USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 976 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 145 THR OG1 : rot 46:sc= 0.183 USER MOD Set 1.2: A 147 HIS : no HD1:sc= 0 X(o=0.18,f=0.025) USER MOD Set 2.1: A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 131 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 48 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 2.01 (180deg=-0.104) USER MOD Single : A 5 SER OG : rot -97:sc= 1.46 USER MOD Single : A 30 LYS NZ :NH3+ 141:sc= 1.25 (180deg=0.971) USER MOD Single : A 31 LYS NZ :NH3+ 179:sc= 0.324 (180deg=0.321) USER MOD Single : A 32 GLN : amide:sc= -0.0403 X(o=-0.04,f=-0.25) USER MOD Single : A 33 TYR OH : rot -73:sc= 1.23 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -125:sc= 1.26 USER MOD Single : A 61 GLN : amide:sc= -2.85 K(o=-2.8,f=-0.19) USER MOD Single : A 64 MET CE :methyl -149:sc= -1.17 (180deg=-2.81!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 24:sc= 1.16 USER MOD Single : A 98 TYR OH : rot -28:sc= 0.644 USER MOD Single : A 106 TYR OH : rot -143:sc= 1.49 USER MOD Single : A 110 GLN : amide:sc=-0.00895 X(o=-0.0089,f=-0.14) USER MOD Single : A 112 HIS : no HD1:sc=-0.00301 X(o=-0.003,f=0) USER MOD Single : A 119 SER OG : rot -118:sc= 1.24 USER MOD Single : A 129 THR OG1 : rot -34:sc= 0.00235 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 GLN : amide:sc= 0.397 K(o=0.4,f=-3.5!) USER MOD Single : A 158 SER OG : rot 120:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.514 -2.627 -13.134 1.00 0.00 N ATOM 2 CA MET A 1 -9.545 -2.564 -12.042 1.00 0.00 C ATOM 3 C MET A 1 -9.334 -3.428 -10.743 1.00 0.00 C ATOM 4 O MET A 1 -10.017 -3.139 -9.757 1.00 0.00 O ATOM 5 CB MET A 1 -10.945 -2.831 -12.663 1.00 0.00 C ATOM 6 CG MET A 1 -11.508 -1.759 -13.627 1.00 0.00 C ATOM 7 SD MET A 1 -12.976 -2.393 -14.472 1.00 0.00 S ATOM 8 CE MET A 1 -14.314 -1.561 -13.597 1.00 0.00 C ATOM 0 H1 MET A 1 -8.314 -1.666 -13.479 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.640 -3.050 -12.762 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.874 -3.208 -13.918 1.00 0.00 H new ATOM 0 HA MET A 1 -9.438 -1.555 -11.644 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.901 -3.778 -13.200 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.657 -2.959 -11.848 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.760 -0.856 -13.072 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.749 -1.482 -14.359 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.271 -1.866 -14.021 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.282 -1.832 -12.542 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.199 -0.482 -13.698 1.00 0.00 H new ATOM 20 N GLU A 2 -8.445 -4.446 -10.688 1.00 0.00 N ATOM 21 CA GLU A 2 -8.161 -5.224 -9.432 1.00 0.00 C ATOM 22 C GLU A 2 -7.516 -4.386 -8.250 1.00 0.00 C ATOM 23 O GLU A 2 -7.183 -3.207 -8.418 1.00 0.00 O ATOM 24 CB GLU A 2 -7.376 -6.521 -9.823 1.00 0.00 C ATOM 25 CG GLU A 2 -5.889 -6.353 -10.257 1.00 0.00 C ATOM 26 CD GLU A 2 -4.995 -7.578 -10.395 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.402 -8.570 -11.025 1.00 0.00 O ATOM 28 OE2 GLU A 2 -3.841 -7.531 -9.913 1.00 0.00 O ATOM 0 H GLU A 2 -7.904 -4.758 -11.494 1.00 0.00 H new ATOM 0 HA GLU A 2 -9.112 -5.511 -8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.404 -7.202 -8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.912 -7.007 -10.638 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.888 -5.840 -11.219 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.415 -5.684 -9.539 1.00 0.00 H new ATOM 35 N LEU A 3 -7.343 -4.979 -7.054 1.00 0.00 N ATOM 36 CA LEU A 3 -6.841 -4.261 -5.837 1.00 0.00 C ATOM 37 C LEU A 3 -5.704 -5.048 -5.088 1.00 0.00 C ATOM 38 O LEU A 3 -5.868 -6.226 -4.758 1.00 0.00 O ATOM 39 CB LEU A 3 -8.070 -3.965 -4.914 1.00 0.00 C ATOM 40 CG LEU A 3 -8.614 -2.511 -4.954 1.00 0.00 C ATOM 41 CD1 LEU A 3 -9.977 -2.444 -4.253 1.00 0.00 C ATOM 42 CD2 LEU A 3 -7.693 -1.492 -4.257 1.00 0.00 C ATOM 0 H LEU A 3 -7.543 -5.966 -6.890 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.371 -3.325 -6.138 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.878 -4.642 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.793 -4.201 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.682 -2.250 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.353 -1.421 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.680 -3.105 -4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.868 -2.758 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.135 -0.498 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.573 -1.767 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.718 -1.489 -4.745 1.00 0.00 H new ATOM 54 N VAL A 4 -4.570 -4.384 -4.784 1.00 0.00 N ATOM 55 CA VAL A 4 -3.346 -5.053 -4.226 1.00 0.00 C ATOM 56 C VAL A 4 -2.707 -4.250 -3.030 1.00 0.00 C ATOM 57 O VAL A 4 -2.504 -3.037 -3.128 1.00 0.00 O ATOM 58 CB VAL A 4 -2.374 -5.381 -5.417 1.00 0.00 C ATOM 59 CG1 VAL A 4 -1.810 -4.182 -6.216 1.00 0.00 C ATOM 60 CG2 VAL A 4 -1.185 -6.267 -5.003 1.00 0.00 C ATOM 0 H VAL A 4 -4.463 -3.378 -4.912 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.611 -6.000 -3.756 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.052 -5.914 -6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.155 -4.548 -7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.633 -3.619 -6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.244 -3.533 -5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.553 -6.456 -5.871 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -0.603 -5.759 -4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.556 -7.214 -4.611 1.00 0.00 H new ATOM 70 N SER A 5 -2.374 -4.892 -1.890 1.00 0.00 N ATOM 71 CA SER A 5 -1.843 -4.178 -0.679 1.00 0.00 C ATOM 72 C SER A 5 -0.284 -4.080 -0.650 1.00 0.00 C ATOM 73 O SER A 5 0.401 -5.083 -0.856 1.00 0.00 O ATOM 74 CB SER A 5 -2.372 -4.829 0.622 1.00 0.00 C ATOM 75 OG SER A 5 -2.657 -3.817 1.591 1.00 0.00 O ATOM 0 H SER A 5 -2.458 -5.901 -1.770 1.00 0.00 H new ATOM 0 HA SER A 5 -2.215 -3.155 -0.744 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.272 -5.406 0.410 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.633 -5.525 1.017 1.00 0.00 H new ATOM 0 HG SER A 5 -1.900 -3.733 2.208 1.00 0.00 H new ATOM 81 N VAL A 6 0.284 -2.880 -0.434 1.00 0.00 N ATOM 82 CA VAL A 6 1.717 -2.589 -0.776 1.00 0.00 C ATOM 83 C VAL A 6 2.434 -1.910 0.459 1.00 0.00 C ATOM 84 O VAL A 6 2.391 -0.691 0.653 1.00 0.00 O ATOM 85 CB VAL A 6 1.874 -1.910 -2.206 1.00 0.00 C ATOM 86 CG1 VAL A 6 0.749 -2.194 -3.237 1.00 0.00 C ATOM 87 CG2 VAL A 6 2.069 -0.379 -2.271 1.00 0.00 C ATOM 0 H VAL A 6 -0.213 -2.088 -0.026 1.00 0.00 H new ATOM 0 HA VAL A 6 2.277 -3.512 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 6 2.803 -2.418 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.971 -1.676 -4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.688 -3.266 -3.423 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.203 -1.839 -2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.160 -0.068 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.210 0.117 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.974 -0.104 -1.729 1.00 0.00 H new ATOM 97 N ALA A 7 3.107 -2.700 1.311 1.00 0.00 N ATOM 98 CA ALA A 7 3.813 -2.213 2.539 1.00 0.00 C ATOM 99 C ALA A 7 5.362 -2.408 2.491 1.00 0.00 C ATOM 100 O ALA A 7 5.865 -3.277 1.776 1.00 0.00 O ATOM 101 CB ALA A 7 3.193 -2.984 3.726 1.00 0.00 C ATOM 0 H ALA A 7 3.186 -3.708 1.178 1.00 0.00 H new ATOM 0 HA ALA A 7 3.678 -1.135 2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.671 -2.669 4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.125 -2.774 3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.346 -4.054 3.584 1.00 0.00 H new ATOM 107 N ALA A 8 6.127 -1.617 3.264 1.00 0.00 N ATOM 108 CA ALA A 8 7.590 -1.839 3.451 1.00 0.00 C ATOM 109 C ALA A 8 7.977 -2.060 4.956 1.00 0.00 C ATOM 110 O ALA A 8 7.576 -1.290 5.835 1.00 0.00 O ATOM 111 CB ALA A 8 8.316 -0.651 2.796 1.00 0.00 C ATOM 0 H ALA A 8 5.764 -0.813 3.775 1.00 0.00 H new ATOM 0 HA ALA A 8 7.901 -2.765 2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.393 -0.775 2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.066 -0.612 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.004 0.276 3.277 1.00 0.00 H new ATOM 117 N LEU A 9 8.747 -3.122 5.252 1.00 0.00 N ATOM 118 CA LEU A 9 9.208 -3.441 6.642 1.00 0.00 C ATOM 119 C LEU A 9 10.456 -2.606 7.104 1.00 0.00 C ATOM 120 O LEU A 9 11.293 -2.203 6.291 1.00 0.00 O ATOM 121 CB LEU A 9 9.517 -4.977 6.718 1.00 0.00 C ATOM 122 CG LEU A 9 8.390 -5.969 7.116 1.00 0.00 C ATOM 123 CD1 LEU A 9 7.989 -5.822 8.594 1.00 0.00 C ATOM 124 CD2 LEU A 9 7.149 -5.887 6.213 1.00 0.00 C ATOM 0 H LEU A 9 9.073 -3.787 4.550 1.00 0.00 H new ATOM 0 HA LEU A 9 8.407 -3.166 7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.890 -5.283 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 9 10.334 -5.110 7.427 1.00 0.00 H new ATOM 0 HG LEU A 9 8.821 -6.959 6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.198 -6.534 8.829 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.854 -6.018 9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.630 -4.809 8.775 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.405 -6.608 6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.729 -4.882 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.432 -6.113 5.185 1.00 0.00 H new ATOM 136 N ALA A 10 10.593 -2.398 8.429 1.00 0.00 N ATOM 137 CA ALA A 10 11.806 -1.788 9.042 1.00 0.00 C ATOM 138 C ALA A 10 12.447 -2.735 10.122 1.00 0.00 C ATOM 139 O ALA A 10 13.373 -3.468 9.775 1.00 0.00 O ATOM 140 CB ALA A 10 11.392 -0.368 9.482 1.00 0.00 C ATOM 0 H ALA A 10 9.873 -2.645 9.108 1.00 0.00 H new ATOM 0 HA ALA A 10 12.640 -1.675 8.350 1.00 0.00 H new ATOM 0 HB1 ALA A 10 12.244 0.133 9.942 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.062 0.201 8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.577 -0.434 10.203 1.00 0.00 H new ATOM 400 N PRO A 27 17.349 2.456 -2.366 1.00 0.00 N ATOM 401 CA PRO A 27 16.564 2.692 -3.612 1.00 0.00 C ATOM 402 C PRO A 27 15.962 1.461 -4.384 1.00 0.00 C ATOM 403 O PRO A 27 15.167 1.676 -5.299 1.00 0.00 O ATOM 404 CB PRO A 27 17.570 3.460 -4.498 1.00 0.00 C ATOM 405 CG PRO A 27 18.675 3.954 -3.563 1.00 0.00 C ATOM 406 CD PRO A 27 18.749 2.905 -2.458 1.00 0.00 C ATOM 0 HA PRO A 27 15.641 3.207 -3.346 1.00 0.00 H new ATOM 0 HB2 PRO A 27 17.978 2.812 -5.274 1.00 0.00 H new ATOM 0 HB3 PRO A 27 17.085 4.296 -5.002 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.626 4.044 -4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 27 18.440 4.939 -3.159 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.423 2.088 -2.716 1.00 0.00 H new ATOM 0 HD3 PRO A 27 19.104 3.327 -1.518 1.00 0.00 H new ATOM 414 N ALA A 28 16.352 0.209 -4.071 1.00 0.00 N ATOM 415 CA ALA A 28 15.856 -1.016 -4.765 1.00 0.00 C ATOM 416 C ALA A 28 14.437 -1.533 -4.330 1.00 0.00 C ATOM 417 O ALA A 28 13.622 -1.849 -5.201 1.00 0.00 O ATOM 418 CB ALA A 28 16.962 -2.076 -4.617 1.00 0.00 C ATOM 0 H ALA A 28 17.022 0.009 -3.328 1.00 0.00 H new ATOM 0 HA ALA A 28 15.671 -0.770 -5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.651 -2.998 -5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.880 -1.711 -5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 28 17.140 -2.271 -3.559 1.00 0.00 H new ATOM 424 N ASP A 29 14.115 -1.537 -3.015 1.00 0.00 N ATOM 425 CA ASP A 29 12.711 -1.447 -2.482 1.00 0.00 C ATOM 426 C ASP A 29 11.810 -0.399 -3.234 1.00 0.00 C ATOM 427 O ASP A 29 10.899 -0.776 -3.977 1.00 0.00 O ATOM 428 CB ASP A 29 12.822 -1.220 -0.933 1.00 0.00 C ATOM 429 CG ASP A 29 11.566 -0.722 -0.196 1.00 0.00 C ATOM 430 OD1 ASP A 29 10.532 -1.415 -0.200 1.00 0.00 O ATOM 431 OD2 ASP A 29 11.585 0.416 0.325 1.00 0.00 O ATOM 0 H ASP A 29 14.818 -1.603 -2.279 1.00 0.00 H new ATOM 0 HA ASP A 29 12.177 -2.377 -2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.129 -2.161 -0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.623 -0.503 -0.755 1.00 0.00 H new ATOM 436 N LYS A 30 12.165 0.894 -3.169 1.00 0.00 N ATOM 437 CA LYS A 30 11.557 1.960 -4.027 1.00 0.00 C ATOM 438 C LYS A 30 11.818 1.865 -5.594 1.00 0.00 C ATOM 439 O LYS A 30 11.315 2.713 -6.340 1.00 0.00 O ATOM 440 CB LYS A 30 11.944 3.334 -3.408 1.00 0.00 C ATOM 441 CG LYS A 30 11.639 3.599 -1.899 1.00 0.00 C ATOM 442 CD LYS A 30 10.186 3.996 -1.539 1.00 0.00 C ATOM 443 CE LYS A 30 9.247 2.862 -1.070 1.00 0.00 C ATOM 444 NZ LYS A 30 9.605 2.348 0.284 1.00 0.00 N ATOM 0 H LYS A 30 12.877 1.243 -2.528 1.00 0.00 H new ATOM 0 HA LYS A 30 10.477 1.813 -4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.015 3.471 -3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.440 4.109 -3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.894 2.700 -1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.303 4.391 -1.552 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.225 4.751 -0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.737 4.469 -2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.220 3.227 -1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.285 2.043 -1.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.737 2.149 0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.161 1.474 0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.168 3.062 0.789 1.00 0.00 H new ATOM 458 N LYS A 31 12.485 0.812 -6.125 1.00 0.00 N ATOM 459 CA LYS A 31 12.372 0.404 -7.556 1.00 0.00 C ATOM 460 C LYS A 31 11.241 -0.608 -7.892 1.00 0.00 C ATOM 461 O LYS A 31 10.647 -0.448 -8.958 1.00 0.00 O ATOM 462 CB LYS A 31 13.698 -0.122 -8.185 1.00 0.00 C ATOM 463 CG LYS A 31 14.723 0.931 -8.658 1.00 0.00 C ATOM 464 CD LYS A 31 14.184 2.148 -9.457 1.00 0.00 C ATOM 465 CE LYS A 31 13.478 1.912 -10.819 1.00 0.00 C ATOM 466 NZ LYS A 31 12.019 1.555 -10.715 1.00 0.00 N ATOM 0 H LYS A 31 13.114 0.221 -5.581 1.00 0.00 H new ATOM 0 HA LYS A 31 12.107 1.359 -8.009 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.187 -0.764 -7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.441 -0.750 -9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.245 1.310 -7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.464 0.425 -9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.483 2.678 -8.812 1.00 0.00 H new ATOM 0 HD3 LYS A 31 15.023 2.820 -9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.576 2.813 -11.425 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.997 1.113 -11.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.623 1.432 -11.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.916 0.669 -10.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.509 2.317 -10.224 1.00 0.00 H new ATOM 480 N GLN A 32 10.984 -1.641 -7.077 1.00 0.00 N ATOM 481 CA GLN A 32 9.738 -2.448 -7.188 1.00 0.00 C ATOM 482 C GLN A 32 8.440 -1.696 -6.735 1.00 0.00 C ATOM 483 O GLN A 32 7.452 -1.686 -7.470 1.00 0.00 O ATOM 484 CB GLN A 32 9.982 -3.784 -6.444 1.00 0.00 C ATOM 485 CG GLN A 32 8.862 -4.855 -6.563 1.00 0.00 C ATOM 486 CD GLN A 32 8.485 -5.335 -7.978 1.00 0.00 C ATOM 487 OE1 GLN A 32 7.956 -4.591 -8.795 1.00 0.00 O ATOM 488 NE2 GLN A 32 8.715 -6.574 -8.333 1.00 0.00 N ATOM 0 H GLN A 32 11.613 -1.945 -6.334 1.00 0.00 H new ATOM 0 HA GLN A 32 9.531 -2.646 -8.240 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.910 -4.218 -6.816 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.134 -3.564 -5.387 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.166 -5.726 -5.982 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.963 -4.456 -6.092 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.154 -7.219 -7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.455 -6.894 -9.266 1.00 0.00 H new ATOM 497 N TYR A 33 8.459 -1.008 -5.580 1.00 0.00 N ATOM 498 CA TYR A 33 7.396 -0.047 -5.161 1.00 0.00 C ATOM 499 C TYR A 33 7.010 1.031 -6.229 1.00 0.00 C ATOM 500 O TYR A 33 5.845 1.103 -6.608 1.00 0.00 O ATOM 501 CB TYR A 33 7.856 0.622 -3.833 1.00 0.00 C ATOM 502 CG TYR A 33 6.799 0.714 -2.733 1.00 0.00 C ATOM 503 CD1 TYR A 33 6.671 -0.341 -1.824 1.00 0.00 C ATOM 504 CD2 TYR A 33 6.063 1.888 -2.537 1.00 0.00 C ATOM 505 CE1 TYR A 33 5.841 -0.215 -0.715 1.00 0.00 C ATOM 506 CE2 TYR A 33 5.235 2.010 -1.423 1.00 0.00 C ATOM 507 CZ TYR A 33 5.128 0.963 -0.511 1.00 0.00 C ATOM 508 OH TYR A 33 4.313 1.095 0.580 1.00 0.00 O ATOM 0 H TYR A 33 9.213 -1.096 -4.899 1.00 0.00 H new ATOM 0 HA TYR A 33 6.478 -0.620 -5.029 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.709 0.066 -3.445 1.00 0.00 H new ATOM 0 HB3 TYR A 33 8.207 1.629 -4.058 1.00 0.00 H new ATOM 0 HD1 TYR A 33 7.219 -1.258 -1.984 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.137 2.698 -3.248 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.750 -1.030 -0.013 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.674 2.920 -1.266 1.00 0.00 H new ATOM 0 HH TYR A 33 3.507 0.552 0.454 1.00 0.00 H new ATOM 518 N ARG A 34 7.983 1.797 -6.769 1.00 0.00 N ATOM 519 CA ARG A 34 7.758 2.657 -7.974 1.00 0.00 C ATOM 520 C ARG A 34 8.201 1.989 -9.340 1.00 0.00 C ATOM 521 O ARG A 34 8.812 2.596 -10.226 1.00 0.00 O ATOM 522 CB ARG A 34 8.410 4.031 -7.635 1.00 0.00 C ATOM 523 CG ARG A 34 7.883 5.251 -8.433 1.00 0.00 C ATOM 524 CD ARG A 34 8.712 6.516 -8.147 1.00 0.00 C ATOM 525 NE ARG A 34 8.163 7.698 -8.880 1.00 0.00 N ATOM 526 CZ ARG A 34 8.806 8.851 -9.073 1.00 0.00 C ATOM 527 NH1 ARG A 34 10.046 9.039 -8.717 1.00 0.00 N ATOM 528 NH2 ARG A 34 8.184 9.839 -9.639 1.00 0.00 N ATOM 0 H ARG A 34 8.932 1.844 -6.398 1.00 0.00 H new ATOM 0 HA ARG A 34 6.696 2.800 -8.174 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.265 4.227 -6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.484 3.951 -7.800 1.00 0.00 H new ATOM 0 HG2 ARG A 34 7.913 5.029 -9.500 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.840 5.433 -8.174 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.715 6.718 -7.076 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.748 6.350 -8.443 1.00 0.00 H new ATOM 0 HE ARG A 34 7.221 7.616 -9.263 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.568 8.286 -8.269 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.494 9.939 -8.886 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.213 9.730 -9.932 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.666 10.725 -9.791 1.00 0.00 H new ATOM 542 N SER A 35 7.869 0.703 -9.502 1.00 0.00 N ATOM 543 CA SER A 35 7.507 0.079 -10.808 1.00 0.00 C ATOM 544 C SER A 35 6.081 -0.584 -10.771 1.00 0.00 C ATOM 545 O SER A 35 5.405 -0.595 -11.803 1.00 0.00 O ATOM 546 CB SER A 35 8.590 -0.934 -11.241 1.00 0.00 C ATOM 547 OG SER A 35 8.331 -1.437 -12.550 1.00 0.00 O ATOM 0 H SER A 35 7.840 0.044 -8.724 1.00 0.00 H new ATOM 0 HA SER A 35 7.462 0.873 -11.553 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.569 -0.455 -11.220 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.624 -1.760 -10.531 1.00 0.00 H new ATOM 0 HG SER A 35 9.032 -2.075 -12.800 1.00 0.00 H new ATOM 553 N ARG A 36 5.611 -1.111 -9.617 1.00 0.00 N ATOM 554 CA ARG A 36 4.161 -1.265 -9.315 1.00 0.00 C ATOM 555 C ARG A 36 3.367 0.093 -9.308 1.00 0.00 C ATOM 556 O ARG A 36 2.443 0.241 -10.108 1.00 0.00 O ATOM 557 CB ARG A 36 4.014 -2.093 -7.990 1.00 0.00 C ATOM 558 CG ARG A 36 3.074 -3.316 -8.100 1.00 0.00 C ATOM 559 CD ARG A 36 1.581 -2.973 -8.301 1.00 0.00 C ATOM 560 NE ARG A 36 0.983 -3.868 -9.335 1.00 0.00 N ATOM 561 CZ ARG A 36 0.653 -3.524 -10.579 1.00 0.00 C ATOM 562 NH1 ARG A 36 0.758 -2.319 -11.064 1.00 0.00 N ATOM 563 NH2 ARG A 36 0.179 -4.448 -11.354 1.00 0.00 N ATOM 0 H ARG A 36 6.220 -1.442 -8.869 1.00 0.00 H new ATOM 0 HA ARG A 36 3.689 -1.817 -10.128 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.001 -2.436 -7.679 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.643 -1.435 -7.204 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.405 -3.936 -8.933 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.175 -3.916 -7.196 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.044 -3.084 -7.359 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.477 -1.932 -8.606 1.00 0.00 H new ATOM 0 HE ARG A 36 0.810 -4.836 -9.063 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.114 -1.563 -10.479 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.485 -2.132 -12.029 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.070 -5.400 -11.005 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.085 -4.223 -12.313 1.00 0.00 H new ATOM 577 N VAL A 37 3.758 1.071 -8.468 1.00 0.00 N ATOM 578 CA VAL A 37 3.240 2.478 -8.497 1.00 0.00 C ATOM 579 C VAL A 37 4.032 3.325 -9.566 1.00 0.00 C ATOM 580 O VAL A 37 4.955 4.076 -9.235 1.00 0.00 O ATOM 581 CB VAL A 37 3.294 3.122 -7.053 1.00 0.00 C ATOM 582 CG1 VAL A 37 2.539 4.471 -6.997 1.00 0.00 C ATOM 583 CG2 VAL A 37 2.755 2.272 -5.870 1.00 0.00 C ATOM 0 H VAL A 37 4.451 0.917 -7.736 1.00 0.00 H new ATOM 0 HA VAL A 37 2.193 2.471 -8.799 1.00 0.00 H new ATOM 0 HB VAL A 37 4.370 3.224 -6.911 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.600 4.880 -5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.991 5.170 -7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.494 4.314 -7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.853 2.836 -4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.705 2.035 -6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.328 1.348 -5.795 1.00 0.00 H new ATOM 593 N ALA A 38 3.715 3.167 -10.864 1.00 0.00 N ATOM 594 CA ALA A 38 4.406 3.899 -11.964 1.00 0.00 C ATOM 595 C ALA A 38 3.666 5.214 -12.385 1.00 0.00 C ATOM 596 O ALA A 38 4.057 6.294 -11.935 1.00 0.00 O ATOM 597 CB ALA A 38 4.712 2.872 -13.079 1.00 0.00 C ATOM 0 H ALA A 38 2.981 2.537 -11.188 1.00 0.00 H new ATOM 0 HA ALA A 38 5.362 4.308 -11.637 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.219 3.371 -13.904 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.353 2.084 -12.682 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.780 2.435 -13.437 1.00 0.00 H new ATOM 603 N ASP A 39 2.620 5.127 -13.222 1.00 0.00 N ATOM 604 CA ASP A 39 1.784 6.301 -13.624 1.00 0.00 C ATOM 605 C ASP A 39 0.234 5.992 -13.497 1.00 0.00 C ATOM 606 O ASP A 39 -0.565 6.360 -14.360 1.00 0.00 O ATOM 607 CB ASP A 39 2.284 6.715 -15.046 1.00 0.00 C ATOM 608 CG ASP A 39 2.100 8.173 -15.471 1.00 0.00 C ATOM 609 OD1 ASP A 39 1.756 9.036 -14.636 1.00 0.00 O ATOM 610 OD2 ASP A 39 2.368 8.466 -16.657 1.00 0.00 O ATOM 0 H ASP A 39 2.319 4.249 -13.646 1.00 0.00 H new ATOM 0 HA ASP A 39 1.902 7.153 -12.955 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.346 6.479 -15.109 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.774 6.087 -15.776 1.00 0.00 H new ATOM 615 N ASP A 40 -0.215 5.335 -12.403 1.00 0.00 N ATOM 616 CA ASP A 40 -1.604 4.783 -12.270 1.00 0.00 C ATOM 617 C ASP A 40 -2.192 5.011 -10.803 1.00 0.00 C ATOM 618 O ASP A 40 -1.400 5.068 -9.851 1.00 0.00 O ATOM 619 CB ASP A 40 -1.543 3.280 -12.709 1.00 0.00 C ATOM 620 CG ASP A 40 -2.708 2.714 -13.509 1.00 0.00 C ATOM 621 OD1 ASP A 40 -3.415 3.465 -14.213 1.00 0.00 O ATOM 622 OD2 ASP A 40 -2.919 1.485 -13.436 1.00 0.00 O ATOM 0 H ASP A 40 0.367 5.167 -11.582 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.305 5.310 -12.917 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.637 3.142 -13.299 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.433 2.675 -11.809 1.00 0.00 H new ATOM 627 N PRO A 41 -3.533 5.146 -10.547 1.00 0.00 N ATOM 628 CA PRO A 41 -4.116 5.489 -9.214 1.00 0.00 C ATOM 629 C PRO A 41 -3.615 4.815 -7.888 1.00 0.00 C ATOM 630 O PRO A 41 -3.621 3.593 -7.717 1.00 0.00 O ATOM 631 CB PRO A 41 -5.611 5.197 -9.448 1.00 0.00 C ATOM 632 CG PRO A 41 -5.868 5.454 -10.935 1.00 0.00 C ATOM 633 CD PRO A 41 -4.547 5.110 -11.617 1.00 0.00 C ATOM 0 HA PRO A 41 -3.803 6.506 -8.976 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.853 4.168 -9.183 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.235 5.841 -8.828 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.682 4.833 -11.310 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.149 6.491 -11.116 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.591 4.126 -12.084 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.313 5.827 -12.404 1.00 0.00 H new ATOM 641 N VAL A 42 -3.239 5.653 -6.913 1.00 0.00 N ATOM 642 CA VAL A 42 -2.550 5.236 -5.653 1.00 0.00 C ATOM 643 C VAL A 42 -3.441 5.512 -4.388 1.00 0.00 C ATOM 644 O VAL A 42 -3.828 6.658 -4.141 1.00 0.00 O ATOM 645 CB VAL A 42 -1.116 5.890 -5.610 1.00 0.00 C ATOM 646 CG1 VAL A 42 -1.071 7.433 -5.718 1.00 0.00 C ATOM 647 CG2 VAL A 42 -0.285 5.458 -4.382 1.00 0.00 C ATOM 0 H VAL A 42 -3.401 6.659 -6.964 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.403 4.156 -5.640 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.669 5.495 -6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.035 7.771 -5.677 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.517 7.745 -6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.629 7.872 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.690 5.944 -4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.806 5.749 -3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.152 4.376 -4.395 1.00 0.00 H new ATOM 657 N VAL A 43 -3.733 4.490 -3.561 1.00 0.00 N ATOM 658 CA VAL A 43 -4.673 4.606 -2.398 1.00 0.00 C ATOM 659 C VAL A 43 -3.899 4.692 -1.040 1.00 0.00 C ATOM 660 O VAL A 43 -3.289 3.713 -0.602 1.00 0.00 O ATOM 661 CB VAL A 43 -5.794 3.489 -2.374 1.00 0.00 C ATOM 662 CG1 VAL A 43 -7.205 4.060 -2.118 1.00 0.00 C ATOM 663 CG2 VAL A 43 -5.955 2.549 -3.589 1.00 0.00 C ATOM 0 H VAL A 43 -3.332 3.558 -3.668 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.206 5.547 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.395 2.888 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.931 3.247 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.222 4.568 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.459 4.768 -2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.768 1.848 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.182 3.138 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.029 1.997 -3.747 1.00 0.00 H new ATOM 673 N LEU A 44 -3.910 5.850 -0.358 1.00 0.00 N ATOM 674 CA LEU A 44 -3.131 6.062 0.897 1.00 0.00 C ATOM 675 C LEU A 44 -3.885 6.901 1.982 1.00 0.00 C ATOM 676 O LEU A 44 -4.944 7.488 1.752 1.00 0.00 O ATOM 677 CB LEU A 44 -1.699 6.554 0.520 1.00 0.00 C ATOM 678 CG LEU A 44 -1.462 7.917 -0.187 1.00 0.00 C ATOM 679 CD1 LEU A 44 -1.771 9.140 0.693 1.00 0.00 C ATOM 680 CD2 LEU A 44 0.011 7.991 -0.628 1.00 0.00 C ATOM 0 H LEU A 44 -4.450 6.665 -0.649 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.016 5.112 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.119 6.572 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.260 5.787 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.150 7.956 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.581 10.052 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.817 9.114 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.135 9.122 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.194 8.943 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.657 7.909 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.226 7.174 -1.316 1.00 0.00 H new ATOM 692 N GLY A 45 -3.334 6.948 3.206 1.00 0.00 N ATOM 693 CA GLY A 45 -3.928 7.704 4.335 1.00 0.00 C ATOM 694 C GLY A 45 -3.458 9.160 4.480 1.00 0.00 C ATOM 695 O GLY A 45 -2.357 9.550 4.089 1.00 0.00 O ATOM 0 H GLY A 45 -2.467 6.467 3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.012 7.701 4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.704 7.175 5.261 1.00 0.00 H new ATOM 699 N ARG A 46 -4.311 9.979 5.105 1.00 0.00 N ATOM 700 CA ARG A 46 -4.026 11.433 5.284 1.00 0.00 C ATOM 701 C ARG A 46 -2.899 11.854 6.309 1.00 0.00 C ATOM 702 O ARG A 46 -2.533 13.032 6.319 1.00 0.00 O ATOM 703 CB ARG A 46 -5.414 12.111 5.483 1.00 0.00 C ATOM 704 CG ARG A 46 -5.510 13.654 5.324 1.00 0.00 C ATOM 705 CD ARG A 46 -5.338 14.494 6.607 1.00 0.00 C ATOM 706 NE ARG A 46 -6.421 14.238 7.605 1.00 0.00 N ATOM 707 CZ ARG A 46 -6.245 13.753 8.831 1.00 0.00 C ATOM 708 NH1 ARG A 46 -5.086 13.403 9.320 1.00 0.00 N ATOM 709 NH2 ARG A 46 -7.289 13.617 9.587 1.00 0.00 N ATOM 0 H ARG A 46 -5.202 9.676 5.498 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.524 11.804 4.391 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.109 11.660 4.775 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.768 11.857 6.482 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.753 13.970 4.606 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.481 13.892 4.889 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.371 14.270 7.058 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.330 15.552 6.347 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.377 14.454 7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.244 13.495 8.752 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.023 13.038 10.270 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.210 13.879 9.236 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.189 13.248 10.533 1.00 0.00 H new ATOM 723 N THR A 47 -2.313 10.953 7.122 1.00 0.00 N ATOM 724 CA THR A 47 -1.010 11.218 7.820 1.00 0.00 C ATOM 725 C THR A 47 0.205 11.222 6.824 1.00 0.00 C ATOM 726 O THR A 47 0.743 12.302 6.578 1.00 0.00 O ATOM 727 CB THR A 47 -0.812 10.264 9.034 1.00 0.00 C ATOM 728 OG1 THR A 47 -1.932 10.238 9.903 1.00 0.00 O ATOM 729 CG2 THR A 47 0.370 10.603 9.961 1.00 0.00 C ATOM 0 H THR A 47 -2.709 10.034 7.320 1.00 0.00 H new ATOM 0 HA THR A 47 -1.052 12.227 8.229 1.00 0.00 H new ATOM 0 HB THR A 47 -0.638 9.315 8.527 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.756 9.623 10.646 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.416 9.876 10.772 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.299 10.571 9.392 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.232 11.602 10.376 1.00 0.00 H new ATOM 737 N THR A 48 0.599 10.093 6.196 1.00 0.00 N ATOM 738 CA THR A 48 1.642 10.053 5.108 1.00 0.00 C ATOM 739 C THR A 48 1.501 11.045 3.891 1.00 0.00 C ATOM 740 O THR A 48 2.499 11.556 3.375 1.00 0.00 O ATOM 741 CB THR A 48 1.847 8.565 4.679 1.00 0.00 C ATOM 742 OG1 THR A 48 2.979 8.449 3.833 1.00 0.00 O ATOM 743 CG2 THR A 48 0.688 7.878 3.936 1.00 0.00 C ATOM 0 H THR A 48 0.212 9.175 6.418 1.00 0.00 H new ATOM 0 HA THR A 48 2.545 10.465 5.559 1.00 0.00 H new ATOM 0 HB THR A 48 1.950 8.059 5.639 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.098 7.512 3.572 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.966 6.851 3.699 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.200 7.877 4.568 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.476 8.419 3.014 1.00 0.00 H new ATOM 751 N PHE A 49 0.259 11.367 3.495 1.00 0.00 N ATOM 752 CA PHE A 49 -0.075 12.560 2.659 1.00 0.00 C ATOM 753 C PHE A 49 0.529 13.957 3.054 1.00 0.00 C ATOM 754 O PHE A 49 0.754 14.772 2.157 1.00 0.00 O ATOM 755 CB PHE A 49 -1.626 12.642 2.653 1.00 0.00 C ATOM 756 CG PHE A 49 -2.239 13.705 1.723 1.00 0.00 C ATOM 757 CD1 PHE A 49 -2.455 13.420 0.375 1.00 0.00 C ATOM 758 CD2 PHE A 49 -2.482 15.001 2.197 1.00 0.00 C ATOM 759 CE1 PHE A 49 -2.902 14.412 -0.492 1.00 0.00 C ATOM 760 CE2 PHE A 49 -2.928 15.995 1.332 1.00 0.00 C ATOM 761 CZ PHE A 49 -3.133 15.702 -0.017 1.00 0.00 C ATOM 0 H PHE A 49 -0.558 10.809 3.742 1.00 0.00 H new ATOM 0 HA PHE A 49 0.394 12.388 1.690 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.021 11.667 2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.964 12.839 3.670 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.274 12.423 0.002 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.322 15.230 3.240 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.070 14.182 -1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.115 16.992 1.704 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.470 16.474 -0.692 1.00 0.00 H new ATOM 771 N GLU A 50 0.743 14.294 4.346 1.00 0.00 N ATOM 772 CA GLU A 50 1.530 15.509 4.715 1.00 0.00 C ATOM 773 C GLU A 50 2.964 15.620 4.056 1.00 0.00 C ATOM 774 O GLU A 50 3.380 16.714 3.681 1.00 0.00 O ATOM 775 CB GLU A 50 1.416 15.828 6.238 1.00 0.00 C ATOM 776 CG GLU A 50 2.582 15.405 7.181 1.00 0.00 C ATOM 777 CD GLU A 50 3.633 16.477 7.439 1.00 0.00 C ATOM 778 OE1 GLU A 50 3.260 17.622 7.780 1.00 0.00 O ATOM 779 OE2 GLU A 50 4.834 16.170 7.322 1.00 0.00 O ATOM 0 H GLU A 50 0.393 13.759 5.141 1.00 0.00 H new ATOM 0 HA GLU A 50 1.049 16.355 4.224 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.282 16.905 6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.505 15.357 6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.160 15.096 8.137 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.075 14.532 6.753 1.00 0.00 H new ATOM 786 N SER A 51 3.665 14.512 3.778 1.00 0.00 N ATOM 787 CA SER A 51 4.796 14.508 2.803 1.00 0.00 C ATOM 788 C SER A 51 4.398 14.507 1.274 1.00 0.00 C ATOM 789 O SER A 51 4.950 15.308 0.519 1.00 0.00 O ATOM 790 CB SER A 51 5.764 13.363 3.188 1.00 0.00 C ATOM 791 OG SER A 51 6.178 13.421 4.564 1.00 0.00 O ATOM 0 H SER A 51 3.480 13.605 4.205 1.00 0.00 H new ATOM 0 HA SER A 51 5.298 15.472 2.889 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.279 12.405 2.999 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.644 13.407 2.547 1.00 0.00 H new ATOM 0 HG SER A 51 6.786 12.676 4.754 1.00 0.00 H new ATOM 797 N MET A 52 3.442 13.676 0.805 1.00 0.00 N ATOM 798 CA MET A 52 3.011 13.600 -0.642 1.00 0.00 C ATOM 799 C MET A 52 2.214 14.830 -1.274 1.00 0.00 C ATOM 800 O MET A 52 1.457 14.676 -2.237 1.00 0.00 O ATOM 801 CB MET A 52 2.177 12.292 -0.839 1.00 0.00 C ATOM 802 CG MET A 52 2.654 10.946 -0.251 1.00 0.00 C ATOM 803 SD MET A 52 4.423 10.664 -0.464 1.00 0.00 S ATOM 804 CE MET A 52 4.564 9.258 0.657 1.00 0.00 C ATOM 0 H MET A 52 2.934 13.029 1.408 1.00 0.00 H new ATOM 0 HA MET A 52 3.953 13.620 -1.190 1.00 0.00 H new ATOM 0 HB2 MET A 52 1.184 12.483 -0.433 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.060 12.147 -1.913 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.413 10.916 0.812 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.103 10.134 -0.726 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.598 8.914 0.680 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.259 9.560 1.659 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.920 8.450 0.310 1.00 0.00 H new ATOM 814 N ARG A 53 2.384 16.058 -0.754 1.00 0.00 N ATOM 815 CA ARG A 53 1.882 17.315 -1.405 1.00 0.00 C ATOM 816 C ARG A 53 2.829 17.985 -2.468 1.00 0.00 C ATOM 817 O ARG A 53 2.324 18.717 -3.325 1.00 0.00 O ATOM 818 CB ARG A 53 1.533 18.345 -0.288 1.00 0.00 C ATOM 819 CG ARG A 53 0.354 18.004 0.675 1.00 0.00 C ATOM 820 CD ARG A 53 0.666 18.211 2.171 1.00 0.00 C ATOM 821 NE ARG A 53 1.051 19.625 2.470 1.00 0.00 N ATOM 822 CZ ARG A 53 2.070 20.014 3.237 1.00 0.00 C ATOM 823 NH1 ARG A 53 2.726 19.254 4.053 1.00 0.00 N ATOM 824 NH2 ARG A 53 2.457 21.241 3.165 1.00 0.00 N ATOM 0 H ARG A 53 2.870 16.224 0.127 1.00 0.00 H new ATOM 0 HA ARG A 53 1.011 17.010 -1.985 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.426 18.497 0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.308 19.297 -0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.505 18.619 0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.063 16.965 0.518 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.207 17.939 2.765 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.475 17.544 2.469 1.00 0.00 H new ATOM 0 HE ARG A 53 0.482 20.359 2.049 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.475 18.270 4.147 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.495 19.639 4.602 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.986 21.888 2.532 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.234 21.565 3.741 1.00 0.00 H new ATOM 838 N ASP A 54 4.153 17.786 -2.389 1.00 0.00 N ATOM 839 CA ASP A 54 5.153 18.386 -3.317 1.00 0.00 C ATOM 840 C ASP A 54 5.378 17.573 -4.658 1.00 0.00 C ATOM 841 O ASP A 54 5.468 18.180 -5.730 1.00 0.00 O ATOM 842 CB ASP A 54 6.448 18.601 -2.473 1.00 0.00 C ATOM 843 CG ASP A 54 6.412 19.720 -1.409 1.00 0.00 C ATOM 844 OD1 ASP A 54 5.673 19.599 -0.402 1.00 0.00 O ATOM 845 OD2 ASP A 54 7.144 20.722 -1.569 1.00 0.00 O ATOM 0 H ASP A 54 4.577 17.197 -1.672 1.00 0.00 H new ATOM 0 HA ASP A 54 4.786 19.336 -3.704 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.685 17.663 -1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.269 18.812 -3.159 1.00 0.00 H new ATOM 850 N ASP A 55 5.444 16.225 -4.610 1.00 0.00 N ATOM 851 CA ASP A 55 5.357 15.323 -5.806 1.00 0.00 C ATOM 852 C ASP A 55 4.286 14.194 -5.532 1.00 0.00 C ATOM 853 O ASP A 55 4.139 13.702 -4.403 1.00 0.00 O ATOM 854 CB ASP A 55 6.796 14.815 -6.139 1.00 0.00 C ATOM 855 CG ASP A 55 7.002 13.891 -7.351 1.00 0.00 C ATOM 856 OD1 ASP A 55 6.130 13.825 -8.241 1.00 0.00 O ATOM 857 OD2 ASP A 55 8.063 13.227 -7.423 1.00 0.00 O ATOM 0 H ASP A 55 5.561 15.715 -3.735 1.00 0.00 H new ATOM 0 HA ASP A 55 5.002 15.840 -6.698 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.428 15.691 -6.283 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.171 14.292 -5.260 1.00 0.00 H new ATOM 862 N LEU A 56 3.521 13.788 -6.564 1.00 0.00 N ATOM 863 CA LEU A 56 2.504 12.700 -6.433 1.00 0.00 C ATOM 864 C LEU A 56 3.106 11.318 -6.897 1.00 0.00 C ATOM 865 O LEU A 56 3.512 11.223 -8.061 1.00 0.00 O ATOM 866 CB LEU A 56 1.183 12.996 -7.219 1.00 0.00 C ATOM 867 CG LEU A 56 0.263 14.202 -6.857 1.00 0.00 C ATOM 868 CD1 LEU A 56 0.208 14.548 -5.356 1.00 0.00 C ATOM 869 CD2 LEU A 56 0.612 15.457 -7.676 1.00 0.00 C ATOM 0 H LEU A 56 3.580 14.190 -7.500 1.00 0.00 H new ATOM 0 HA LEU A 56 2.243 12.651 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.459 13.114 -8.267 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.568 12.099 -7.151 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.737 13.861 -7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.456 15.399 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.167 13.690 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.208 14.801 -5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.053 16.273 -7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.645 15.745 -7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.492 15.243 -8.738 1.00 0.00 H new ATOM 881 N PRO A 57 3.126 10.201 -6.098 1.00 0.00 N ATOM 882 CA PRO A 57 3.607 8.868 -6.590 1.00 0.00 C ATOM 883 C PRO A 57 3.090 8.256 -7.939 1.00 0.00 C ATOM 884 O PRO A 57 3.854 7.580 -8.633 1.00 0.00 O ATOM 885 CB PRO A 57 3.308 7.972 -5.374 1.00 0.00 C ATOM 886 CG PRO A 57 3.446 8.895 -4.160 1.00 0.00 C ATOM 887 CD PRO A 57 2.900 10.243 -4.638 1.00 0.00 C ATOM 0 HA PRO A 57 4.645 8.970 -6.907 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.307 7.546 -5.434 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.007 7.137 -5.317 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.880 8.517 -3.308 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.485 8.978 -3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.843 10.357 -4.397 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.425 11.078 -4.173 1.00 0.00 H new ATOM 895 N GLY A 58 1.822 8.496 -8.290 1.00 0.00 N ATOM 896 CA GLY A 58 1.282 8.220 -9.651 1.00 0.00 C ATOM 897 C GLY A 58 0.018 9.050 -10.005 1.00 0.00 C ATOM 898 O GLY A 58 -0.351 10.011 -9.316 1.00 0.00 O ATOM 0 H GLY A 58 1.132 8.887 -7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.058 8.426 -10.388 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.042 7.160 -9.728 1.00 0.00 H new ATOM 902 N SER A 59 -0.636 8.695 -11.118 1.00 0.00 N ATOM 903 CA SER A 59 -1.621 9.597 -11.794 1.00 0.00 C ATOM 904 C SER A 59 -3.052 9.815 -11.181 1.00 0.00 C ATOM 905 O SER A 59 -3.811 10.613 -11.732 1.00 0.00 O ATOM 906 CB SER A 59 -1.678 9.208 -13.293 1.00 0.00 C ATOM 907 OG SER A 59 -2.415 8.003 -13.516 1.00 0.00 O ATOM 0 H SER A 59 -0.512 7.795 -11.581 1.00 0.00 H new ATOM 0 HA SER A 59 -1.218 10.594 -11.619 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.135 10.020 -13.859 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.664 9.086 -13.673 1.00 0.00 H new ATOM 0 HG SER A 59 -1.855 7.363 -14.003 1.00 0.00 H new ATOM 913 N ALA A 60 -3.439 9.215 -10.039 1.00 0.00 N ATOM 914 CA ALA A 60 -4.542 9.749 -9.192 1.00 0.00 C ATOM 915 C ALA A 60 -4.241 9.556 -7.673 1.00 0.00 C ATOM 916 O ALA A 60 -4.294 8.436 -7.157 1.00 0.00 O ATOM 917 CB ALA A 60 -5.886 9.139 -9.634 1.00 0.00 C ATOM 0 H ALA A 60 -3.011 8.363 -9.676 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.617 10.827 -9.337 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.688 9.534 -9.010 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.077 9.396 -10.676 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.846 8.055 -9.529 1.00 0.00 H new ATOM 923 N GLN A 61 -3.946 10.648 -6.941 1.00 0.00 N ATOM 924 CA GLN A 61 -3.665 10.585 -5.478 1.00 0.00 C ATOM 925 C GLN A 61 -4.974 10.409 -4.637 1.00 0.00 C ATOM 926 O GLN A 61 -5.692 11.374 -4.336 1.00 0.00 O ATOM 927 CB GLN A 61 -2.816 11.841 -5.106 1.00 0.00 C ATOM 928 CG GLN A 61 -2.458 12.070 -3.601 1.00 0.00 C ATOM 929 CD GLN A 61 -1.491 11.149 -2.847 1.00 0.00 C ATOM 930 OE1 GLN A 61 -0.789 11.571 -1.941 1.00 0.00 O ATOM 931 NE2 GLN A 61 -1.472 9.871 -3.087 1.00 0.00 N ATOM 0 H GLN A 61 -3.894 11.589 -7.332 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.084 9.697 -5.229 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.883 11.790 -5.667 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.352 12.722 -5.459 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.055 13.080 -3.524 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.398 12.059 -3.049 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.046 9.484 -3.836 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.883 9.255 -2.526 1.00 0.00 H new ATOM 940 N ILE A 62 -5.284 9.158 -4.256 1.00 0.00 N ATOM 941 CA ILE A 62 -6.488 8.820 -3.448 1.00 0.00 C ATOM 942 C ILE A 62 -6.109 8.903 -1.918 1.00 0.00 C ATOM 943 O ILE A 62 -5.147 8.283 -1.460 1.00 0.00 O ATOM 944 CB ILE A 62 -7.180 7.473 -3.880 1.00 0.00 C ATOM 945 CG1 ILE A 62 -7.472 7.322 -5.406 1.00 0.00 C ATOM 946 CG2 ILE A 62 -8.498 7.262 -3.082 1.00 0.00 C ATOM 947 CD1 ILE A 62 -7.780 5.878 -5.861 1.00 0.00 C ATOM 0 H ILE A 62 -4.713 8.347 -4.495 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.268 9.557 -3.643 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.445 6.703 -3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.317 7.959 -5.666 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.612 7.690 -5.965 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.965 6.327 -3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.275 7.221 -2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.179 8.090 -3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.970 5.867 -6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.928 5.236 -5.637 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.660 5.510 -5.333 1.00 0.00 H new ATOM 959 N VAL A 63 -6.863 9.693 -1.130 1.00 0.00 N ATOM 960 CA VAL A 63 -6.467 10.115 0.253 1.00 0.00 C ATOM 961 C VAL A 63 -7.605 9.836 1.313 1.00 0.00 C ATOM 962 O VAL A 63 -8.597 10.571 1.404 1.00 0.00 O ATOM 963 CB VAL A 63 -5.881 11.581 0.226 1.00 0.00 C ATOM 964 CG1 VAL A 63 -6.723 12.678 -0.474 1.00 0.00 C ATOM 965 CG2 VAL A 63 -5.482 12.110 1.624 1.00 0.00 C ATOM 0 H VAL A 63 -7.767 10.064 -1.423 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.650 9.488 0.611 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.004 11.419 -0.401 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.199 13.632 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.873 12.410 -1.520 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.690 12.765 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.087 13.122 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.358 12.120 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.719 11.461 2.054 1.00 0.00 H new ATOM 975 N MET A 64 -7.446 8.810 2.177 1.00 0.00 N ATOM 976 CA MET A 64 -8.429 8.467 3.254 1.00 0.00 C ATOM 977 C MET A 64 -8.424 9.471 4.459 1.00 0.00 C ATOM 978 O MET A 64 -7.406 9.672 5.134 1.00 0.00 O ATOM 979 CB MET A 64 -8.181 7.026 3.775 1.00 0.00 C ATOM 980 CG MET A 64 -8.635 5.863 2.876 1.00 0.00 C ATOM 981 SD MET A 64 -7.462 5.570 1.537 1.00 0.00 S ATOM 982 CE MET A 64 -7.868 3.852 1.180 1.00 0.00 C ATOM 0 H MET A 64 -6.636 8.190 2.156 1.00 0.00 H new ATOM 0 HA MET A 64 -9.413 8.538 2.791 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.113 6.913 3.959 1.00 0.00 H new ATOM 0 HB3 MET A 64 -8.683 6.924 4.737 1.00 0.00 H new ATOM 0 HG2 MET A 64 -8.740 4.958 3.474 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.617 6.085 2.459 1.00 0.00 H new ATOM 0 HE1 MET A 64 -6.977 3.334 0.826 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.233 3.368 2.086 1.00 0.00 H new ATOM 0 HE3 MET A 64 -8.640 3.813 0.412 1.00 0.00 H new ATOM 992 N SER A 65 -9.575 10.110 4.731 1.00 0.00 N ATOM 993 CA SER A 65 -9.684 11.224 5.714 1.00 0.00 C ATOM 994 C SER A 65 -11.038 11.188 6.509 1.00 0.00 C ATOM 995 O SER A 65 -12.125 11.102 5.935 1.00 0.00 O ATOM 996 CB SER A 65 -9.411 12.555 4.962 1.00 0.00 C ATOM 997 OG SER A 65 -10.365 12.818 3.926 1.00 0.00 O ATOM 0 H SER A 65 -10.460 9.876 4.281 1.00 0.00 H new ATOM 0 HA SER A 65 -8.932 11.118 6.496 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.422 13.378 5.676 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.411 12.523 4.528 1.00 0.00 H new ATOM 0 HG SER A 65 -10.147 13.667 3.488 1.00 0.00 H new ATOM 1088 N PHE A 71 -9.496 17.828 -1.408 1.00 0.00 N ATOM 1089 CA PHE A 71 -8.204 18.556 -1.548 1.00 0.00 C ATOM 1090 C PHE A 71 -8.090 19.197 -2.965 1.00 0.00 C ATOM 1091 O PHE A 71 -8.330 18.539 -3.982 1.00 0.00 O ATOM 1092 CB PHE A 71 -7.042 17.571 -1.224 1.00 0.00 C ATOM 1093 CG PHE A 71 -6.903 17.195 0.266 1.00 0.00 C ATOM 1094 CD1 PHE A 71 -6.173 18.019 1.129 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -7.479 16.024 0.773 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -6.000 17.669 2.464 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -7.304 15.670 2.108 1.00 0.00 C ATOM 1098 CZ PHE A 71 -6.561 16.492 2.954 1.00 0.00 C ATOM 0 HA PHE A 71 -8.148 19.384 -0.841 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.188 16.658 -1.802 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.105 18.015 -1.560 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.740 18.935 0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.064 15.390 0.123 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.431 18.310 3.121 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.743 14.759 2.488 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.420 16.216 3.989 1.00 0.00 H new ATOM 1108 N SER A 72 -7.701 20.481 -3.022 1.00 0.00 N ATOM 1109 CA SER A 72 -7.375 21.171 -4.301 1.00 0.00 C ATOM 1110 C SER A 72 -5.969 20.765 -4.851 1.00 0.00 C ATOM 1111 O SER A 72 -4.937 21.355 -4.517 1.00 0.00 O ATOM 1112 CB SER A 72 -7.513 22.699 -4.077 1.00 0.00 C ATOM 1113 OG SER A 72 -8.842 23.073 -3.696 1.00 0.00 O ATOM 0 H SER A 72 -7.601 21.073 -2.197 1.00 0.00 H new ATOM 0 HA SER A 72 -8.077 20.859 -5.074 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.813 23.016 -3.304 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.238 23.225 -4.991 1.00 0.00 H new ATOM 0 HG SER A 72 -8.884 24.043 -3.564 1.00 0.00 H new ATOM 1119 N VAL A 73 -5.965 19.711 -5.671 1.00 0.00 N ATOM 1120 CA VAL A 73 -4.776 19.257 -6.460 1.00 0.00 C ATOM 1121 C VAL A 73 -5.281 18.989 -7.938 1.00 0.00 C ATOM 1122 O VAL A 73 -6.466 19.154 -8.269 1.00 0.00 O ATOM 1123 CB VAL A 73 -4.032 18.041 -5.760 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -2.604 17.773 -6.307 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -3.851 18.126 -4.221 1.00 0.00 C ATOM 0 H VAL A 73 -6.790 19.129 -5.820 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.998 20.020 -6.502 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.732 17.242 -6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.164 16.928 -5.778 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.659 17.545 -7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.985 18.657 -6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.330 17.237 -3.866 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.267 19.012 -3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.828 18.189 -3.743 1.00 0.00 H new ATOM 1135 N ASP A 74 -4.402 18.553 -8.843 1.00 0.00 N ATOM 1136 CA ASP A 74 -4.736 18.297 -10.276 1.00 0.00 C ATOM 1137 C ASP A 74 -5.779 17.135 -10.484 1.00 0.00 C ATOM 1138 O ASP A 74 -6.884 17.364 -10.990 1.00 0.00 O ATOM 1139 CB ASP A 74 -3.382 18.079 -11.013 1.00 0.00 C ATOM 1140 CG ASP A 74 -2.440 19.285 -11.065 1.00 0.00 C ATOM 1141 OD1 ASP A 74 -1.739 19.525 -10.059 1.00 0.00 O ATOM 1142 OD2 ASP A 74 -2.415 20.003 -12.088 1.00 0.00 O ATOM 0 H ASP A 74 -3.426 18.361 -8.616 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.258 19.152 -10.705 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.857 17.255 -10.530 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.595 17.766 -12.035 1.00 0.00 H new ATOM 1147 N THR A 75 -5.459 15.905 -10.049 1.00 0.00 N ATOM 1148 CA THR A 75 -6.428 14.762 -10.011 1.00 0.00 C ATOM 1149 C THR A 75 -6.333 13.921 -8.681 1.00 0.00 C ATOM 1150 O THR A 75 -6.085 12.711 -8.656 1.00 0.00 O ATOM 1151 CB THR A 75 -6.406 13.986 -11.360 1.00 0.00 C ATOM 1152 OG1 THR A 75 -7.414 12.982 -11.341 1.00 0.00 O ATOM 1153 CG2 THR A 75 -5.061 13.343 -11.740 1.00 0.00 C ATOM 0 H THR A 75 -4.528 15.660 -9.712 1.00 0.00 H new ATOM 0 HA THR A 75 -7.447 15.143 -9.943 1.00 0.00 H new ATOM 0 HB THR A 75 -6.589 14.741 -12.125 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.404 12.492 -12.190 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.161 12.829 -12.696 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.298 14.117 -11.822 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.770 12.626 -10.972 1.00 0.00 H new ATOM 1161 N ALA A 76 -6.615 14.583 -7.543 1.00 0.00 N ATOM 1162 CA ALA A 76 -6.718 13.923 -6.219 1.00 0.00 C ATOM 1163 C ALA A 76 -8.205 13.693 -5.788 1.00 0.00 C ATOM 1164 O ALA A 76 -9.083 14.540 -5.991 1.00 0.00 O ATOM 1165 CB ALA A 76 -5.943 14.812 -5.227 1.00 0.00 C ATOM 0 H ALA A 76 -6.778 15.589 -7.511 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.286 12.923 -6.249 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.987 14.370 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.903 14.890 -5.544 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.390 15.806 -5.203 1.00 0.00 H new ATOM 1171 N HIS A 77 -8.496 12.528 -5.188 1.00 0.00 N ATOM 1172 CA HIS A 77 -9.860 12.193 -4.684 1.00 0.00 C ATOM 1173 C HIS A 77 -9.763 11.708 -3.201 1.00 0.00 C ATOM 1174 O HIS A 77 -8.990 10.799 -2.907 1.00 0.00 O ATOM 1175 CB HIS A 77 -10.504 11.110 -5.594 1.00 0.00 C ATOM 1176 CG HIS A 77 -10.940 11.559 -6.995 1.00 0.00 C ATOM 1177 ND1 HIS A 77 -12.265 11.779 -7.344 1.00 0.00 N ATOM 1178 CD2 HIS A 77 -10.122 11.675 -8.142 1.00 0.00 C ATOM 1179 CE1 HIS A 77 -12.147 11.996 -8.694 1.00 0.00 C ATOM 1180 NE2 HIS A 77 -10.901 11.965 -9.258 1.00 0.00 N ATOM 0 H HIS A 77 -7.808 11.791 -5.034 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.495 13.078 -4.713 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.793 10.292 -5.705 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -11.376 10.707 -5.079 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.049 11.556 -8.151 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -13.021 12.187 -9.299 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -10.621 12.113 -10.227 1.00 0.00 H new ATOM 1189 N ARG A 78 -10.535 12.270 -2.255 1.00 0.00 N ATOM 1190 CA ARG A 78 -10.585 11.727 -0.860 1.00 0.00 C ATOM 1191 C ARG A 78 -11.591 10.524 -0.723 1.00 0.00 C ATOM 1192 O ARG A 78 -12.595 10.465 -1.441 1.00 0.00 O ATOM 1193 CB ARG A 78 -10.717 12.918 0.161 1.00 0.00 C ATOM 1194 CG ARG A 78 -11.941 13.020 1.105 1.00 0.00 C ATOM 1195 CD ARG A 78 -13.293 13.207 0.395 1.00 0.00 C ATOM 1196 NE ARG A 78 -14.351 12.603 1.255 1.00 0.00 N ATOM 1197 CZ ARG A 78 -15.168 11.621 0.906 1.00 0.00 C ATOM 1198 NH1 ARG A 78 -15.230 11.137 -0.291 1.00 0.00 N ATOM 1199 NH2 ARG A 78 -15.945 11.108 1.807 1.00 0.00 N ATOM 0 H ARG A 78 -11.128 13.085 -2.412 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.645 11.243 -0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.827 12.901 0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.680 13.841 -0.417 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.989 12.117 1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.787 13.856 1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.494 14.266 0.230 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.279 12.729 -0.584 1.00 0.00 H new ATOM 0 HE ARG A 78 -14.455 12.980 2.197 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.629 11.513 -1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.880 10.379 -0.502 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.920 11.461 2.763 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.582 10.351 1.560 1.00 0.00 H new ATOM 1213 N ALA A 79 -11.334 9.603 0.217 1.00 0.00 N ATOM 1214 CA ALA A 79 -12.285 8.509 0.584 1.00 0.00 C ATOM 1215 C ALA A 79 -12.667 8.498 2.114 1.00 0.00 C ATOM 1216 O ALA A 79 -11.904 8.983 2.964 1.00 0.00 O ATOM 1217 CB ALA A 79 -11.603 7.209 0.104 1.00 0.00 C ATOM 0 H ALA A 79 -10.466 9.583 0.752 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.254 8.645 0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.240 6.356 0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.443 7.258 -0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.644 7.094 0.608 1.00 0.00 H new ATOM 1223 N ALA A 80 -13.845 7.945 2.474 1.00 0.00 N ATOM 1224 CA ALA A 80 -14.207 7.622 3.896 1.00 0.00 C ATOM 1225 C ALA A 80 -14.433 6.112 4.280 1.00 0.00 C ATOM 1226 O ALA A 80 -14.077 5.717 5.392 1.00 0.00 O ATOM 1227 CB ALA A 80 -15.431 8.470 4.300 1.00 0.00 C ATOM 0 H ALA A 80 -14.575 7.707 1.803 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.311 7.873 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -15.705 8.245 5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -15.185 9.528 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.269 8.236 3.643 1.00 0.00 H new ATOM 1233 N SER A 81 -15.067 5.304 3.415 1.00 0.00 N ATOM 1234 CA SER A 81 -15.280 3.836 3.629 1.00 0.00 C ATOM 1235 C SER A 81 -14.393 2.937 2.688 1.00 0.00 C ATOM 1236 O SER A 81 -13.604 3.433 1.877 1.00 0.00 O ATOM 1237 CB SER A 81 -16.812 3.595 3.464 1.00 0.00 C ATOM 1238 OG SER A 81 -17.200 2.269 3.847 1.00 0.00 O ATOM 0 H SER A 81 -15.456 5.641 2.534 1.00 0.00 H new ATOM 0 HA SER A 81 -14.954 3.537 4.625 1.00 0.00 H new ATOM 0 HB2 SER A 81 -17.358 4.319 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 81 -17.095 3.768 2.426 1.00 0.00 H new ATOM 0 HG SER A 81 -18.167 2.164 3.729 1.00 0.00 H new ATOM 1244 N VAL A 82 -14.552 1.602 2.765 1.00 0.00 N ATOM 1245 CA VAL A 82 -14.035 0.646 1.720 1.00 0.00 C ATOM 1246 C VAL A 82 -14.645 0.935 0.292 1.00 0.00 C ATOM 1247 O VAL A 82 -13.918 1.348 -0.617 1.00 0.00 O ATOM 1248 CB VAL A 82 -14.168 -0.835 2.247 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -13.868 -1.949 1.214 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -13.245 -1.128 3.457 1.00 0.00 C ATOM 0 H VAL A 82 -15.034 1.142 3.537 1.00 0.00 H new ATOM 0 HA VAL A 82 -12.969 0.806 1.559 1.00 0.00 H new ATOM 0 HB VAL A 82 -15.224 -0.872 2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.990 -2.924 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -14.558 -1.862 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.844 -1.846 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -13.380 -2.162 3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.206 -0.970 3.169 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -13.499 -0.459 4.279 1.00 0.00 H new ATOM 1260 N GLU A 83 -15.970 0.817 0.140 1.00 0.00 N ATOM 1261 CA GLU A 83 -16.744 1.128 -1.091 1.00 0.00 C ATOM 1262 C GLU A 83 -16.574 2.563 -1.723 1.00 0.00 C ATOM 1263 O GLU A 83 -16.556 2.674 -2.951 1.00 0.00 O ATOM 1264 CB GLU A 83 -18.236 0.780 -0.808 1.00 0.00 C ATOM 1265 CG GLU A 83 -18.623 -0.636 -0.258 1.00 0.00 C ATOM 1266 CD GLU A 83 -18.544 -0.931 1.245 1.00 0.00 C ATOM 1267 OE1 GLU A 83 -17.582 -0.517 1.927 1.00 0.00 O ATOM 1268 OE2 GLU A 83 -19.450 -1.626 1.744 1.00 0.00 O ATOM 0 H GLU A 83 -16.567 0.489 0.899 1.00 0.00 H new ATOM 0 HA GLU A 83 -16.317 0.509 -1.880 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -18.611 1.517 -0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -18.785 0.927 -1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -19.647 -0.835 -0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.987 -1.363 -0.763 1.00 0.00 H new ATOM 1275 N GLU A 84 -16.361 3.636 -0.927 1.00 0.00 N ATOM 1276 CA GLU A 84 -15.865 4.950 -1.448 1.00 0.00 C ATOM 1277 C GLU A 84 -14.556 4.917 -2.324 1.00 0.00 C ATOM 1278 O GLU A 84 -14.521 5.540 -3.379 1.00 0.00 O ATOM 1279 CB GLU A 84 -15.745 5.987 -0.290 1.00 0.00 C ATOM 1280 CG GLU A 84 -17.084 6.648 0.162 1.00 0.00 C ATOM 1281 CD GLU A 84 -16.955 8.108 0.522 1.00 0.00 C ATOM 1282 OE1 GLU A 84 -16.411 8.851 -0.303 1.00 0.00 O ATOM 1283 OE2 GLU A 84 -17.354 8.551 1.613 1.00 0.00 O ATOM 0 H GLU A 84 -16.522 3.627 0.080 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.632 5.260 -2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.295 5.493 0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.058 6.774 -0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.817 6.545 -0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.473 6.105 1.023 1.00 0.00 H new ATOM 1290 N ALA A 85 -13.497 4.202 -1.901 1.00 0.00 N ATOM 1291 CA ALA A 85 -12.347 3.876 -2.790 1.00 0.00 C ATOM 1292 C ALA A 85 -12.568 2.793 -3.914 1.00 0.00 C ATOM 1293 O ALA A 85 -11.933 2.901 -4.971 1.00 0.00 O ATOM 1294 CB ALA A 85 -11.186 3.538 -1.842 1.00 0.00 C ATOM 0 H ALA A 85 -13.406 3.836 -0.953 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.150 4.743 -3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.301 3.287 -2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.971 4.399 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.462 2.688 -1.217 1.00 0.00 H new ATOM 1300 N VAL A 86 -13.454 1.796 -3.744 1.00 0.00 N ATOM 1301 CA VAL A 86 -13.873 0.864 -4.842 1.00 0.00 C ATOM 1302 C VAL A 86 -14.653 1.560 -6.024 1.00 0.00 C ATOM 1303 O VAL A 86 -14.307 1.304 -7.180 1.00 0.00 O ATOM 1304 CB VAL A 86 -14.576 -0.429 -4.285 1.00 0.00 C ATOM 1305 CG1 VAL A 86 -14.899 -1.480 -5.374 1.00 0.00 C ATOM 1306 CG2 VAL A 86 -13.749 -1.176 -3.206 1.00 0.00 C ATOM 0 H VAL A 86 -13.907 1.602 -2.851 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.949 0.528 -5.312 1.00 0.00 H new ATOM 0 HB VAL A 86 -15.493 -0.026 -3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.382 -2.343 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -15.567 -1.042 -6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -13.976 -1.797 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.298 -2.056 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -12.793 -1.485 -3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -13.573 -0.513 -2.359 1.00 0.00 H new ATOM 1316 N ASP A 87 -15.652 2.433 -5.769 1.00 0.00 N ATOM 1317 CA ASP A 87 -16.359 3.230 -6.824 1.00 0.00 C ATOM 1318 C ASP A 87 -15.415 4.057 -7.779 1.00 0.00 C ATOM 1319 O ASP A 87 -15.390 3.826 -8.992 1.00 0.00 O ATOM 1320 CB ASP A 87 -17.439 4.061 -6.072 1.00 0.00 C ATOM 1321 CG ASP A 87 -18.473 4.750 -6.965 1.00 0.00 C ATOM 1322 OD1 ASP A 87 -19.509 4.127 -7.278 1.00 0.00 O ATOM 1323 OD2 ASP A 87 -18.262 5.922 -7.346 1.00 0.00 O ATOM 0 H ASP A 87 -16.000 2.613 -4.827 1.00 0.00 H new ATOM 0 HA ASP A 87 -16.830 2.570 -7.552 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -17.963 3.403 -5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -16.937 4.821 -5.473 1.00 0.00 H new ATOM 1328 N ILE A 88 -14.541 4.931 -7.237 1.00 0.00 N ATOM 1329 CA ILE A 88 -13.438 5.592 -8.000 1.00 0.00 C ATOM 1330 C ILE A 88 -12.329 4.663 -8.628 1.00 0.00 C ATOM 1331 O ILE A 88 -11.884 4.983 -9.722 1.00 0.00 O ATOM 1332 CB ILE A 88 -12.813 6.819 -7.223 1.00 0.00 C ATOM 1333 CG1 ILE A 88 -12.544 6.558 -5.721 1.00 0.00 C ATOM 1334 CG2 ILE A 88 -13.684 8.089 -7.416 1.00 0.00 C ATOM 1335 CD1 ILE A 88 -11.549 7.493 -5.005 1.00 0.00 C ATOM 0 H ILE A 88 -14.573 5.205 -6.255 1.00 0.00 H new ATOM 0 HA ILE A 88 -13.964 5.964 -8.879 1.00 0.00 H new ATOM 0 HB ILE A 88 -11.831 6.978 -7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.496 6.613 -5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.180 5.536 -5.617 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.237 8.922 -6.874 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.740 8.334 -8.477 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -14.688 7.903 -7.033 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.457 7.195 -3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.574 7.426 -5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.911 8.520 -5.059 1.00 0.00 H new ATOM 1347 N ALA A 89 -11.905 3.532 -8.029 1.00 0.00 N ATOM 1348 CA ALA A 89 -11.105 2.501 -8.766 1.00 0.00 C ATOM 1349 C ALA A 89 -11.789 1.752 -9.979 1.00 0.00 C ATOM 1350 O ALA A 89 -11.113 1.416 -10.950 1.00 0.00 O ATOM 1351 CB ALA A 89 -10.560 1.527 -7.704 1.00 0.00 C ATOM 0 H ALA A 89 -12.093 3.300 -7.054 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.319 3.037 -9.297 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.967 0.753 -8.191 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.935 2.072 -6.997 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.392 1.066 -7.172 1.00 0.00 H new ATOM 1357 N ALA A 90 -13.120 1.549 -9.948 1.00 0.00 N ATOM 1358 CA ALA A 90 -13.924 1.234 -11.160 1.00 0.00 C ATOM 1359 C ALA A 90 -14.136 2.425 -12.176 1.00 0.00 C ATOM 1360 O ALA A 90 -14.011 2.215 -13.385 1.00 0.00 O ATOM 1361 CB ALA A 90 -15.258 0.633 -10.667 1.00 0.00 C ATOM 0 H ALA A 90 -13.672 1.597 -9.091 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.360 0.524 -11.765 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.884 0.385 -11.524 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -15.059 -0.270 -10.090 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.774 1.359 -10.039 1.00 0.00 H new ATOM 1367 N SER A 91 -14.456 3.648 -11.719 1.00 0.00 N ATOM 1368 CA SER A 91 -14.610 4.855 -12.598 1.00 0.00 C ATOM 1369 C SER A 91 -13.310 5.472 -13.229 1.00 0.00 C ATOM 1370 O SER A 91 -13.381 6.121 -14.281 1.00 0.00 O ATOM 1371 CB SER A 91 -15.427 5.898 -11.796 1.00 0.00 C ATOM 1372 OG SER A 91 -15.854 6.996 -12.609 1.00 0.00 O ATOM 0 H SER A 91 -14.618 3.844 -10.731 1.00 0.00 H new ATOM 0 HA SER A 91 -15.126 4.519 -13.498 1.00 0.00 H new ATOM 0 HB2 SER A 91 -16.299 5.413 -11.357 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.822 6.274 -10.971 1.00 0.00 H new ATOM 0 HG SER A 91 -16.367 7.628 -12.063 1.00 0.00 H new ATOM 1378 N LEU A 92 -12.126 5.268 -12.631 1.00 0.00 N ATOM 1379 CA LEU A 92 -10.805 5.553 -13.274 1.00 0.00 C ATOM 1380 C LEU A 92 -10.210 4.466 -14.266 1.00 0.00 C ATOM 1381 O LEU A 92 -9.253 4.795 -14.968 1.00 0.00 O ATOM 1382 CB LEU A 92 -9.814 5.911 -12.130 1.00 0.00 C ATOM 1383 CG LEU A 92 -10.034 7.266 -11.387 1.00 0.00 C ATOM 1384 CD1 LEU A 92 -9.321 7.258 -10.017 1.00 0.00 C ATOM 1385 CD2 LEU A 92 -9.488 8.447 -12.206 1.00 0.00 C ATOM 0 H LEU A 92 -12.043 4.899 -11.684 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.971 6.379 -13.966 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.851 5.111 -11.390 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.806 5.915 -12.546 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.109 7.384 -11.250 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.487 8.211 -9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.721 6.451 -9.403 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.252 7.106 -10.164 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.656 9.376 -11.662 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.419 8.312 -12.371 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.001 8.491 -13.167 1.00 0.00 H new ATOM 1397 N ASP A 93 -10.754 3.226 -14.327 1.00 0.00 N ATOM 1398 CA ASP A 93 -10.435 2.195 -15.371 1.00 0.00 C ATOM 1399 C ASP A 93 -9.078 1.417 -15.205 1.00 0.00 C ATOM 1400 O ASP A 93 -9.089 0.195 -15.070 1.00 0.00 O ATOM 1401 CB ASP A 93 -10.741 2.687 -16.824 1.00 0.00 C ATOM 1402 CG ASP A 93 -11.624 1.811 -17.724 1.00 0.00 C ATOM 1403 OD1 ASP A 93 -12.218 0.814 -17.266 1.00 0.00 O ATOM 1404 OD2 ASP A 93 -11.744 2.145 -18.920 1.00 0.00 O ATOM 0 H ASP A 93 -11.439 2.899 -13.646 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.150 1.398 -15.169 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.213 3.667 -16.750 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -9.788 2.830 -17.333 1.00 0.00 H new ATOM 1409 N ALA A 94 -7.942 2.153 -15.178 1.00 0.00 N ATOM 1410 CA ALA A 94 -6.605 1.733 -14.634 1.00 0.00 C ATOM 1411 C ALA A 94 -6.258 0.245 -14.274 1.00 0.00 C ATOM 1412 O ALA A 94 -7.038 -0.413 -13.584 1.00 0.00 O ATOM 1413 CB ALA A 94 -6.450 2.588 -13.362 1.00 0.00 C ATOM 0 H ALA A 94 -7.919 3.103 -15.550 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.920 1.870 -15.471 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.498 2.358 -12.883 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.476 3.645 -13.628 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.266 2.367 -12.674 1.00 0.00 H new ATOM 1419 N GLU A 95 -5.070 -0.277 -14.637 1.00 0.00 N ATOM 1420 CA GLU A 95 -4.690 -1.715 -14.393 1.00 0.00 C ATOM 1421 C GLU A 95 -4.960 -2.291 -12.950 1.00 0.00 C ATOM 1422 O GLU A 95 -5.747 -3.241 -12.800 1.00 0.00 O ATOM 1423 CB GLU A 95 -3.215 -1.936 -14.835 1.00 0.00 C ATOM 1424 CG GLU A 95 -2.930 -1.894 -16.366 1.00 0.00 C ATOM 1425 CD GLU A 95 -3.115 -3.198 -17.135 1.00 0.00 C ATOM 1426 OE1 GLU A 95 -2.301 -4.126 -16.934 1.00 0.00 O ATOM 1427 OE2 GLU A 95 -4.038 -3.289 -17.971 1.00 0.00 O ATOM 0 H GLU A 95 -4.342 0.265 -15.103 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.376 -2.299 -15.006 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.598 -1.178 -14.353 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.887 -2.903 -14.454 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.580 -1.141 -16.812 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.904 -1.556 -16.512 1.00 0.00 H new ATOM 1434 N THR A 96 -4.417 -1.654 -11.903 1.00 0.00 N ATOM 1435 CA THR A 96 -4.813 -1.926 -10.488 1.00 0.00 C ATOM 1436 C THR A 96 -4.585 -0.699 -9.555 1.00 0.00 C ATOM 1437 O THR A 96 -3.519 -0.077 -9.567 1.00 0.00 O ATOM 1438 CB THR A 96 -4.153 -3.229 -9.938 1.00 0.00 C ATOM 1439 OG1 THR A 96 -4.561 -3.496 -8.600 1.00 0.00 O ATOM 1440 CG2 THR A 96 -2.630 -3.294 -9.921 1.00 0.00 C ATOM 0 H THR A 96 -3.696 -0.939 -11.997 1.00 0.00 H new ATOM 0 HA THR A 96 -5.889 -2.100 -10.493 1.00 0.00 H new ATOM 0 HB THR A 96 -4.504 -3.962 -10.664 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.426 -3.067 -8.430 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.311 -4.254 -9.515 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.250 -3.186 -10.937 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.238 -2.489 -9.299 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.568 -0.403 -8.684 1.00 0.00 N ATOM 1449 CA ALA A 97 -5.337 0.471 -7.507 1.00 0.00 C ATOM 1450 C ALA A 97 -4.606 -0.282 -6.345 1.00 0.00 C ATOM 1451 O ALA A 97 -4.760 -1.493 -6.146 1.00 0.00 O ATOM 1452 CB ALA A 97 -6.709 1.020 -7.079 1.00 0.00 C ATOM 0 H ALA A 97 -6.523 -0.750 -8.767 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.669 1.292 -7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.587 1.671 -6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.146 1.588 -7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.368 0.191 -6.820 1.00 0.00 H new ATOM 1458 N TYR A 98 -3.792 0.444 -5.572 1.00 0.00 N ATOM 1459 CA TYR A 98 -2.808 -0.185 -4.637 1.00 0.00 C ATOM 1460 C TYR A 98 -2.827 0.487 -3.227 1.00 0.00 C ATOM 1461 O TYR A 98 -2.522 1.681 -3.095 1.00 0.00 O ATOM 1462 CB TYR A 98 -1.374 -0.307 -5.245 1.00 0.00 C ATOM 1463 CG TYR A 98 -0.989 0.467 -6.522 1.00 0.00 C ATOM 1464 CD1 TYR A 98 -0.908 1.849 -6.472 1.00 0.00 C ATOM 1465 CD2 TYR A 98 -0.807 -0.197 -7.734 1.00 0.00 C ATOM 1466 CE1 TYR A 98 -0.634 2.582 -7.632 1.00 0.00 C ATOM 1467 CE2 TYR A 98 -0.511 0.537 -8.896 1.00 0.00 C ATOM 1468 CZ TYR A 98 -0.428 1.917 -8.828 1.00 0.00 C ATOM 1469 OH TYR A 98 -0.069 2.663 -9.921 1.00 0.00 O ATOM 0 H TYR A 98 -3.782 1.464 -5.563 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.138 -1.213 -4.489 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.670 -0.011 -4.467 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.201 -1.364 -5.447 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.057 2.363 -5.534 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.893 -1.273 -7.780 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.584 3.660 -7.594 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.350 0.028 -9.835 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.427 3.571 -9.830 1.00 0.00 H new ATOM 1479 N VAL A 99 -3.187 -0.274 -2.173 1.00 0.00 N ATOM 1480 CA VAL A 99 -3.241 0.249 -0.772 1.00 0.00 C ATOM 1481 C VAL A 99 -1.819 0.288 -0.123 1.00 0.00 C ATOM 1482 O VAL A 99 -1.303 -0.710 0.391 1.00 0.00 O ATOM 1483 CB VAL A 99 -4.343 -0.475 0.084 1.00 0.00 C ATOM 1484 CG1 VAL A 99 -4.264 -0.274 1.619 1.00 0.00 C ATOM 1485 CG2 VAL A 99 -5.756 -0.009 -0.335 1.00 0.00 C ATOM 0 H VAL A 99 -3.447 -1.257 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.565 1.289 -0.803 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.151 -1.528 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.075 -0.821 2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.308 -0.647 1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.354 0.787 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.503 -0.523 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.844 1.067 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.919 -0.242 -1.387 1.00 0.00 H new ATOM 1495 N ILE A 100 -1.256 1.496 -0.078 1.00 0.00 N ATOM 1496 CA ILE A 100 -0.036 1.843 0.726 1.00 0.00 C ATOM 1497 C ILE A 100 -0.183 1.590 2.276 1.00 0.00 C ATOM 1498 O ILE A 100 0.739 1.101 2.933 1.00 0.00 O ATOM 1499 CB ILE A 100 0.311 3.361 0.461 1.00 0.00 C ATOM 1500 CG1 ILE A 100 0.407 3.841 -1.023 1.00 0.00 C ATOM 1501 CG2 ILE A 100 1.560 3.910 1.195 1.00 0.00 C ATOM 1502 CD1 ILE A 100 1.399 3.119 -1.957 1.00 0.00 C ATOM 0 H ILE A 100 -1.626 2.290 -0.601 1.00 0.00 H new ATOM 0 HA ILE A 100 0.764 1.179 0.400 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.597 3.781 0.893 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.586 3.760 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.667 4.900 -1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.701 4.960 0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.420 3.815 2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.439 3.341 0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.352 3.563 -2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.410 3.220 -1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.138 2.063 -2.019 1.00 0.00 H new ATOM 1514 N GLY A 101 -1.308 2.029 2.872 1.00 0.00 N ATOM 1515 CA GLY A 101 -1.390 2.398 4.301 1.00 0.00 C ATOM 1516 C GLY A 101 -1.572 3.936 4.562 1.00 0.00 C ATOM 1517 O GLY A 101 -1.674 4.750 3.658 1.00 0.00 O ATOM 0 H GLY A 101 -2.191 2.139 2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.224 1.863 4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.484 2.061 4.804 1.00 0.00 H new ATOM 1521 N GLY A 102 -1.608 4.436 5.796 1.00 0.00 N ATOM 1522 CA GLY A 102 -0.998 3.737 6.949 1.00 0.00 C ATOM 1523 C GLY A 102 -1.754 2.650 7.732 1.00 0.00 C ATOM 1524 O GLY A 102 -2.739 2.088 7.264 1.00 0.00 O ATOM 0 H GLY A 102 -2.052 5.323 6.033 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.075 3.282 6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.715 4.505 7.669 1.00 0.00 H new ATOM 1528 N ALA A 103 -1.240 2.317 8.922 1.00 0.00 N ATOM 1529 CA ALA A 103 -1.703 1.138 9.707 1.00 0.00 C ATOM 1530 C ALA A 103 -3.228 1.059 10.087 1.00 0.00 C ATOM 1531 O ALA A 103 -3.836 0.001 9.919 1.00 0.00 O ATOM 1532 CB ALA A 103 -0.729 0.987 10.887 1.00 0.00 C ATOM 0 H ALA A 103 -0.495 2.846 9.376 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.669 0.266 9.053 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.025 0.133 11.496 1.00 0.00 H new ATOM 0 HB2 ALA A 103 0.281 0.829 10.508 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.751 1.892 11.495 1.00 0.00 H new ATOM 1538 N ALA A 104 -3.887 2.175 10.470 1.00 0.00 N ATOM 1539 CA ALA A 104 -5.384 2.283 10.455 1.00 0.00 C ATOM 1540 C ALA A 104 -6.151 2.139 9.083 1.00 0.00 C ATOM 1541 O ALA A 104 -7.333 1.778 9.059 1.00 0.00 O ATOM 1542 CB ALA A 104 -5.721 3.634 11.120 1.00 0.00 C ATOM 0 H ALA A 104 -3.416 3.020 10.795 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.746 1.402 10.985 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.802 3.771 11.139 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.336 3.644 12.140 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.263 4.444 10.552 1.00 0.00 H new ATOM 1548 N ILE A 105 -5.490 2.449 7.961 1.00 0.00 N ATOM 1549 CA ILE A 105 -5.992 2.195 6.574 1.00 0.00 C ATOM 1550 C ILE A 105 -5.811 0.695 6.125 1.00 0.00 C ATOM 1551 O ILE A 105 -6.775 0.077 5.673 1.00 0.00 O ATOM 1552 CB ILE A 105 -5.382 3.251 5.580 1.00 0.00 C ATOM 1553 CG1 ILE A 105 -5.487 4.741 6.024 1.00 0.00 C ATOM 1554 CG2 ILE A 105 -5.916 3.122 4.132 1.00 0.00 C ATOM 1555 CD1 ILE A 105 -6.881 5.241 6.467 1.00 0.00 C ATOM 0 H ILE A 105 -4.572 2.893 7.975 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.073 2.338 6.561 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.325 2.985 5.604 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -4.792 4.899 6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.149 5.366 5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -5.451 3.882 3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.676 2.133 3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.997 3.260 4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.818 6.292 6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.586 5.129 5.643 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -7.223 4.655 7.320 1.00 0.00 H new ATOM 1567 N TYR A 106 -4.614 0.100 6.296 1.00 0.00 N ATOM 1568 CA TYR A 106 -4.397 -1.382 6.238 1.00 0.00 C ATOM 1569 C TYR A 106 -5.421 -2.242 7.075 1.00 0.00 C ATOM 1570 O TYR A 106 -6.079 -3.103 6.499 1.00 0.00 O ATOM 1571 CB TYR A 106 -2.902 -1.654 6.619 1.00 0.00 C ATOM 1572 CG TYR A 106 -2.073 -2.426 5.580 1.00 0.00 C ATOM 1573 CD1 TYR A 106 -1.363 -1.726 4.599 1.00 0.00 C ATOM 1574 CD2 TYR A 106 -1.951 -3.817 5.657 1.00 0.00 C ATOM 1575 CE1 TYR A 106 -0.554 -2.411 3.690 1.00 0.00 C ATOM 1576 CE2 TYR A 106 -1.135 -4.501 4.755 1.00 0.00 C ATOM 1577 CZ TYR A 106 -0.438 -3.795 3.783 1.00 0.00 C ATOM 1578 OH TYR A 106 0.394 -4.468 2.931 1.00 0.00 O ATOM 0 H TYR A 106 -3.759 0.625 6.480 1.00 0.00 H new ATOM 0 HA TYR A 106 -4.598 -1.720 5.221 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.415 -0.697 6.805 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -2.882 -2.209 7.557 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -1.441 -0.650 4.544 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -2.490 -4.363 6.417 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.022 -1.871 2.921 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.046 -5.576 4.813 1.00 0.00 H new ATOM 0 HH TYR A 106 -0.010 -5.328 2.691 1.00 0.00 H new ATOM 1588 N ALA A 107 -5.641 -1.959 8.381 1.00 0.00 N ATOM 1589 CA ALA A 107 -6.754 -2.547 9.186 1.00 0.00 C ATOM 1590 C ALA A 107 -8.186 -2.547 8.546 1.00 0.00 C ATOM 1591 O ALA A 107 -8.815 -3.599 8.435 1.00 0.00 O ATOM 1592 CB ALA A 107 -6.749 -1.800 10.540 1.00 0.00 C ATOM 0 H ALA A 107 -5.054 -1.316 8.913 1.00 0.00 H new ATOM 0 HA ALA A 107 -6.553 -3.615 9.273 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.546 -2.190 11.173 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -5.788 -1.948 11.033 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.909 -0.736 10.369 1.00 0.00 H new ATOM 1598 N LEU A 108 -8.701 -1.383 8.115 1.00 0.00 N ATOM 1599 CA LEU A 108 -10.039 -1.288 7.461 1.00 0.00 C ATOM 1600 C LEU A 108 -10.153 -1.895 6.011 1.00 0.00 C ATOM 1601 O LEU A 108 -11.240 -2.356 5.650 1.00 0.00 O ATOM 1602 CB LEU A 108 -10.606 0.151 7.736 1.00 0.00 C ATOM 1603 CG LEU A 108 -11.084 1.054 6.565 1.00 0.00 C ATOM 1604 CD1 LEU A 108 -11.956 2.194 7.116 1.00 0.00 C ATOM 1605 CD2 LEU A 108 -9.912 1.669 5.783 1.00 0.00 C ATOM 0 H LEU A 108 -8.219 -0.488 8.203 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.735 -1.989 7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.448 0.038 8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.834 0.703 8.272 1.00 0.00 H new ATOM 0 HG LEU A 108 -11.652 0.421 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.290 2.826 6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.823 1.775 7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.374 2.790 7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.300 2.291 4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.308 2.280 6.454 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.297 0.873 5.364 1.00 0.00 H new ATOM 1617 N PHE A 109 -9.074 -1.908 5.211 1.00 0.00 N ATOM 1618 CA PHE A 109 -9.072 -2.462 3.831 1.00 0.00 C ATOM 1619 C PHE A 109 -8.572 -3.935 3.647 1.00 0.00 C ATOM 1620 O PHE A 109 -9.014 -4.551 2.683 1.00 0.00 O ATOM 1621 CB PHE A 109 -8.281 -1.464 2.929 1.00 0.00 C ATOM 1622 CG PHE A 109 -9.102 -0.879 1.778 1.00 0.00 C ATOM 1623 CD1 PHE A 109 -9.429 -1.668 0.671 1.00 0.00 C ATOM 1624 CD2 PHE A 109 -9.543 0.449 1.830 1.00 0.00 C ATOM 1625 CE1 PHE A 109 -10.210 -1.149 -0.357 1.00 0.00 C ATOM 1626 CE2 PHE A 109 -10.292 0.978 0.783 1.00 0.00 C ATOM 1627 CZ PHE A 109 -10.627 0.175 -0.308 1.00 0.00 C ATOM 0 H PHE A 109 -8.169 -1.534 5.498 1.00 0.00 H new ATOM 0 HA PHE A 109 -10.117 -2.553 3.536 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -7.909 -0.647 3.548 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -7.410 -1.974 2.518 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -9.073 -2.686 0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -9.301 1.064 2.684 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -10.491 -1.774 -1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -10.613 2.009 0.815 1.00 0.00 H new ATOM 0 HZ PHE A 109 -11.213 0.585 -1.118 1.00 0.00 H new ATOM 1637 N GLN A 110 -7.667 -4.508 4.472 1.00 0.00 N ATOM 1638 CA GLN A 110 -7.104 -5.884 4.270 1.00 0.00 C ATOM 1639 C GLN A 110 -8.084 -7.104 4.000 1.00 0.00 C ATOM 1640 O GLN A 110 -7.768 -7.847 3.064 1.00 0.00 O ATOM 1641 CB GLN A 110 -5.951 -6.160 5.279 1.00 0.00 C ATOM 1642 CG GLN A 110 -6.291 -6.336 6.791 1.00 0.00 C ATOM 1643 CD GLN A 110 -5.101 -6.296 7.764 1.00 0.00 C ATOM 1644 OE1 GLN A 110 -3.925 -6.249 7.422 1.00 0.00 O ATOM 1645 NE2 GLN A 110 -5.372 -6.342 9.038 1.00 0.00 N ATOM 0 H GLN A 110 -7.299 -4.039 5.300 1.00 0.00 H new ATOM 0 HA GLN A 110 -6.690 -5.837 3.263 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -5.437 -7.063 4.951 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.238 -5.339 5.196 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -6.994 -5.554 7.077 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -6.805 -7.289 6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -6.342 -6.382 9.352 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -4.614 -6.338 9.721 1.00 0.00 H new ATOM 1654 N PRO A 111 -9.301 -7.298 4.604 1.00 0.00 N ATOM 1655 CA PRO A 111 -10.354 -8.195 4.014 1.00 0.00 C ATOM 1656 C PRO A 111 -11.001 -7.830 2.618 1.00 0.00 C ATOM 1657 O PRO A 111 -11.883 -8.546 2.139 1.00 0.00 O ATOM 1658 CB PRO A 111 -11.376 -8.234 5.170 1.00 0.00 C ATOM 1659 CG PRO A 111 -11.193 -6.919 5.928 1.00 0.00 C ATOM 1660 CD PRO A 111 -9.685 -6.694 5.898 1.00 0.00 C ATOM 0 HA PRO A 111 -9.915 -9.144 3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -12.393 -8.329 4.790 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -11.198 -9.090 5.821 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.730 -6.101 5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -11.568 -6.990 6.949 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -9.431 -5.635 5.944 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -9.185 -7.178 6.737 1.00 0.00 H new ATOM 1668 N HIS A 112 -10.583 -6.732 1.974 1.00 0.00 N ATOM 1669 CA HIS A 112 -10.876 -6.409 0.545 1.00 0.00 C ATOM 1670 C HIS A 112 -9.613 -5.916 -0.282 1.00 0.00 C ATOM 1671 O HIS A 112 -9.770 -5.104 -1.201 1.00 0.00 O ATOM 1672 CB HIS A 112 -12.036 -5.358 0.563 1.00 0.00 C ATOM 1673 CG HIS A 112 -12.997 -5.389 -0.630 1.00 0.00 C ATOM 1674 ND1 HIS A 112 -14.315 -5.778 -0.490 1.00 0.00 N ATOM 1675 CD2 HIS A 112 -12.765 -4.970 -1.957 1.00 0.00 C ATOM 1676 CE1 HIS A 112 -14.789 -5.560 -1.755 1.00 0.00 C ATOM 1677 NE2 HIS A 112 -13.930 -5.075 -2.705 1.00 0.00 N ATOM 0 H HIS A 112 -10.017 -6.017 2.431 1.00 0.00 H new ATOM 0 HA HIS A 112 -11.172 -7.315 0.016 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -12.616 -5.504 1.474 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.595 -4.363 0.622 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -11.817 -4.618 -2.337 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -15.821 -5.766 -2.000 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -14.099 -4.853 -3.686 1.00 0.00 H new ATOM 1686 N LEU A 113 -8.391 -6.417 -0.031 1.00 0.00 N ATOM 1687 CA LEU A 113 -7.328 -6.486 -1.077 1.00 0.00 C ATOM 1688 C LEU A 113 -7.149 -7.980 -1.435 1.00 0.00 C ATOM 1689 O LEU A 113 -6.628 -8.745 -0.621 1.00 0.00 O ATOM 1690 CB LEU A 113 -5.955 -5.883 -0.653 1.00 0.00 C ATOM 1691 CG LEU A 113 -5.778 -4.356 -0.451 1.00 0.00 C ATOM 1692 CD1 LEU A 113 -6.548 -3.519 -1.465 1.00 0.00 C ATOM 1693 CD2 LEU A 113 -6.099 -3.922 0.971 1.00 0.00 C ATOM 0 H LEU A 113 -8.105 -6.781 0.878 1.00 0.00 H new ATOM 0 HA LEU A 113 -7.653 -5.879 -1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -5.672 -6.363 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.226 -6.192 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.720 -4.165 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.380 -2.461 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.203 -3.758 -2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -7.613 -3.739 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.960 -2.845 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -7.133 -4.176 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.434 -4.434 1.667 1.00 0.00 H new ATOM 1705 N ASP A 114 -7.545 -8.397 -2.640 1.00 0.00 N ATOM 1706 CA ASP A 114 -7.388 -9.817 -3.066 1.00 0.00 C ATOM 1707 C ASP A 114 -5.979 -10.206 -3.678 1.00 0.00 C ATOM 1708 O ASP A 114 -5.755 -11.364 -4.024 1.00 0.00 O ATOM 1709 CB ASP A 114 -8.670 -10.203 -3.852 1.00 0.00 C ATOM 1710 CG ASP A 114 -9.986 -10.177 -3.037 1.00 0.00 C ATOM 1711 OD1 ASP A 114 -10.213 -11.081 -2.199 1.00 0.00 O ATOM 1712 OD2 ASP A 114 -10.791 -9.234 -3.210 1.00 0.00 O ATOM 0 H ASP A 114 -7.973 -7.791 -3.340 1.00 0.00 H new ATOM 0 HA ASP A 114 -7.328 -10.473 -2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -8.774 -9.524 -4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.536 -11.204 -4.261 1.00 0.00 H new ATOM 1717 N ARG A 115 -4.986 -9.292 -3.705 1.00 0.00 N ATOM 1718 CA ARG A 115 -3.534 -9.634 -3.768 1.00 0.00 C ATOM 1719 C ARG A 115 -2.698 -8.851 -2.673 1.00 0.00 C ATOM 1720 O ARG A 115 -3.135 -7.831 -2.125 1.00 0.00 O ATOM 1721 CB ARG A 115 -3.022 -9.306 -5.197 1.00 0.00 C ATOM 1722 CG ARG A 115 -3.565 -10.155 -6.374 1.00 0.00 C ATOM 1723 CD ARG A 115 -3.063 -9.646 -7.736 1.00 0.00 C ATOM 1724 NE ARG A 115 -1.670 -10.098 -8.002 1.00 0.00 N ATOM 1725 CZ ARG A 115 -0.989 -9.827 -9.101 1.00 0.00 C ATOM 1726 NH1 ARG A 115 -1.415 -9.038 -10.046 1.00 0.00 N ATOM 1727 NH2 ARG A 115 0.167 -10.376 -9.238 1.00 0.00 N ATOM 0 H ARG A 115 -5.162 -8.288 -3.684 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.403 -10.695 -3.556 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -3.254 -8.261 -5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -1.936 -9.397 -5.192 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -3.261 -11.193 -6.241 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -4.655 -10.137 -6.360 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -3.722 -10.006 -8.526 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -3.105 -8.557 -7.758 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.208 -10.657 -7.284 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -2.326 -8.587 -9.962 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -0.838 -8.871 -10.870 1.00 0.00 H new ATOM 0 HH21 ARG A 115 0.527 -10.996 -8.512 1.00 0.00 H new ATOM 0 HH22 ARG A 115 0.723 -10.192 -10.073 1.00 0.00 H new ATOM 1741 N MET A 116 -1.453 -9.280 -2.384 1.00 0.00 N ATOM 1742 CA MET A 116 -0.481 -8.505 -1.536 1.00 0.00 C ATOM 1743 C MET A 116 0.914 -8.419 -2.247 1.00 0.00 C ATOM 1744 O MET A 116 1.431 -9.415 -2.761 1.00 0.00 O ATOM 1745 CB MET A 116 -0.348 -9.130 -0.110 1.00 0.00 C ATOM 1746 CG MET A 116 -1.108 -8.450 1.042 1.00 0.00 C ATOM 1747 SD MET A 116 -0.027 -7.354 1.977 1.00 0.00 S ATOM 1748 CE MET A 116 -0.153 -8.080 3.626 1.00 0.00 C ATOM 0 H MET A 116 -1.080 -10.167 -2.722 1.00 0.00 H new ATOM 0 HA MET A 116 -0.868 -7.493 -1.413 1.00 0.00 H new ATOM 0 HB2 MET A 116 -0.681 -10.167 -0.166 1.00 0.00 H new ATOM 0 HB3 MET A 116 0.710 -9.148 0.151 1.00 0.00 H new ATOM 0 HG2 MET A 116 -1.948 -7.882 0.642 1.00 0.00 H new ATOM 0 HG3 MET A 116 -1.523 -9.209 1.705 1.00 0.00 H new ATOM 0 HE1 MET A 116 0.463 -7.511 4.322 1.00 0.00 H new ATOM 0 HE2 MET A 116 -1.191 -8.055 3.956 1.00 0.00 H new ATOM 0 HE3 MET A 116 0.193 -9.113 3.596 1.00 0.00 H new ATOM 1758 N VAL A 117 1.542 -7.234 -2.249 1.00 0.00 N ATOM 1759 CA VAL A 117 2.949 -7.033 -2.722 1.00 0.00 C ATOM 1760 C VAL A 117 3.773 -6.212 -1.670 1.00 0.00 C ATOM 1761 O VAL A 117 4.081 -5.030 -1.868 1.00 0.00 O ATOM 1762 CB VAL A 117 3.024 -6.464 -4.188 1.00 0.00 C ATOM 1763 CG1 VAL A 117 2.464 -7.445 -5.225 1.00 0.00 C ATOM 1764 CG2 VAL A 117 2.402 -5.075 -4.437 1.00 0.00 C ATOM 0 H VAL A 117 1.099 -6.375 -1.924 1.00 0.00 H new ATOM 0 HA VAL A 117 3.426 -8.010 -2.794 1.00 0.00 H new ATOM 0 HB VAL A 117 4.099 -6.332 -4.311 1.00 0.00 H new ATOM 0 HG11 VAL A 117 2.539 -7.005 -6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 117 3.036 -8.372 -5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 117 1.419 -7.656 -4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.523 -4.805 -5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.341 -5.102 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.902 -4.335 -3.812 1.00 0.00 H new ATOM 1774 N LEU A 118 4.139 -6.840 -0.534 1.00 0.00 N ATOM 1775 CA LEU A 118 4.917 -6.180 0.551 1.00 0.00 C ATOM 1776 C LEU A 118 6.454 -6.480 0.446 1.00 0.00 C ATOM 1777 O LEU A 118 6.907 -7.629 0.362 1.00 0.00 O ATOM 1778 CB LEU A 118 4.220 -6.337 1.939 1.00 0.00 C ATOM 1779 CG LEU A 118 4.074 -7.661 2.733 1.00 0.00 C ATOM 1780 CD1 LEU A 118 3.361 -8.775 1.968 1.00 0.00 C ATOM 1781 CD2 LEU A 118 5.385 -8.198 3.317 1.00 0.00 C ATOM 0 H LEU A 118 3.908 -7.814 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 118 4.902 -5.099 0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 118 4.733 -5.646 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.207 -5.958 1.806 1.00 0.00 H new ATOM 0 HG LEU A 118 3.437 -7.363 3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 118 3.301 -9.665 2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.355 -8.449 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 118 3.918 -9.007 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 118 5.190 -9.125 3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.092 -8.389 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.807 -7.462 4.002 1.00 0.00 H new ATOM 1793 N SER A 119 7.249 -5.399 0.386 1.00 0.00 N ATOM 1794 CA SER A 119 8.730 -5.453 0.320 1.00 0.00 C ATOM 1795 C SER A 119 9.350 -5.629 1.748 1.00 0.00 C ATOM 1796 O SER A 119 9.189 -4.806 2.657 1.00 0.00 O ATOM 1797 CB SER A 119 9.159 -4.168 -0.432 1.00 0.00 C ATOM 1798 OG SER A 119 10.573 -3.990 -0.480 1.00 0.00 O ATOM 0 H SER A 119 6.882 -4.447 0.382 1.00 0.00 H new ATOM 0 HA SER A 119 9.105 -6.321 -0.222 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.769 -4.203 -1.449 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.707 -3.303 0.053 1.00 0.00 H new ATOM 0 HG SER A 119 10.815 -3.165 -0.010 1.00 0.00 H new ATOM 1804 N ARG A 120 10.019 -6.765 1.952 1.00 0.00 N ATOM 1805 CA ARG A 120 10.607 -7.164 3.260 1.00 0.00 C ATOM 1806 C ARG A 120 12.071 -6.624 3.352 1.00 0.00 C ATOM 1807 O ARG A 120 12.957 -7.226 2.746 1.00 0.00 O ATOM 1808 CB ARG A 120 10.573 -8.720 3.306 1.00 0.00 C ATOM 1809 CG ARG A 120 9.184 -9.411 3.296 1.00 0.00 C ATOM 1810 CD ARG A 120 8.488 -9.507 4.671 1.00 0.00 C ATOM 1811 NE ARG A 120 9.189 -10.459 5.586 1.00 0.00 N ATOM 1812 CZ ARG A 120 9.171 -11.784 5.471 1.00 0.00 C ATOM 1813 NH1 ARG A 120 8.374 -12.435 4.682 1.00 0.00 N ATOM 1814 NH2 ARG A 120 10.004 -12.467 6.172 1.00 0.00 N ATOM 0 H ARG A 120 10.177 -7.451 1.214 1.00 0.00 H new ATOM 0 HA ARG A 120 10.052 -6.752 4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 120 11.140 -9.093 2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 120 11.101 -9.041 4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.531 -8.868 2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.300 -10.418 2.894 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.455 -8.519 5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 120 7.456 -9.829 4.534 1.00 0.00 H new ATOM 0 HE ARG A 120 9.723 -10.061 6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.707 -11.929 4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 120 8.414 -13.453 4.644 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.656 -11.991 6.796 1.00 0.00 H new ATOM 0 HH22 ARG A 120 10.013 -13.485 6.104 1.00 0.00 H new ATOM 1828 N VAL A 121 12.349 -5.505 4.045 1.00 0.00 N ATOM 1829 CA VAL A 121 13.723 -4.892 4.050 1.00 0.00 C ATOM 1830 C VAL A 121 14.591 -5.526 5.205 1.00 0.00 C ATOM 1831 O VAL A 121 14.295 -5.234 6.368 1.00 0.00 O ATOM 1832 CB VAL A 121 13.699 -3.324 4.108 1.00 0.00 C ATOM 1833 CG1 VAL A 121 15.100 -2.704 3.870 1.00 0.00 C ATOM 1834 CG2 VAL A 121 12.745 -2.643 3.095 1.00 0.00 C ATOM 0 H VAL A 121 11.663 -5.000 4.606 1.00 0.00 H new ATOM 0 HA VAL A 121 14.194 -5.129 3.096 1.00 0.00 H new ATOM 0 HB VAL A 121 13.336 -3.133 5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 121 15.030 -1.617 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 121 15.790 -3.059 4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 121 15.466 -2.999 2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 121 12.800 -1.561 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 121 13.039 -2.912 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 121 11.723 -2.976 3.277 1.00 0.00 H new ATOM 1844 N PRO A 122 15.632 -6.389 4.988 1.00 0.00 N ATOM 1845 CA PRO A 122 16.391 -7.023 6.100 1.00 0.00 C ATOM 1846 C PRO A 122 17.526 -6.125 6.709 1.00 0.00 C ATOM 1847 O PRO A 122 18.255 -5.428 5.993 1.00 0.00 O ATOM 1848 CB PRO A 122 16.919 -8.285 5.383 1.00 0.00 C ATOM 1849 CG PRO A 122 17.203 -7.833 3.947 1.00 0.00 C ATOM 1850 CD PRO A 122 16.081 -6.836 3.653 1.00 0.00 C ATOM 0 HA PRO A 122 15.792 -7.218 6.989 1.00 0.00 H new ATOM 0 HB2 PRO A 122 17.821 -8.664 5.863 1.00 0.00 H new ATOM 0 HB3 PRO A 122 16.184 -9.089 5.406 1.00 0.00 H new ATOM 0 HG2 PRO A 122 18.185 -7.368 3.860 1.00 0.00 H new ATOM 0 HG3 PRO A 122 17.185 -8.672 3.252 1.00 0.00 H new ATOM 0 HD2 PRO A 122 16.439 -6.000 3.053 1.00 0.00 H new ATOM 0 HD3 PRO A 122 15.269 -7.303 3.096 1.00 0.00 H new ATOM 1935 N THR A 129 4.809 1.738 13.734 1.00 0.00 N ATOM 1936 CA THR A 129 3.492 1.054 13.573 1.00 0.00 C ATOM 1937 C THR A 129 3.500 -0.511 13.746 1.00 0.00 C ATOM 1938 O THR A 129 4.536 -1.175 13.835 1.00 0.00 O ATOM 1939 CB THR A 129 2.828 1.490 12.226 1.00 0.00 C ATOM 1940 OG1 THR A 129 3.575 1.037 11.105 1.00 0.00 O ATOM 1941 CG2 THR A 129 2.562 2.988 12.030 1.00 0.00 C ATOM 0 HA THR A 129 2.887 1.390 14.415 1.00 0.00 H new ATOM 0 HB THR A 129 1.850 1.013 12.295 1.00 0.00 H new ATOM 0 HG1 THR A 129 4.530 1.045 11.324 1.00 0.00 H new ATOM 0 HG21 THR A 129 2.100 3.151 11.056 1.00 0.00 H new ATOM 0 HG22 THR A 129 1.893 3.344 12.813 1.00 0.00 H new ATOM 0 HG23 THR A 129 3.504 3.534 12.081 1.00 0.00 H new ATOM 1949 N TYR A 130 2.294 -1.101 13.828 1.00 0.00 N ATOM 1950 CA TYR A 130 2.103 -2.558 14.073 1.00 0.00 C ATOM 1951 C TYR A 130 1.084 -3.182 13.076 1.00 0.00 C ATOM 1952 O TYR A 130 0.095 -2.546 12.694 1.00 0.00 O ATOM 1953 CB TYR A 130 1.650 -2.760 15.555 1.00 0.00 C ATOM 1954 CG TYR A 130 2.762 -2.481 16.577 1.00 0.00 C ATOM 1955 CD1 TYR A 130 3.874 -3.326 16.623 1.00 0.00 C ATOM 1956 CD2 TYR A 130 2.770 -1.288 17.311 1.00 0.00 C ATOM 1957 CE1 TYR A 130 4.998 -2.956 17.350 1.00 0.00 C ATOM 1958 CE2 TYR A 130 3.892 -0.940 18.063 1.00 0.00 C ATOM 1959 CZ TYR A 130 5.005 -1.771 18.070 1.00 0.00 C ATOM 1960 OH TYR A 130 6.171 -1.357 18.645 1.00 0.00 O ATOM 0 H TYR A 130 1.418 -0.588 13.727 1.00 0.00 H new ATOM 0 HA TYR A 130 3.048 -3.076 13.907 1.00 0.00 H new ATOM 0 HB2 TYR A 130 0.804 -2.104 15.761 1.00 0.00 H new ATOM 0 HB3 TYR A 130 1.298 -3.784 15.683 1.00 0.00 H new ATOM 0 HD1 TYR A 130 3.859 -4.267 16.093 1.00 0.00 H new ATOM 0 HD2 TYR A 130 1.908 -0.638 17.295 1.00 0.00 H new ATOM 0 HE1 TYR A 130 5.870 -3.594 17.355 1.00 0.00 H new ATOM 0 HE2 TYR A 130 3.895 -0.026 18.639 1.00 0.00 H new ATOM 0 HH TYR A 130 6.021 -0.510 19.115 1.00 0.00 H new ATOM 1970 N TYR A 131 1.271 -4.471 12.731 1.00 0.00 N ATOM 1971 CA TYR A 131 0.227 -5.269 12.036 1.00 0.00 C ATOM 1972 C TYR A 131 -1.111 -5.387 12.854 1.00 0.00 C ATOM 1973 O TYR A 131 -1.024 -5.778 14.026 1.00 0.00 O ATOM 1974 CB TYR A 131 0.767 -6.680 11.657 1.00 0.00 C ATOM 1975 CG TYR A 131 1.254 -6.850 10.207 1.00 0.00 C ATOM 1976 CD1 TYR A 131 0.370 -6.683 9.134 1.00 0.00 C ATOM 1977 CD2 TYR A 131 2.565 -7.254 9.954 1.00 0.00 C ATOM 1978 CE1 TYR A 131 0.797 -6.911 7.827 1.00 0.00 C ATOM 1979 CE2 TYR A 131 2.988 -7.497 8.648 1.00 0.00 C ATOM 1980 CZ TYR A 131 2.100 -7.332 7.588 1.00 0.00 C ATOM 1981 OH TYR A 131 2.500 -7.627 6.313 1.00 0.00 O ATOM 0 H TYR A 131 2.131 -4.986 12.919 1.00 0.00 H new ATOM 0 HA TYR A 131 -0.016 -4.725 11.123 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.592 -6.923 12.327 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -0.021 -7.410 11.843 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -0.648 -6.376 9.320 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.256 -7.379 10.774 1.00 0.00 H new ATOM 0 HE1 TYR A 131 0.117 -6.761 7.002 1.00 0.00 H new ATOM 0 HE2 TYR A 131 4.003 -7.813 8.459 1.00 0.00 H new ATOM 0 HH TYR A 131 3.440 -7.905 6.321 1.00 0.00 H new ATOM 1991 N PRO A 132 -2.331 -5.094 12.316 1.00 0.00 N ATOM 1992 CA PRO A 132 -3.596 -5.265 13.078 1.00 0.00 C ATOM 1993 C PRO A 132 -4.040 -6.776 13.113 1.00 0.00 C ATOM 1994 O PRO A 132 -3.323 -7.617 13.671 1.00 0.00 O ATOM 1995 CB PRO A 132 -4.485 -4.177 12.412 1.00 0.00 C ATOM 1996 CG PRO A 132 -3.710 -3.590 11.224 1.00 0.00 C ATOM 1997 CD PRO A 132 -2.557 -4.536 10.968 1.00 0.00 C ATOM 0 HA PRO A 132 -3.593 -5.096 14.155 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -5.428 -4.609 12.076 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -4.731 -3.395 13.130 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -4.349 -3.507 10.345 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -3.348 -2.587 11.451 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -2.813 -5.308 10.242 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -1.678 -4.017 10.586 1.00 0.00 H new ATOM 2005 N GLU A 133 -5.170 -7.139 12.502 1.00 0.00 N ATOM 2006 CA GLU A 133 -5.647 -8.544 12.390 1.00 0.00 C ATOM 2007 C GLU A 133 -5.476 -9.084 10.926 1.00 0.00 C ATOM 2008 O GLU A 133 -6.418 -9.110 10.129 1.00 0.00 O ATOM 2009 CB GLU A 133 -7.078 -8.624 13.017 1.00 0.00 C ATOM 2010 CG GLU A 133 -8.242 -7.753 12.450 1.00 0.00 C ATOM 2011 CD GLU A 133 -8.234 -6.257 12.739 1.00 0.00 C ATOM 2012 OE1 GLU A 133 -8.797 -5.838 13.772 1.00 0.00 O ATOM 2013 OE2 GLU A 133 -7.678 -5.490 11.927 1.00 0.00 O ATOM 0 H GLU A 133 -5.797 -6.466 12.061 1.00 0.00 H new ATOM 0 HA GLU A 133 -5.034 -9.237 12.966 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -7.397 -9.665 12.958 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -6.980 -8.380 14.075 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -8.257 -7.882 11.368 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -9.178 -8.160 12.832 1.00 0.00 H new ATOM 2020 N TRP A 134 -4.236 -9.479 10.553 1.00 0.00 N ATOM 2021 CA TRP A 134 -3.912 -10.042 9.207 1.00 0.00 C ATOM 2022 C TRP A 134 -3.915 -11.619 9.176 1.00 0.00 C ATOM 2023 O TRP A 134 -3.580 -12.271 10.176 1.00 0.00 O ATOM 2024 CB TRP A 134 -2.623 -9.334 8.648 1.00 0.00 C ATOM 2025 CG TRP A 134 -1.266 -10.072 8.651 1.00 0.00 C ATOM 2026 CD1 TRP A 134 -0.634 -10.603 7.502 1.00 0.00 C ATOM 2027 CD2 TRP A 134 -0.409 -10.366 9.700 1.00 0.00 C ATOM 2028 NE1 TRP A 134 0.604 -11.202 7.805 1.00 0.00 N ATOM 2029 CE2 TRP A 134 0.712 -11.056 9.176 1.00 0.00 C ATOM 2030 CE3 TRP A 134 -0.519 -10.135 11.096 1.00 0.00 C ATOM 2031 CZ2 TRP A 134 1.732 -11.516 10.039 1.00 0.00 C ATOM 2032 CZ3 TRP A 134 0.504 -10.594 11.930 1.00 0.00 C ATOM 2033 CH2 TRP A 134 1.614 -11.273 11.409 1.00 0.00 C ATOM 0 H TRP A 134 -3.427 -9.419 11.172 1.00 0.00 H new ATOM 0 HA TRP A 134 -4.714 -9.811 8.505 1.00 0.00 H new ATOM 0 HB2 TRP A 134 -2.833 -9.048 7.617 1.00 0.00 H new ATOM 0 HB3 TRP A 134 -2.490 -8.412 9.214 1.00 0.00 H new ATOM 0 HD1 TRP A 134 -1.053 -10.555 6.508 1.00 0.00 H new ATOM 0 HE1 TRP A 134 1.265 -11.640 7.164 1.00 0.00 H new ATOM 0 HE3 TRP A 134 -1.374 -9.616 11.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 2.587 -12.046 9.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 0.438 -10.423 12.994 1.00 0.00 H new ATOM 0 HH2 TRP A 134 2.390 -11.614 12.078 1.00 0.00 H new ATOM 2044 N ASP A 135 -4.287 -12.221 8.037 1.00 0.00 N ATOM 2045 CA ASP A 135 -4.657 -13.667 7.974 1.00 0.00 C ATOM 2046 C ASP A 135 -3.426 -14.641 7.869 1.00 0.00 C ATOM 2047 O ASP A 135 -3.029 -15.079 6.789 1.00 0.00 O ATOM 2048 CB ASP A 135 -5.687 -13.875 6.825 1.00 0.00 C ATOM 2049 CG ASP A 135 -7.010 -13.125 6.907 1.00 0.00 C ATOM 2050 OD1 ASP A 135 -7.960 -13.640 7.531 1.00 0.00 O ATOM 2051 OD2 ASP A 135 -7.105 -12.020 6.333 1.00 0.00 O ATOM 0 H ASP A 135 -4.344 -11.740 7.139 1.00 0.00 H new ATOM 0 HA ASP A 135 -5.117 -13.935 8.925 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -5.203 -13.598 5.888 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -5.910 -14.940 6.765 1.00 0.00 H new ATOM 2056 N ALA A 136 -2.829 -15.013 9.019 1.00 0.00 N ATOM 2057 CA ALA A 136 -1.607 -15.881 9.055 1.00 0.00 C ATOM 2058 C ALA A 136 -1.655 -17.359 8.515 1.00 0.00 C ATOM 2059 O ALA A 136 -0.593 -17.943 8.304 1.00 0.00 O ATOM 2060 CB ALA A 136 -1.102 -15.827 10.512 1.00 0.00 C ATOM 0 H ALA A 136 -3.163 -14.733 9.941 1.00 0.00 H new ATOM 0 HA ALA A 136 -0.935 -15.460 8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -0.207 -16.442 10.610 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -0.865 -14.797 10.777 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.877 -16.204 11.180 1.00 0.00 H new ATOM 2066 N ALA A 137 -2.834 -17.970 8.304 1.00 0.00 N ATOM 2067 CA ALA A 137 -2.982 -19.103 7.342 1.00 0.00 C ATOM 2068 C ALA A 137 -3.841 -18.816 6.057 1.00 0.00 C ATOM 2069 O ALA A 137 -3.592 -19.442 5.031 1.00 0.00 O ATOM 2070 CB ALA A 137 -3.484 -20.353 8.101 1.00 0.00 C ATOM 0 H ALA A 137 -3.699 -17.709 8.777 1.00 0.00 H new ATOM 0 HA ALA A 137 -1.986 -19.274 6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -3.594 -21.183 7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -2.765 -20.622 8.875 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -4.448 -20.136 8.561 1.00 0.00 H new ATOM 2076 N GLU A 138 -4.837 -17.903 6.091 1.00 0.00 N ATOM 2077 CA GLU A 138 -5.713 -17.602 4.907 1.00 0.00 C ATOM 2078 C GLU A 138 -5.209 -16.421 3.964 1.00 0.00 C ATOM 2079 O GLU A 138 -5.986 -15.763 3.268 1.00 0.00 O ATOM 2080 CB GLU A 138 -7.169 -17.456 5.471 1.00 0.00 C ATOM 2081 CG GLU A 138 -7.791 -18.713 6.171 1.00 0.00 C ATOM 2082 CD GLU A 138 -8.866 -19.494 5.438 1.00 0.00 C ATOM 2083 OE1 GLU A 138 -8.590 -20.034 4.350 1.00 0.00 O ATOM 2084 OE2 GLU A 138 -9.984 -19.624 5.976 1.00 0.00 O ATOM 0 H GLU A 138 -5.065 -17.355 6.920 1.00 0.00 H new ATOM 0 HA GLU A 138 -5.675 -18.422 4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -7.174 -16.633 6.186 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -7.824 -17.168 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -6.978 -19.402 6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -8.209 -18.388 7.124 1.00 0.00 H new ATOM 2091 N TRP A 139 -3.879 -16.232 3.878 1.00 0.00 N ATOM 2092 CA TRP A 139 -3.175 -15.552 2.757 1.00 0.00 C ATOM 2093 C TRP A 139 -2.260 -16.611 2.041 1.00 0.00 C ATOM 2094 O TRP A 139 -1.273 -17.067 2.627 1.00 0.00 O ATOM 2095 CB TRP A 139 -2.324 -14.375 3.329 1.00 0.00 C ATOM 2096 CG TRP A 139 -2.974 -12.992 3.337 1.00 0.00 C ATOM 2097 CD1 TRP A 139 -3.446 -12.322 4.470 1.00 0.00 C ATOM 2098 CD2 TRP A 139 -3.215 -12.132 2.287 1.00 0.00 C ATOM 2099 NE1 TRP A 139 -4.085 -11.100 4.160 1.00 0.00 N ATOM 2100 CE2 TRP A 139 -3.915 -11.005 2.791 1.00 0.00 C ATOM 2101 CE3 TRP A 139 -2.904 -12.232 0.906 1.00 0.00 C ATOM 2102 CZ2 TRP A 139 -4.339 -9.983 1.907 1.00 0.00 C ATOM 2103 CZ3 TRP A 139 -3.328 -11.207 0.058 1.00 0.00 C ATOM 2104 CH2 TRP A 139 -4.020 -10.095 0.554 1.00 0.00 C ATOM 0 H TRP A 139 -3.239 -16.555 4.604 1.00 0.00 H new ATOM 0 HA TRP A 139 -3.884 -15.144 2.037 1.00 0.00 H new ATOM 0 HB2 TRP A 139 -2.045 -14.624 4.353 1.00 0.00 H new ATOM 0 HB3 TRP A 139 -1.401 -14.313 2.753 1.00 0.00 H new ATOM 0 HD1 TRP A 139 -3.334 -12.699 5.476 1.00 0.00 H new ATOM 0 HE1 TRP A 139 -4.555 -10.450 4.790 1.00 0.00 H new ATOM 0 HE3 TRP A 139 -2.354 -13.078 0.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 -4.898 -9.134 2.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 -3.119 -11.273 -0.999 1.00 0.00 H new ATOM 0 HH2 TRP A 139 -4.313 -9.308 -0.125 1.00 0.00 H new ATOM 2115 N GLU A 140 -2.558 -16.968 0.780 1.00 0.00 N ATOM 2116 CA GLU A 140 -1.699 -17.896 -0.018 1.00 0.00 C ATOM 2117 C GLU A 140 -0.544 -17.144 -0.773 1.00 0.00 C ATOM 2118 O GLU A 140 -0.712 -16.026 -1.281 1.00 0.00 O ATOM 2119 CB GLU A 140 -2.613 -18.676 -1.006 1.00 0.00 C ATOM 2120 CG GLU A 140 -3.465 -19.832 -0.393 1.00 0.00 C ATOM 2121 CD GLU A 140 -2.830 -21.216 -0.326 1.00 0.00 C ATOM 2122 OE1 GLU A 140 -1.711 -21.351 0.210 1.00 0.00 O ATOM 2123 OE2 GLU A 140 -3.475 -22.186 -0.785 1.00 0.00 O ATOM 0 H GLU A 140 -3.383 -16.635 0.281 1.00 0.00 H new ATOM 0 HA GLU A 140 -1.202 -18.591 0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -3.291 -17.965 -1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.987 -19.093 -1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.746 -19.542 0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.387 -19.912 -0.969 1.00 0.00 H new ATOM 2130 N LEU A 141 0.640 -17.771 -0.853 1.00 0.00 N ATOM 2131 CA LEU A 141 1.822 -17.212 -1.575 1.00 0.00 C ATOM 2132 C LEU A 141 1.850 -17.625 -3.091 1.00 0.00 C ATOM 2133 O LEU A 141 1.684 -18.800 -3.426 1.00 0.00 O ATOM 2134 CB LEU A 141 3.151 -17.656 -0.886 1.00 0.00 C ATOM 2135 CG LEU A 141 3.359 -17.257 0.604 1.00 0.00 C ATOM 2136 CD1 LEU A 141 3.136 -18.451 1.550 1.00 0.00 C ATOM 2137 CD2 LEU A 141 4.744 -16.635 0.856 1.00 0.00 C ATOM 0 H LEU A 141 0.817 -18.679 -0.424 1.00 0.00 H new ATOM 0 HA LEU A 141 1.731 -16.127 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 141 3.219 -18.742 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 141 3.981 -17.247 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 141 2.607 -16.498 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 141 3.290 -18.132 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 141 2.118 -18.822 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 141 3.842 -19.245 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 141 4.839 -16.374 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.519 -17.353 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 141 4.856 -15.737 0.248 1.00 0.00 H new ATOM 2149 N ASP A 142 2.132 -16.661 -3.978 1.00 0.00 N ATOM 2150 CA ASP A 142 2.339 -16.902 -5.440 1.00 0.00 C ATOM 2151 C ASP A 142 3.869 -16.880 -5.819 1.00 0.00 C ATOM 2152 O ASP A 142 4.430 -17.915 -6.197 1.00 0.00 O ATOM 2153 CB ASP A 142 1.442 -15.885 -6.211 1.00 0.00 C ATOM 2154 CG ASP A 142 1.254 -16.182 -7.697 1.00 0.00 C ATOM 2155 OD1 ASP A 142 2.118 -15.784 -8.507 1.00 0.00 O ATOM 2156 OD2 ASP A 142 0.230 -16.797 -8.063 1.00 0.00 O ATOM 0 H ASP A 142 2.227 -15.680 -3.714 1.00 0.00 H new ATOM 0 HA ASP A 142 2.027 -17.904 -5.734 1.00 0.00 H new ATOM 0 HB2 ASP A 142 0.462 -15.856 -5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 142 1.876 -14.890 -6.107 1.00 0.00 H new ATOM 2161 N ALA A 143 4.557 -15.721 -5.708 1.00 0.00 N ATOM 2162 CA ALA A 143 5.945 -15.542 -6.217 1.00 0.00 C ATOM 2163 C ALA A 143 6.868 -14.700 -5.259 1.00 0.00 C ATOM 2164 O ALA A 143 6.894 -13.466 -5.318 1.00 0.00 O ATOM 2165 CB ALA A 143 5.812 -14.929 -7.633 1.00 0.00 C ATOM 0 H ALA A 143 4.173 -14.886 -5.267 1.00 0.00 H new ATOM 0 HA ALA A 143 6.457 -16.503 -6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 143 6.804 -14.775 -8.057 1.00 0.00 H new ATOM 0 HB2 ALA A 143 5.246 -15.607 -8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 143 5.293 -13.973 -7.568 1.00 0.00 H new ATOM 2171 N GLU A 144 7.686 -15.359 -4.406 1.00 0.00 N ATOM 2172 CA GLU A 144 8.766 -14.670 -3.627 1.00 0.00 C ATOM 2173 C GLU A 144 10.111 -14.549 -4.434 1.00 0.00 C ATOM 2174 O GLU A 144 10.565 -15.493 -5.092 1.00 0.00 O ATOM 2175 CB GLU A 144 8.885 -15.276 -2.194 1.00 0.00 C ATOM 2176 CG GLU A 144 9.797 -14.472 -1.206 1.00 0.00 C ATOM 2177 CD GLU A 144 9.403 -14.411 0.271 1.00 0.00 C ATOM 2178 OE1 GLU A 144 8.893 -15.399 0.830 1.00 0.00 O ATOM 2179 OE2 GLU A 144 9.578 -13.334 0.883 1.00 0.00 O ATOM 0 H GLU A 144 7.627 -16.363 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 144 8.481 -13.629 -3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 144 7.886 -15.350 -1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 144 9.272 -16.291 -2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 144 10.800 -14.895 -1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 144 9.861 -13.448 -1.574 1.00 0.00 H new ATOM 2186 N THR A 145 10.736 -13.354 -4.416 1.00 0.00 N ATOM 2187 CA THR A 145 12.004 -13.064 -5.159 1.00 0.00 C ATOM 2188 C THR A 145 13.086 -12.397 -4.239 1.00 0.00 C ATOM 2189 O THR A 145 13.018 -11.203 -3.905 1.00 0.00 O ATOM 2190 CB THR A 145 11.757 -12.173 -6.420 1.00 0.00 C ATOM 2191 OG1 THR A 145 11.055 -10.979 -6.072 1.00 0.00 O ATOM 2192 CG2 THR A 145 10.968 -12.859 -7.541 1.00 0.00 C ATOM 0 H THR A 145 10.385 -12.555 -3.889 1.00 0.00 H new ATOM 0 HA THR A 145 12.384 -14.030 -5.492 1.00 0.00 H new ATOM 0 HB THR A 145 12.757 -11.959 -6.796 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.458 -10.584 -5.270 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.844 -12.168 -8.374 1.00 0.00 H new ATOM 0 HG22 THR A 145 11.510 -13.742 -7.880 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.988 -13.156 -7.167 1.00 0.00 H new ATOM 2200 N ASP A 146 14.144 -13.157 -3.924 1.00 0.00 N ATOM 2201 CA ASP A 146 15.315 -12.656 -3.155 1.00 0.00 C ATOM 2202 C ASP A 146 16.172 -11.552 -3.870 1.00 0.00 C ATOM 2203 O ASP A 146 16.396 -11.558 -5.088 1.00 0.00 O ATOM 2204 CB ASP A 146 16.199 -13.884 -2.801 1.00 0.00 C ATOM 2205 CG ASP A 146 15.746 -14.675 -1.584 1.00 0.00 C ATOM 2206 OD1 ASP A 146 15.741 -14.098 -0.476 1.00 0.00 O ATOM 2207 OD2 ASP A 146 15.447 -15.879 -1.727 1.00 0.00 O ATOM 0 H ASP A 146 14.222 -14.138 -4.191 1.00 0.00 H new ATOM 0 HA ASP A 146 14.926 -12.152 -2.270 1.00 0.00 H new ATOM 0 HB2 ASP A 146 16.225 -14.553 -3.661 1.00 0.00 H new ATOM 0 HB3 ASP A 146 17.220 -13.541 -2.633 1.00 0.00 H new ATOM 2212 N HIS A 147 16.633 -10.574 -3.076 1.00 0.00 N ATOM 2213 CA HIS A 147 17.559 -9.502 -3.544 1.00 0.00 C ATOM 2214 C HIS A 147 18.561 -9.096 -2.417 1.00 0.00 C ATOM 2215 O HIS A 147 18.267 -9.197 -1.222 1.00 0.00 O ATOM 2216 CB HIS A 147 16.793 -8.231 -4.033 1.00 0.00 C ATOM 2217 CG HIS A 147 15.756 -8.405 -5.141 1.00 0.00 C ATOM 2218 ND1 HIS A 147 14.452 -8.767 -4.883 1.00 0.00 N ATOM 2219 CD2 HIS A 147 15.967 -8.341 -6.528 1.00 0.00 C ATOM 2220 CE1 HIS A 147 13.972 -8.956 -6.145 1.00 0.00 C ATOM 2221 NE2 HIS A 147 14.795 -8.668 -7.209 1.00 0.00 N ATOM 0 H HIS A 147 16.382 -10.494 -2.091 1.00 0.00 H new ATOM 0 HA HIS A 147 18.108 -9.917 -4.389 1.00 0.00 H new ATOM 0 HB2 HIS A 147 16.291 -7.790 -3.171 1.00 0.00 H new ATOM 0 HB3 HIS A 147 17.532 -7.507 -4.377 1.00 0.00 H new ATOM 0 HD2 HIS A 147 16.902 -8.077 -6.999 1.00 0.00 H new ATOM 0 HE1 HIS A 147 12.969 -9.323 -6.306 1.00 0.00 H new ATOM 0 HE2 HIS A 147 14.603 -8.688 -8.211 1.00 0.00 H new ATOM 2230 N GLU A 148 19.709 -8.530 -2.821 1.00 0.00 N ATOM 2231 CA GLU A 148 20.745 -7.952 -1.909 1.00 0.00 C ATOM 2232 C GLU A 148 20.339 -7.030 -0.698 1.00 0.00 C ATOM 2233 O GLU A 148 21.032 -7.034 0.321 1.00 0.00 O ATOM 2234 CB GLU A 148 21.779 -7.300 -2.867 1.00 0.00 C ATOM 2235 CG GLU A 148 21.316 -6.001 -3.593 1.00 0.00 C ATOM 2236 CD GLU A 148 21.967 -5.736 -4.933 1.00 0.00 C ATOM 2237 OE1 GLU A 148 23.021 -5.071 -4.977 1.00 0.00 O ATOM 2238 OE2 GLU A 148 21.397 -6.173 -5.956 1.00 0.00 O ATOM 0 H GLU A 148 19.961 -8.453 -3.806 1.00 0.00 H new ATOM 0 HA GLU A 148 21.123 -8.774 -1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 148 22.679 -7.072 -2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 148 22.058 -8.035 -3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 148 20.237 -6.051 -3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 148 21.512 -5.151 -2.939 1.00 0.00 H new ATOM 2245 N GLY A 149 19.216 -6.292 -0.770 1.00 0.00 N ATOM 2246 CA GLY A 149 18.511 -5.844 0.466 1.00 0.00 C ATOM 2247 C GLY A 149 16.995 -5.575 0.337 1.00 0.00 C ATOM 2248 O GLY A 149 16.521 -4.552 0.830 1.00 0.00 O ATOM 0 H GLY A 149 18.779 -5.995 -1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 149 18.659 -6.601 1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 149 18.990 -4.931 0.820 1.00 0.00 H new ATOM 2252 N PHE A 150 16.226 -6.511 -0.247 1.00 0.00 N ATOM 2253 CA PHE A 150 14.733 -6.537 -0.140 1.00 0.00 C ATOM 2254 C PHE A 150 14.167 -7.921 -0.611 1.00 0.00 C ATOM 2255 O PHE A 150 14.542 -8.435 -1.670 1.00 0.00 O ATOM 2256 CB PHE A 150 14.000 -5.339 -0.833 1.00 0.00 C ATOM 2257 CG PHE A 150 13.809 -5.350 -2.362 1.00 0.00 C ATOM 2258 CD1 PHE A 150 14.884 -5.128 -3.229 1.00 0.00 C ATOM 2259 CD2 PHE A 150 12.537 -5.593 -2.903 1.00 0.00 C ATOM 2260 CE1 PHE A 150 14.694 -5.149 -4.607 1.00 0.00 C ATOM 2261 CE2 PHE A 150 12.350 -5.610 -4.279 1.00 0.00 C ATOM 2262 CZ PHE A 150 13.424 -5.377 -5.135 1.00 0.00 C ATOM 0 H PHE A 150 16.608 -7.273 -0.807 1.00 0.00 H new ATOM 0 HA PHE A 150 14.514 -6.406 0.920 1.00 0.00 H new ATOM 0 HB2 PHE A 150 13.012 -5.255 -0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 150 14.546 -4.430 -0.578 1.00 0.00 H new ATOM 0 HD1 PHE A 150 15.868 -4.939 -2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 150 11.698 -5.768 -2.245 1.00 0.00 H new ATOM 0 HE1 PHE A 150 15.532 -4.988 -5.269 1.00 0.00 H new ATOM 0 HE2 PHE A 150 11.369 -5.804 -4.687 1.00 0.00 H new ATOM 0 HZ PHE A 150 13.273 -5.373 -6.204 1.00 0.00 H new ATOM 2272 N THR A 151 13.221 -8.499 0.137 1.00 0.00 N ATOM 2273 CA THR A 151 12.444 -9.691 -0.319 1.00 0.00 C ATOM 2274 C THR A 151 11.038 -9.196 -0.790 1.00 0.00 C ATOM 2275 O THR A 151 10.163 -8.909 0.031 1.00 0.00 O ATOM 2276 CB THR A 151 12.363 -10.842 0.752 1.00 0.00 C ATOM 2277 OG1 THR A 151 13.263 -10.692 1.848 1.00 0.00 O ATOM 2278 CG2 THR A 151 12.687 -12.220 0.170 1.00 0.00 C ATOM 0 H THR A 151 12.963 -8.170 1.067 1.00 0.00 H new ATOM 0 HA THR A 151 12.969 -10.158 -1.152 1.00 0.00 H new ATOM 0 HB THR A 151 11.329 -10.768 1.090 1.00 0.00 H new ATOM 0 HG1 THR A 151 13.151 -11.443 2.468 1.00 0.00 H new ATOM 0 HG21 THR A 151 12.615 -12.973 0.955 1.00 0.00 H new ATOM 0 HG22 THR A 151 11.979 -12.455 -0.624 1.00 0.00 H new ATOM 0 HG23 THR A 151 13.699 -12.215 -0.236 1.00 0.00 H new ATOM 2286 N LEU A 152 10.788 -9.074 -2.109 1.00 0.00 N ATOM 2287 CA LEU A 152 9.388 -8.941 -2.626 1.00 0.00 C ATOM 2288 C LEU A 152 8.678 -10.321 -2.586 1.00 0.00 C ATOM 2289 O LEU A 152 9.166 -11.289 -3.177 1.00 0.00 O ATOM 2290 CB LEU A 152 9.408 -8.293 -4.043 1.00 0.00 C ATOM 2291 CG LEU A 152 8.122 -8.247 -4.925 1.00 0.00 C ATOM 2292 CD1 LEU A 152 7.739 -9.593 -5.574 1.00 0.00 C ATOM 2293 CD2 LEU A 152 6.906 -7.571 -4.260 1.00 0.00 C ATOM 0 H LEU A 152 11.510 -9.063 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 152 8.807 -8.275 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 152 9.746 -7.264 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 152 10.173 -8.813 -4.621 1.00 0.00 H new ATOM 0 HG LEU A 152 8.423 -7.590 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 152 6.834 -9.466 -6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 152 8.551 -9.931 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 152 7.561 -10.335 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 152 6.060 -7.586 -4.947 1.00 0.00 H new ATOM 0 HD22 LEU A 152 6.643 -8.110 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 152 7.154 -6.539 -4.012 1.00 0.00 H new ATOM 2305 N GLN A 153 7.512 -10.362 -1.946 1.00 0.00 N ATOM 2306 CA GLN A 153 6.588 -11.521 -2.017 1.00 0.00 C ATOM 2307 C GLN A 153 5.246 -11.091 -2.694 1.00 0.00 C ATOM 2308 O GLN A 153 4.539 -10.213 -2.186 1.00 0.00 O ATOM 2309 CB GLN A 153 6.456 -12.245 -0.641 1.00 0.00 C ATOM 2310 CG GLN A 153 6.733 -11.472 0.687 1.00 0.00 C ATOM 2311 CD GLN A 153 6.482 -12.197 2.010 1.00 0.00 C ATOM 2312 OE1 GLN A 153 6.145 -11.582 3.013 1.00 0.00 O ATOM 2313 NE2 GLN A 153 6.673 -13.490 2.111 1.00 0.00 N ATOM 0 H GLN A 153 7.170 -9.600 -1.361 1.00 0.00 H new ATOM 0 HA GLN A 153 7.005 -12.292 -2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 153 5.441 -12.638 -0.580 1.00 0.00 H new ATOM 0 HB3 GLN A 153 7.129 -13.102 -0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 153 7.775 -11.152 0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 153 6.122 -10.569 0.681 1.00 0.00 H new ATOM 0 HE21 GLN A 153 6.954 -14.029 1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 153 6.540 -13.957 3.008 1.00 0.00 H new ATOM 2322 N GLU A 154 4.926 -11.695 -3.856 1.00 0.00 N ATOM 2323 CA GLU A 154 3.580 -11.610 -4.487 1.00 0.00 C ATOM 2324 C GLU A 154 2.608 -12.691 -3.883 1.00 0.00 C ATOM 2325 O GLU A 154 2.932 -13.878 -3.809 1.00 0.00 O ATOM 2326 CB GLU A 154 3.715 -11.667 -6.053 1.00 0.00 C ATOM 2327 CG GLU A 154 3.474 -10.295 -6.744 1.00 0.00 C ATOM 2328 CD GLU A 154 3.507 -10.134 -8.253 1.00 0.00 C ATOM 2329 OE1 GLU A 154 4.433 -10.625 -8.919 1.00 0.00 O ATOM 2330 OE2 GLU A 154 2.638 -9.403 -8.773 1.00 0.00 O ATOM 0 H GLU A 154 5.589 -12.257 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 154 3.121 -10.649 -4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 154 4.711 -12.026 -6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 154 3.003 -12.393 -6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 154 2.497 -9.944 -6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 154 4.214 -9.605 -6.339 1.00 0.00 H new ATOM 2337 N TRP A 155 1.430 -12.261 -3.402 1.00 0.00 N ATOM 2338 CA TRP A 155 0.422 -13.152 -2.744 1.00 0.00 C ATOM 2339 C TRP A 155 -1.002 -12.999 -3.392 1.00 0.00 C ATOM 2340 O TRP A 155 -1.298 -12.029 -4.099 1.00 0.00 O ATOM 2341 CB TRP A 155 0.302 -12.814 -1.228 1.00 0.00 C ATOM 2342 CG TRP A 155 1.511 -12.808 -0.279 1.00 0.00 C ATOM 2343 CD1 TRP A 155 2.498 -11.806 -0.274 1.00 0.00 C ATOM 2344 CD2 TRP A 155 1.690 -13.495 0.913 1.00 0.00 C ATOM 2345 NE1 TRP A 155 3.301 -11.857 0.876 1.00 0.00 N ATOM 2346 CE2 TRP A 155 2.774 -12.897 1.604 1.00 0.00 C ATOM 2347 CE3 TRP A 155 0.943 -14.533 1.528 1.00 0.00 C ATOM 2348 CZ2 TRP A 155 3.099 -13.308 2.915 1.00 0.00 C ATOM 2349 CZ3 TRP A 155 1.315 -14.956 2.808 1.00 0.00 C ATOM 2350 CH2 TRP A 155 2.369 -14.345 3.494 1.00 0.00 C ATOM 0 H TRP A 155 1.136 -11.286 -3.452 1.00 0.00 H new ATOM 0 HA TRP A 155 0.771 -14.176 -2.881 1.00 0.00 H new ATOM 0 HB2 TRP A 155 -0.147 -11.823 -1.165 1.00 0.00 H new ATOM 0 HB3 TRP A 155 -0.418 -13.517 -0.809 1.00 0.00 H new ATOM 0 HD1 TRP A 155 2.624 -11.081 -1.064 1.00 0.00 H new ATOM 0 HE1 TRP A 155 4.093 -11.260 1.116 1.00 0.00 H new ATOM 0 HE3 TRP A 155 0.105 -14.986 1.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 155 3.899 -12.828 3.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 155 0.779 -15.769 3.275 1.00 0.00 H new ATOM 0 HH2 TRP A 155 2.622 -14.682 4.489 1.00 0.00 H new ATOM 2361 N VAL A 156 -1.914 -13.938 -3.079 1.00 0.00 N ATOM 2362 CA VAL A 156 -3.236 -14.069 -3.785 1.00 0.00 C ATOM 2363 C VAL A 156 -4.526 -14.261 -2.885 1.00 0.00 C ATOM 2364 O VAL A 156 -5.608 -14.491 -3.429 1.00 0.00 O ATOM 2365 CB VAL A 156 -3.012 -15.186 -4.876 1.00 0.00 C ATOM 2366 CG1 VAL A 156 -2.913 -16.629 -4.322 1.00 0.00 C ATOM 2367 CG2 VAL A 156 -4.040 -15.159 -6.027 1.00 0.00 C ATOM 0 H VAL A 156 -1.774 -14.628 -2.341 1.00 0.00 H new ATOM 0 HA VAL A 156 -3.503 -13.111 -4.231 1.00 0.00 H new ATOM 0 HB VAL A 156 -2.034 -14.915 -5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 156 -2.759 -17.325 -5.146 1.00 0.00 H new ATOM 0 HG12 VAL A 156 -2.074 -16.696 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 156 -3.836 -16.882 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 156 -3.816 -15.958 -6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 156 -5.042 -15.302 -5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 156 -3.989 -14.198 -6.538 1.00 0.00 H new ATOM 2377 N ARG A 157 -4.460 -14.156 -1.534 1.00 0.00 N ATOM 2378 CA ARG A 157 -5.591 -14.505 -0.603 1.00 0.00 C ATOM 2379 C ARG A 157 -5.990 -16.030 -0.572 1.00 0.00 C ATOM 2380 O ARG A 157 -5.651 -16.825 -1.452 1.00 0.00 O ATOM 2381 CB ARG A 157 -6.812 -13.529 -0.731 1.00 0.00 C ATOM 2382 CG ARG A 157 -6.675 -12.182 0.031 1.00 0.00 C ATOM 2383 CD ARG A 157 -7.990 -11.453 0.374 1.00 0.00 C ATOM 2384 NE ARG A 157 -8.728 -12.144 1.468 1.00 0.00 N ATOM 2385 CZ ARG A 157 -9.854 -12.821 1.322 1.00 0.00 C ATOM 2386 NH1 ARG A 157 -10.621 -12.744 0.264 1.00 0.00 N ATOM 2387 NH2 ARG A 157 -10.197 -13.613 2.289 1.00 0.00 N ATOM 0 H ARG A 157 -3.626 -13.828 -1.048 1.00 0.00 H new ATOM 0 HA ARG A 157 -5.180 -14.339 0.393 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -6.974 -13.314 -1.787 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.704 -14.041 -0.370 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.135 -12.368 0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.059 -11.512 -0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.772 -10.428 0.672 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.620 -11.400 -0.514 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.332 -12.090 2.407 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -10.361 -12.134 -0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -11.478 -13.294 0.215 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -9.606 -13.693 3.117 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.058 -14.156 2.222 1.00 0.00 H new ATOM 2401 N SER A 158 -6.751 -16.442 0.459 1.00 0.00 N ATOM 2402 CA SER A 158 -7.404 -17.783 0.504 1.00 0.00 C ATOM 2403 C SER A 158 -8.383 -18.062 -0.685 1.00 0.00 C ATOM 2404 O SER A 158 -9.498 -17.530 -0.755 1.00 0.00 O ATOM 2405 CB SER A 158 -8.092 -17.937 1.870 1.00 0.00 C ATOM 2406 OG SER A 158 -8.725 -19.213 2.003 1.00 0.00 O ATOM 0 H SER A 158 -6.935 -15.868 1.282 1.00 0.00 H new ATOM 0 HA SER A 158 -6.629 -18.540 0.383 1.00 0.00 H new ATOM 0 HB2 SER A 158 -7.356 -17.811 2.664 1.00 0.00 H new ATOM 0 HB3 SER A 158 -8.834 -17.148 1.995 1.00 0.00 H new ATOM 0 HG SER A 158 -8.340 -19.691 2.766 1.00 0.00 H new