N ATOM 203 CA ASN A 14 -0.680 20.794 11.391 1.00 0.00 C ATOM 204 C ASN A 14 -0.375 19.429 10.794 1.00 0.00 C ATOM 205 O ASN A 14 0.575 19.276 10.029 1.00 0.00 O ATOM 206 CB ASN A 14 -0.907 21.823 10.276 1.00 0.00 C ATOM 207 CG ASN A 14 -2.010 21.422 9.316 1.00 0.00 C ATOM 208 OD1 ASN A 14 -1.763 20.756 8.316 1.00 0.00 O ATOM 209 ND2 ASN A 14 -3.228 21.829 9.611 1.00 0.00 N ATOM 0 H ASN A 14 1.331 21.201 11.807 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.589 20.719 11.988 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.154 22.786 10.723 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.020 21.958 9.719 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.008 21.592 8.998 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.391 22.381 10.453 1.00 0.00 H new ATOM 216 N ASN A 15 -1.162 18.431 11.151 1.00 0.00 N ATOM 217 CA ASN A 15 -0.948 17.084 10.647 1.00 0.00 C ATOM 218 C ASN A 15 -2.137 16.621 9.823 1.00 0.00 C ATOM 219 O ASN A 15 -3.289 16.946 10.123 1.00 0.00 O ATOM 220 CB ASN A 15 -0.698 16.104 11.802 1.00 0.00 C ATOM 221 CG ASN A 15 -0.324 14.706 11.316 1.00 0.00 C ATOM 222 OD1 ASN A 15 0.306 14.546 10.270 1.00 0.00 O ATOM 223 ND2 ASN A 15 -0.722 13.693 12.063 1.00 0.00 N ATOM 0 H ASN A 15 -1.954 18.526 11.787 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.066 17.103 10.007 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.101 16.490 12.435 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.593 16.042 12.421 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.510 12.736 11.780 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.242 13.867 12.923 1.00 0.00 H new ATOM 230 N ASP A 16 -1.858 15.885 8.770 1.00 0.00 N ATOM 231 CA ASP A 16 -2.879 15.333 7.908 1.00 0.00 C ATOM 232 C ASP A 16 -2.542 13.897 7.535 1.00 0.00 C ATOM 233 O ASP A 16 -1.639 13.627 6.747 1.00 0.00 O ATOM 234 CB ASP A 16 -3.083 16.196 6.645 1.00 0.00 C ATOM 235 CG ASP A 16 -1.785 16.747 6.068 1.00 0.00 C ATOM 236 OD1 ASP A 16 -1.066 16.006 5.382 1.00 0.00 O ATOM 237 OD2 ASP A 16 -1.482 17.934 6.311 1.00 0.00 O ATOM 0 H ASP A 16 -0.907 15.651 8.486 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.819 15.336 8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.585 15.599 5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.746 17.027 6.886 1.00 0.00 H new ATOM 242 N HIS A 17 -3.244 12.970 8.131 1.00 0.00 N ATOM 243 CA HIS A 17 -3.050 11.562 7.847 1.00 0.00 C ATOM 244 C HIS A 17 -4.353 10.964 7.332 1.00 0.00 C ATOM 245 O HIS A 17 -5.439 11.383 7.738 1.00 0.00 O ATOM 246 CB HIS A 17 -2.557 10.801 9.110 1.00 0.00 C ATOM 247 CG HIS A 17 -3.644 10.437 10.094 1.00 0.00 C ATOM 248 ND1 HIS A 17 -4.002 11.237 11.156 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.456 9.348 10.161 1.00 0.00 C ATOM 250 CE1 HIS A 17 -4.979 10.663 11.829 1.00 0.00 C ATOM 251 NE2 HIS A 17 -5.272 9.516 11.247 1.00 0.00 N ATOM 0 H HIS A 17 -3.966 13.163 8.826 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.282 11.460 7.081 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.052 9.888 8.793 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.815 11.415 9.620 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.457 8.507 9.483 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.459 11.064 12.709 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.990 8.861 11.556 1.00 0.00 H new ATOM 260 N ILE A 18 -4.259 10.001 6.442 1.00 0.00 N ATOM 261 CA ILE A 18 -5.439 9.356 5.897 1.00 0.00 C ATOM 262 C ILE A 18 -5.282 7.843 5.914 1.00 0.00 C ATOM 263 O ILE A 18 -4.181 7.316 6.127 1.00 0.00 O ATOM 264 CB ILE A 18 -5.737 9.824 4.449 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.508 9.630 3.558 1.00 0.00 C ATOM 266 CG2 ILE A 18 -6.190 11.280 4.436 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.770 9.883 2.088 1.00 0.00 C ATOM 0 H ILE A 18 -3.376 9.644 6.078 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.278 9.644 6.531 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.547 9.213 4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.717 10.299 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.139 8.612 3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.394 11.588 3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.096 11.385 5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.405 11.909 4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.852 9.725 1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.538 9.196 1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.109 10.910 1.950 1.00 0.00 H new ATOM 279 N ASN A 19 -6.373 7.142 5.701 1.00 0.00 N ATOM 280 CA ASN A 19 -6.365 5.693 5.692 1.00 0.00 C ATOM 281 C ASN A 19 -6.437 5.200 4.259 1.00 0.00 C ATOM 282 O ASN A 19 -7.335 5.582 3.509 1.00 0.00 O ATOM 283 CB ASN A 19 -7.576 5.121 6.442 1.00 0.00 C ATOM 284 CG ASN A 19 -8.003 5.914 7.662 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.623 5.605 8.786 1.00 0.00 O ATOM 286 ND2 ASN A 19 -8.795 6.937 7.447 1.00 0.00 N ATOM 0 H ASN A 19 -7.289 7.557 5.529 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.448 5.364 6.182 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.418 5.062 5.752 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.345 4.102 6.751 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.116 7.507 8.230 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.090 7.163 6.497 1.00 0.00 H new ATOM 293 N LEU A 20 -5.510 4.366 3.867 1.00 0.00 N ATOM 294 CA LEU A 20 -5.526 3.785 2.542 1.00 0.00 C ATOM 295 C LEU A 20 -5.651 2.285 2.663 1.00 0.00 C ATOM 296 O LEU A 20 -4.847 1.635 3.332 1.00 0.00 O ATOM 297 CB LEU A 20 -4.256 4.139 1.746 1.00 0.00 C ATOM 298 CG LEU A 20 -4.060 5.614 1.364 1.00 0.00 C ATOM 299 CD1 LEU A 20 -5.344 6.212 0.809 1.00 0.00 C ATOM 300 CD2 LEU A 20 -3.542 6.420 2.540 1.00 0.00 C ATOM 0 H LEU A 20 -4.727 4.069 4.449 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.378 4.195 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.391 3.823 2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.255 3.549 0.830 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.307 5.657 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.175 7.257 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.648 5.660 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.130 6.149 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.413 7.460 2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.256 6.365 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.584 6.015 2.865 1.00 0.00 H new ATOM 312 N LYS A 21 -6.649 1.725 2.038 1.00 0.00 N ATOM 313 CA LYS A 21 -6.856 0.301 2.103 1.00 0.00 C ATOM 314 C LYS A 21 -6.419 -0.358 0.818 1.00 0.00 C ATOM 315 O LYS A 21 -6.644 0.154 -0.255 1.00 0.00 O ATOM 316 CB LYS A 21 -8.313 -0.013 2.411 1.00 0.00 C ATOM 317 CG LYS A 21 -8.660 -1.488 2.314 1.00 0.00 C ATOM 318 CD LYS A 21 -9.900 -1.807 3.111 1.00 0.00 C ATOM 319 CE LYS A 21 -11.106 -1.016 2.620 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.304 -1.250 3.459 1.00 0.00 N ATOM 0 H LYS A 21 -7.334 2.231 1.477 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.246 -0.101 2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.545 0.339 3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.948 0.545 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.815 -1.761 1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.825 -2.086 2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.112 -2.874 3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.723 -1.585 4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.866 0.047 2.620 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.326 -1.293 1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.101 -0.693 3.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.550 -2.260 3.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.104 -0.961 4.438 1.00 0.00 H new ATOM 334 N VAL A 22 -5.806 -1.504 0.932 1.00 0.00 N ATOM 335 CA VAL A 22 -5.303 -2.210 -0.221 1.00 0.00 C ATOM 336 C VAL A 22 -6.068 -3.502 -0.414 1.00 0.00 C ATOM 337 O VAL A 22 -6.148 -4.327 0.489 1.00 0.00 O ATOM 338 CB VAL A 22 -3.797 -2.516 -0.086 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.282 -3.189 -1.336 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.013 -1.246 0.196 1.00 0.00 C ATOM 0 H VAL A 22 -5.640 -1.976 1.821 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.443 -1.567 -1.090 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.660 -3.195 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.218 -3.398 -1.225 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.821 -4.123 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.435 -2.532 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.954 -1.485 0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.156 -0.541 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.366 -0.800 1.126 1.00 0.00 H new ATOM 350 N ALA A 23 -6.616 -3.682 -1.597 1.00 0.00 N ATOM 351 CA ALA A 23 -7.414 -4.851 -1.909 1.00 0.00 C ATOM 352 C ALA A 23 -6.940 -5.487 -3.194 1.00 0.00 C ATOM 353 O ALA A 23 -6.907 -4.856 -4.251 1.00 0.00 O ATOM 354 CB ALA A 23 -8.887 -4.489 -2.004 1.00 0.00 C ATOM 0 H ALA A 23 -6.522 -3.023 -2.370 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.293 -5.573 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.467 -5.382 -2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.223 -4.078 -1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.029 -3.747 -2.790 1.00 0.00 H new ATOM 360 N GLY A 24 -6.563 -6.727 -3.111 1.00 0.00 N ATOM 361 CA GLY A 24 -6.085 -7.418 -4.277 1.00 0.00 C ATOM 362 C GLY A 24 -7.102 -8.380 -4.824 1.00 0.00 C ATOM 363 O GLY A 24 -7.886 -8.952 -4.075 1.00 0.00 O ATOM 0 H GLY A 24 -6.576 -7.281 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.824 -6.691 -5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.172 -7.960 -4.028 1.00 0.00 H new ATOM 367 N GLN A 25 -7.089 -8.581 -6.144 1.00 0.00 N ATOM 368 CA GLN A 25 -8.010 -9.522 -6.800 1.00 0.00 C ATOM 369 C GLN A 25 -7.803 -10.971 -6.322 1.00 0.00 C ATOM 370 O GLN A 25 -8.547 -11.875 -6.685 1.00 0.00 O ATOM 371 CB GLN A 25 -7.928 -9.428 -8.342 1.00 0.00 C ATOM 372 CG GLN A 25 -6.519 -9.250 -8.934 1.00 0.00 C ATOM 373 CD GLN A 25 -5.506 -10.261 -8.430 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.387 -11.354 -8.961 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.732 -9.872 -7.435 1.00 0.00 N ATOM 0 H GLN A 25 -6.451 -8.106 -6.783 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.016 -9.225 -6.503 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.366 -10.332 -8.765 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.546 -8.591 -8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.580 -9.323 -10.020 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.162 -8.247 -8.701 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.863 -8.951 -7.017 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.003 -10.493 -7.083 1.00 0.00 H new ATOM 384 N ASP A 26 -6.778 -11.176 -5.515 1.00 0.00 N ATOM 385 CA ASP A 26 -6.489 -12.473 -4.920 1.00 0.00 C ATOM 386 C ASP A 26 -7.427 -12.724 -3.746 1.00 0.00 C ATOM 387 O ASP A 26 -7.583 -13.849 -3.271 1.00 0.00 O ATOM 388 CB ASP A 26 -5.031 -12.501 -4.447 1.00 0.00 C ATOM 389 CG ASP A 26 -4.717 -13.667 -3.533 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.657 -14.819 -4.016 1.00 0.00 O ATOM 391 OD2 ASP A 26 -4.527 -13.435 -2.325 1.00 0.00 O ATOM 0 H ASP A 26 -6.118 -10.445 -5.251 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.641 -13.257 -5.662 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.375 -12.544 -5.317 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.808 -11.570 -3.926 1.00 0.00 H new ATOM 396 N GLY A 27 -8.087 -11.669 -3.307 1.00 0.00 N ATOM 397 CA GLY A 27 -8.961 -11.758 -2.161 1.00 0.00 C ATOM 398 C GLY A 27 -8.327 -11.161 -0.931 1.00 0.00 C ATOM 399 O GLY A 27 -8.996 -10.887 0.065 1.00 0.00 O ATOM 0 H GLY A 27 -8.032 -10.742 -3.729 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.897 -11.242 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.209 -12.802 -1.972 1.00 0.00 H new ATOM 403 N SER A 28 -7.027 -10.950 -0.994 1.00 0.00 N ATOM 404 CA SER A 28 -6.288 -10.389 0.109 1.00 0.00 C ATOM 405 C SER A 28 -6.513 -8.883 0.196 1.00 0.00 C ATOM 406 O SER A 28 -6.284 -8.153 -0.767 1.00 0.00 O ATOM 407 CB SER A 28 -4.800 -10.695 -0.056 1.00 0.00 C ATOM 408 OG SER A 28 -4.566 -12.101 -0.067 1.00 0.00 O ATOM 0 H SER A 28 -6.458 -11.164 -1.813 1.00 0.00 H new ATOM 0 HA SER A 28 -6.644 -10.841 1.035 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.435 -10.255 -0.984 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.238 -10.236 0.757 1.00 0.00 H new ATOM 0 HG SER A 28 -4.540 -12.421 -0.993 1.00 0.00 H new ATOM 414 N VAL A 29 -6.992 -8.419 1.333 1.00 0.00 N ATOM 415 CA VAL A 29 -7.222 -7.004 1.530 1.00 0.00 C ATOM 416 C VAL A 29 -6.867 -6.576 2.963 1.00 0.00 C ATOM 417 O VAL A 29 -7.167 -7.282 3.935 1.00 0.00 O ATOM 418 CB VAL A 29 -8.685 -6.609 1.165 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.691 -7.465 1.894 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.942 -5.138 1.428 1.00 0.00 C ATOM 0 H VAL A 29 -7.229 -9.003 2.135 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.560 -6.466 0.852 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.808 -6.788 0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.699 -7.160 1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.541 -8.511 1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.561 -7.344 2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -9.971 -4.895 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.779 -4.923 2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.261 -4.536 0.826 1.00 0.00 H new ATOM 430 N VAL A 30 -6.209 -5.423 3.086 1.00 0.00 N ATOM 431 CA VAL A 30 -5.753 -4.897 4.379 1.00 0.00 C ATOM 432 C VAL A 30 -5.899 -3.378 4.394 1.00 0.00 C ATOM 433 O VAL A 30 -5.828 -2.733 3.354 1.00 0.00 O ATOM 434 CB VAL A 30 -4.257 -5.238 4.660 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.881 -4.899 6.094 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.947 -6.688 4.363 1.00 0.00 C ATOM 0 H VAL A 30 -5.976 -4.825 2.293 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.369 -5.363 5.148 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.656 -4.625 3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.833 -5.146 6.264 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.035 -3.834 6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.505 -5.473 6.779 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.895 -6.885 4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.568 -7.328 4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.154 -6.897 3.313 1.00 0.00 H new ATOM 446 N GLN A 31 -6.109 -2.802 5.562 1.00 0.00 N ATOM 447 CA GLN A 31 -6.226 -1.361 5.687 1.00 0.00 C ATOM 448 C GLN A 31 -4.960 -0.790 6.330 1.00 0.00 C ATOM 449 O GLN A 31 -4.378 -1.406 7.224 1.00 0.00 O ATOM 450 CB GLN A 31 -7.472 -1.002 6.502 1.00 0.00 C ATOM 451 CG GLN A 31 -7.791 0.486 6.534 1.00 0.00 C ATOM 452 CD GLN A 31 -7.029 1.263 7.609 1.00 0.00 C ATOM 453 OE1 GLN A 31 -6.726 2.430 7.434 1.00 0.00 O ATOM 454 NE2 GLN A 31 -6.738 0.629 8.728 1.00 0.00 N ATOM 0 H GLN A 31 -6.202 -3.311 6.441 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.334 -0.920 4.696 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.328 -1.537 6.090 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.338 -1.355 7.524 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.564 0.917 5.559 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.861 0.614 6.697 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.005 -0.348 8.845 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.246 1.116 9.477 1.00 0.00 H new ATOM 463 N PHE A 32 -4.520 0.378 5.867 1.00 0.00 N ATOM 464 CA PHE A 32 -3.295 1.003 6.378 1.00 0.00 C ATOM 465 C PHE A 32 -3.517 2.472 6.625 1.00 0.00 C ATOM 466 O PHE A 32 -4.254 3.133 5.904 1.00 0.00 O ATOM 467 CB PHE A 32 -2.127 0.825 5.395 1.00 0.00 C ATOM 468 CG PHE A 32 -1.907 -0.589 4.943 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.702 -1.132 3.954 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.909 -1.371 5.501 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.520 -2.419 3.528 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.717 -2.669 5.077 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.524 -3.194 4.089 1.00 0.00 C ATOM 0 H PHE A 32 -4.992 0.914 5.138 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.042 0.509 7.316 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.306 1.450 4.520 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.214 1.190 5.865 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.481 -0.531 3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.276 -0.961 6.274 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.154 -2.828 2.755 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.063 -3.273 5.517 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.377 -4.210 3.754 1.00 0.00 H new ATOM 483 N LYS A 33 -2.863 2.994 7.626 1.00 0.00 N ATOM 484 CA LYS A 33 -3.029 4.372 7.986 1.00 0.00 C ATOM 485 C LYS A 33 -1.692 5.103 7.927 1.00 0.00 C ATOM 486 O LYS A 33 -0.773 4.813 8.700 1.00 0.00 O ATOM 487 CB LYS A 33 -3.618 4.440 9.381 1.00 0.00 C ATOM 488 CG LYS A 33 -4.567 5.582 9.572 1.00 0.00 C ATOM 489 CD LYS A 33 -5.322 5.473 10.892 1.00 0.00 C ATOM 490 CE LYS A 33 -4.386 5.256 12.069 1.00 0.00 C ATOM 491 NZ LYS A 33 -5.097 5.347 13.368 1.00 0.00 N ATOM 0 H LYS A 33 -2.205 2.479 8.211 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.703 4.860 7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.138 3.506 9.593 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.808 4.526 10.105 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.016 6.522 9.545 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.279 5.606 8.747 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.902 6.381 11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.031 4.647 10.836 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.914 4.277 11.982 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.588 5.998 12.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.422 5.193 14.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.526 6.290 13.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.842 4.622 13.408 1.00 0.00 H new ATOM 505 N ILE A 34 -1.570 6.051 7.002 1.00 0.00 N ATOM 506 CA ILE A 34 -0.327 6.798 6.827 1.00 0.00 C ATOM 507 C ILE A 34 -0.595 8.293 6.688 1.00 0.00 C ATOM 508 O ILE A 34 -1.743 8.738 6.681 1.00 0.00 O ATOM 509 CB ILE A 34 0.482 6.313 5.592 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.357 6.431 4.315 1.00 0.00 C ATOM 511 CG2 ILE A 34 0.971 4.881 5.791 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.407 6.105 3.047 1.00 0.00 C ATOM 0 H ILE A 34 -2.317 6.321 6.362 1.00 0.00 H new ATOM 0 HA ILE A 34 0.265 6.615 7.723 1.00 0.00 H new ATOM 0 HB ILE A 34 1.356 6.955 5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.215 5.763 4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.748 7.446 4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.535 4.564 4.914 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.613 4.835 6.671 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.115 4.220 5.931 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.254 6.211 2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.250 6.789 2.944 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.775 5.080 3.097 1.00 0.00 H new ATOM 524 N LYS A 35 0.463 9.066 6.571 1.00 0.00 N ATOM 525 CA LYS A 35 0.360 10.506 6.441 1.00 0.00 C ATOM 526 C LYS A 35 0.173 10.885 4.965 1.00 0.00 C ATOM 527 O LYS A 35 0.619 10.168 4.074 1.00 0.00 O ATOM 528 CB LYS A 35 1.631 11.154 7.018 1.00 0.00 C ATOM 529 CG LYS A 35 1.441 12.539 7.610 1.00 0.00 C ATOM 530 CD LYS A 35 1.536 13.641 6.569 1.00 0.00 C ATOM 531 CE LYS A 35 1.379 15.006 7.214 1.00 0.00 C ATOM 532 NZ LYS A 35 1.403 16.107 6.217 1.00 0.00 N ATOM 0 H LYS A 35 1.421 8.715 6.563 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.505 10.869 6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.035 10.499 7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.379 11.214 6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.468 12.590 8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.194 12.707 8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.497 13.583 6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.764 13.500 5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.439 15.039 7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.179 15.157 7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.412 17.022 6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.256 16.023 5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.558 16.048 5.614 1.00 0.00 H new ATOM 546 N ARG A 36 -0.484 12.016 4.713 1.00 0.00 N ATOM 547 CA ARG A 36 -0.740 12.506 3.349 1.00 0.00 C ATOM 548 C ARG A 36 0.573 12.766 2.579 1.00 0.00 C ATOM 549 O ARG A 36 0.592 12.804 1.351 1.00 0.00 O ATOM 550 CB ARG A 36 -1.582 13.796 3.426 1.00 0.00 C ATOM 551 CG ARG A 36 -1.801 14.514 2.099 1.00 0.00 C ATOM 552 CD ARG A 36 -2.711 13.730 1.175 1.00 0.00 C ATOM 553 NE ARG A 36 -4.079 13.648 1.688 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.146 13.374 0.936 1.00 0.00 C ATOM 555 NH1 ARG A 36 -5.019 13.235 -0.378 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.345 13.276 1.498 1.00 0.00 N ATOM 0 H ARG A 36 -0.856 12.622 5.444 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.287 11.738 2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.555 13.550 3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.097 14.485 4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.233 15.497 2.285 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.840 14.675 1.611 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.721 14.200 0.192 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.313 12.724 1.043 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.226 13.811 2.684 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.103 13.338 -0.816 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.837 13.025 -0.950 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.449 13.410 2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.162 13.067 0.924 1.00 0.00 H new ATOM 570 N HIS A 37 1.674 12.907 3.302 1.00 0.00 N ATOM 571 CA HIS A 37 2.965 13.195 2.689 1.00 0.00 C ATOM 572 C HIS A 37 3.854 11.954 2.756 1.00 0.00 C ATOM 573 O HIS A 37 4.970 11.934 2.242 1.00 0.00 O ATOM 574 CB HIS A 37 3.628 14.372 3.424 1.00 0.00 C ATOM 575 CG HIS A 37 4.849 14.937 2.750 1.00 0.00 C ATOM 576 ND1 HIS A 37 4.789 15.895 1.764 1.00 0.00 N ATOM 577 CD2 HIS A 37 6.166 14.685 2.945 1.00 0.00 C ATOM 578 CE1 HIS A 37 6.011 16.207 1.381 1.00 0.00 C ATOM 579 NE2 HIS A 37 6.864 15.487 2.082 1.00 0.00 N ATOM 0 H HIS A 37 1.700 12.826 4.318 1.00 0.00 H new ATOM 0 HA HIS A 37 2.824 13.466 1.643 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.893 15.169 3.539 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.903 14.046 4.427 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.587 13.983 3.649 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.270 16.930 0.622 1.00 0.00 H new ATOM 0 HE2 HIS A 37 7.880 15.522 1.996 1.00 0.00 H new ATOM 588 N THR A 38 3.346 10.917 3.388 1.00 0.00 N ATOM 589 CA THR A 38 4.062 9.676 3.541 1.00 0.00 C ATOM 590 C THR A 38 3.889 8.808 2.292 1.00 0.00 C ATOM 591 O THR A 38 2.780 8.644 1.805 1.00 0.00 O ATOM 592 CB THR A 38 3.560 8.919 4.793 1.00 0.00 C ATOM 593 OG1 THR A 38 4.001 9.594 5.981 1.00 0.00 O ATOM 594 CG2 THR A 38 4.053 7.489 4.804 1.00 0.00 C ATOM 0 H THR A 38 2.418 10.915 3.812 1.00 0.00 H new ATOM 0 HA THR A 38 5.122 9.897 3.669 1.00 0.00 H new ATOM 0 HB THR A 38 2.470 8.903 4.764 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.679 9.111 6.770 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.683 6.984 5.696 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.688 6.972 3.917 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.143 7.480 4.807 1.00 0.00 H new ATOM 602 N PRO A 39 4.991 8.253 1.760 1.00 0.00 N ATOM 603 CA PRO A 39 4.953 7.430 0.548 1.00 0.00 C ATOM 604 C PRO A 39 4.172 6.132 0.737 1.00 0.00 C ATOM 605 O PRO A 39 4.122 5.565 1.835 1.00 0.00 O ATOM 606 CB PRO A 39 6.432 7.136 0.264 1.00 0.00 C ATOM 607 CG PRO A 39 7.111 7.303 1.579 1.00 0.00 C ATOM 608 CD PRO A 39 6.356 8.378 2.301 1.00 0.00 C ATOM 0 HA PRO A 39 4.443 7.942 -0.268 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.567 6.127 -0.126 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.836 7.822 -0.480 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.100 6.371 2.145 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.156 7.583 1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.376 8.229 3.381 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.777 9.365 2.108 1.00 0.00 H new ATOM 616 N LEU A 40 3.566 5.657 -0.340 1.00 0.00 N ATOM 617 CA LEU A 40 2.780 4.433 -0.326 1.00 0.00 C ATOM 618 C LEU A 40 3.637 3.206 -0.045 1.00 0.00 C ATOM 619 O LEU A 40 3.115 2.138 0.260 1.00 0.00 O ATOM 620 CB LEU A 40 2.013 4.246 -1.637 1.00 0.00 C ATOM 621 CG LEU A 40 0.993 5.336 -1.982 1.00 0.00 C ATOM 622 CD1 LEU A 40 0.121 4.894 -3.136 1.00 0.00 C ATOM 623 CD2 LEU A 40 0.138 5.685 -0.772 1.00 0.00 C ATOM 0 H LEU A 40 3.606 6.112 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 40 2.062 4.536 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.735 4.182 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.492 3.289 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 40 1.539 6.231 -2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.599 5.679 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.744 4.701 -4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.411 3.983 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.578 6.461 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.399 4.797 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.777 6.047 0.033 1.00 0.00 H new ATOM 635 N SER A 41 4.956 3.361 -0.141 1.00 0.00 N ATOM 636 CA SER A 41 5.893 2.257 0.024 1.00 0.00 C ATOM 637 C SER A 41 5.675 1.566 1.351 1.00 0.00 C ATOM 638 O SER A 41 5.832 0.343 1.474 1.00 0.00 O ATOM 639 CB SER A 41 7.318 2.790 -0.056 1.00 0.00 C ATOM 640 OG SER A 41 7.477 3.910 0.799 1.00 0.00 O ATOM 0 H SER A 41 5.403 4.257 -0.336 1.00 0.00 H new ATOM 0 HA SER A 41 5.727 1.530 -0.771 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.022 2.007 0.226 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.550 3.073 -1.083 1.00 0.00 H new ATOM 0 HG SER A 41 8.398 4.240 0.738 1.00 0.00 H new ATOM 646 N LYS A 42 5.306 2.356 2.346 1.00 0.00 N ATOM 647 CA LYS A 42 5.040 1.862 3.676 1.00 0.00 C ATOM 648 C LYS A 42 3.980 0.772 3.640 1.00 0.00 C ATOM 649 O LYS A 42 4.215 -0.354 4.065 1.00 0.00 O ATOM 650 CB LYS A 42 4.535 3.020 4.539 1.00 0.00 C ATOM 651 CG LYS A 42 5.402 4.279 4.479 1.00 0.00 C ATOM 652 CD LYS A 42 6.743 4.084 5.157 1.00 0.00 C ATOM 653 CE LYS A 42 6.555 3.761 6.617 1.00 0.00 C ATOM 654 NZ LYS A 42 7.838 3.723 7.363 1.00 0.00 N ATOM 0 H LYS A 42 5.183 3.364 2.247 1.00 0.00 H new ATOM 0 HA LYS A 42 5.958 1.446 4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.523 3.276 4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.473 2.685 5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.561 4.559 3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.873 5.105 4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.291 3.278 4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.344 4.987 5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.898 4.505 7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.056 2.797 6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.653 3.497 8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.457 2.995 6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.304 4.650 7.299 1.00 0.00 H new ATOM 668 N LEU A 43 2.825 1.093 3.079 1.00 0.00 N ATOM 669 CA LEU A 43 1.731 0.143 3.008 1.00 0.00 C ATOM 670 C LEU A 43 1.939 -0.880 1.916 1.00 0.00 C ATOM 671 O LEU A 43 1.529 -2.021 2.043 1.00 0.00 O ATOM 672 CB LEU A 43 0.367 0.854 2.858 1.00 0.00 C ATOM 673 CG LEU A 43 0.156 1.772 1.634 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.069 0.972 0.353 1.00 0.00 C ATOM 675 CD2 LEU A 43 -1.022 2.675 1.881 1.00 0.00 C ATOM 0 H LEU A 43 2.623 2.004 2.667 1.00 0.00 H new ATOM 0 HA LEU A 43 1.720 -0.395 3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.408 0.088 2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.202 1.451 3.755 1.00 0.00 H new ATOM 0 HG LEU A 43 1.062 2.363 1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.213 1.657 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.799 0.342 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.954 0.346 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.171 3.323 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.916 2.072 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.834 3.285 2.764 1.00 0.00 H new ATOM 687 N MET A 44 2.582 -0.464 0.838 1.00 0.00 N ATOM 688 CA MET A 44 2.772 -1.320 -0.311 1.00 0.00 C ATOM 689 C MET A 44 3.603 -2.536 0.050 1.00 0.00 C ATOM 690 O MET A 44 3.187 -3.677 -0.163 1.00 0.00 O ATOM 691 CB MET A 44 3.422 -0.530 -1.448 1.00 0.00 C ATOM 692 CG MET A 44 3.254 -1.167 -2.810 1.00 0.00 C ATOM 693 SD MET A 44 3.848 -0.124 -4.154 1.00 0.00 S ATOM 694 CE MET A 44 2.700 1.254 -4.043 1.00 0.00 C ATOM 0 H MET A 44 2.982 0.469 0.739 1.00 0.00 H new ATOM 0 HA MET A 44 1.798 -1.675 -0.646 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.995 0.473 -1.471 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.486 -0.419 -1.238 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.790 -2.116 -2.830 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.200 -1.393 -2.972 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.678 1.787 -4.994 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.702 0.879 -3.814 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.022 1.933 -3.254 1.00 0.00 H new ATOM 704 N LYS A 45 4.768 -2.302 0.619 1.00 0.00 N ATOM 705 CA LYS A 45 5.628 -3.385 1.022 1.00 0.00 C ATOM 706 C LYS A 45 5.080 -4.107 2.254 1.00 0.00 C ATOM 707 O LYS A 45 5.229 -5.312 2.391 1.00 0.00 O ATOM 708 CB LYS A 45 7.052 -2.896 1.231 1.00 0.00 C ATOM 709 CG LYS A 45 7.614 -2.216 -0.011 1.00 0.00 C ATOM 710 CD LYS A 45 9.126 -2.197 -0.026 1.00 0.00 C ATOM 711 CE LYS A 45 9.702 -3.596 -0.175 1.00 0.00 C ATOM 712 NZ LYS A 45 11.182 -3.583 -0.271 1.00 0.00 N ATOM 0 H LYS A 45 5.137 -1.371 0.811 1.00 0.00 H new ATOM 0 HA LYS A 45 5.651 -4.117 0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.076 -2.198 2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.688 -3.739 1.501 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.251 -2.733 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.240 -1.193 -0.062 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.474 -1.570 -0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.494 -1.748 0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.400 -4.205 0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.286 -4.066 -1.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.532 -4.557 -0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.471 -3.024 -1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.582 -3.159 0.590 1.00 0.00 H new ATOM 726 N ALA A 46 4.412 -3.374 3.144 1.00 0.00 N ATOM 727 CA ALA A 46 3.817 -3.981 4.326 1.00 0.00 C ATOM 728 C ALA A 46 2.723 -4.959 3.927 1.00 0.00 C ATOM 729 O ALA A 46 2.636 -6.062 4.465 1.00 0.00 O ATOM 730 CB ALA A 46 3.261 -2.923 5.257 1.00 0.00 C ATOM 0 H ALA A 46 4.272 -2.367 3.067 1.00 0.00 H new ATOM 0 HA ALA A 46 4.598 -4.525 4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.822 -3.403 6.132 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.064 -2.257 5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.496 -2.347 4.737 1.00 0.00 H new ATOM 736 N TYR A 47 1.883 -4.553 2.970 1.00 0.00 N ATOM 737 CA TYR A 47 0.807 -5.396 2.472 1.00 0.00 C ATOM 738 C TYR A 47 1.347 -6.713 1.934 1.00 0.00 C ATOM 739 O TYR A 47 0.871 -7.784 2.310 1.00 0.00 O ATOM 740 CB TYR A 47 -0.002 -4.660 1.376 1.00 0.00 C ATOM 741 CG TYR A 47 -0.952 -5.552 0.581 1.00 0.00 C ATOM 742 CD1 TYR A 47 -0.508 -6.258 -0.537 1.00 0.00 C ATOM 743 CD2 TYR A 47 -2.288 -5.683 0.945 1.00 0.00 C ATOM 744 CE1 TYR A 47 -1.361 -7.062 -1.264 1.00 0.00 C ATOM 745 CE2 TYR A 47 -3.152 -6.487 0.219 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.678 -7.175 -0.886 1.00 0.00 C ATOM 747 OH TYR A 47 -3.526 -7.977 -1.614 1.00 0.00 O ATOM 0 H TYR A 47 1.934 -3.636 2.525 1.00 0.00 H new ATOM 0 HA TYR A 47 0.142 -5.616 3.307 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.579 -3.862 1.843 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.695 -4.187 0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.525 -6.173 -0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.658 -5.149 1.808 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.996 -7.600 -2.126 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.187 -6.577 0.512 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.422 -7.951 -1.218 1.00 0.00 H new ATOM 757 N CYS A 48 2.351 -6.645 1.065 1.00 0.00 N ATOM 758 CA CYS A 48 2.901 -7.853 0.466 1.00 0.00 C ATOM 759 C CYS A 48 3.483 -8.775 1.535 1.00 0.00 C ATOM 760 O CYS A 48 3.338 -9.989 1.469 1.00 0.00 O ATOM 761 CB CYS A 48 3.959 -7.515 -0.601 1.00 0.00 C ATOM 762 SG CYS A 48 5.557 -6.957 0.042 1.00 0.00 S ATOM 0 H CYS A 48 2.795 -5.777 0.764 1.00 0.00 H new ATOM 0 HA CYS A 48 2.085 -8.379 -0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.123 -8.398 -1.219 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.558 -6.740 -1.254 1.00 0.00 H new ATOM 0 HG CYS A 48 5.382 -6.365 1.186 1.00 0.00 H new ATOM 768 N GLU A 49 4.094 -8.191 2.549 1.00 0.00 N ATOM 769 CA GLU A 49 4.711 -8.954 3.615 1.00 0.00 C ATOM 770 C GLU A 49 3.675 -9.669 4.488 1.00 0.00 C ATOM 771 O GLU A 49 3.862 -10.820 4.878 1.00 0.00 O ATOM 772 CB GLU A 49 5.601 -8.044 4.462 1.00 0.00 C ATOM 773 CG GLU A 49 6.818 -7.540 3.713 1.00 0.00 C ATOM 774 CD GLU A 49 7.830 -6.881 4.615 1.00 0.00 C ATOM 775 OE1 GLU A 49 8.669 -7.597 5.188 1.00 0.00 O ATOM 776 OE2 GLU A 49 7.804 -5.643 4.746 1.00 0.00 O ATOM 0 H GLU A 49 4.176 -7.180 2.656 1.00 0.00 H new ATOM 0 HA GLU A 49 5.326 -9.728 3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.015 -7.192 4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.927 -8.587 5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.290 -8.374 3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.500 -6.829 2.951 1.00 0.00 H new ATOM 783 N ARG A 50 2.570 -9.003 4.778 1.00 0.00 N ATOM 784 CA ARG A 50 1.538 -9.579 5.635 1.00 0.00 C ATOM 785 C ARG A 50 0.584 -10.485 4.859 1.00 0.00 C ATOM 786 O ARG A 50 -0.035 -11.375 5.428 1.00 0.00 O ATOM 787 CB ARG A 50 0.761 -8.473 6.359 1.00 0.00 C ATOM 788 CG ARG A 50 0.164 -7.429 5.436 1.00 0.00 C ATOM 789 CD ARG A 50 -0.347 -6.232 6.210 1.00 0.00 C ATOM 790 NE ARG A 50 0.700 -5.620 7.037 1.00 0.00 N ATOM 791 CZ ARG A 50 0.478 -4.667 7.951 1.00 0.00 C ATOM 792 NH1 ARG A 50 -0.759 -4.245 8.193 1.00 0.00 N ATOM 793 NH2 ARG A 50 1.493 -4.159 8.638 1.00 0.00 N ATOM 0 H ARG A 50 2.361 -8.065 4.435 1.00 0.00 H new ATOM 0 HA ARG A 50 2.042 -10.200 6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.040 -8.928 6.941 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.427 -7.979 7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.916 -7.105 4.717 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.653 -7.871 4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.737 -5.490 5.513 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.177 -6.540 6.846 1.00 0.00 H new ATOM 0 HE ARG A 50 1.659 -5.942 6.907 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.544 -4.647 7.681 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.923 -3.519 8.890 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.441 -4.494 8.470 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.325 -3.433 9.334 1.00 0.00 H new ATOM 807 N GLN A 51 0.458 -10.260 3.558 1.00 0.00 N ATOM 808 CA GLN A 51 -0.442 -11.068 2.737 1.00 0.00 C ATOM 809 C GLN A 51 0.297 -12.208 2.060 1.00 0.00 C ATOM 810 O GLN A 51 -0.314 -13.131 1.515 1.00 0.00 O ATOM 811 CB GLN A 51 -1.163 -10.203 1.708 1.00 0.00 C ATOM 812 CG GLN A 51 -2.086 -9.177 2.334 1.00 0.00 C ATOM 813 CD GLN A 51 -3.018 -9.789 3.364 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.129 -10.206 3.049 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.559 -9.854 4.598 1.00 0.00 N ATOM 0 H GLN A 51 0.961 -9.533 3.050 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.189 -11.505 3.400 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.424 -9.690 1.092 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.741 -10.845 1.044 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.490 -8.396 2.806 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.676 -8.699 1.553 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.629 -9.495 4.816 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.133 -10.263 5.335 1.00 0.00 H new ATOM 824 N GLY A 52 1.610 -12.154 2.107 1.00 0.00 N ATOM 825 CA GLY A 52 2.424 -13.188 1.503 1.00 0.00 C ATOM 826 C GLY A 52 2.551 -13.023 0.002 1.00 0.00 C ATOM 827 O GLY A 52 2.493 -13.995 -0.744 1.00 0.00 O ATOM 0 H GLY A 52 2.137 -11.406 2.557 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.417 -13.173 1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.989 -14.163 1.723 1.00 0.00 H new ATOM 831 N LEU A 53 2.730 -11.793 -0.439 1.00 0.00 N ATOM 832 CA LEU A 53 2.875 -11.483 -1.855 1.00 0.00 C ATOM 833 C LEU A 53 4.249 -10.885 -2.127 1.00 0.00 C ATOM 834 O LEU A 53 4.902 -10.369 -1.229 1.00 0.00 O ATOM 835 CB LEU A 53 1.792 -10.490 -2.324 1.00 0.00 C ATOM 836 CG LEU A 53 0.414 -11.065 -2.707 1.00 0.00 C ATOM 837 CD1 LEU A 53 0.546 -12.215 -3.686 1.00 0.00 C ATOM 838 CD2 LEU A 53 -0.372 -11.482 -1.483 1.00 0.00 C ATOM 0 H LEU A 53 2.780 -10.977 0.172 1.00 0.00 H new ATOM 0 HA LEU A 53 2.761 -12.415 -2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.642 -9.758 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.182 -9.950 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.142 -10.269 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.444 -12.597 -3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.039 -11.866 -4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.139 -13.011 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.338 -11.883 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.182 -12.247 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.526 -10.617 -0.838 1.00 0.00 H new ATOM 850 N SER A 54 4.692 -10.964 -3.364 1.00 0.00 N ATOM 851 CA SER A 54 5.966 -10.398 -3.758 1.00 0.00 C ATOM 852 C SER A 54 5.777 -9.129 -4.579 1.00 0.00 C ATOM 853 O SER A 54 5.008 -9.111 -5.528 1.00 0.00 O ATOM 854 CB SER A 54 6.753 -11.416 -4.559 1.00 0.00 C ATOM 855 OG SER A 54 7.328 -12.395 -3.719 1.00 0.00 O ATOM 0 H SER A 54 4.183 -11.420 -4.121 1.00 0.00 H new ATOM 0 HA SER A 54 6.516 -10.137 -2.854 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.097 -11.896 -5.285 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.537 -10.911 -5.123 1.00 0.00 H new ATOM 0 HG SER A 54 7.828 -13.039 -4.262 1.00 0.00 H new ATOM 861 N MET A 55 6.512 -8.072 -4.221 1.00 0.00 N ATOM 862 CA MET A 55 6.432 -6.763 -4.913 1.00 0.00 C ATOM 863 C MET A 55 6.681 -6.899 -6.421 1.00 0.00 C ATOM 864 O MET A 55 6.172 -6.123 -7.216 1.00 0.00 O ATOM 865 CB MET A 55 7.464 -5.788 -4.322 1.00 0.00 C ATOM 866 CG MET A 55 7.328 -5.554 -2.826 1.00 0.00 C ATOM 867 SD MET A 55 5.826 -4.658 -2.384 1.00 0.00 S ATOM 868 CE MET A 55 6.068 -3.118 -3.261 1.00 0.00 C ATOM 0 H MET A 55 7.178 -8.089 -3.449 1.00 0.00 H new ATOM 0 HA MET A 55 5.423 -6.379 -4.763 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.464 -6.169 -4.528 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.376 -4.831 -4.836 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.335 -6.515 -2.312 1.00 0.00 H new ATOM 0 HG3 MET A 55 8.195 -4.996 -2.471 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.835 -2.283 -2.601 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.105 -3.044 -3.587 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.411 -3.087 -4.131 1.00 0.00 H new ATOM 878 N ARG A 56 7.469 -7.892 -6.802 1.00 0.00 N ATOM 879 CA ARG A 56 7.829 -8.105 -8.202 1.00 0.00 C ATOM 880 C ARG A 56 6.752 -8.898 -8.933 1.00 0.00 C ATOM 881 O ARG A 56 6.556 -8.752 -10.133 1.00 0.00 O ATOM 882 CB ARG A 56 9.176 -8.838 -8.310 1.00 0.00 C ATOM 883 CG ARG A 56 10.346 -8.105 -7.658 1.00 0.00 C ATOM 884 CD ARG A 56 10.343 -8.249 -6.143 1.00 0.00 C ATOM 885 NE ARG A 56 10.568 -9.625 -5.703 1.00 0.00 N ATOM 886 CZ ARG A 56 10.873 -9.972 -4.447 1.00 0.00 C ATOM 887 NH1 ARG A 56 11.082 -9.034 -3.523 1.00 0.00 N ATOM 888 NH2 ARG A 56 10.999 -11.250 -4.126 1.00 0.00 N ATOM 0 H ARG A 56 7.876 -8.570 -6.158 1.00 0.00 H new ATOM 0 HA ARG A 56 7.917 -7.125 -8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.078 -9.822 -7.851 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.405 -8.999 -9.363 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.283 -8.494 -8.056 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.302 -7.048 -7.921 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.115 -7.607 -5.720 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.388 -7.899 -5.751 1.00 0.00 H new ATOM 0 HE ARG A 56 10.487 -10.368 -6.397 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.010 -8.048 -3.772 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.314 -9.303 -2.567 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.864 -11.970 -4.836 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.231 -11.515 -3.169 1.00 0.00 H new ATOM 902 N GLN A 57 6.046 -9.734 -8.193 1.00 0.00 N ATOM 903 CA GLN A 57 5.010 -10.581 -8.758 1.00 0.00 C ATOM 904 C GLN A 57 3.654 -9.912 -8.677 1.00 0.00 C ATOM 905 O GLN A 57 2.669 -10.409 -9.206 1.00 0.00 O ATOM 906 CB GLN A 57 4.977 -11.924 -8.037 1.00 0.00 C ATOM 907 CG GLN A 57 6.062 -12.883 -8.479 1.00 0.00 C ATOM 908 CD GLN A 57 7.209 -12.924 -7.527 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.221 -13.713 -6.591 1.00 0.00 O ATOM 910 NE2 GLN A 57 8.180 -12.087 -7.757 1.00 0.00 N ATOM 0 H GLN A 57 6.174 -9.845 -7.187 1.00 0.00 H new ATOM 0 HA GLN A 57 5.244 -10.747 -9.810 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.072 -11.752 -6.965 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.005 -12.390 -8.201 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.640 -13.883 -8.578 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.422 -12.590 -9.465 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.125 -11.448 -8.550 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.995 -12.071 -7.144 1.00 0.00 H new ATOM 919 N ILE A 58 3.591 -8.788 -7.997 1.00 0.00 N ATOM 920 CA ILE A 58 2.339 -8.063 -7.870 1.00 0.00 C ATOM 921 C ILE A 58 2.493 -6.628 -8.337 1.00 0.00 C ATOM 922 O ILE A 58 3.598 -6.164 -8.594 1.00 0.00 O ATOM 923 CB ILE A 58 1.811 -8.066 -6.410 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.649 -7.129 -5.524 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.833 -9.482 -5.855 1.00 0.00 C ATOM 926 CD1 ILE A 58 2.119 -6.980 -4.112 1.00 0.00 C ATOM 0 H ILE A 58 4.385 -8.356 -7.525 1.00 0.00 H new ATOM 0 HA ILE A 58 1.616 -8.579 -8.502 1.00 0.00 H new ATOM 0 HB ILE A 58 0.784 -7.701 -6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.671 -7.505 -5.480 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.691 -6.145 -5.991 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.461 -9.477 -4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.199 -10.123 -6.468 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.854 -9.862 -5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.764 -6.304 -3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.108 -6.574 -4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.103 -7.955 -3.625 1.00 0.00 H new ATOM 938 N ARG A 59 1.384 -5.929 -8.458 1.00 0.00 N ATOM 939 CA ARG A 59 1.408 -4.538 -8.837 1.00 0.00 C ATOM 940 C ARG A 59 0.233 -3.811 -8.225 1.00 0.00 C ATOM 941 O ARG A 59 -0.896 -4.315 -8.216 1.00 0.00 O ATOM 942 CB ARG A 59 1.401 -4.365 -10.361 1.00 0.00 C ATOM 943 CG ARG A 59 1.551 -2.912 -10.813 1.00 0.00 C ATOM 944 CD ARG A 59 2.902 -2.339 -10.398 1.00 0.00 C ATOM 945 NE ARG A 59 3.035 -0.914 -10.731 1.00 0.00 N ATOM 946 CZ ARG A 59 3.614 -0.451 -11.846 1.00 0.00 C ATOM 947 NH1 ARG A 59 4.072 -1.299 -12.760 1.00 0.00 N ATOM 948 NH2 ARG A 59 3.729 0.861 -12.042 1.00 0.00 N ATOM 0 H ARG A 59 0.450 -6.307 -8.297 1.00 0.00 H new ATOM 0 HA ARG A 59 2.335 -4.108 -8.459 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.211 -4.955 -10.789 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.469 -4.766 -10.760 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.446 -2.853 -11.896 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.751 -2.310 -10.382 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.035 -2.472 -9.324 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.697 -2.899 -10.890 1.00 0.00 H new ATOM 0 HE ARG A 59 2.662 -0.233 -10.070 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.983 -2.304 -12.613 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.513 -0.945 -13.609 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.376 1.514 -11.343 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.170 1.213 -12.892 1.00 0.00 H new ATOM 962 N PHE A 60 0.502 -2.643 -7.694 1.00 0.00 N ATOM 963 CA PHE A 60 -0.513 -1.806 -7.105 1.00 0.00 C ATOM 964 C PHE A 60 -1.102 -0.880 -8.160 1.00 0.00 C ATOM 965 O PHE A 60 -0.377 -0.326 -8.992 1.00 0.00 O ATOM 966 CB PHE A 60 0.091 -0.989 -5.966 1.00 0.00 C ATOM 967 CG PHE A 60 0.191 -1.717 -4.656 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.863 -2.929 -4.553 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.392 -1.185 -3.524 1.00 0.00 C ATOM 970 CE1 PHE A 60 0.941 -3.589 -3.341 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.315 -1.833 -2.316 1.00 0.00 C ATOM 972 CZ PHE A 60 0.347 -3.037 -2.220 1.00 0.00 C ATOM 0 H PHE A 60 1.440 -2.244 -7.659 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.310 -2.435 -6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.088 -0.661 -6.261 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.510 -0.091 -5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.328 -3.359 -5.428 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.917 -0.244 -3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.463 -4.532 -3.269 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.774 -1.398 -1.440 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.402 -3.549 -1.271 1.00 0.00 H new ATOM 982 N ARG A 61 -2.411 -0.725 -8.151 1.00 0.00 N ATOM 983 CA ARG A 61 -3.090 0.141 -9.094 1.00 0.00 C ATOM 984 C ARG A 61 -4.171 0.957 -8.392 1.00 0.00 C ATOM 985 O ARG A 61 -4.836 0.480 -7.479 1.00 0.00 O ATOM 986 CB ARG A 61 -3.702 -0.690 -10.231 1.00 0.00 C ATOM 987 CG ARG A 61 -4.583 0.107 -11.177 1.00 0.00 C ATOM 988 CD ARG A 61 -5.133 -0.750 -12.300 1.00 0.00 C ATOM 989 NE ARG A 61 -4.083 -1.221 -13.207 1.00 0.00 N ATOM 990 CZ ARG A 61 -4.313 -1.658 -14.447 1.00 0.00 C ATOM 991 NH1 ARG A 61 -5.555 -1.719 -14.912 1.00 0.00 N ATOM 992 NH2 ARG A 61 -3.302 -2.044 -15.213 1.00 0.00 N ATOM 0 H ARG A 61 -3.032 -1.194 -7.492 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.360 0.831 -9.517 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.897 -1.151 -10.803 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.290 -1.499 -9.799 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.409 0.547 -10.619 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.009 0.932 -11.599 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.656 -1.608 -11.877 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.868 -0.176 -12.865 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.120 -1.215 -12.871 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.335 -1.432 -14.321 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.729 -2.053 -15.860 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.348 -2.007 -14.855 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.479 -2.378 -16.161 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.332 2.191 -8.810 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.333 3.074 -8.249 1.00 0.00 C ATOM 1008 C PHE A 62 -5.765 4.058 -9.313 1.00 0.00 C ATOM 1009 O PHE A 62 -4.937 4.527 -10.085 1.00 0.00 O ATOM 1010 CB PHE A 62 -4.756 3.824 -7.037 1.00 0.00 C ATOM 1011 CG PHE A 62 -5.730 4.757 -6.363 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -6.575 4.293 -5.374 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -5.795 6.096 -6.720 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -7.468 5.143 -4.752 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -6.685 6.951 -6.101 1.00 0.00 C ATOM 1016 CZ PHE A 62 -7.523 6.474 -5.116 1.00 0.00 C ATOM 0 H PHE A 62 -3.772 2.614 -9.550 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.192 2.492 -7.916 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.405 3.095 -6.307 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.886 4.397 -7.359 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.537 3.253 -5.084 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.141 6.474 -7.492 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.124 4.767 -3.981 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.725 7.991 -6.388 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.221 7.140 -4.630 1.00 0.00 H new ATOM 1026 N ASP A 63 -7.072 4.339 -9.396 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.610 5.319 -10.361 1.00 0.00 C ATOM 1028 C ASP A 63 -7.499 4.781 -11.773 1.00 0.00 C ATOM 1029 O ASP A 63 -7.452 5.532 -12.748 1.00 0.00 O ATOM 1030 CB ASP A 63 -6.860 6.649 -10.253 1.00 0.00 C ATOM 1031 CG ASP A 63 -7.675 7.828 -10.744 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -8.803 8.029 -10.245 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -7.190 8.573 -11.616 1.00 0.00 O ATOM 0 H ASP A 63 -7.781 3.903 -8.807 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.661 5.489 -10.125 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.577 6.817 -9.214 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.937 6.587 -10.829 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.472 3.467 -11.887 1.00 0.00 N ATOM 1039 CA GLY A 64 -7.351 2.840 -13.175 1.00 0.00 C ATOM 1040 C GLY A 64 -5.925 2.823 -13.680 1.00 0.00 C ATOM 1041 O GLY A 64 -5.647 2.283 -14.750 1.00 0.00 O ATOM 0 H GLY A 64 -7.533 2.820 -11.101 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.724 1.817 -13.114 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.981 3.366 -13.892 1.00 0.00 H new ATOM 1045 N GLN A 65 -5.001 3.396 -12.917 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.608 3.439 -13.338 1.00 0.00 C ATOM 1047 C GLN A 65 -2.694 2.783 -12.307 1.00 0.00 C ATOM 1048 O GLN A 65 -2.928 2.883 -11.104 1.00 0.00 O ATOM 1049 CB GLN A 65 -3.161 4.875 -13.593 1.00 0.00 C ATOM 1050 CG GLN A 65 -3.353 5.791 -12.407 1.00 0.00 C ATOM 1051 CD GLN A 65 -2.603 7.089 -12.546 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -2.397 7.596 -13.652 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -2.169 7.625 -11.429 1.00 0.00 N ATOM 0 H GLN A 65 -5.189 3.832 -12.014 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.532 2.877 -14.269 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.108 4.874 -13.873 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.716 5.274 -14.442 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.415 6.002 -12.284 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.023 5.281 -11.502 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.363 7.171 -10.536 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.638 8.496 -11.454 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.656 2.079 -12.766 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.685 1.441 -11.878 1.00 0.00 C ATOM 1064 C PRO A 66 0.146 2.470 -11.109 1.00 0.00 C ATOM 1065 O PRO A 66 0.520 3.511 -11.644 1.00 0.00 O ATOM 1066 CB PRO A 66 0.209 0.643 -12.831 1.00 0.00 C ATOM 1067 CG PRO A 66 0.051 1.312 -14.153 1.00 0.00 C ATOM 1068 CD PRO A 66 -1.350 1.839 -14.187 1.00 0.00 C ATOM 0 HA PRO A 66 -1.169 0.827 -11.118 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.248 0.657 -12.503 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.097 -0.402 -12.878 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.774 2.119 -14.270 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.223 0.609 -14.968 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.421 2.755 -14.774 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.039 1.121 -14.631 1.00 0.00 H new ATOM 1076 N ILE A 67 0.434 2.175 -9.858 1.00 0.00 N ATOM 1077 CA ILE A 67 1.208 3.072 -9.016 1.00 0.00 C ATOM 1078 C ILE A 67 2.515 2.426 -8.589 1.00 0.00 C ATOM 1079 O ILE A 67 2.764 1.244 -8.863 1.00 0.00 O ATOM 1080 CB ILE A 67 0.411 3.525 -7.771 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.193 2.322 -7.042 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.669 4.517 -8.173 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -1.030 2.689 -5.836 1.00 0.00 C ATOM 0 H ILE A 67 0.142 1.314 -9.396 1.00 0.00 H new ATOM 0 HA ILE A 67 1.429 3.956 -9.614 1.00 0.00 H new ATOM 0 HB ILE A 67 1.095 4.020 -7.082 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.810 1.759 -7.742 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.613 1.661 -6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.224 4.829 -7.288 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.208 5.388 -8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.351 4.046 -8.881 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.422 1.782 -5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.413 3.225 -5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.859 3.325 -6.148 1.00 0.00 H new ATOM 1095 N ASN A 68 3.354 3.202 -7.948 1.00 0.00 N ATOM 1096 CA ASN A 68 4.654 2.738 -7.500 1.00 0.00 C ATOM 1097 C ASN A 68 4.916 3.108 -6.063 1.00 0.00 C ATOM 1098 O ASN A 68 4.376 4.069 -5.558 1.00 0.00 O ATOM 1099 CB ASN A 68 5.776 3.285 -8.389 1.00 0.00 C ATOM 1100 CG ASN A 68 5.585 4.731 -8.843 1.00 0.00 C ATOM 1101 OD1 ASN A 68 4.998 5.562 -8.006 1.00 0.00 O flip ATOM 1102 ND2 ASN A 68 5.986 5.093 -9.944 1.00 0.00 N flip ATOM 0 H ASN A 68 3.159 4.177 -7.719 1.00 0.00 H new ATOM 0 HA ASN A 68 4.642 1.651 -7.576 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.719 3.210 -7.847 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.864 2.650 -9.271 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.436 4.424 -10.568 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.869 6.063 -10.236 1.00 0.00 H new ATOM 1109 N GLU A 69 5.796 2.358 -5.419 1.00 0.00 N ATOM 1110 CA GLU A 69 6.138 2.585 -4.015 1.00 0.00 C ATOM 1111 C GLU A 69 6.733 3.980 -3.793 1.00 0.00 C ATOM 1112 O GLU A 69 6.841 4.451 -2.665 1.00 0.00 O ATOM 1113 CB GLU A 69 7.121 1.515 -3.535 1.00 0.00 C ATOM 1114 CG GLU A 69 8.449 1.525 -4.276 1.00 0.00 C ATOM 1115 CD GLU A 69 9.424 0.506 -3.734 1.00 0.00 C ATOM 1116 OE1 GLU A 69 10.013 0.756 -2.664 1.00 0.00 O ATOM 1117 OE2 GLU A 69 9.613 -0.548 -4.379 1.00 0.00 O ATOM 0 H GLU A 69 6.294 1.578 -5.848 1.00 0.00 H new ATOM 0 HA GLU A 69 5.217 2.521 -3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.308 1.658 -2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.660 0.534 -3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.272 1.327 -5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.892 2.519 -4.207 1.00 0.00 H new ATOM 1124 N THR A 70 7.098 4.648 -4.871 1.00 0.00 N ATOM 1125 CA THR A 70 7.692 5.953 -4.774 1.00 0.00 C ATOM 1126 C THR A 70 6.645 7.061 -4.970 1.00 0.00 C ATOM 1127 O THR A 70 6.992 8.240 -5.106 1.00 0.00 O ATOM 1128 CB THR A 70 8.856 6.125 -5.784 1.00 0.00 C ATOM 1129 OG1 THR A 70 9.493 7.394 -5.591 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.363 6.023 -7.218 1.00 0.00 C ATOM 0 H THR A 70 6.990 4.301 -5.824 1.00 0.00 H new ATOM 0 HA THR A 70 8.101 6.044 -3.768 1.00 0.00 H new ATOM 0 HB THR A 70 9.571 5.322 -5.605 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.816 8.071 -5.382 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.203 6.148 -7.901 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.908 5.046 -7.378 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.624 6.802 -7.405 1.00 0.00 H new ATOM 1138 N ASP A 71 5.367 6.697 -4.984 1.00 0.00 N ATOM 1139 CA ASP A 71 4.316 7.696 -5.120 1.00 0.00 C ATOM 1140 C ASP A 71 3.719 8.011 -3.756 1.00 0.00 C ATOM 1141 O ASP A 71 3.844 7.224 -2.804 1.00 0.00 O ATOM 1142 CB ASP A 71 3.221 7.260 -6.129 1.00 0.00 C ATOM 1143 CG ASP A 71 2.044 6.547 -5.517 1.00 0.00 C ATOM 1144 OD1 ASP A 71 1.146 7.233 -4.997 1.00 0.00 O ATOM 1145 OD2 ASP A 71 2.004 5.309 -5.595 1.00 0.00 O ATOM 0 H ASP A 71 5.039 5.735 -4.904 1.00 0.00 H new ATOM 0 HA ASP A 71 4.765 8.603 -5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.859 8.144 -6.655 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.674 6.608 -6.876 1.00 0.00 H new ATOM 1150 N THR A 72 3.115 9.174 -3.638 1.00 0.00 N ATOM 1151 CA THR A 72 2.525 9.597 -2.391 1.00 0.00 C ATOM 1152 C THR A 72 1.034 9.859 -2.576 1.00 0.00 C ATOM 1153 O THR A 72 0.601 10.257 -3.663 1.00 0.00 O ATOM 1154 CB THR A 72 3.207 10.879 -1.865 1.00 0.00 C ATOM 1155 OG1 THR A 72 3.014 11.946 -2.801 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.698 10.655 -1.668 1.00 0.00 C ATOM 0 H THR A 72 3.021 9.847 -4.399 1.00 0.00 H new ATOM 0 HA THR A 72 2.668 8.798 -1.664 1.00 0.00 H new ATOM 0 HB THR A 72 2.758 11.137 -0.906 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.446 12.759 -2.464 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.158 11.571 -1.297 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.853 9.853 -0.946 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.153 10.380 -2.619 1.00 0.00 H new ATOM 1164 N PRO A 73 0.228 9.674 -1.505 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.231 9.856 -1.560 1.00 0.00 C ATOM 1166 C PRO A 73 -1.634 11.279 -1.950 1.00 0.00 C ATOM 1167 O PRO A 73 -2.764 11.529 -2.364 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.693 9.545 -0.128 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.473 9.686 0.710 1.00 0.00 C ATOM 1170 CD PRO A 73 0.673 9.274 -0.161 1.00 0.00 C ATOM 0 HA PRO A 73 -1.684 9.216 -2.317 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.474 10.234 0.193 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.107 8.539 -0.057 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.352 10.713 1.054 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.534 9.057 1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.597 9.776 0.124 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.861 8.202 -0.100 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.714 12.211 -1.820 1.00 0.00 N ATOM 1179 CA ALA A 74 -0.981 13.594 -2.167 1.00 0.00 C ATOM 1180 C ALA A 74 -0.806 13.822 -3.660 1.00 0.00 C ATOM 1181 O ALA A 74 -1.436 14.699 -4.252 1.00 0.00 O ATOM 1182 CB ALA A 74 -0.072 14.520 -1.381 1.00 0.00 C ATOM 0 H ALA A 74 0.230 12.037 -1.475 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.016 13.816 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.284 15.554 -1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.246 14.381 -0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.968 14.290 -1.611 1.00 0.00 H new ATOM 1188 N GLN A 75 0.038 13.011 -4.274 1.00 0.00 N ATOM 1189 CA GLN A 75 0.333 13.130 -5.689 1.00 0.00 C ATOM 1190 C GLN A 75 -0.856 12.679 -6.524 1.00 0.00 C ATOM 1191 O GLN A 75 -1.380 13.424 -7.350 1.00 0.00 O ATOM 1192 CB GLN A 75 1.540 12.266 -6.020 1.00 0.00 C ATOM 1193 CG GLN A 75 2.125 12.507 -7.395 1.00 0.00 C ATOM 1194 CD GLN A 75 3.330 11.627 -7.670 1.00 0.00 C ATOM 1195 OE1 GLN A 75 3.332 10.428 -7.114 1.00 0.00 O flip ATOM 1196 NE2 GLN A 75 4.244 12.018 -8.391 1.00 0.00 N flip ATOM 0 H GLN A 75 0.536 12.254 -3.806 1.00 0.00 H new ATOM 0 HA GLN A 75 0.544 14.174 -5.920 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.314 12.443 -5.273 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.254 11.217 -5.939 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.361 12.320 -8.150 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.414 13.554 -7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.206 12.951 -8.802 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.041 11.410 -8.579 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.296 11.457 -6.288 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.401 10.895 -7.049 1.00 0.00 C ATOM 1207 C LEU A 76 -3.751 11.225 -6.408 1.00 0.00 C ATOM 1208 O LEU A 76 -4.751 10.563 -6.678 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.234 9.370 -7.232 1.00 0.00 C ATOM 1210 CG LEU A 76 -2.623 8.466 -6.050 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -2.415 7.013 -6.416 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -1.829 8.805 -4.803 1.00 0.00 C ATOM 0 H LEU A 76 -0.908 10.835 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.384 11.357 -8.036 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.827 9.068 -8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.190 9.173 -7.477 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.677 8.638 -5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.693 6.382 -5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.035 6.762 -7.277 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.367 6.847 -6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.131 8.146 -3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.765 8.673 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.019 9.841 -4.521 1.00 0.00 H new ATOM 1224 N GLU A 77 -3.765 12.283 -5.566 1.00 0.00 N ATOM 1225 CA GLU A 77 -4.976 12.765 -4.867 1.00 0.00 C ATOM 1226 C GLU A 77 -5.818 11.626 -4.295 1.00 0.00 C ATOM 1227 O GLU A 77 -6.968 11.407 -4.677 1.00 0.00 O ATOM 1228 CB GLU A 77 -5.801 13.729 -5.748 1.00 0.00 C ATOM 1229 CG GLU A 77 -6.095 13.222 -7.148 1.00 0.00 C ATOM 1230 CD GLU A 77 -6.566 14.313 -8.067 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -5.730 15.140 -8.488 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -7.773 14.351 -8.389 1.00 0.00 O ATOM 0 H GLU A 77 -2.931 12.829 -5.352 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.633 13.341 -4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.746 13.937 -5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.266 14.676 -5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.196 12.765 -7.562 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.854 12.442 -7.097 1.00 0.00 H new ATOM 1239 N MET A 78 -5.219 10.900 -3.378 1.00 0.00 N ATOM 1240 CA MET A 78 -5.849 9.767 -2.740 1.00 0.00 C ATOM 1241 C MET A 78 -6.805 10.223 -1.668 1.00 0.00 C ATOM 1242 O MET A 78 -6.422 10.931 -0.742 1.00 0.00 O ATOM 1243 CB MET A 78 -4.788 8.876 -2.126 1.00 0.00 C ATOM 1244 CG MET A 78 -4.789 7.468 -2.654 1.00 0.00 C ATOM 1245 SD MET A 78 -3.289 6.585 -2.218 1.00 0.00 S ATOM 1246 CE MET A 78 -3.496 5.103 -3.181 1.00 0.00 C ATOM 0 H MET A 78 -4.270 11.082 -3.051 1.00 0.00 H new ATOM 0 HA MET A 78 -6.408 9.211 -3.492 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.808 9.319 -2.305 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.933 8.848 -1.046 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.652 6.933 -2.258 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.896 7.488 -3.739 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.720 4.385 -2.915 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.475 4.670 -2.977 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.420 5.344 -4.241 1.00 0.00 H new ATOM 1256 N GLU A 79 -8.044 9.835 -1.786 1.00 0.00 N ATOM 1257 CA GLU A 79 -9.035 10.196 -0.806 1.00 0.00 C ATOM 1258 C GLU A 79 -8.904 9.337 0.435 1.00 0.00 C ATOM 1259 O GLU A 79 -8.350 8.236 0.391 1.00 0.00 O ATOM 1260 CB GLU A 79 -10.431 10.075 -1.395 1.00 0.00 C ATOM 1261 CG GLU A 79 -10.717 11.096 -2.477 1.00 0.00 C ATOM 1262 CD GLU A 79 -10.805 12.507 -1.931 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -9.794 13.021 -1.422 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -11.896 13.104 -2.006 1.00 0.00 O ATOM 0 H GLU A 79 -8.395 9.265 -2.556 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.869 11.234 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.558 9.074 -1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.165 10.187 -0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.933 11.050 -3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.654 10.842 -2.974 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.392 9.843 1.546 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.342 9.110 2.791 1.00 0.00 C ATOM 1273 C ASP A 80 -10.273 7.916 2.724 1.00 0.00 C ATOM 1274 O ASP A 80 -11.350 7.993 2.119 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.746 10.004 3.961 1.00 0.00 C ATOM 1276 CG ASP A 80 -9.394 9.395 5.292 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -8.631 8.423 5.311 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -9.868 9.901 6.330 1.00 0.00 O ATOM 0 H ASP A 80 -9.829 10.762 1.612 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.319 8.769 2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.252 10.971 3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.819 10.189 3.921 1.00 0.00 H new ATOM 1283 N GLU A 81 -9.855 6.800 3.325 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.645 5.572 3.374 1.00 0.00 C ATOM 1285 C GLU A 81 -10.809 4.960 1.989 1.00 0.00 C ATOM 1286 O GLU A 81 -11.682 4.119 1.765 1.00 0.00 O ATOM 1287 CB GLU A 81 -12.011 5.822 4.015 1.00 0.00 C ATOM 1288 CG GLU A 81 -11.949 6.625 5.303 1.00 0.00 C ATOM 1289 CD GLU A 81 -12.870 6.079 6.359 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -14.076 6.388 6.318 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -12.398 5.315 7.235 1.00 0.00 O ATOM 0 H GLU A 81 -8.952 6.724 3.794 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.101 4.860 3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.646 6.347 3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.487 4.863 4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -10.926 6.625 5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.212 7.662 5.095 1.00 0.00 H new ATOM 1298 N ASP A 82 -9.958 5.364 1.061 1.00 0.00 N ATOM 1299 CA ASP A 82 -10.033 4.850 -0.306 1.00 0.00 C ATOM 1300 C ASP A 82 -9.346 3.486 -0.408 1.00 0.00 C ATOM 1301 O ASP A 82 -8.683 3.035 0.534 1.00 0.00 O ATOM 1302 CB ASP A 82 -9.420 5.836 -1.303 1.00 0.00 C ATOM 1303 CG ASP A 82 -10.173 5.857 -2.619 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -10.356 4.781 -3.230 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -10.600 6.948 -3.041 1.00 0.00 O ATOM 0 H ASP A 82 -9.212 6.040 1.222 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.086 4.728 -0.559 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.420 6.836 -0.870 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.379 5.567 -1.485 1.00 0.00 H new ATOM 1310 N THR A 83 -9.492 2.824 -1.542 1.00 0.00 N ATOM 1311 CA THR A 83 -8.949 1.490 -1.715 1.00 0.00 C ATOM 1312 C THR A 83 -8.045 1.382 -2.958 1.00 0.00 C ATOM 1313 O THR A 83 -8.286 2.014 -3.988 1.00 0.00 O ATOM 1314 CB THR A 83 -10.092 0.457 -1.808 1.00 0.00 C ATOM 1315 OG1 THR A 83 -11.001 0.653 -0.714 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.555 -0.967 -1.760 1.00 0.00 C ATOM 0 H THR A 83 -9.983 3.190 -2.358 1.00 0.00 H new ATOM 0 HA THR A 83 -8.332 1.279 -0.841 1.00 0.00 H new ATOM 0 HB THR A 83 -10.605 0.601 -2.759 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.729 -0.001 -0.772 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.384 -1.671 -1.828 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.874 -1.127 -2.596 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.022 -1.123 -0.822 1.00 0.00 H new ATOM 1324 N ILE A 84 -7.004 0.569 -2.844 1.00 0.00 N ATOM 1325 CA ILE A 84 -6.063 0.330 -3.921 1.00 0.00 C ATOM 1326 C ILE A 84 -6.307 -1.052 -4.503 1.00 0.00 C ATOM 1327 O ILE A 84 -6.539 -2.005 -3.768 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.579 0.418 -3.439 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.226 1.829 -2.962 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.624 -0.013 -4.538 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.689 2.154 -1.558 1.00 0.00 C ATOM 0 H ILE A 84 -6.790 0.053 -1.991 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.220 1.104 -4.672 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.474 -0.263 -2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.145 1.955 -3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.664 2.551 -3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.598 0.058 -4.177 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.838 -1.043 -4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.749 0.637 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.396 3.173 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.774 2.064 -1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.231 1.459 -0.854 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.248 -1.161 -5.812 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.475 -2.428 -6.491 1.00 0.00 C ATOM 1345 C ASP A 85 -5.150 -3.127 -6.757 1.00 0.00 C ATOM 1346 O ASP A 85 -4.264 -2.576 -7.403 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.213 -2.200 -7.815 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.556 -1.528 -7.638 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.545 -2.233 -7.353 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -8.635 -0.283 -7.799 1.00 0.00 O ATOM 0 H ASP A 85 -6.043 -0.382 -6.437 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.089 -3.058 -5.847 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.591 -1.589 -8.470 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.356 -3.158 -8.314 1.00 0.00 H new ATOM 1355 N VAL A 86 -4.998 -4.330 -6.247 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.774 -5.086 -6.453 1.00 0.00 C ATOM 1357 C VAL A 86 -3.989 -6.263 -7.398 1.00 0.00 C ATOM 1358 O VAL A 86 -4.977 -6.999 -7.292 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.180 -5.582 -5.109 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -2.111 -6.639 -5.332 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.602 -4.415 -4.341 1.00 0.00 C ATOM 0 H VAL A 86 -5.704 -4.808 -5.687 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.059 -4.405 -6.916 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.985 -6.036 -4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.715 -6.965 -4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.546 -7.492 -5.854 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.304 -6.219 -5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.186 -4.770 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.815 -3.946 -4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.388 -3.687 -4.140 1.00 0.00 H new ATOM 1371 N PHE A 87 -3.039 -6.461 -8.304 1.00 0.00 N ATOM 1372 CA PHE A 87 -3.113 -7.522 -9.297 1.00 0.00 C ATOM 1373 C PHE A 87 -1.805 -8.299 -9.305 1.00 0.00 C ATOM 1374 O PHE A 87 -0.750 -7.754 -8.967 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.380 -6.934 -10.686 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.612 -6.081 -10.751 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.551 -4.734 -10.444 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -5.830 -6.627 -11.109 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.679 -3.948 -10.490 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -6.965 -5.847 -11.159 1.00 0.00 C ATOM 1381 CZ PHE A 87 -6.889 -4.503 -10.848 1.00 0.00 C ATOM 0 H PHE A 87 -2.196 -5.890 -8.370 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.933 -8.193 -9.041 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.519 -6.338 -10.991 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.474 -7.749 -11.404 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.605 -4.293 -10.164 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.893 -7.677 -11.352 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.617 -2.898 -10.246 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.911 -6.285 -11.440 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.776 -3.888 -10.885 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.860 -9.569 -9.666 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.670 -10.410 -9.689 1.00 0.00 C ATOM 1393 C GLN A 88 -0.120 -10.585 -11.109 1.00 0.00 C ATOM 1394 O GLN A 88 -0.748 -11.212 -11.960 1.00 0.00 O ATOM 1395 CB GLN A 88 -0.977 -11.782 -9.082 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.771 -11.883 -7.573 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.725 -11.029 -6.765 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.811 -11.462 -6.412 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.321 -9.815 -6.457 1.00 0.00 N ATOM 0 H GLN A 88 -2.717 -10.044 -9.948 1.00 0.00 H new ATOM 0 HA GLN A 88 0.093 -9.908 -9.093 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.011 -12.040 -9.310 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.348 -12.527 -9.570 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.885 -12.924 -7.270 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.252 -11.592 -7.336 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.407 -9.487 -6.769 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.922 -9.202 -5.906 1.00 0.00 H new ATOM 1408 N GLN A 89 1.053 -10.020 -11.359 1.00 0.00 N ATOM 1409 CA GLN A 89 1.729 -10.163 -12.647 1.00 0.00 C ATOM 1410 C GLN A 89 3.084 -10.840 -12.474 1.00 0.00 C ATOM 1411 O GLN A 89 4.126 -10.185 -12.487 1.00 0.00 O ATOM 1412 CB GLN A 89 1.922 -8.805 -13.362 1.00 0.00 C ATOM 1413 CG GLN A 89 0.644 -8.187 -13.929 1.00 0.00 C ATOM 1414 CD GLN A 89 -0.292 -7.633 -12.872 1.00 0.00 C ATOM 1415 OE1 GLN A 89 -1.507 -7.662 -13.034 1.00 0.00 O ATOM 1416 NE2 GLN A 89 0.264 -7.096 -11.800 1.00 0.00 N ATOM 0 H GLN A 89 1.563 -9.453 -10.682 1.00 0.00 H new ATOM 0 HA GLN A 89 1.085 -10.784 -13.269 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.367 -8.101 -12.659 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.636 -8.938 -14.175 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.914 -7.386 -14.617 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.114 -8.942 -14.510 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.279 -7.091 -11.700 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -0.322 -6.687 -11.072 1.00 0.00 H new ATOM 1425 N GLN A 90 3.072 -12.147 -12.260 1.00 0.00 N ATOM 1426 CA GLN A 90 4.307 -12.913 -12.121 1.00 0.00 C ATOM 1427 C GLN A 90 5.037 -12.986 -13.449 1.00 0.00 C ATOM 1428 O GLN A 90 4.413 -13.000 -14.517 1.00 0.00 O ATOM 1429 CB GLN A 90 4.032 -14.347 -11.630 1.00 0.00 C ATOM 1430 CG GLN A 90 3.432 -14.459 -10.229 1.00 0.00 C ATOM 1431 CD GLN A 90 1.999 -13.974 -10.131 1.00 0.00 C ATOM 1432 OE1 GLN A 90 1.572 -13.491 -9.091 1.00 0.00 O ATOM 1433 NE2 GLN A 90 1.245 -14.116 -11.205 1.00 0.00 N ATOM 0 H GLN A 90 2.220 -12.703 -12.178 1.00 0.00 H new ATOM 0 HA GLN A 90 4.922 -12.399 -11.383 1.00 0.00 H new ATOM 0 HB2 GLN A 90 3.356 -14.831 -12.335 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.968 -14.905 -11.651 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.475 -15.500 -9.909 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.047 -13.886 -9.535 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.638 -14.523 -12.054 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.270 -13.818 -11.186 1.00 0.00 H new ATOM 1442 N THR A 91 6.356 -13.026 -13.391 1.00 0.00 N ATOM 1443 CA THR A 91 7.172 -13.138 -14.581 1.00 0.00 C ATOM 1444 C THR A 91 6.983 -14.513 -15.229 1.00 0.00 C ATOM 1445 O THR A 91 7.478 -15.525 -14.724 1.00 0.00 O ATOM 1446 CB THR A 91 8.660 -12.942 -14.231 1.00 0.00 C ATOM 1447 OG1 THR A 91 8.812 -11.759 -13.426 1.00 0.00 O ATOM 1448 CG2 THR A 91 9.499 -12.805 -15.495 1.00 0.00 C ATOM 0 H THR A 91 6.887 -12.982 -12.521 1.00 0.00 H new ATOM 0 HA THR A 91 6.861 -12.363 -15.281 1.00 0.00 H new ATOM 0 HB THR A 91 9.004 -13.816 -13.677 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.758 -11.635 -13.202 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.546 -12.668 -15.224 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.396 -13.706 -16.099 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.156 -11.943 -16.067 1.00 0.00 H new ATOM 1456 N GLY A 92 6.241 -14.558 -16.324 1.00 0.00 N ATOM 1457 CA GLY A 92 6.010 -15.809 -17.004 1.00 0.00 C ATOM 1458 C GLY A 92 6.682 -15.848 -18.350 1.00 0.00 C ATOM 1459 O GLY A 92 6.471 -14.973 -19.189 1.00 0.00 O ATOM 0 H GLY A 92 5.795 -13.747 -16.753 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.380 -16.630 -16.390 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.938 -15.962 -17.129 1.00 0.00 H new ATOM 1463 N GLY A 93 7.490 -16.860 -18.570 1.00 0.00 N ATOM 1464 CA GLY A 93 8.202 -16.978 -19.814 1.00 0.00 C ATOM 1465 C GLY A 93 9.622 -16.499 -19.683 1.00 0.00 C ATOM 1466 O GLY A 93 9.889 -15.318 -19.975 1.00 0.00 O ATOM 1467 OXT GLY A 93 10.482 -17.294 -19.255 1.00 0.00 O ATOM 0 H GLY A 93 7.668 -17.610 -17.902 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.196 -18.018 -20.141 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.691 -16.399 -20.583 1.00 0.00 H new TER 1471 GLY A 93