USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 733 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 30 THR OG1 : rot -178:sc= -7.09! USER MOD Set 1.2: A 32 GLN : amide:sc= 0 X(o=-13,f=-13) USER MOD Set 1.3: A 33 ASN : amide:sc= -5.62! C(o=-13!,f=-22!) USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.0929 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 140:sc= -1.82 (180deg=-4.06) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -5.11! C(o=-6!,f=-5.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= -4.82! (180deg=-5.48!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 154:sc= -0.141 (180deg=-1.06) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -117:sc= 0 (180deg=-0.449) USER MOD Single : A 45 SER OG : rot 170:sc= 0 USER MOD Single : A 53 MET CE :methyl -179:sc= -1.57 (180deg=-1.57) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -0.836 F(o=-1.8,f=-0.84) USER MOD Single : A 58 ASN : amide:sc= -1.87! C(o=-1.9!,f=-8.1!) USER MOD Single : A 70 HIS : no HE2:sc= -3.86 K(o=-3.9,f=-4.7!) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 163:sc= -2.57! (180deg=-3.22!) USER MOD Single : A 86 ASN : amide:sc= 0.726 K(o=0.73,f=-7.9!) USER MOD Single : A 87 THR OG1 : rot -18:sc= 1.27 USER MOD Single : A 94 LYS NZ :NH3+ -161:sc= -0.0321 (180deg=-0.374) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0749 USER MOD Single : A 100 HIS : no HE2:sc= -6.66! C(o=-6.7!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 50.537 4.755 -2.367 1.00 0.00 N ATOM 2 CA GLY A 1 51.701 5.681 -2.485 1.00 0.00 C ATOM 3 C GLY A 1 52.501 5.335 -3.736 1.00 0.00 C ATOM 4 O GLY A 1 52.000 4.667 -4.639 1.00 0.00 O ATOM 0 H1 GLY A 1 49.717 5.274 -1.995 1.00 0.00 H new ATOM 0 H2 GLY A 1 50.305 4.367 -3.304 1.00 0.00 H new ATOM 0 H3 GLY A 1 50.777 3.977 -1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 1 51.354 6.713 -2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 1 52.334 5.601 -1.602 1.00 0.00 H new ATOM 10 N ALA A 2 53.747 5.795 -3.779 1.00 0.00 N ATOM 11 CA ALA A 2 54.608 5.528 -4.925 1.00 0.00 C ATOM 12 C ALA A 2 54.939 4.042 -5.012 1.00 0.00 C ATOM 13 O ALA A 2 55.169 3.389 -3.995 1.00 0.00 O ATOM 14 CB ALA A 2 55.904 6.330 -4.804 1.00 0.00 C ATOM 0 H ALA A 2 54.180 6.350 -3.041 1.00 0.00 H new ATOM 0 HA ALA A 2 54.077 5.827 -5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 2 56.541 6.124 -5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 2 55.671 7.394 -4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 2 56.425 6.044 -3.890 1.00 0.00 H new ATOM 20 N MET A 3 54.961 3.512 -6.234 1.00 0.00 N ATOM 21 CA MET A 3 55.267 2.096 -6.449 1.00 0.00 C ATOM 22 C MET A 3 56.702 1.926 -6.935 1.00 0.00 C ATOM 23 O MET A 3 57.089 2.476 -7.967 1.00 0.00 O ATOM 24 CB MET A 3 54.301 1.508 -7.478 1.00 0.00 C ATOM 25 CG MET A 3 54.583 0.015 -7.647 1.00 0.00 C ATOM 26 SD MET A 3 53.318 -0.724 -8.710 1.00 0.00 S ATOM 27 CE MET A 3 54.126 -0.395 -10.294 1.00 0.00 C ATOM 0 H MET A 3 54.772 4.038 -7.087 1.00 0.00 H new ATOM 0 HA MET A 3 55.154 1.568 -5.502 1.00 0.00 H new ATOM 0 HB2 MET A 3 53.271 1.660 -7.154 1.00 0.00 H new ATOM 0 HB3 MET A 3 54.414 2.021 -8.433 1.00 0.00 H new ATOM 0 HG2 MET A 3 55.571 -0.132 -8.084 1.00 0.00 H new ATOM 0 HG3 MET A 3 54.588 -0.477 -6.674 1.00 0.00 H new ATOM 0 HE1 MET A 3 53.505 -0.776 -11.105 1.00 0.00 H new ATOM 0 HE2 MET A 3 54.264 0.679 -10.416 1.00 0.00 H new ATOM 0 HE3 MET A 3 55.097 -0.890 -10.317 1.00 0.00 H new ATOM 37 N GLY A 4 57.487 1.160 -6.183 1.00 0.00 N ATOM 38 CA GLY A 4 58.880 0.918 -6.541 1.00 0.00 C ATOM 39 C GLY A 4 59.633 0.266 -5.382 1.00 0.00 C ATOM 40 O GLY A 4 59.032 -0.121 -4.381 1.00 0.00 O ATOM 0 H GLY A 4 57.184 0.698 -5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 4 58.928 0.274 -7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 4 59.360 1.859 -6.809 1.00 0.00 H new ATOM 44 N SER A 5 60.949 0.156 -5.527 1.00 0.00 N ATOM 45 CA SER A 5 61.774 -0.446 -4.483 1.00 0.00 C ATOM 46 C SER A 5 61.569 0.283 -3.164 1.00 0.00 C ATOM 47 O SER A 5 60.709 1.158 -3.056 1.00 0.00 O ATOM 48 CB SER A 5 63.250 -0.380 -4.879 1.00 0.00 C ATOM 49 OG SER A 5 63.412 -0.942 -6.175 1.00 0.00 O ATOM 0 H SER A 5 61.465 0.472 -6.348 1.00 0.00 H new ATOM 0 HA SER A 5 61.478 -1.488 -4.364 1.00 0.00 H new ATOM 0 HB2 SER A 5 63.595 0.654 -4.872 1.00 0.00 H new ATOM 0 HB3 SER A 5 63.858 -0.923 -4.155 1.00 0.00 H new ATOM 0 HG SER A 5 64.356 -0.900 -6.434 1.00 0.00 H new ATOM 55 N CYS A 6 62.357 -0.084 -2.159 1.00 0.00 N ATOM 56 CA CYS A 6 62.249 0.545 -0.847 1.00 0.00 C ATOM 57 C CYS A 6 60.834 0.415 -0.298 1.00 0.00 C ATOM 58 O CYS A 6 59.957 1.214 -0.619 1.00 0.00 O ATOM 59 CB CYS A 6 62.635 2.027 -0.940 1.00 0.00 C ATOM 60 SG CYS A 6 62.131 2.891 0.571 1.00 0.00 S ATOM 0 H CYS A 6 63.072 -0.808 -2.226 1.00 0.00 H new ATOM 0 HA CYS A 6 62.933 0.036 -0.168 1.00 0.00 H new ATOM 0 HB2 CYS A 6 63.711 2.123 -1.083 1.00 0.00 H new ATOM 0 HB3 CYS A 6 62.157 2.483 -1.807 1.00 0.00 H new ATOM 65 N ARG A 7 60.630 -0.591 0.545 1.00 0.00 N ATOM 66 CA ARG A 7 59.327 -0.812 1.155 1.00 0.00 C ATOM 67 C ARG A 7 59.065 0.265 2.209 1.00 0.00 C ATOM 68 O ARG A 7 58.152 1.072 2.049 1.00 0.00 O ATOM 69 CB ARG A 7 59.268 -2.222 1.791 1.00 0.00 C ATOM 70 CG ARG A 7 58.562 -3.215 0.862 1.00 0.00 C ATOM 71 CD ARG A 7 59.443 -3.464 -0.359 1.00 0.00 C ATOM 72 NE ARG A 7 60.663 -4.159 0.039 1.00 0.00 N ATOM 73 CZ ARG A 7 61.725 -4.193 -0.759 1.00 0.00 C ATOM 74 NH1 ARG A 7 61.692 -3.585 -1.912 1.00 0.00 N ATOM 75 NH2 ARG A 7 62.804 -4.830 -0.388 1.00 0.00 N1+ ATOM 0 H ARG A 7 61.347 -1.263 0.820 1.00 0.00 H new ATOM 0 HA ARG A 7 58.555 -0.750 0.388 1.00 0.00 H new ATOM 0 HB2 ARG A 7 60.278 -2.572 2.003 1.00 0.00 H new ATOM 0 HB3 ARG A 7 58.742 -2.173 2.744 1.00 0.00 H new ATOM 0 HG2 ARG A 7 58.372 -4.151 1.386 1.00 0.00 H new ATOM 0 HG3 ARG A 7 57.594 -2.820 0.554 1.00 0.00 H new ATOM 0 HD2 ARG A 7 58.900 -4.058 -1.094 1.00 0.00 H new ATOM 0 HD3 ARG A 7 59.694 -2.517 -0.836 1.00 0.00 H new ATOM 0 HE ARG A 7 60.701 -4.626 0.945 1.00 0.00 H new ATOM 0 HH11 ARG A 7 60.852 -3.084 -2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 7 62.507 -3.610 -2.525 1.00 0.00 H new ATOM 0 HH21 ARG A 7 62.832 -5.302 0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 7 63.618 -4.855 -1.002 1.00 0.00 H new ATOM 89 N PRO A 8 59.841 0.300 3.273 1.00 0.00 N ATOM 90 CA PRO A 8 59.667 1.316 4.356 1.00 0.00 C ATOM 91 C PRO A 8 59.879 2.742 3.817 1.00 0.00 C ATOM 92 O PRO A 8 61.001 3.105 3.460 1.00 0.00 O ATOM 93 CB PRO A 8 60.746 0.936 5.391 1.00 0.00 C ATOM 94 CG PRO A 8 61.755 0.142 4.627 1.00 0.00 C ATOM 95 CD PRO A 8 60.967 -0.611 3.565 1.00 0.00 C ATOM 0 HA PRO A 8 58.663 1.315 4.781 1.00 0.00 H new ATOM 0 HB2 PRO A 8 61.197 1.824 5.835 1.00 0.00 H new ATOM 0 HB3 PRO A 8 60.321 0.352 6.208 1.00 0.00 H new ATOM 0 HG2 PRO A 8 62.502 0.792 4.173 1.00 0.00 H new ATOM 0 HG3 PRO A 8 62.288 -0.548 5.282 1.00 0.00 H new ATOM 0 HD2 PRO A 8 61.570 -0.804 2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 8 60.619 -1.577 3.931 1.00 0.00 H new ATOM 103 N PRO A 9 58.842 3.553 3.733 1.00 0.00 N ATOM 104 CA PRO A 9 58.967 4.939 3.205 1.00 0.00 C ATOM 105 C PRO A 9 59.444 5.928 4.263 1.00 0.00 C ATOM 106 O PRO A 9 58.764 6.123 5.269 1.00 0.00 O ATOM 107 CB PRO A 9 57.540 5.276 2.751 1.00 0.00 C ATOM 108 CG PRO A 9 56.646 4.482 3.658 1.00 0.00 C ATOM 109 CD PRO A 9 57.449 3.257 4.122 1.00 0.00 C ATOM 0 HA PRO A 9 59.708 5.006 2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 9 57.341 6.344 2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 9 57.384 5.005 1.707 1.00 0.00 H new ATOM 0 HG2 PRO A 9 56.331 5.083 4.512 1.00 0.00 H new ATOM 0 HG3 PRO A 9 55.741 4.174 3.134 1.00 0.00 H new ATOM 0 HD2 PRO A 9 57.361 3.110 5.199 1.00 0.00 H new ATOM 0 HD3 PRO A 9 57.090 2.345 3.646 1.00 0.00 H new ATOM 117 N MET A 10 60.601 6.564 4.044 1.00 0.00 N ATOM 118 CA MET A 10 61.131 7.535 5.001 1.00 0.00 C ATOM 119 C MET A 10 61.482 8.831 4.271 1.00 0.00 C ATOM 120 O MET A 10 60.944 9.894 4.578 1.00 0.00 O ATOM 121 CB MET A 10 62.385 6.964 5.700 1.00 0.00 C ATOM 122 CG MET A 10 62.436 5.437 5.538 1.00 0.00 C ATOM 123 SD MET A 10 62.910 5.021 3.836 1.00 0.00 S ATOM 124 CE MET A 10 63.624 3.389 4.172 1.00 0.00 C ATOM 0 H MET A 10 61.183 6.423 3.218 1.00 0.00 H new ATOM 0 HA MET A 10 60.375 7.742 5.758 1.00 0.00 H new ATOM 0 HB2 MET A 10 63.283 7.412 5.274 1.00 0.00 H new ATOM 0 HB3 MET A 10 62.370 7.224 6.758 1.00 0.00 H new ATOM 0 HG2 MET A 10 63.152 5.010 6.240 1.00 0.00 H new ATOM 0 HG3 MET A 10 61.464 5.004 5.772 1.00 0.00 H new ATOM 0 HE1 MET A 10 63.341 2.698 3.378 1.00 0.00 H new ATOM 0 HE2 MET A 10 64.710 3.469 4.214 1.00 0.00 H new ATOM 0 HE3 MET A 10 63.250 3.018 5.126 1.00 0.00 H new ATOM 134 N VAL A 11 62.393 8.730 3.288 1.00 0.00 N ATOM 135 CA VAL A 11 62.810 9.898 2.513 1.00 0.00 C ATOM 136 C VAL A 11 62.306 9.760 1.094 1.00 0.00 C ATOM 137 O VAL A 11 62.819 8.958 0.327 1.00 0.00 O ATOM 138 CB VAL A 11 64.338 10.003 2.493 1.00 0.00 C ATOM 139 CG1 VAL A 11 64.756 11.436 2.170 1.00 0.00 C ATOM 140 CG2 VAL A 11 64.900 9.611 3.855 1.00 0.00 C ATOM 0 H VAL A 11 62.848 7.858 3.017 1.00 0.00 H new ATOM 0 HA VAL A 11 62.396 10.795 2.973 1.00 0.00 H new ATOM 0 HB VAL A 11 64.728 9.330 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 11 65.844 11.504 2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 11 64.364 11.718 1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 11 64.359 12.111 2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 11 65.987 9.687 3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 11 64.503 10.280 4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 11 64.612 8.585 4.086 1.00 0.00 H new ATOM 150 N LYS A 12 61.309 10.552 0.754 1.00 0.00 N ATOM 151 CA LYS A 12 60.730 10.517 -0.579 1.00 0.00 C ATOM 152 C LYS A 12 61.563 11.321 -1.562 1.00 0.00 C ATOM 153 O LYS A 12 62.078 12.391 -1.238 1.00 0.00 O ATOM 154 CB LYS A 12 59.317 11.099 -0.537 1.00 0.00 C ATOM 155 CG LYS A 12 58.372 10.194 0.268 1.00 0.00 C ATOM 156 CD LYS A 12 57.874 9.032 -0.601 1.00 0.00 C ATOM 157 CE LYS A 12 56.846 8.215 0.184 1.00 0.00 C ATOM 158 NZ LYS A 12 56.386 7.073 -0.652 1.00 0.00 N1+ ATOM 0 H LYS A 12 60.880 11.231 1.383 1.00 0.00 H new ATOM 0 HA LYS A 12 60.705 9.479 -0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 12 59.342 12.093 -0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 12 58.938 11.215 -1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 12 58.890 9.805 1.144 1.00 0.00 H new ATOM 0 HG3 LYS A 12 57.524 10.775 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 12 57.427 9.415 -1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 12 58.711 8.398 -0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 12 57.287 7.848 1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 12 55.999 8.843 0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 55.687 6.514 -0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 55.951 7.435 -1.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 57.198 6.471 -0.894 1.00 0.00 H new ATOM 172 N LEU A 13 61.666 10.796 -2.777 1.00 0.00 N ATOM 173 CA LEU A 13 62.413 11.452 -3.840 1.00 0.00 C ATOM 174 C LEU A 13 61.671 11.304 -5.150 1.00 0.00 C ATOM 175 O LEU A 13 61.374 10.192 -5.577 1.00 0.00 O ATOM 176 CB LEU A 13 63.816 10.835 -3.944 1.00 0.00 C ATOM 177 CG LEU A 13 63.746 9.370 -4.465 1.00 0.00 C ATOM 178 CD1 LEU A 13 64.002 9.320 -5.985 1.00 0.00 C ATOM 179 CD2 LEU A 13 64.807 8.519 -3.761 1.00 0.00 C ATOM 0 H LEU A 13 61.238 9.912 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 13 62.514 12.513 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 13 64.431 11.434 -4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 13 64.299 10.854 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 13 62.750 8.981 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 13 63.949 8.287 -6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 13 63.247 9.914 -6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 13 64.991 9.724 -6.201 1.00 0.00 H new ATOM 0 HD21 LEU A 13 64.754 7.494 -4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 13 65.796 8.928 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 13 64.626 8.528 -2.686 1.00 0.00 H new ATOM 191 N VAL A 14 61.348 12.428 -5.782 1.00 0.00 N ATOM 192 CA VAL A 14 60.616 12.416 -7.044 1.00 0.00 C ATOM 193 C VAL A 14 61.418 13.126 -8.120 1.00 0.00 C ATOM 194 O VAL A 14 62.327 13.897 -7.823 1.00 0.00 O ATOM 195 CB VAL A 14 59.266 13.090 -6.858 1.00 0.00 C ATOM 196 CG1 VAL A 14 58.424 12.266 -5.885 1.00 0.00 C ATOM 197 CG2 VAL A 14 59.479 14.497 -6.291 1.00 0.00 C ATOM 0 H VAL A 14 61.582 13.360 -5.440 1.00 0.00 H new ATOM 0 HA VAL A 14 60.457 11.384 -7.357 1.00 0.00 H new ATOM 0 HB VAL A 14 58.751 13.159 -7.816 1.00 0.00 H new ATOM 0 HG11 VAL A 14 57.454 12.745 -5.748 1.00 0.00 H new ATOM 0 HG12 VAL A 14 58.280 11.263 -6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 14 58.936 12.202 -4.925 1.00 0.00 H new ATOM 0 HG21 VAL A 14 58.514 14.985 -6.156 1.00 0.00 H new ATOM 0 HG22 VAL A 14 59.989 14.429 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 14 60.086 15.080 -6.983 1.00 0.00 H new ATOM 207 N CYS A 15 61.076 12.858 -9.378 1.00 0.00 N ATOM 208 CA CYS A 15 61.777 13.479 -10.507 1.00 0.00 C ATOM 209 C CYS A 15 60.889 14.530 -11.193 1.00 0.00 C ATOM 210 O CYS A 15 59.857 14.182 -11.763 1.00 0.00 O ATOM 211 CB CYS A 15 62.171 12.406 -11.516 1.00 0.00 C ATOM 212 SG CYS A 15 62.989 11.053 -10.636 1.00 0.00 S ATOM 0 H CYS A 15 60.325 12.221 -9.644 1.00 0.00 H new ATOM 0 HA CYS A 15 62.670 13.976 -10.128 1.00 0.00 H new ATOM 0 HB2 CYS A 15 61.289 12.037 -12.039 1.00 0.00 H new ATOM 0 HB3 CYS A 15 62.838 12.824 -12.270 1.00 0.00 H new ATOM 217 N PRO A 16 61.255 15.801 -11.159 1.00 0.00 N ATOM 218 CA PRO A 16 60.438 16.880 -11.808 1.00 0.00 C ATOM 219 C PRO A 16 59.988 16.514 -13.224 1.00 0.00 C ATOM 220 O PRO A 16 60.339 15.458 -13.749 1.00 0.00 O ATOM 221 CB PRO A 16 61.383 18.085 -11.837 1.00 0.00 C ATOM 222 CG PRO A 16 62.324 17.874 -10.693 1.00 0.00 C ATOM 223 CD PRO A 16 62.461 16.364 -10.507 1.00 0.00 C ATOM 0 HA PRO A 16 59.513 17.063 -11.262 1.00 0.00 H new ATOM 0 HB2 PRO A 16 61.920 18.141 -12.784 1.00 0.00 H new ATOM 0 HB3 PRO A 16 60.833 19.020 -11.727 1.00 0.00 H new ATOM 0 HG2 PRO A 16 63.293 18.327 -10.901 1.00 0.00 H new ATOM 0 HG3 PRO A 16 61.941 18.342 -9.786 1.00 0.00 H new ATOM 0 HD2 PRO A 16 63.374 15.988 -10.968 1.00 0.00 H new ATOM 0 HD3 PRO A 16 62.504 16.096 -9.451 1.00 0.00 H new ATOM 231 N ALA A 17 59.220 17.410 -13.840 1.00 0.00 N ATOM 232 CA ALA A 17 58.738 17.188 -15.193 1.00 0.00 C ATOM 233 C ALA A 17 59.912 17.020 -16.134 1.00 0.00 C ATOM 234 O ALA A 17 59.940 16.097 -16.947 1.00 0.00 O ATOM 235 CB ALA A 17 57.878 18.368 -15.648 1.00 0.00 C ATOM 0 H ALA A 17 58.921 18.291 -13.423 1.00 0.00 H new ATOM 0 HA ALA A 17 58.131 16.282 -15.206 1.00 0.00 H new ATOM 0 HB1 ALA A 17 57.523 18.190 -16.663 1.00 0.00 H new ATOM 0 HB2 ALA A 17 57.024 18.476 -14.979 1.00 0.00 H new ATOM 0 HB3 ALA A 17 58.473 19.281 -15.627 1.00 0.00 H new ATOM 241 N ASP A 18 60.901 17.902 -16.004 1.00 0.00 N ATOM 242 CA ASP A 18 62.096 17.825 -16.840 1.00 0.00 C ATOM 243 C ASP A 18 63.257 17.260 -16.037 1.00 0.00 C ATOM 244 O ASP A 18 64.420 17.469 -16.382 1.00 0.00 O ATOM 245 CB ASP A 18 62.470 19.206 -17.378 1.00 0.00 C ATOM 246 CG ASP A 18 61.503 19.621 -18.483 1.00 0.00 C ATOM 247 OD1 ASP A 18 60.831 18.752 -19.015 1.00 0.00 O ATOM 248 OD2 ASP A 18 61.447 20.802 -18.778 1.00 0.00 O1- ATOM 0 H ASP A 18 60.899 18.671 -15.334 1.00 0.00 H new ATOM 0 HA ASP A 18 61.882 17.167 -17.682 1.00 0.00 H new ATOM 0 HB2 ASP A 18 62.446 19.938 -16.570 1.00 0.00 H new ATOM 0 HB3 ASP A 18 63.489 19.190 -17.764 1.00 0.00 H new ATOM 253 N ASN A 19 62.929 16.552 -14.962 1.00 0.00 N ATOM 254 CA ASN A 19 63.942 15.950 -14.104 1.00 0.00 C ATOM 255 C ASN A 19 65.080 16.919 -13.833 1.00 0.00 C ATOM 256 O ASN A 19 66.225 16.661 -14.208 1.00 0.00 O ATOM 257 CB ASN A 19 64.500 14.681 -14.738 1.00 0.00 C ATOM 258 CG ASN A 19 64.988 14.968 -16.152 1.00 0.00 C ATOM 259 OD1 ASN A 19 64.315 14.507 -17.168 1.00 0.00 O flip ATOM 260 ND2 ASN A 19 66.001 15.644 -16.336 1.00 0.00 N flip ATOM 0 H ASN A 19 61.969 16.381 -14.664 1.00 0.00 H new ATOM 0 HA ASN A 19 63.461 15.700 -13.158 1.00 0.00 H new ATOM 0 HB2 ASN A 19 65.321 14.295 -14.134 1.00 0.00 H new ATOM 0 HB3 ASN A 19 63.731 13.909 -14.761 1.00 0.00 H new ATOM 0 HD21 ASN A 19 66.526 16.004 -15.539 1.00 0.00 H new ATOM 0 HD22 ASN A 19 66.315 15.844 -17.286 1.00 0.00 H new ATOM 267 N LEU A 20 64.765 18.044 -13.187 1.00 0.00 N ATOM 268 CA LEU A 20 65.778 19.053 -12.876 1.00 0.00 C ATOM 269 C LEU A 20 66.012 19.162 -11.378 1.00 0.00 C ATOM 270 O LEU A 20 66.517 20.175 -10.893 1.00 0.00 O ATOM 271 CB LEU A 20 65.354 20.419 -13.434 1.00 0.00 C ATOM 272 CG LEU A 20 63.955 20.816 -12.883 1.00 0.00 C ATOM 273 CD1 LEU A 20 63.884 22.328 -12.651 1.00 0.00 C ATOM 274 CD2 LEU A 20 62.851 20.408 -13.873 1.00 0.00 C ATOM 0 H LEU A 20 63.824 18.278 -12.871 1.00 0.00 H new ATOM 0 HA LEU A 20 66.711 18.742 -13.345 1.00 0.00 H new ATOM 0 HB2 LEU A 20 66.089 21.176 -13.159 1.00 0.00 H new ATOM 0 HB3 LEU A 20 65.326 20.382 -14.523 1.00 0.00 H new ATOM 0 HG LEU A 20 63.804 20.295 -11.938 1.00 0.00 H new ATOM 0 HD11 LEU A 20 62.899 22.591 -12.265 1.00 0.00 H new ATOM 0 HD12 LEU A 20 64.646 22.622 -11.930 1.00 0.00 H new ATOM 0 HD13 LEU A 20 64.056 22.849 -13.593 1.00 0.00 H new ATOM 0 HD21 LEU A 20 61.879 20.693 -13.471 1.00 0.00 H new ATOM 0 HD22 LEU A 20 63.012 20.912 -14.826 1.00 0.00 H new ATOM 0 HD23 LEU A 20 62.879 19.329 -14.024 1.00 0.00 H new ATOM 286 N ARG A 21 65.651 18.117 -10.648 1.00 0.00 N ATOM 287 CA ARG A 21 65.837 18.114 -9.201 1.00 0.00 C ATOM 288 C ARG A 21 66.255 16.729 -8.729 1.00 0.00 C ATOM 289 O ARG A 21 65.615 16.135 -7.861 1.00 0.00 O ATOM 290 CB ARG A 21 64.538 18.526 -8.509 1.00 0.00 C ATOM 291 CG ARG A 21 64.823 18.877 -7.051 1.00 0.00 C ATOM 292 CD ARG A 21 63.529 19.334 -6.378 1.00 0.00 C ATOM 293 NE ARG A 21 62.580 18.224 -6.302 1.00 0.00 N ATOM 294 CZ ARG A 21 62.616 17.355 -5.295 1.00 0.00 C ATOM 295 NH1 ARG A 21 63.514 17.480 -4.358 1.00 0.00 N ATOM 296 NH2 ARG A 21 61.754 16.376 -5.243 1.00 0.00 N1+ ATOM 0 H ARG A 21 65.232 17.268 -11.027 1.00 0.00 H new ATOM 0 HA ARG A 21 66.621 18.827 -8.946 1.00 0.00 H new ATOM 0 HB2 ARG A 21 64.098 19.382 -9.020 1.00 0.00 H new ATOM 0 HB3 ARG A 21 63.812 17.715 -8.563 1.00 0.00 H new ATOM 0 HG2 ARG A 21 65.231 18.011 -6.530 1.00 0.00 H new ATOM 0 HG3 ARG A 21 65.573 19.666 -6.995 1.00 0.00 H new ATOM 0 HD2 ARG A 21 63.744 19.708 -5.377 1.00 0.00 H new ATOM 0 HD3 ARG A 21 63.090 20.159 -6.939 1.00 0.00 H new ATOM 0 HE ARG A 21 61.878 18.114 -7.034 1.00 0.00 H new ATOM 0 HH11 ARG A 21 64.189 18.244 -4.397 1.00 0.00 H new ATOM 0 HH12 ARG A 21 63.542 16.814 -3.586 1.00 0.00 H new ATOM 0 HH21 ARG A 21 61.051 16.276 -5.975 1.00 0.00 H new ATOM 0 HH22 ARG A 21 61.784 15.711 -4.470 1.00 0.00 H new ATOM 310 N ALA A 22 67.336 16.216 -9.304 1.00 0.00 N ATOM 311 CA ALA A 22 67.835 14.897 -8.932 1.00 0.00 C ATOM 312 C ALA A 22 69.319 14.782 -9.237 1.00 0.00 C ATOM 313 O ALA A 22 69.854 15.513 -10.069 1.00 0.00 O ATOM 314 CB ALA A 22 67.083 13.811 -9.693 1.00 0.00 C ATOM 0 H ALA A 22 67.881 16.689 -10.025 1.00 0.00 H new ATOM 0 HA ALA A 22 67.677 14.767 -7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 22 67.467 12.832 -9.405 1.00 0.00 H new ATOM 0 HB2 ALA A 22 66.021 13.869 -9.455 1.00 0.00 H new ATOM 0 HB3 ALA A 22 67.223 13.954 -10.764 1.00 0.00 H new ATOM 320 N GLU A 23 69.983 13.861 -8.546 1.00 0.00 N ATOM 321 CA GLU A 23 71.417 13.650 -8.732 1.00 0.00 C ATOM 322 C GLU A 23 71.759 12.164 -8.644 1.00 0.00 C ATOM 323 O GLU A 23 70.903 11.337 -8.325 1.00 0.00 O ATOM 324 CB GLU A 23 72.193 14.420 -7.664 1.00 0.00 C ATOM 325 CG GLU A 23 72.066 15.928 -7.909 1.00 0.00 C ATOM 326 CD GLU A 23 72.792 16.697 -6.809 1.00 0.00 C ATOM 327 OE1 GLU A 23 73.348 16.056 -5.932 1.00 0.00 O ATOM 328 OE2 GLU A 23 72.780 17.916 -6.861 1.00 0.00 O1- ATOM 0 H GLU A 23 69.553 13.249 -7.853 1.00 0.00 H new ATOM 0 HA GLU A 23 71.696 14.013 -9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 23 71.811 14.171 -6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 23 73.243 14.127 -7.683 1.00 0.00 H new ATOM 0 HG2 GLU A 23 72.487 16.184 -8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 23 71.014 16.214 -7.931 1.00 0.00 H new ATOM 335 N GLY A 24 73.015 11.833 -8.929 1.00 0.00 N ATOM 336 CA GLY A 24 73.461 10.445 -8.882 1.00 0.00 C ATOM 337 C GLY A 24 73.250 9.858 -7.491 1.00 0.00 C ATOM 338 O GLY A 24 72.854 8.702 -7.348 1.00 0.00 O ATOM 0 H GLY A 24 73.738 12.502 -9.193 1.00 0.00 H new ATOM 0 HA2 GLY A 24 72.913 9.857 -9.618 1.00 0.00 H new ATOM 0 HA3 GLY A 24 74.516 10.388 -9.150 1.00 0.00 H new ATOM 342 N LEU A 25 73.516 10.663 -6.471 1.00 0.00 N ATOM 343 CA LEU A 25 73.347 10.215 -5.095 1.00 0.00 C ATOM 344 C LEU A 25 71.881 9.921 -4.806 1.00 0.00 C ATOM 345 O LEU A 25 71.556 8.951 -4.118 1.00 0.00 O ATOM 346 CB LEU A 25 73.872 11.290 -4.132 1.00 0.00 C ATOM 347 CG LEU A 25 75.409 11.209 -4.040 1.00 0.00 C ATOM 348 CD1 LEU A 25 75.851 9.931 -3.291 1.00 0.00 C ATOM 349 CD2 LEU A 25 75.993 11.215 -5.463 1.00 0.00 C ATOM 0 H LEU A 25 73.847 11.623 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 25 73.916 9.297 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 25 73.572 12.279 -4.479 1.00 0.00 H new ATOM 0 HB3 LEU A 25 73.432 11.151 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 25 75.779 12.069 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 25 76.939 9.897 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 25 75.440 9.940 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 25 75.486 9.053 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 25 77.080 11.158 -5.410 1.00 0.00 H new ATOM 0 HD22 LEU A 25 75.611 10.357 -6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 25 75.702 12.134 -5.972 1.00 0.00 H new ATOM 361 N GLU A 26 71.001 10.761 -5.330 1.00 0.00 N ATOM 362 CA GLU A 26 69.572 10.582 -5.117 1.00 0.00 C ATOM 363 C GLU A 26 69.108 9.252 -5.703 1.00 0.00 C ATOM 364 O GLU A 26 68.216 8.603 -5.158 1.00 0.00 O ATOM 365 CB GLU A 26 68.800 11.730 -5.761 1.00 0.00 C ATOM 366 CG GLU A 26 67.315 11.595 -5.425 1.00 0.00 C ATOM 367 CD GLU A 26 66.542 12.778 -5.993 1.00 0.00 C ATOM 368 OE1 GLU A 26 66.917 13.902 -5.701 1.00 0.00 O ATOM 369 OE2 GLU A 26 65.588 12.544 -6.715 1.00 0.00 O1- ATOM 0 H GLU A 26 71.248 11.568 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 26 69.379 10.578 -4.044 1.00 0.00 H new ATOM 0 HB2 GLU A 26 69.180 12.686 -5.401 1.00 0.00 H new ATOM 0 HB3 GLU A 26 68.942 11.717 -6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 26 66.924 10.664 -5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 26 67.181 11.548 -4.344 1.00 0.00 H new ATOM 376 N CYS A 27 69.722 8.849 -6.814 1.00 0.00 N ATOM 377 CA CYS A 27 69.367 7.586 -7.462 1.00 0.00 C ATOM 378 C CYS A 27 69.123 6.499 -6.419 1.00 0.00 C ATOM 379 O CYS A 27 67.979 6.152 -6.126 1.00 0.00 O ATOM 380 CB CYS A 27 70.493 7.150 -8.400 1.00 0.00 C ATOM 381 SG CYS A 27 69.973 5.694 -9.341 1.00 0.00 S ATOM 0 H CYS A 27 70.462 9.373 -7.282 1.00 0.00 H new ATOM 0 HA CYS A 27 68.452 7.736 -8.035 1.00 0.00 H new ATOM 0 HB2 CYS A 27 70.748 7.963 -9.080 1.00 0.00 H new ATOM 0 HB3 CYS A 27 71.391 6.922 -7.825 1.00 0.00 H new ATOM 386 N THR A 28 70.206 5.974 -5.851 1.00 0.00 N ATOM 387 CA THR A 28 70.097 4.934 -4.828 1.00 0.00 C ATOM 388 C THR A 28 71.266 5.024 -3.851 1.00 0.00 C ATOM 389 O THR A 28 72.298 5.618 -4.160 1.00 0.00 O ATOM 390 CB THR A 28 70.084 3.558 -5.485 1.00 0.00 C ATOM 391 OG1 THR A 28 69.159 3.556 -6.563 1.00 0.00 O ATOM 392 CG2 THR A 28 69.679 2.497 -4.458 1.00 0.00 C ATOM 0 H THR A 28 71.162 6.248 -6.078 1.00 0.00 H new ATOM 0 HA THR A 28 69.167 5.082 -4.280 1.00 0.00 H new ATOM 0 HB THR A 28 71.081 3.329 -5.862 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.152 2.672 -6.986 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.671 1.516 -4.932 1.00 0.00 H new ATOM 0 HG22 THR A 28 70.393 2.496 -3.635 1.00 0.00 H new ATOM 0 HG23 THR A 28 68.684 2.723 -4.075 1.00 0.00 H new ATOM 400 N LYS A 29 71.097 4.430 -2.669 1.00 0.00 N ATOM 401 CA LYS A 29 72.142 4.450 -1.657 1.00 0.00 C ATOM 402 C LYS A 29 72.093 3.166 -0.838 1.00 0.00 C ATOM 403 O LYS A 29 71.397 3.093 0.175 1.00 0.00 O ATOM 404 CB LYS A 29 71.965 5.664 -0.719 1.00 0.00 C ATOM 405 CG LYS A 29 72.695 6.890 -1.279 1.00 0.00 C ATOM 406 CD LYS A 29 72.364 8.117 -0.420 1.00 0.00 C ATOM 407 CE LYS A 29 72.799 7.880 1.035 1.00 0.00 C ATOM 408 NZ LYS A 29 72.990 9.192 1.705 1.00 0.00 N1+ ATOM 0 H LYS A 29 70.250 3.933 -2.394 1.00 0.00 H new ATOM 0 HA LYS A 29 73.107 4.528 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 29 70.905 5.888 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 29 72.352 5.425 0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 29 73.771 6.715 -1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 29 72.396 7.064 -2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 29 72.869 8.996 -0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 29 71.294 8.319 -0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 29 72.046 7.295 1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 29 73.725 7.306 1.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 73.519 9.056 2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 73.522 9.828 1.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 72.062 9.612 1.917 1.00 0.00 H new ATOM 422 N THR A 30 72.844 2.175 -1.274 1.00 0.00 N ATOM 423 CA THR A 30 72.899 0.897 -0.561 1.00 0.00 C ATOM 424 C THR A 30 74.341 0.481 -0.363 1.00 0.00 C ATOM 425 O THR A 30 75.212 0.859 -1.144 1.00 0.00 O ATOM 426 CB THR A 30 72.150 -0.167 -1.352 1.00 0.00 C ATOM 427 OG1 THR A 30 72.642 -0.193 -2.681 1.00 0.00 O ATOM 428 CG2 THR A 30 70.654 0.153 -1.380 1.00 0.00 C ATOM 0 H THR A 30 73.424 2.220 -2.112 1.00 0.00 H new ATOM 0 HA THR A 30 72.427 1.009 0.415 1.00 0.00 H new ATOM 0 HB THR A 30 72.301 -1.136 -0.876 1.00 0.00 H new ATOM 0 HG1 THR A 30 72.141 -0.855 -3.202 1.00 0.00 H new ATOM 0 HG21 THR A 30 70.128 -0.614 -1.948 1.00 0.00 H new ATOM 0 HG22 THR A 30 70.268 0.178 -0.361 1.00 0.00 H new ATOM 0 HG23 THR A 30 70.498 1.124 -1.851 1.00 0.00 H new ATOM 436 N CYS A 31 74.593 -0.285 0.684 1.00 0.00 N ATOM 437 CA CYS A 31 75.947 -0.717 0.980 1.00 0.00 C ATOM 438 C CYS A 31 76.626 -1.326 -0.243 1.00 0.00 C ATOM 439 O CYS A 31 77.806 -1.681 -0.188 1.00 0.00 O ATOM 440 CB CYS A 31 75.916 -1.729 2.123 1.00 0.00 C ATOM 441 SG CYS A 31 75.258 -0.953 3.624 1.00 0.00 S ATOM 0 H CYS A 31 73.885 -0.618 1.338 1.00 0.00 H new ATOM 0 HA CYS A 31 76.528 0.157 1.274 1.00 0.00 H new ATOM 0 HB2 CYS A 31 75.299 -2.584 1.846 1.00 0.00 H new ATOM 0 HB3 CYS A 31 76.920 -2.108 2.311 1.00 0.00 H new ATOM 446 N GLN A 32 75.886 -1.463 -1.335 1.00 0.00 N ATOM 447 CA GLN A 32 76.420 -2.045 -2.567 1.00 0.00 C ATOM 448 C GLN A 32 76.705 -0.972 -3.620 1.00 0.00 C ATOM 449 O GLN A 32 77.806 -0.904 -4.164 1.00 0.00 O ATOM 450 CB GLN A 32 75.427 -3.072 -3.132 1.00 0.00 C ATOM 451 CG GLN A 32 74.015 -2.469 -3.159 1.00 0.00 C ATOM 452 CD GLN A 32 72.987 -3.534 -3.506 1.00 0.00 C ATOM 453 OE1 GLN A 32 73.238 -4.396 -4.347 1.00 0.00 O ATOM 454 NE2 GLN A 32 71.832 -3.518 -2.902 1.00 0.00 N ATOM 0 H GLN A 32 74.908 -1.178 -1.396 1.00 0.00 H new ATOM 0 HA GLN A 32 77.362 -2.536 -2.323 1.00 0.00 H new ATOM 0 HB2 GLN A 32 75.726 -3.366 -4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 32 75.436 -3.974 -2.521 1.00 0.00 H new ATOM 0 HG2 GLN A 32 73.781 -2.032 -2.188 1.00 0.00 H new ATOM 0 HG3 GLN A 32 73.972 -1.662 -3.890 1.00 0.00 H new ATOM 0 HE21 GLN A 32 71.631 -2.800 -2.206 1.00 0.00 H new ATOM 0 HE22 GLN A 32 71.130 -4.223 -3.126 1.00 0.00 H new ATOM 463 N ASN A 33 75.689 -0.166 -3.931 1.00 0.00 N ATOM 464 CA ASN A 33 75.814 0.872 -4.951 1.00 0.00 C ATOM 465 C ASN A 33 76.209 2.205 -4.348 1.00 0.00 C ATOM 466 O ASN A 33 76.486 3.157 -5.072 1.00 0.00 O ATOM 467 CB ASN A 33 74.485 1.003 -5.697 1.00 0.00 C ATOM 468 CG ASN A 33 73.362 1.272 -4.708 1.00 0.00 C ATOM 469 OD1 ASN A 33 73.558 1.979 -3.721 1.00 0.00 O ATOM 470 ND2 ASN A 33 72.191 0.737 -4.912 1.00 0.00 N ATOM 0 H ASN A 33 74.770 -0.213 -3.490 1.00 0.00 H new ATOM 0 HA ASN A 33 76.604 0.582 -5.644 1.00 0.00 H new ATOM 0 HB2 ASN A 33 74.544 1.814 -6.423 1.00 0.00 H new ATOM 0 HB3 ASN A 33 74.279 0.089 -6.255 1.00 0.00 H new ATOM 0 HD21 ASN A 33 71.432 0.904 -4.251 1.00 0.00 H new ATOM 0 HD22 ASN A 33 72.034 0.151 -5.732 1.00 0.00 H new ATOM 477 N TYR A 34 76.240 2.288 -3.023 1.00 0.00 N ATOM 478 CA TYR A 34 76.607 3.534 -2.364 1.00 0.00 C ATOM 479 C TYR A 34 77.829 4.154 -3.046 1.00 0.00 C ATOM 480 O TYR A 34 77.841 5.348 -3.344 1.00 0.00 O ATOM 481 CB TYR A 34 76.925 3.261 -0.893 1.00 0.00 C ATOM 482 CG TYR A 34 77.344 4.542 -0.231 1.00 0.00 C ATOM 483 CD1 TYR A 34 76.379 5.369 0.353 1.00 0.00 C ATOM 484 CD2 TYR A 34 78.694 4.907 -0.198 1.00 0.00 C ATOM 485 CE1 TYR A 34 76.762 6.562 0.973 1.00 0.00 C ATOM 486 CE2 TYR A 34 79.079 6.100 0.421 1.00 0.00 C ATOM 487 CZ TYR A 34 78.113 6.928 1.007 1.00 0.00 C ATOM 488 OH TYR A 34 78.492 8.103 1.620 1.00 0.00 O ATOM 0 H TYR A 34 76.019 1.518 -2.392 1.00 0.00 H new ATOM 0 HA TYR A 34 75.772 4.231 -2.435 1.00 0.00 H new ATOM 0 HB2 TYR A 34 76.051 2.847 -0.391 1.00 0.00 H new ATOM 0 HB3 TYR A 34 77.720 2.519 -0.812 1.00 0.00 H new ATOM 0 HD1 TYR A 34 75.337 5.086 0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 34 79.438 4.268 -0.650 1.00 0.00 H new ATOM 0 HE1 TYR A 34 76.017 7.200 1.425 1.00 0.00 H new ATOM 0 HE2 TYR A 34 80.121 6.383 0.447 1.00 0.00 H new ATOM 0 HH TYR A 34 79.464 8.207 1.556 1.00 0.00 H new ATOM 498 N ASP A 35 78.854 3.334 -3.287 1.00 0.00 N ATOM 499 CA ASP A 35 80.082 3.809 -3.935 1.00 0.00 C ATOM 500 C ASP A 35 80.116 3.406 -5.406 1.00 0.00 C ATOM 501 O ASP A 35 81.067 3.720 -6.122 1.00 0.00 O ATOM 502 CB ASP A 35 81.302 3.207 -3.231 1.00 0.00 C ATOM 503 CG ASP A 35 81.172 1.690 -3.143 1.00 0.00 C ATOM 504 OD1 ASP A 35 80.052 1.212 -3.092 1.00 0.00 O ATOM 505 OD2 ASP A 35 82.199 1.029 -3.123 1.00 0.00 O1- ATOM 0 H ASP A 35 78.860 2.343 -3.045 1.00 0.00 H new ATOM 0 HA ASP A 35 80.102 4.897 -3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 35 82.209 3.469 -3.775 1.00 0.00 H new ATOM 0 HB3 ASP A 35 81.397 3.629 -2.230 1.00 0.00 H new ATOM 510 N LEU A 36 79.074 2.703 -5.850 1.00 0.00 N ATOM 511 CA LEU A 36 78.989 2.239 -7.243 1.00 0.00 C ATOM 512 C LEU A 36 77.785 2.860 -7.933 1.00 0.00 C ATOM 513 O LEU A 36 76.986 3.555 -7.306 1.00 0.00 O ATOM 514 CB LEU A 36 78.898 0.698 -7.316 1.00 0.00 C ATOM 515 CG LEU A 36 79.702 0.065 -6.173 1.00 0.00 C ATOM 516 CD1 LEU A 36 79.453 -1.447 -6.142 1.00 0.00 C ATOM 517 CD2 LEU A 36 81.196 0.334 -6.396 1.00 0.00 C ATOM 0 H LEU A 36 78.277 2.441 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 36 79.899 2.552 -7.755 1.00 0.00 H new ATOM 0 HB2 LEU A 36 77.856 0.385 -7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 36 79.280 0.349 -8.276 1.00 0.00 H new ATOM 0 HG LEU A 36 79.389 0.500 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 36 80.026 -1.893 -5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 36 78.391 -1.638 -5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 36 79.765 -1.887 -7.089 1.00 0.00 H new ATOM 0 HD21 LEU A 36 81.771 -0.114 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 36 81.506 -0.102 -7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 36 81.373 1.409 -6.415 1.00 0.00 H new ATOM 529 N GLU A 37 77.654 2.611 -9.224 1.00 0.00 N ATOM 530 CA GLU A 37 76.534 3.151 -9.978 1.00 0.00 C ATOM 531 C GLU A 37 75.266 2.345 -9.714 1.00 0.00 C ATOM 532 O GLU A 37 75.313 1.123 -9.574 1.00 0.00 O ATOM 533 CB GLU A 37 76.861 3.135 -11.472 1.00 0.00 C ATOM 534 CG GLU A 37 77.105 1.692 -11.924 1.00 0.00 C ATOM 535 CD GLU A 37 77.554 1.668 -13.381 1.00 0.00 C ATOM 536 OE1 GLU A 37 78.332 2.531 -13.754 1.00 0.00 O ATOM 537 OE2 GLU A 37 77.115 0.787 -14.102 1.00 0.00 O1- ATOM 0 H GLU A 37 78.303 2.043 -9.769 1.00 0.00 H new ATOM 0 HA GLU A 37 76.362 4.178 -9.656 1.00 0.00 H new ATOM 0 HB2 GLU A 37 76.040 3.572 -12.040 1.00 0.00 H new ATOM 0 HB3 GLU A 37 77.744 3.744 -11.669 1.00 0.00 H new ATOM 0 HG2 GLU A 37 77.864 1.229 -11.294 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.193 1.107 -11.807 1.00 0.00 H new ATOM 544 N CYS A 38 74.135 3.042 -9.647 1.00 0.00 N ATOM 545 CA CYS A 38 72.852 2.390 -9.398 1.00 0.00 C ATOM 546 C CYS A 38 72.274 1.832 -10.692 1.00 0.00 C ATOM 547 O CYS A 38 72.719 2.180 -11.786 1.00 0.00 O ATOM 548 CB CYS A 38 71.867 3.394 -8.795 1.00 0.00 C ATOM 549 SG CYS A 38 71.709 4.821 -9.897 1.00 0.00 S ATOM 0 H CYS A 38 74.080 4.054 -9.761 1.00 0.00 H new ATOM 0 HA CYS A 38 73.013 1.569 -8.700 1.00 0.00 H new ATOM 0 HB2 CYS A 38 70.895 2.923 -8.650 1.00 0.00 H new ATOM 0 HB3 CYS A 38 72.215 3.716 -7.813 1.00 0.00 H new ATOM 554 N MET A 39 71.278 0.963 -10.559 1.00 0.00 N ATOM 555 CA MET A 39 70.640 0.361 -11.722 1.00 0.00 C ATOM 556 C MET A 39 70.023 1.440 -12.605 1.00 0.00 C ATOM 557 O MET A 39 69.879 2.587 -12.186 1.00 0.00 O ATOM 558 CB MET A 39 69.552 -0.616 -11.272 1.00 0.00 C ATOM 559 CG MET A 39 70.202 -1.817 -10.582 1.00 0.00 C ATOM 560 SD MET A 39 68.914 -2.931 -9.962 1.00 0.00 S ATOM 561 CE MET A 39 68.264 -3.471 -11.564 1.00 0.00 C ATOM 0 H MET A 39 70.897 0.661 -9.662 1.00 0.00 H new ATOM 0 HA MET A 39 71.396 -0.177 -12.294 1.00 0.00 H new ATOM 0 HB2 MET A 39 68.862 -0.120 -10.589 1.00 0.00 H new ATOM 0 HB3 MET A 39 68.968 -0.948 -12.130 1.00 0.00 H new ATOM 0 HG2 MET A 39 70.848 -2.346 -11.282 1.00 0.00 H new ATOM 0 HG3 MET A 39 70.832 -1.480 -9.759 1.00 0.00 H new ATOM 0 HE1 MET A 39 67.810 -4.456 -11.459 1.00 0.00 H new ATOM 0 HE2 MET A 39 67.513 -2.761 -11.910 1.00 0.00 H new ATOM 0 HE3 MET A 39 69.077 -3.522 -12.288 1.00 0.00 H new ATOM 571 N SER A 40 69.666 1.063 -13.828 1.00 0.00 N ATOM 572 CA SER A 40 69.066 2.008 -14.763 1.00 0.00 C ATOM 573 C SER A 40 67.672 2.421 -14.297 1.00 0.00 C ATOM 574 O SER A 40 66.680 2.179 -14.984 1.00 0.00 O ATOM 575 CB SER A 40 68.972 1.377 -16.152 1.00 0.00 C ATOM 576 OG SER A 40 70.223 0.794 -16.488 1.00 0.00 O ATOM 0 H SER A 40 69.780 0.117 -14.193 1.00 0.00 H new ATOM 0 HA SER A 40 69.698 2.895 -14.805 1.00 0.00 H new ATOM 0 HB2 SER A 40 68.189 0.619 -16.168 1.00 0.00 H new ATOM 0 HB3 SER A 40 68.700 2.132 -16.889 1.00 0.00 H new ATOM 0 HG SER A 40 70.166 0.387 -17.378 1.00 0.00 H new ATOM 582 N MET A 41 67.605 3.043 -13.125 1.00 0.00 N ATOM 583 CA MET A 41 66.330 3.488 -12.577 1.00 0.00 C ATOM 584 C MET A 41 65.701 4.550 -13.471 1.00 0.00 C ATOM 585 O MET A 41 64.495 4.533 -13.714 1.00 0.00 O ATOM 586 CB MET A 41 66.542 4.059 -11.172 1.00 0.00 C ATOM 587 CG MET A 41 67.085 2.966 -10.245 1.00 0.00 C ATOM 588 SD MET A 41 65.863 1.637 -10.062 1.00 0.00 S ATOM 589 CE MET A 41 64.776 2.459 -8.869 1.00 0.00 C ATOM 0 H MET A 41 68.414 3.249 -12.539 1.00 0.00 H new ATOM 0 HA MET A 41 65.657 2.632 -12.526 1.00 0.00 H new ATOM 0 HB2 MET A 41 67.240 4.896 -11.211 1.00 0.00 H new ATOM 0 HB3 MET A 41 65.601 4.446 -10.781 1.00 0.00 H new ATOM 0 HG2 MET A 41 68.013 2.563 -10.650 1.00 0.00 H new ATOM 0 HG3 MET A 41 67.321 3.390 -9.269 1.00 0.00 H new ATOM 0 HE1 MET A 41 64.768 1.896 -7.936 1.00 0.00 H new ATOM 0 HE2 MET A 41 65.141 3.469 -8.680 1.00 0.00 H new ATOM 0 HE3 MET A 41 63.764 2.508 -9.272 1.00 0.00 H new ATOM 599 N GLY A 42 66.527 5.467 -13.961 1.00 0.00 N ATOM 600 CA GLY A 42 66.039 6.529 -14.832 1.00 0.00 C ATOM 601 C GLY A 42 65.322 7.606 -14.030 1.00 0.00 C ATOM 602 O GLY A 42 64.513 8.359 -14.571 1.00 0.00 O ATOM 0 H GLY A 42 67.529 5.497 -13.772 1.00 0.00 H new ATOM 0 HA2 GLY A 42 66.874 6.971 -15.376 1.00 0.00 H new ATOM 0 HA3 GLY A 42 65.360 6.111 -15.575 1.00 0.00 H new ATOM 606 N CYS A 43 65.618 7.670 -12.737 1.00 0.00 N ATOM 607 CA CYS A 43 64.989 8.655 -11.869 1.00 0.00 C ATOM 608 C CYS A 43 63.492 8.386 -11.750 1.00 0.00 C ATOM 609 O CYS A 43 62.708 8.810 -12.599 1.00 0.00 O ATOM 610 CB CYS A 43 65.216 10.071 -12.415 1.00 0.00 C ATOM 611 SG CYS A 43 64.949 11.264 -11.080 1.00 0.00 S ATOM 0 H CYS A 43 66.285 7.056 -12.270 1.00 0.00 H new ATOM 0 HA CYS A 43 65.443 8.576 -10.881 1.00 0.00 H new ATOM 0 HB2 CYS A 43 66.228 10.166 -12.808 1.00 0.00 H new ATOM 0 HB3 CYS A 43 64.533 10.270 -13.241 1.00 0.00 H new ATOM 616 N VAL A 44 63.099 7.686 -10.686 1.00 0.00 N ATOM 617 CA VAL A 44 61.687 7.371 -10.457 1.00 0.00 C ATOM 618 C VAL A 44 61.316 7.613 -8.999 1.00 0.00 C ATOM 619 O VAL A 44 62.176 7.607 -8.119 1.00 0.00 O ATOM 620 CB VAL A 44 61.416 5.912 -10.821 1.00 0.00 C ATOM 621 CG1 VAL A 44 61.685 5.708 -12.313 1.00 0.00 C ATOM 622 CG2 VAL A 44 62.341 5.002 -10.010 1.00 0.00 C ATOM 0 H VAL A 44 63.733 7.328 -9.972 1.00 0.00 H new ATOM 0 HA VAL A 44 61.079 8.021 -11.086 1.00 0.00 H new ATOM 0 HB VAL A 44 60.378 5.666 -10.597 1.00 0.00 H new ATOM 0 HG11 VAL A 44 61.493 4.668 -12.578 1.00 0.00 H new ATOM 0 HG12 VAL A 44 61.029 6.358 -12.893 1.00 0.00 H new ATOM 0 HG13 VAL A 44 62.724 5.953 -12.532 1.00 0.00 H new ATOM 0 HG21 VAL A 44 62.147 3.961 -10.270 1.00 0.00 H new ATOM 0 HG22 VAL A 44 63.379 5.245 -10.235 1.00 0.00 H new ATOM 0 HG23 VAL A 44 62.156 5.151 -8.946 1.00 0.00 H new ATOM 632 N SER A 45 60.028 7.831 -8.754 1.00 0.00 N ATOM 633 CA SER A 45 59.556 8.079 -7.400 1.00 0.00 C ATOM 634 C SER A 45 59.847 6.879 -6.509 1.00 0.00 C ATOM 635 O SER A 45 59.569 5.738 -6.879 1.00 0.00 O ATOM 636 CB SER A 45 58.056 8.359 -7.411 1.00 0.00 C ATOM 637 OG SER A 45 57.611 8.588 -6.079 1.00 0.00 O ATOM 0 H SER A 45 59.300 7.841 -9.469 1.00 0.00 H new ATOM 0 HA SER A 45 60.081 8.949 -7.004 1.00 0.00 H new ATOM 0 HB2 SER A 45 57.841 9.228 -8.033 1.00 0.00 H new ATOM 0 HB3 SER A 45 57.520 7.515 -7.846 1.00 0.00 H new ATOM 0 HG SER A 45 56.691 8.925 -6.095 1.00 0.00 H new ATOM 643 N GLY A 46 60.408 7.144 -5.333 1.00 0.00 N ATOM 644 CA GLY A 46 60.732 6.076 -4.401 1.00 0.00 C ATOM 645 C GLY A 46 61.234 6.639 -3.075 1.00 0.00 C ATOM 646 O GLY A 46 61.375 7.844 -2.906 1.00 0.00 O ATOM 0 H GLY A 46 60.645 8.081 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 46 59.850 5.460 -4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 46 61.493 5.428 -4.836 1.00 0.00 H new ATOM 650 N CYS A 47 61.471 5.748 -2.122 1.00 0.00 N ATOM 651 CA CYS A 47 61.943 6.146 -0.792 1.00 0.00 C ATOM 652 C CYS A 47 63.318 5.563 -0.519 1.00 0.00 C ATOM 653 O CYS A 47 63.634 4.467 -0.968 1.00 0.00 O ATOM 654 CB CYS A 47 60.970 5.680 0.291 1.00 0.00 C ATOM 655 SG CYS A 47 60.503 3.952 0.011 1.00 0.00 S ATOM 0 H CYS A 47 61.346 4.743 -2.240 1.00 0.00 H new ATOM 0 HA CYS A 47 62.003 7.234 -0.771 1.00 0.00 H new ATOM 0 HB2 CYS A 47 61.430 5.785 1.273 1.00 0.00 H new ATOM 0 HB3 CYS A 47 60.081 6.310 0.287 1.00 0.00 H new ATOM 660 N LEU A 48 64.136 6.308 0.225 1.00 0.00 N ATOM 661 CA LEU A 48 65.493 5.857 0.560 1.00 0.00 C ATOM 662 C LEU A 48 65.794 6.141 2.026 1.00 0.00 C ATOM 663 O LEU A 48 64.917 6.560 2.778 1.00 0.00 O ATOM 664 CB LEU A 48 66.527 6.567 -0.317 1.00 0.00 C ATOM 665 CG LEU A 48 66.301 6.192 -1.787 1.00 0.00 C ATOM 666 CD1 LEU A 48 67.244 7.020 -2.668 1.00 0.00 C ATOM 667 CD2 LEU A 48 66.588 4.688 -2.015 1.00 0.00 C ATOM 0 H LEU A 48 63.888 7.221 0.606 1.00 0.00 H new ATOM 0 HA LEU A 48 65.550 4.784 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 48 66.446 7.647 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.534 6.285 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 48 65.262 6.397 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 48 67.088 6.758 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 48 67.038 8.081 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 48 68.277 6.811 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 48 66.422 4.441 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.623 4.471 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 48 65.921 4.092 -1.392 1.00 0.00 H new ATOM 679 N CYS A 49 67.041 5.904 2.424 1.00 0.00 N ATOM 680 CA CYS A 49 67.458 6.132 3.806 1.00 0.00 C ATOM 681 C CYS A 49 68.116 7.511 3.933 1.00 0.00 C ATOM 682 O CYS A 49 68.704 8.009 2.974 1.00 0.00 O ATOM 683 CB CYS A 49 68.453 5.039 4.223 1.00 0.00 C ATOM 684 SG CYS A 49 67.619 3.430 4.274 1.00 0.00 S ATOM 0 H CYS A 49 67.779 5.555 1.812 1.00 0.00 H new ATOM 0 HA CYS A 49 66.585 6.097 4.458 1.00 0.00 H new ATOM 0 HB2 CYS A 49 69.285 5.005 3.519 1.00 0.00 H new ATOM 0 HB3 CYS A 49 68.873 5.272 5.202 1.00 0.00 H new ATOM 689 N PRO A 50 68.021 8.133 5.087 1.00 0.00 N ATOM 690 CA PRO A 50 68.619 9.474 5.334 1.00 0.00 C ATOM 691 C PRO A 50 69.938 9.668 4.567 1.00 0.00 C ATOM 692 O PRO A 50 70.589 8.697 4.179 1.00 0.00 O ATOM 693 CB PRO A 50 68.843 9.475 6.852 1.00 0.00 C ATOM 694 CG PRO A 50 67.779 8.573 7.417 1.00 0.00 C ATOM 695 CD PRO A 50 67.324 7.638 6.285 1.00 0.00 C ATOM 0 HA PRO A 50 67.984 10.291 4.991 1.00 0.00 H new ATOM 0 HB2 PRO A 50 69.839 9.111 7.102 1.00 0.00 H new ATOM 0 HB3 PRO A 50 68.761 10.482 7.260 1.00 0.00 H new ATOM 0 HG2 PRO A 50 68.169 7.998 8.257 1.00 0.00 H new ATOM 0 HG3 PRO A 50 66.940 9.158 7.793 1.00 0.00 H new ATOM 0 HD2 PRO A 50 67.588 6.602 6.497 1.00 0.00 H new ATOM 0 HD3 PRO A 50 66.242 7.671 6.155 1.00 0.00 H new ATOM 703 N PRO A 51 70.338 10.897 4.345 1.00 0.00 N ATOM 704 CA PRO A 51 71.600 11.218 3.606 1.00 0.00 C ATOM 705 C PRO A 51 72.832 10.600 4.271 1.00 0.00 C ATOM 706 O PRO A 51 73.833 10.326 3.613 1.00 0.00 O ATOM 707 CB PRO A 51 71.654 12.762 3.628 1.00 0.00 C ATOM 708 CG PRO A 51 70.735 13.172 4.734 1.00 0.00 C ATOM 709 CD PRO A 51 69.640 12.117 4.771 1.00 0.00 C ATOM 0 HA PRO A 51 71.603 10.809 2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 51 72.669 13.118 3.807 1.00 0.00 H new ATOM 0 HB3 PRO A 51 71.333 13.181 2.674 1.00 0.00 H new ATOM 0 HG2 PRO A 51 71.265 13.220 5.686 1.00 0.00 H new ATOM 0 HG3 PRO A 51 70.319 14.162 4.550 1.00 0.00 H new ATOM 0 HD2 PRO A 51 69.216 12.011 5.770 1.00 0.00 H new ATOM 0 HD3 PRO A 51 68.818 12.366 4.100 1.00 0.00 H new ATOM 717 N GLY A 52 72.749 10.381 5.580 1.00 0.00 N ATOM 718 CA GLY A 52 73.863 9.786 6.326 1.00 0.00 C ATOM 719 C GLY A 52 73.664 8.275 6.489 1.00 0.00 C ATOM 720 O GLY A 52 74.498 7.585 7.077 1.00 0.00 O ATOM 0 H GLY A 52 71.930 10.603 6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 52 74.800 9.980 5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 52 73.941 10.255 7.307 1.00 0.00 H new ATOM 724 N MET A 53 72.543 7.791 5.969 1.00 0.00 N ATOM 725 CA MET A 53 72.213 6.359 6.050 1.00 0.00 C ATOM 726 C MET A 53 71.992 5.767 4.670 1.00 0.00 C ATOM 727 O MET A 53 71.819 6.491 3.699 1.00 0.00 O ATOM 728 CB MET A 53 70.984 6.159 6.925 1.00 0.00 C ATOM 729 CG MET A 53 71.281 6.673 8.342 1.00 0.00 C ATOM 730 SD MET A 53 70.149 5.899 9.518 1.00 0.00 S ATOM 731 CE MET A 53 71.173 4.447 9.867 1.00 0.00 C ATOM 0 H MET A 53 71.846 8.359 5.488 1.00 0.00 H new ATOM 0 HA MET A 53 73.057 5.836 6.501 1.00 0.00 H new ATOM 0 HB2 MET A 53 70.132 6.693 6.503 1.00 0.00 H new ATOM 0 HB3 MET A 53 70.714 5.103 6.958 1.00 0.00 H new ATOM 0 HG2 MET A 53 72.313 6.447 8.613 1.00 0.00 H new ATOM 0 HG3 MET A 53 71.172 7.757 8.377 1.00 0.00 H new ATOM 0 HE1 MET A 53 70.656 3.798 10.574 1.00 0.00 H new ATOM 0 HE2 MET A 53 71.358 3.901 8.942 1.00 0.00 H new ATOM 0 HE3 MET A 53 72.123 4.766 10.296 1.00 0.00 H new ATOM 741 N VAL A 54 72.009 4.436 4.595 1.00 0.00 N ATOM 742 CA VAL A 54 71.821 3.739 3.318 1.00 0.00 C ATOM 743 C VAL A 54 70.893 2.551 3.504 1.00 0.00 C ATOM 744 O VAL A 54 70.866 1.936 4.565 1.00 0.00 O ATOM 745 CB VAL A 54 73.179 3.252 2.804 1.00 0.00 C ATOM 746 CG1 VAL A 54 74.144 4.430 2.778 1.00 0.00 C ATOM 747 CG2 VAL A 54 73.740 2.155 3.705 1.00 0.00 C ATOM 0 H VAL A 54 72.150 3.821 5.396 1.00 0.00 H new ATOM 0 HA VAL A 54 71.378 4.425 2.596 1.00 0.00 H new ATOM 0 HB VAL A 54 73.053 2.841 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 54 75.116 4.096 2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 54 73.755 5.205 2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 54 74.253 4.833 3.785 1.00 0.00 H new ATOM 0 HG21 VAL A 54 74.705 1.825 3.319 1.00 0.00 H new ATOM 0 HG22 VAL A 54 73.867 2.543 4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 54 73.050 1.312 3.724 1.00 0.00 H new ATOM 757 N ARG A 55 70.138 2.228 2.462 1.00 0.00 N ATOM 758 CA ARG A 55 69.214 1.106 2.528 1.00 0.00 C ATOM 759 C ARG A 55 69.962 -0.215 2.413 1.00 0.00 C ATOM 760 O ARG A 55 70.678 -0.458 1.444 1.00 0.00 O ATOM 761 CB ARG A 55 68.179 1.221 1.405 1.00 0.00 C ATOM 762 CG ARG A 55 67.155 0.090 1.512 1.00 0.00 C ATOM 763 CD ARG A 55 66.138 0.221 0.378 1.00 0.00 C ATOM 764 NE ARG A 55 65.073 -0.762 0.543 1.00 0.00 N ATOM 765 CZ ARG A 55 65.202 -2.004 0.081 1.00 0.00 C ATOM 766 NH1 ARG A 55 66.297 -2.361 -0.532 1.00 0.00 N ATOM 767 NH2 ARG A 55 64.234 -2.862 0.244 1.00 0.00 N1+ ATOM 0 H ARG A 55 70.147 2.722 1.570 1.00 0.00 H new ATOM 0 HA ARG A 55 68.706 1.130 3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 55 67.674 2.185 1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 55 68.677 1.180 0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 55 67.656 -0.876 1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 55 66.649 0.132 2.477 1.00 0.00 H new ATOM 0 HD2 ARG A 55 65.717 1.227 0.371 1.00 0.00 H new ATOM 0 HD3 ARG A 55 66.632 0.075 -0.583 1.00 0.00 H new ATOM 0 HE ARG A 55 64.213 -0.493 1.021 1.00 0.00 H new ATOM 0 HH11 ARG A 55 67.054 -1.689 -0.657 1.00 0.00 H new ATOM 0 HH12 ARG A 55 66.396 -3.312 -0.886 1.00 0.00 H new ATOM 0 HH21 ARG A 55 63.379 -2.581 0.725 1.00 0.00 H new ATOM 0 HH22 ARG A 55 64.331 -3.814 -0.109 1.00 0.00 H new ATOM 781 N HIS A 56 69.784 -1.065 3.418 1.00 0.00 N ATOM 782 CA HIS A 56 70.433 -2.374 3.449 1.00 0.00 C ATOM 783 C HIS A 56 69.458 -3.428 3.988 1.00 0.00 C ATOM 784 O HIS A 56 68.870 -3.263 5.044 1.00 0.00 O ATOM 785 CB HIS A 56 71.705 -2.287 4.319 1.00 0.00 C ATOM 786 CG HIS A 56 72.069 -3.645 4.863 1.00 0.00 C ATOM 787 ND1 HIS A 56 72.185 -4.101 6.148 1.00 0.00 N flip ATOM 788 CD2 HIS A 56 72.307 -4.737 4.049 1.00 0.00 C flip ATOM 789 CE1 HIS A 56 72.481 -5.456 6.141 1.00 0.00 C flip ATOM 790 NE2 HIS A 56 72.544 -5.792 4.853 1.00 0.00 N flip ATOM 0 H HIS A 56 69.193 -0.871 4.226 1.00 0.00 H new ATOM 0 HA HIS A 56 70.721 -2.673 2.441 1.00 0.00 H new ATOM 0 HB2 HIS A 56 72.531 -1.893 3.727 1.00 0.00 H new ATOM 0 HB3 HIS A 56 71.542 -1.591 5.142 1.00 0.00 H new ATOM 0 HD2 HIS A 56 72.304 -4.743 2.969 1.00 0.00 H new ATOM 0 HE1 HIS A 56 72.629 -6.100 6.995 1.00 0.00 H new ATOM 0 HE2 HIS A 56 72.747 -6.733 4.517 1.00 0.00 H new ATOM 798 N GLU A 57 69.300 -4.510 3.249 1.00 0.00 N ATOM 799 CA GLU A 57 68.401 -5.583 3.666 1.00 0.00 C ATOM 800 C GLU A 57 67.055 -5.009 4.105 1.00 0.00 C ATOM 801 O GLU A 57 66.424 -5.527 5.021 1.00 0.00 O ATOM 802 CB GLU A 57 69.026 -6.368 4.825 1.00 0.00 C ATOM 803 CG GLU A 57 68.357 -7.742 4.962 1.00 0.00 C ATOM 804 CD GLU A 57 69.034 -8.546 6.067 1.00 0.00 C ATOM 805 OE1 GLU A 57 70.119 -8.161 6.474 1.00 0.00 O ATOM 806 OE2 GLU A 57 68.460 -9.536 6.487 1.00 0.00 O1- ATOM 0 H GLU A 57 69.776 -4.674 2.362 1.00 0.00 H new ATOM 0 HA GLU A 57 68.242 -6.251 2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 57 70.095 -6.492 4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 57 68.915 -5.808 5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 57 67.298 -7.619 5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 57 68.421 -8.282 4.017 1.00 0.00 H new ATOM 813 N ASN A 58 66.623 -3.942 3.441 1.00 0.00 N ATOM 814 CA ASN A 58 65.343 -3.310 3.760 1.00 0.00 C ATOM 815 C ASN A 58 65.428 -2.470 5.036 1.00 0.00 C ATOM 816 O ASN A 58 64.407 -2.012 5.549 1.00 0.00 O ATOM 817 CB ASN A 58 64.256 -4.382 3.917 1.00 0.00 C ATOM 818 CG ASN A 58 64.494 -5.499 2.906 1.00 0.00 C ATOM 819 OD1 ASN A 58 64.595 -5.236 1.707 1.00 0.00 O ATOM 820 ND2 ASN A 58 64.604 -6.733 3.318 1.00 0.00 N ATOM 0 H ASN A 58 67.137 -3.496 2.681 1.00 0.00 H new ATOM 0 HA ASN A 58 65.088 -2.643 2.936 1.00 0.00 H new ATOM 0 HB2 ASN A 58 64.271 -4.784 4.930 1.00 0.00 H new ATOM 0 HB3 ASN A 58 63.271 -3.942 3.763 1.00 0.00 H new ATOM 0 HD21 ASN A 58 64.774 -7.482 2.646 1.00 0.00 H new ATOM 0 HD22 ASN A 58 64.520 -6.948 4.311 1.00 0.00 H new ATOM 827 N ARG A 59 66.642 -2.271 5.551 1.00 0.00 N ATOM 828 CA ARG A 59 66.849 -1.490 6.775 1.00 0.00 C ATOM 829 C ARG A 59 67.885 -0.399 6.521 1.00 0.00 C ATOM 830 O ARG A 59 68.768 -0.561 5.683 1.00 0.00 O ATOM 831 CB ARG A 59 67.321 -2.433 7.913 1.00 0.00 C ATOM 832 CG ARG A 59 68.870 -2.542 7.987 1.00 0.00 C ATOM 833 CD ARG A 59 69.278 -3.925 8.479 1.00 0.00 C ATOM 834 NE ARG A 59 68.725 -4.154 9.799 1.00 0.00 N ATOM 835 CZ ARG A 59 68.833 -5.332 10.381 1.00 0.00 C ATOM 836 NH1 ARG A 59 69.440 -6.302 9.759 1.00 0.00 N ATOM 837 NH2 ARG A 59 68.330 -5.521 11.568 1.00 0.00 N1+ ATOM 0 H ARG A 59 67.499 -2.640 5.140 1.00 0.00 H new ATOM 0 HA ARG A 59 65.913 -1.017 7.072 1.00 0.00 H new ATOM 0 HB2 ARG A 59 66.939 -2.067 8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 59 66.896 -3.425 7.759 1.00 0.00 H new ATOM 0 HG2 ARG A 59 69.302 -2.356 7.004 1.00 0.00 H new ATOM 0 HG3 ARG A 59 69.264 -1.779 8.658 1.00 0.00 H new ATOM 0 HD2 ARG A 59 68.922 -4.688 7.787 1.00 0.00 H new ATOM 0 HD3 ARG A 59 70.365 -4.005 8.510 1.00 0.00 H new ATOM 0 HE ARG A 59 68.246 -3.395 10.284 1.00 0.00 H new ATOM 0 HH11 ARG A 59 69.828 -6.147 8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 59 69.528 -7.216 10.203 1.00 0.00 H new ATOM 0 HH21 ARG A 59 67.853 -4.757 12.047 1.00 0.00 H new ATOM 0 HH22 ARG A 59 68.414 -6.432 12.018 1.00 0.00 H new ATOM 851 N CYS A 60 67.793 0.699 7.255 1.00 0.00 N ATOM 852 CA CYS A 60 68.756 1.781 7.091 1.00 0.00 C ATOM 853 C CYS A 60 69.883 1.635 8.109 1.00 0.00 C ATOM 854 O CYS A 60 69.645 1.531 9.313 1.00 0.00 O ATOM 855 CB CYS A 60 68.085 3.140 7.280 1.00 0.00 C ATOM 856 SG CYS A 60 66.729 3.338 6.092 1.00 0.00 S ATOM 0 H CYS A 60 67.074 0.865 7.960 1.00 0.00 H new ATOM 0 HA CYS A 60 69.160 1.723 6.080 1.00 0.00 H new ATOM 0 HB2 CYS A 60 67.703 3.227 8.297 1.00 0.00 H new ATOM 0 HB3 CYS A 60 68.816 3.937 7.145 1.00 0.00 H new ATOM 861 N VAL A 61 71.116 1.640 7.609 1.00 0.00 N ATOM 862 CA VAL A 61 72.294 1.525 8.472 1.00 0.00 C ATOM 863 C VAL A 61 73.354 2.545 8.084 1.00 0.00 C ATOM 864 O VAL A 61 73.391 3.028 6.957 1.00 0.00 O ATOM 865 CB VAL A 61 72.901 0.119 8.389 1.00 0.00 C ATOM 866 CG1 VAL A 61 71.788 -0.923 8.549 1.00 0.00 C ATOM 867 CG2 VAL A 61 73.575 -0.068 7.023 1.00 0.00 C ATOM 0 H VAL A 61 71.328 1.722 6.615 1.00 0.00 H new ATOM 0 HA VAL A 61 71.966 1.716 9.494 1.00 0.00 H new ATOM 0 HB VAL A 61 73.640 -0.006 9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 61 72.216 -1.924 8.491 1.00 0.00 H new ATOM 0 HG12 VAL A 61 71.303 -0.792 9.516 1.00 0.00 H new ATOM 0 HG13 VAL A 61 71.053 -0.795 7.754 1.00 0.00 H new ATOM 0 HG21 VAL A 61 74.006 -1.067 6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 61 72.835 0.055 6.232 1.00 0.00 H new ATOM 0 HG23 VAL A 61 74.363 0.675 6.901 1.00 0.00 H new ATOM 877 N ALA A 62 74.215 2.861 9.031 1.00 0.00 N ATOM 878 CA ALA A 62 75.287 3.809 8.788 1.00 0.00 C ATOM 879 C ALA A 62 76.380 3.171 7.944 1.00 0.00 C ATOM 880 O ALA A 62 76.621 1.971 8.014 1.00 0.00 O ATOM 881 CB ALA A 62 75.868 4.288 10.104 1.00 0.00 C ATOM 0 H ALA A 62 74.194 2.476 9.975 1.00 0.00 H new ATOM 0 HA ALA A 62 74.878 4.662 8.246 1.00 0.00 H new ATOM 0 HB1 ALA A 62 76.671 4.999 9.910 1.00 0.00 H new ATOM 0 HB2 ALA A 62 75.088 4.773 10.691 1.00 0.00 H new ATOM 0 HB3 ALA A 62 76.263 3.437 10.659 1.00 0.00 H new ATOM 887 N LEU A 63 77.008 3.983 7.118 1.00 0.00 N ATOM 888 CA LEU A 63 78.047 3.476 6.232 1.00 0.00 C ATOM 889 C LEU A 63 79.039 2.604 6.992 1.00 0.00 C ATOM 890 O LEU A 63 79.351 1.498 6.570 1.00 0.00 O ATOM 891 CB LEU A 63 78.806 4.655 5.589 1.00 0.00 C ATOM 892 CG LEU A 63 78.037 5.198 4.381 1.00 0.00 C ATOM 893 CD1 LEU A 63 78.009 4.160 3.238 1.00 0.00 C ATOM 894 CD2 LEU A 63 76.615 5.550 4.826 1.00 0.00 C ATOM 0 H LEU A 63 76.824 4.983 7.038 1.00 0.00 H new ATOM 0 HA LEU A 63 77.567 2.873 5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 63 78.946 5.448 6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 63 79.799 4.329 5.278 1.00 0.00 H new ATOM 0 HG LEU A 63 78.535 6.090 4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 63 77.458 4.567 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 63 79.029 3.930 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.520 3.250 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 63 76.054 5.939 3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 63 76.122 4.656 5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 63 76.656 6.306 5.610 1.00 0.00 H new ATOM 906 N GLU A 64 79.546 3.105 8.099 1.00 0.00 N ATOM 907 CA GLU A 64 80.514 2.351 8.871 1.00 0.00 C ATOM 908 C GLU A 64 79.932 1.020 9.336 1.00 0.00 C ATOM 909 O GLU A 64 80.670 0.146 9.794 1.00 0.00 O ATOM 910 CB GLU A 64 80.961 3.180 10.072 1.00 0.00 C ATOM 911 CG GLU A 64 79.829 3.237 11.099 1.00 0.00 C ATOM 912 CD GLU A 64 80.108 4.322 12.127 1.00 0.00 C ATOM 913 OE1 GLU A 64 81.198 4.866 12.102 1.00 0.00 O ATOM 914 OE2 GLU A 64 79.227 4.594 12.925 1.00 0.00 O1- ATOM 0 H GLU A 64 79.308 4.020 8.482 1.00 0.00 H new ATOM 0 HA GLU A 64 81.373 2.134 8.236 1.00 0.00 H new ATOM 0 HB2 GLU A 64 81.852 2.740 10.520 1.00 0.00 H new ATOM 0 HB3 GLU A 64 81.229 4.187 9.753 1.00 0.00 H new ATOM 0 HG2 GLU A 64 78.882 3.436 10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 64 79.730 2.272 11.596 1.00 0.00 H new ATOM 921 N ARG A 65 78.607 0.871 9.246 1.00 0.00 N ATOM 922 CA ARG A 65 77.952 -0.364 9.687 1.00 0.00 C ATOM 923 C ARG A 65 77.645 -1.253 8.501 1.00 0.00 C ATOM 924 O ARG A 65 77.191 -2.384 8.674 1.00 0.00 O ATOM 925 CB ARG A 65 76.649 -0.014 10.392 1.00 0.00 C ATOM 926 CG ARG A 65 76.954 0.842 11.613 1.00 0.00 C ATOM 927 CD ARG A 65 75.648 1.365 12.194 1.00 0.00 C ATOM 928 NE ARG A 65 74.867 0.271 12.760 1.00 0.00 N ATOM 929 CZ ARG A 65 73.626 0.465 13.198 1.00 0.00 C ATOM 930 NH1 ARG A 65 73.082 1.651 13.127 1.00 0.00 N ATOM 931 NH2 ARG A 65 72.948 -0.531 13.700 1.00 0.00 N1+ ATOM 0 H ARG A 65 77.974 1.580 8.877 1.00 0.00 H new ATOM 0 HA ARG A 65 78.620 -0.894 10.366 1.00 0.00 H new ATOM 0 HB2 ARG A 65 75.987 0.523 9.713 1.00 0.00 H new ATOM 0 HB3 ARG A 65 76.128 -0.923 10.692 1.00 0.00 H new ATOM 0 HG2 ARG A 65 77.489 0.255 12.359 1.00 0.00 H new ATOM 0 HG3 ARG A 65 77.602 1.674 11.337 1.00 0.00 H new ATOM 0 HD2 ARG A 65 75.857 2.107 12.964 1.00 0.00 H new ATOM 0 HD3 ARG A 65 75.072 1.867 11.416 1.00 0.00 H new ATOM 0 HE ARG A 65 75.280 -0.660 12.821 1.00 0.00 H new ATOM 0 HH11 ARG A 65 73.609 2.431 12.735 1.00 0.00 H new ATOM 0 HH12 ARG A 65 72.130 1.797 13.464 1.00 0.00 H new ATOM 0 HH21 ARG A 65 73.370 -1.458 13.756 1.00 0.00 H new ATOM 0 HH22 ARG A 65 71.996 -0.382 14.036 1.00 0.00 H new ATOM 945 N CYS A 66 77.875 -0.743 7.301 1.00 0.00 N ATOM 946 CA CYS A 66 77.587 -1.529 6.102 1.00 0.00 C ATOM 947 C CYS A 66 78.322 -2.880 6.163 1.00 0.00 C ATOM 948 O CYS A 66 79.485 -2.938 6.567 1.00 0.00 O ATOM 949 CB CYS A 66 78.041 -0.773 4.837 1.00 0.00 C ATOM 950 SG CYS A 66 76.713 0.309 4.248 1.00 0.00 S ATOM 0 H CYS A 66 78.251 0.189 7.128 1.00 0.00 H new ATOM 0 HA CYS A 66 76.511 -1.696 6.058 1.00 0.00 H new ATOM 0 HB2 CYS A 66 78.931 -0.183 5.056 1.00 0.00 H new ATOM 0 HB3 CYS A 66 78.314 -1.484 4.057 1.00 0.00 H new ATOM 955 N PRO A 67 77.682 -3.960 5.761 1.00 0.00 N ATOM 956 CA PRO A 67 78.309 -5.316 5.767 1.00 0.00 C ATOM 957 C PRO A 67 79.353 -5.472 4.664 1.00 0.00 C ATOM 958 O PRO A 67 79.354 -4.729 3.683 1.00 0.00 O ATOM 959 CB PRO A 67 77.120 -6.264 5.552 1.00 0.00 C ATOM 960 CG PRO A 67 76.136 -5.460 4.770 1.00 0.00 C ATOM 961 CD PRO A 67 76.298 -4.016 5.248 1.00 0.00 C ATOM 0 HA PRO A 67 78.853 -5.517 6.690 1.00 0.00 H new ATOM 0 HB2 PRO A 67 77.420 -7.160 5.009 1.00 0.00 H new ATOM 0 HB3 PRO A 67 76.698 -6.593 6.502 1.00 0.00 H new ATOM 0 HG2 PRO A 67 76.328 -5.541 3.700 1.00 0.00 H new ATOM 0 HG3 PRO A 67 75.120 -5.815 4.939 1.00 0.00 H new ATOM 0 HD2 PRO A 67 76.145 -3.307 4.434 1.00 0.00 H new ATOM 0 HD3 PRO A 67 75.574 -3.770 6.025 1.00 0.00 H new ATOM 969 N CYS A 68 80.238 -6.452 4.835 1.00 0.00 N ATOM 970 CA CYS A 68 81.292 -6.713 3.843 1.00 0.00 C ATOM 971 C CYS A 68 80.956 -7.972 3.051 1.00 0.00 C ATOM 972 O CYS A 68 80.067 -8.735 3.421 1.00 0.00 O ATOM 973 CB CYS A 68 82.652 -6.876 4.543 1.00 0.00 C ATOM 974 SG CYS A 68 82.385 -7.346 6.263 1.00 0.00 S ATOM 0 H CYS A 68 80.251 -7.076 5.642 1.00 0.00 H new ATOM 0 HA CYS A 68 81.351 -5.867 3.158 1.00 0.00 H new ATOM 0 HB2 CYS A 68 83.247 -7.635 4.035 1.00 0.00 H new ATOM 0 HB3 CYS A 68 83.214 -5.944 4.492 1.00 0.00 H new ATOM 979 N PHE A 69 81.677 -8.178 1.950 1.00 0.00 N ATOM 980 CA PHE A 69 81.455 -9.349 1.101 1.00 0.00 C ATOM 981 C PHE A 69 82.778 -9.976 0.688 1.00 0.00 C ATOM 982 O PHE A 69 83.678 -9.294 0.203 1.00 0.00 O ATOM 983 CB PHE A 69 80.679 -8.931 -0.151 1.00 0.00 C ATOM 984 CG PHE A 69 79.395 -8.237 0.248 1.00 0.00 C ATOM 985 CD1 PHE A 69 79.381 -6.848 0.434 1.00 0.00 C ATOM 986 CD2 PHE A 69 78.219 -8.978 0.425 1.00 0.00 C ATOM 987 CE1 PHE A 69 78.192 -6.200 0.794 1.00 0.00 C ATOM 988 CE2 PHE A 69 77.029 -8.328 0.787 1.00 0.00 C ATOM 989 CZ PHE A 69 77.017 -6.940 0.970 1.00 0.00 C ATOM 0 H PHE A 69 82.416 -7.554 1.626 1.00 0.00 H new ATOM 0 HA PHE A 69 80.883 -10.084 1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 69 81.288 -8.265 -0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 69 80.455 -9.807 -0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 69 80.288 -6.277 0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 69 78.228 -10.049 0.283 1.00 0.00 H new ATOM 0 HE1 PHE A 69 78.182 -5.129 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 69 76.122 -8.899 0.924 1.00 0.00 H new ATOM 0 HZ PHE A 69 76.101 -6.440 1.247 1.00 0.00 H new ATOM 999 N HIS A 70 82.885 -11.290 0.882 1.00 0.00 N ATOM 1000 CA HIS A 70 84.099 -12.015 0.522 1.00 0.00 C ATOM 1001 C HIS A 70 83.754 -13.394 -0.037 1.00 0.00 C ATOM 1002 O HIS A 70 83.105 -14.197 0.627 1.00 0.00 O ATOM 1003 CB HIS A 70 84.998 -12.167 1.755 1.00 0.00 C ATOM 1004 CG HIS A 70 86.405 -12.446 1.323 1.00 0.00 C ATOM 1005 ND1 HIS A 70 87.241 -11.446 0.860 1.00 0.00 N ATOM 1006 CD2 HIS A 70 87.139 -13.604 1.280 1.00 0.00 C ATOM 1007 CE1 HIS A 70 88.419 -12.013 0.558 1.00 0.00 C ATOM 1008 NE2 HIS A 70 88.412 -13.328 0.794 1.00 0.00 N ATOM 0 H HIS A 70 82.149 -11.870 1.284 1.00 0.00 H new ATOM 0 HA HIS A 70 84.627 -11.449 -0.245 1.00 0.00 H new ATOM 0 HB2 HIS A 70 84.965 -11.258 2.355 1.00 0.00 H new ATOM 0 HB3 HIS A 70 84.633 -12.978 2.385 1.00 0.00 H new ATOM 0 HD1 HIS A 70 87.005 -10.458 0.765 1.00 0.00 H new ATOM 0 HD2 HIS A 70 86.783 -14.579 1.578 1.00 0.00 H new ATOM 0 HE1 HIS A 70 89.270 -11.472 0.171 1.00 0.00 H new ATOM 1016 N GLN A 71 84.200 -13.670 -1.255 1.00 0.00 N ATOM 1017 CA GLN A 71 83.940 -14.962 -1.873 1.00 0.00 C ATOM 1018 C GLN A 71 82.445 -15.239 -1.988 1.00 0.00 C ATOM 1019 O GLN A 71 81.997 -16.359 -1.743 1.00 0.00 O ATOM 1020 CB GLN A 71 84.612 -16.079 -1.062 1.00 0.00 C ATOM 1021 CG GLN A 71 86.128 -15.934 -1.167 1.00 0.00 C ATOM 1022 CD GLN A 71 86.812 -16.973 -0.286 1.00 0.00 C ATOM 1023 OE1 GLN A 71 86.328 -17.281 0.804 1.00 0.00 O ATOM 1024 NE2 GLN A 71 87.913 -17.539 -0.697 1.00 0.00 N ATOM 0 H GLN A 71 84.739 -13.023 -1.830 1.00 0.00 H new ATOM 0 HA GLN A 71 84.358 -14.937 -2.879 1.00 0.00 H new ATOM 0 HB2 GLN A 71 84.301 -16.025 -0.019 1.00 0.00 H new ATOM 0 HB3 GLN A 71 84.301 -17.054 -1.437 1.00 0.00 H new ATOM 0 HG2 GLN A 71 86.443 -16.059 -2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 71 86.428 -14.932 -0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 71 88.312 -17.282 -1.600 1.00 0.00 H new ATOM 0 HE22 GLN A 71 88.375 -18.238 -0.115 1.00 0.00 H new ATOM 1033 N GLY A 72 81.673 -14.229 -2.389 1.00 0.00 N ATOM 1034 CA GLY A 72 80.236 -14.393 -2.562 1.00 0.00 C ATOM 1035 C GLY A 72 79.504 -14.465 -1.232 1.00 0.00 C ATOM 1036 O GLY A 72 78.275 -14.530 -1.195 1.00 0.00 O ATOM 0 H GLY A 72 82.020 -13.293 -2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 72 79.844 -13.560 -3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 72 80.041 -15.301 -3.132 1.00 0.00 H new ATOM 1040 N LYS A 73 80.256 -14.454 -0.136 1.00 0.00 N ATOM 1041 CA LYS A 73 79.657 -14.520 1.197 1.00 0.00 C ATOM 1042 C LYS A 73 79.639 -13.134 1.823 1.00 0.00 C ATOM 1043 O LYS A 73 80.565 -12.354 1.639 1.00 0.00 O ATOM 1044 CB LYS A 73 80.468 -15.487 2.088 1.00 0.00 C ATOM 1045 CG LYS A 73 79.937 -16.917 1.947 1.00 0.00 C ATOM 1046 CD LYS A 73 80.196 -17.411 0.527 1.00 0.00 C ATOM 1047 CE LYS A 73 79.771 -18.872 0.416 1.00 0.00 C ATOM 1048 NZ LYS A 73 79.998 -19.352 -0.975 1.00 0.00 N1+ ATOM 0 H LYS A 73 81.275 -14.400 -0.141 1.00 0.00 H new ATOM 0 HA LYS A 73 78.634 -14.886 1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 73 81.521 -15.454 1.807 1.00 0.00 H new ATOM 0 HB3 LYS A 73 80.406 -15.170 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 73 80.427 -17.572 2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 73 78.869 -16.944 2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 73 79.642 -16.804 -0.188 1.00 0.00 H new ATOM 0 HD3 LYS A 73 81.253 -17.308 0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.339 -19.481 1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 73 78.719 -18.977 0.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 79.708 -20.348 -1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 79.438 -18.777 -1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 81.007 -19.266 -1.211 1.00 0.00 H new ATOM 1062 N GLU A 74 78.559 -12.837 2.544 1.00 0.00 N ATOM 1063 CA GLU A 74 78.402 -11.541 3.194 1.00 0.00 C ATOM 1064 C GLU A 74 78.845 -11.625 4.646 1.00 0.00 C ATOM 1065 O GLU A 74 78.410 -12.508 5.385 1.00 0.00 O ATOM 1066 CB GLU A 74 76.942 -11.094 3.129 1.00 0.00 C ATOM 1067 CG GLU A 74 76.801 -9.706 3.756 1.00 0.00 C ATOM 1068 CD GLU A 74 75.367 -9.213 3.612 1.00 0.00 C ATOM 1069 OE1 GLU A 74 74.643 -9.783 2.811 1.00 0.00 O ATOM 1070 OE2 GLU A 74 75.011 -8.277 4.308 1.00 0.00 O1- ATOM 0 H GLU A 74 77.780 -13.479 2.692 1.00 0.00 H new ATOM 0 HA GLU A 74 79.024 -10.813 2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 74 76.604 -11.072 2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 74 76.309 -11.808 3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 74 77.077 -9.744 4.810 1.00 0.00 H new ATOM 0 HG3 GLU A 74 77.485 -9.008 3.272 1.00 0.00 H new ATOM 1077 N TYR A 75 79.711 -10.699 5.047 1.00 0.00 N ATOM 1078 CA TYR A 75 80.221 -10.660 6.416 1.00 0.00 C ATOM 1079 C TYR A 75 79.834 -9.347 7.078 1.00 0.00 C ATOM 1080 O TYR A 75 79.212 -8.489 6.454 1.00 0.00 O ATOM 1081 CB TYR A 75 81.738 -10.788 6.410 1.00 0.00 C ATOM 1082 CG TYR A 75 82.126 -12.062 5.716 1.00 0.00 C ATOM 1083 CD1 TYR A 75 82.068 -12.125 4.324 1.00 0.00 C ATOM 1084 CD2 TYR A 75 82.542 -13.173 6.454 1.00 0.00 C ATOM 1085 CE1 TYR A 75 82.428 -13.300 3.666 1.00 0.00 C ATOM 1086 CE2 TYR A 75 82.902 -14.349 5.795 1.00 0.00 C ATOM 1087 CZ TYR A 75 82.847 -14.416 4.399 1.00 0.00 C ATOM 1088 OH TYR A 75 83.206 -15.579 3.748 1.00 0.00 O ATOM 0 H TYR A 75 80.076 -9.963 4.442 1.00 0.00 H new ATOM 0 HA TYR A 75 79.788 -11.490 6.973 1.00 0.00 H new ATOM 0 HB2 TYR A 75 82.185 -9.933 5.902 1.00 0.00 H new ATOM 0 HB3 TYR A 75 82.119 -10.786 7.431 1.00 0.00 H new ATOM 0 HD1 TYR A 75 81.745 -11.265 3.757 1.00 0.00 H new ATOM 0 HD2 TYR A 75 82.585 -13.122 7.532 1.00 0.00 H new ATOM 0 HE1 TYR A 75 82.383 -13.349 2.588 1.00 0.00 H new ATOM 0 HE2 TYR A 75 83.224 -15.209 6.364 1.00 0.00 H new ATOM 0 HH TYR A 75 83.472 -16.254 4.407 1.00 0.00 H new ATOM 1098 N ALA A 76 80.182 -9.209 8.349 1.00 0.00 N ATOM 1099 CA ALA A 76 79.848 -8.006 9.112 1.00 0.00 C ATOM 1100 C ALA A 76 81.111 -7.240 9.520 1.00 0.00 C ATOM 1101 O ALA A 76 82.215 -7.782 9.480 1.00 0.00 O ATOM 1102 CB ALA A 76 79.063 -8.440 10.365 1.00 0.00 C ATOM 0 H ALA A 76 80.696 -9.914 8.878 1.00 0.00 H new ATOM 0 HA ALA A 76 79.247 -7.338 8.495 1.00 0.00 H new ATOM 0 HB1 ALA A 76 78.801 -7.560 10.953 1.00 0.00 H new ATOM 0 HB2 ALA A 76 78.153 -8.959 10.063 1.00 0.00 H new ATOM 0 HB3 ALA A 76 79.679 -9.108 10.967 1.00 0.00 H new ATOM 1108 N PRO A 77 80.956 -6.002 9.928 1.00 0.00 N ATOM 1109 CA PRO A 77 82.102 -5.155 10.378 1.00 0.00 C ATOM 1110 C PRO A 77 82.836 -5.787 11.572 1.00 0.00 C ATOM 1111 O PRO A 77 82.205 -6.239 12.527 1.00 0.00 O ATOM 1112 CB PRO A 77 81.439 -3.811 10.760 1.00 0.00 C ATOM 1113 CG PRO A 77 79.989 -4.126 10.956 1.00 0.00 C ATOM 1114 CD PRO A 77 79.681 -5.267 9.994 1.00 0.00 C ATOM 0 HA PRO A 77 82.866 -5.039 9.609 1.00 0.00 H new ATOM 0 HB2 PRO A 77 81.878 -3.400 11.669 1.00 0.00 H new ATOM 0 HB3 PRO A 77 81.577 -3.067 9.975 1.00 0.00 H new ATOM 0 HG2 PRO A 77 79.788 -4.418 11.987 1.00 0.00 H new ATOM 0 HG3 PRO A 77 79.367 -3.256 10.744 1.00 0.00 H new ATOM 0 HD2 PRO A 77 78.871 -5.897 10.362 1.00 0.00 H new ATOM 0 HD3 PRO A 77 79.378 -4.898 9.014 1.00 0.00 H new ATOM 1122 N GLY A 78 84.170 -5.810 11.508 1.00 0.00 N ATOM 1123 CA GLY A 78 84.976 -6.384 12.589 1.00 0.00 C ATOM 1124 C GLY A 78 85.142 -7.890 12.416 1.00 0.00 C ATOM 1125 O GLY A 78 85.856 -8.536 13.185 1.00 0.00 O ATOM 0 H GLY A 78 84.711 -5.441 10.726 1.00 0.00 H new ATOM 0 HA2 GLY A 78 85.956 -5.908 12.607 1.00 0.00 H new ATOM 0 HA3 GLY A 78 84.503 -6.176 13.549 1.00 0.00 H new ATOM 1129 N GLU A 79 84.490 -8.441 11.403 1.00 0.00 N ATOM 1130 CA GLU A 79 84.583 -9.875 11.138 1.00 0.00 C ATOM 1131 C GLU A 79 85.867 -10.175 10.387 1.00 0.00 C ATOM 1132 O GLU A 79 86.274 -9.410 9.523 1.00 0.00 O ATOM 1133 CB GLU A 79 83.387 -10.344 10.305 1.00 0.00 C ATOM 1134 CG GLU A 79 83.268 -11.875 10.371 1.00 0.00 C ATOM 1135 CD GLU A 79 84.277 -12.532 9.435 1.00 0.00 C ATOM 1136 OE1 GLU A 79 84.862 -11.825 8.635 1.00 0.00 O ATOM 1137 OE2 GLU A 79 84.447 -13.736 9.532 1.00 0.00 O1- ATOM 0 H GLU A 79 83.895 -7.925 10.754 1.00 0.00 H new ATOM 0 HA GLU A 79 84.581 -10.405 12.090 1.00 0.00 H new ATOM 0 HB2 GLU A 79 82.472 -9.884 10.677 1.00 0.00 H new ATOM 0 HB3 GLU A 79 83.507 -10.025 9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 79 83.437 -12.215 11.393 1.00 0.00 H new ATOM 0 HG3 GLU A 79 82.258 -12.179 10.097 1.00 0.00 H new ATOM 1144 N THR A 80 86.527 -11.270 10.774 1.00 0.00 N ATOM 1145 CA THR A 80 87.811 -11.657 10.181 1.00 0.00 C ATOM 1146 C THR A 80 87.684 -12.904 9.340 1.00 0.00 C ATOM 1147 O THR A 80 86.813 -13.743 9.559 1.00 0.00 O ATOM 1148 CB THR A 80 88.845 -11.908 11.300 1.00 0.00 C ATOM 1149 OG1 THR A 80 89.254 -13.269 11.294 1.00 0.00 O ATOM 1150 CG2 THR A 80 88.238 -11.585 12.671 1.00 0.00 C ATOM 0 H THR A 80 86.192 -11.906 11.498 1.00 0.00 H new ATOM 0 HA THR A 80 88.138 -10.841 9.537 1.00 0.00 H new ATOM 0 HB THR A 80 89.704 -11.262 11.118 1.00 0.00 H new ATOM 0 HG1 THR A 80 89.911 -13.416 12.006 1.00 0.00 H new ATOM 0 HG21 THR A 80 88.979 -11.767 13.449 1.00 0.00 H new ATOM 0 HG22 THR A 80 87.934 -10.539 12.697 1.00 0.00 H new ATOM 0 HG23 THR A 80 87.369 -12.220 12.843 1.00 0.00 H new ATOM 1158 N VAL A 81 88.598 -13.033 8.384 1.00 0.00 N ATOM 1159 CA VAL A 81 88.617 -14.201 7.519 1.00 0.00 C ATOM 1160 C VAL A 81 90.044 -14.545 7.163 1.00 0.00 C ATOM 1161 O VAL A 81 90.901 -13.661 7.108 1.00 0.00 O ATOM 1162 CB VAL A 81 87.807 -13.943 6.252 1.00 0.00 C ATOM 1163 CG1 VAL A 81 86.368 -13.633 6.646 1.00 0.00 C ATOM 1164 CG2 VAL A 81 88.383 -12.748 5.486 1.00 0.00 C ATOM 0 H VAL A 81 89.329 -12.348 8.191 1.00 0.00 H new ATOM 0 HA VAL A 81 88.166 -15.040 8.049 1.00 0.00 H new ATOM 0 HB VAL A 81 87.848 -14.826 5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 81 85.777 -13.446 5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 81 85.948 -14.481 7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 81 86.348 -12.750 7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 81 87.795 -12.576 4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 81 88.348 -11.860 6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 81 89.417 -12.957 5.210 1.00 0.00 H new ATOM 1174 N LYS A 82 90.315 -15.826 6.930 1.00 0.00 N ATOM 1175 CA LYS A 82 91.660 -16.258 6.591 1.00 0.00 C ATOM 1176 C LYS A 82 91.777 -16.451 5.087 1.00 0.00 C ATOM 1177 O LYS A 82 90.933 -17.098 4.469 1.00 0.00 O ATOM 1178 CB LYS A 82 91.969 -17.581 7.309 1.00 0.00 C ATOM 1179 CG LYS A 82 93.490 -17.767 7.451 1.00 0.00 C ATOM 1180 CD LYS A 82 93.990 -17.037 8.705 1.00 0.00 C ATOM 1181 CE LYS A 82 95.479 -17.310 8.900 1.00 0.00 C ATOM 1182 NZ LYS A 82 96.244 -16.701 7.777 1.00 0.00 N1+ ATOM 0 H LYS A 82 89.624 -16.575 6.970 1.00 0.00 H new ATOM 0 HA LYS A 82 92.373 -15.498 6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.501 -17.587 8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 82 91.544 -18.414 6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.731 -18.828 7.517 1.00 0.00 H new ATOM 0 HG3 LYS A 82 93.997 -17.379 6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 82 93.817 -15.965 8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.432 -17.372 9.579 1.00 0.00 H new ATOM 0 HE2 LYS A 82 95.815 -16.895 9.850 1.00 0.00 H new ATOM 0 HE3 LYS A 82 95.661 -18.384 8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 97.248 -16.628 8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 96.150 -17.297 6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 95.869 -15.752 7.576 1.00 0.00 H new ATOM 1196 N ILE A 83 92.826 -15.890 4.502 1.00 0.00 N ATOM 1197 CA ILE A 83 93.042 -16.004 3.054 1.00 0.00 C ATOM 1198 C ILE A 83 94.505 -16.338 2.750 1.00 0.00 C ATOM 1199 O ILE A 83 95.363 -15.460 2.746 1.00 0.00 O ATOM 1200 CB ILE A 83 92.658 -14.682 2.375 1.00 0.00 C ATOM 1201 CG1 ILE A 83 91.234 -14.292 2.790 1.00 0.00 C ATOM 1202 CG2 ILE A 83 92.705 -14.857 0.855 1.00 0.00 C ATOM 1203 CD1 ILE A 83 90.885 -12.909 2.231 1.00 0.00 C ATOM 0 H ILE A 83 93.539 -15.354 4.997 1.00 0.00 H new ATOM 0 HA ILE A 83 92.418 -16.810 2.668 1.00 0.00 H new ATOM 0 HB ILE A 83 93.358 -13.903 2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 83 90.524 -15.032 2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 83 91.152 -14.285 3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 83 92.432 -13.919 0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 83 93.713 -15.141 0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 83 92.003 -15.636 0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 83 89.872 -12.640 2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 83 91.586 -12.171 2.621 1.00 0.00 H new ATOM 0 HD13 ILE A 83 90.948 -12.930 1.143 1.00 0.00 H new ATOM 1215 N GLY A 84 94.779 -17.617 2.490 1.00 0.00 N ATOM 1216 CA GLY A 84 96.140 -18.052 2.180 1.00 0.00 C ATOM 1217 C GLY A 84 97.155 -17.361 3.084 1.00 0.00 C ATOM 1218 O GLY A 84 97.812 -16.406 2.667 1.00 0.00 O ATOM 0 H GLY A 84 94.083 -18.363 2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 84 96.216 -19.133 2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 84 96.367 -17.831 1.137 1.00 0.00 H new ATOM 1222 N CYS A 85 97.272 -17.837 4.324 1.00 0.00 N ATOM 1223 CA CYS A 85 98.205 -17.254 5.295 1.00 0.00 C ATOM 1224 C CYS A 85 97.828 -15.804 5.613 1.00 0.00 C ATOM 1225 O CYS A 85 98.092 -15.313 6.710 1.00 0.00 O ATOM 1226 CB CYS A 85 99.662 -17.343 4.769 1.00 0.00 C ATOM 1227 SG CYS A 85 100.658 -15.952 5.375 1.00 0.00 S ATOM 0 H CYS A 85 96.733 -18.625 4.682 1.00 0.00 H new ATOM 0 HA CYS A 85 98.138 -17.828 6.219 1.00 0.00 H new ATOM 0 HB2 CYS A 85 100.111 -18.283 5.089 1.00 0.00 H new ATOM 0 HB3 CYS A 85 99.659 -17.346 3.679 1.00 0.00 H new ATOM 1232 N ASN A 86 97.222 -15.129 4.652 1.00 0.00 N ATOM 1233 CA ASN A 86 96.824 -13.739 4.830 1.00 0.00 C ATOM 1234 C ASN A 86 95.415 -13.664 5.395 1.00 0.00 C ATOM 1235 O ASN A 86 94.495 -14.251 4.851 1.00 0.00 O ATOM 1236 CB ASN A 86 96.895 -13.008 3.484 1.00 0.00 C ATOM 1237 CG ASN A 86 97.020 -11.505 3.713 1.00 0.00 C ATOM 1238 OD1 ASN A 86 96.828 -11.031 4.832 1.00 0.00 O ATOM 1239 ND2 ASN A 86 97.335 -10.729 2.716 1.00 0.00 N ATOM 0 H ASN A 86 96.993 -15.520 3.738 1.00 0.00 H new ATOM 0 HA ASN A 86 97.504 -13.260 5.534 1.00 0.00 H new ATOM 0 HB2 ASN A 86 97.748 -13.369 2.909 1.00 0.00 H new ATOM 0 HB3 ASN A 86 96.002 -13.222 2.897 1.00 0.00 H new ATOM 0 HD21 ASN A 86 97.424 -9.723 2.861 1.00 0.00 H new ATOM 0 HD22 ASN A 86 97.493 -11.127 1.790 1.00 0.00 H new ATOM 1246 N THR A 87 95.255 -12.907 6.468 1.00 0.00 N ATOM 1247 CA THR A 87 93.941 -12.734 7.097 1.00 0.00 C ATOM 1248 C THR A 87 93.463 -11.323 6.898 1.00 0.00 C ATOM 1249 O THR A 87 94.262 -10.397 6.828 1.00 0.00 O ATOM 1250 CB THR A 87 94.026 -13.069 8.585 1.00 0.00 C ATOM 1251 OG1 THR A 87 92.815 -13.682 8.995 1.00 0.00 O ATOM 1252 CG2 THR A 87 94.278 -11.820 9.437 1.00 0.00 C ATOM 0 H THR A 87 96.012 -12.400 6.926 1.00 0.00 H new ATOM 0 HA THR A 87 93.227 -13.413 6.631 1.00 0.00 H new ATOM 0 HB THR A 87 94.866 -13.748 8.731 1.00 0.00 H new ATOM 0 HG1 THR A 87 92.116 -13.501 8.332 1.00 0.00 H new ATOM 0 HG21 THR A 87 94.332 -12.102 10.489 1.00 0.00 H new ATOM 0 HG22 THR A 87 95.219 -11.358 9.137 1.00 0.00 H new ATOM 0 HG23 THR A 87 93.463 -11.111 9.293 1.00 0.00 H new ATOM 1260 N CYS A 88 92.149 -11.173 6.792 1.00 0.00 N ATOM 1261 CA CYS A 88 91.565 -9.849 6.572 1.00 0.00 C ATOM 1262 C CYS A 88 90.361 -9.628 7.462 1.00 0.00 C ATOM 1263 O CYS A 88 89.697 -10.573 7.873 1.00 0.00 O ATOM 1264 CB CYS A 88 91.192 -9.686 5.072 1.00 0.00 C ATOM 1265 SG CYS A 88 92.002 -8.220 4.373 1.00 0.00 S ATOM 0 H CYS A 88 91.474 -11.935 6.853 1.00 0.00 H new ATOM 0 HA CYS A 88 92.303 -9.091 6.835 1.00 0.00 H new ATOM 0 HB2 CYS A 88 91.493 -10.575 4.517 1.00 0.00 H new ATOM 0 HB3 CYS A 88 90.111 -9.596 4.967 1.00 0.00 H new ATOM 1270 N VAL A 89 90.095 -8.352 7.760 1.00 0.00 N ATOM 1271 CA VAL A 89 88.967 -8.000 8.614 1.00 0.00 C ATOM 1272 C VAL A 89 88.207 -6.813 8.033 1.00 0.00 C ATOM 1273 O VAL A 89 88.789 -5.919 7.426 1.00 0.00 O ATOM 1274 CB VAL A 89 89.464 -7.666 10.037 1.00 0.00 C ATOM 1275 CG1 VAL A 89 89.829 -6.184 10.148 1.00 0.00 C ATOM 1276 CG2 VAL A 89 88.384 -7.985 11.063 1.00 0.00 C ATOM 0 H VAL A 89 90.641 -7.558 7.425 1.00 0.00 H new ATOM 0 HA VAL A 89 88.291 -8.853 8.665 1.00 0.00 H new ATOM 0 HB VAL A 89 90.349 -8.272 10.233 1.00 0.00 H new ATOM 0 HG11 VAL A 89 90.177 -5.970 11.159 1.00 0.00 H new ATOM 0 HG12 VAL A 89 90.619 -5.950 9.435 1.00 0.00 H new ATOM 0 HG13 VAL A 89 88.951 -5.576 9.930 1.00 0.00 H new ATOM 0 HG21 VAL A 89 88.749 -7.745 12.062 1.00 0.00 H new ATOM 0 HG22 VAL A 89 87.493 -7.394 10.850 1.00 0.00 H new ATOM 0 HG23 VAL A 89 88.136 -9.045 11.013 1.00 0.00 H new ATOM 1286 N CYS A 90 86.898 -6.819 8.238 1.00 0.00 N ATOM 1287 CA CYS A 90 86.041 -5.751 7.753 1.00 0.00 C ATOM 1288 C CYS A 90 86.248 -4.465 8.539 1.00 0.00 C ATOM 1289 O CYS A 90 85.839 -4.357 9.696 1.00 0.00 O ATOM 1290 CB CYS A 90 84.586 -6.171 7.908 1.00 0.00 C ATOM 1291 SG CYS A 90 84.257 -7.646 6.942 1.00 0.00 S ATOM 0 H CYS A 90 86.405 -7.557 8.740 1.00 0.00 H new ATOM 0 HA CYS A 90 86.293 -5.569 6.708 1.00 0.00 H new ATOM 0 HB2 CYS A 90 84.365 -6.359 8.959 1.00 0.00 H new ATOM 0 HB3 CYS A 90 83.931 -5.362 7.584 1.00 0.00 H new ATOM 1296 N ARG A 91 86.869 -3.487 7.894 1.00 0.00 N ATOM 1297 CA ARG A 91 87.116 -2.188 8.512 1.00 0.00 C ATOM 1298 C ARG A 91 86.878 -1.089 7.488 1.00 0.00 C ATOM 1299 O ARG A 91 87.589 -0.996 6.487 1.00 0.00 O ATOM 1300 CB ARG A 91 88.564 -2.121 9.032 1.00 0.00 C ATOM 1301 CG ARG A 91 88.650 -2.725 10.445 1.00 0.00 C ATOM 1302 CD ARG A 91 88.320 -1.661 11.494 1.00 0.00 C ATOM 1303 NE ARG A 91 88.435 -2.234 12.831 1.00 0.00 N ATOM 1304 CZ ARG A 91 87.396 -2.820 13.419 1.00 0.00 C ATOM 1305 NH1 ARG A 91 86.253 -2.907 12.794 1.00 0.00 N ATOM 1306 NH2 ARG A 91 87.524 -3.318 14.617 1.00 0.00 N1+ ATOM 0 H ARG A 91 87.213 -3.568 6.937 1.00 0.00 H new ATOM 0 HA ARG A 91 86.436 -2.051 9.352 1.00 0.00 H new ATOM 0 HB2 ARG A 91 89.226 -2.662 8.356 1.00 0.00 H new ATOM 0 HB3 ARG A 91 88.904 -1.086 9.050 1.00 0.00 H new ATOM 0 HG2 ARG A 91 87.957 -3.561 10.534 1.00 0.00 H new ATOM 0 HG3 ARG A 91 89.651 -3.120 10.619 1.00 0.00 H new ATOM 0 HD2 ARG A 91 88.998 -0.814 11.392 1.00 0.00 H new ATOM 0 HD3 ARG A 91 87.310 -1.282 11.336 1.00 0.00 H new ATOM 0 HE ARG A 91 89.327 -2.184 13.323 1.00 0.00 H new ATOM 0 HH11 ARG A 91 86.156 -2.525 11.853 1.00 0.00 H new ATOM 0 HH12 ARG A 91 85.457 -3.357 13.247 1.00 0.00 H new ATOM 0 HH21 ARG A 91 88.420 -3.258 15.101 1.00 0.00 H new ATOM 0 HH22 ARG A 91 86.728 -3.768 15.070 1.00 0.00 H new ATOM 1320 N ASP A 92 85.859 -0.274 7.746 1.00 0.00 N ATOM 1321 CA ASP A 92 85.507 0.809 6.841 1.00 0.00 C ATOM 1322 C ASP A 92 84.943 0.252 5.540 1.00 0.00 C ATOM 1323 O ASP A 92 85.363 0.644 4.454 1.00 0.00 O ATOM 1324 CB ASP A 92 86.733 1.684 6.549 1.00 0.00 C ATOM 1325 CG ASP A 92 86.308 3.049 6.021 1.00 0.00 C ATOM 1326 OD1 ASP A 92 85.210 3.476 6.341 1.00 0.00 O ATOM 1327 OD2 ASP A 92 87.086 3.648 5.300 1.00 0.00 O1- ATOM 0 H ASP A 92 85.266 -0.345 8.573 1.00 0.00 H new ATOM 0 HA ASP A 92 84.744 1.423 7.321 1.00 0.00 H new ATOM 0 HB2 ASP A 92 87.322 1.808 7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 92 87.373 1.189 5.819 1.00 0.00 H new ATOM 1332 N ARG A 93 83.972 -0.649 5.662 1.00 0.00 N ATOM 1333 CA ARG A 93 83.341 -1.239 4.485 1.00 0.00 C ATOM 1334 C ARG A 93 84.383 -1.885 3.584 1.00 0.00 C ATOM 1335 O ARG A 93 84.092 -2.241 2.443 1.00 0.00 O ATOM 1336 CB ARG A 93 82.592 -0.159 3.695 1.00 0.00 C ATOM 1337 CG ARG A 93 81.790 0.715 4.658 1.00 0.00 C ATOM 1338 CD ARG A 93 80.862 1.631 3.860 1.00 0.00 C ATOM 1339 NE ARG A 93 81.640 2.559 3.045 1.00 0.00 N ATOM 1340 CZ ARG A 93 82.282 3.583 3.596 1.00 0.00 C ATOM 1341 NH1 ARG A 93 82.227 3.772 4.885 1.00 0.00 N ATOM 1342 NH2 ARG A 93 82.969 4.402 2.845 1.00 0.00 N1+ ATOM 0 H ARG A 93 83.608 -0.984 6.554 1.00 0.00 H new ATOM 0 HA ARG A 93 82.639 -2.002 4.821 1.00 0.00 H new ATOM 0 HB2 ARG A 93 83.299 0.453 3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 93 81.926 -0.622 2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 93 81.208 0.090 5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 93 82.464 1.310 5.274 1.00 0.00 H new ATOM 0 HD2 ARG A 93 80.212 1.033 3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 93 80.217 2.187 4.540 1.00 0.00 H new ATOM 0 HE ARG A 93 81.691 2.419 2.036 1.00 0.00 H new ATOM 0 HH11 ARG A 93 81.690 3.133 5.472 1.00 0.00 H new ATOM 0 HH12 ARG A 93 82.721 4.559 5.307 1.00 0.00 H new ATOM 0 HH21 ARG A 93 83.012 4.255 1.837 1.00 0.00 H new ATOM 0 HH22 ARG A 93 83.462 5.189 3.267 1.00 0.00 H new ATOM 1356 N LYS A 94 85.600 -2.031 4.101 1.00 0.00 N ATOM 1357 CA LYS A 94 86.688 -2.636 3.331 1.00 0.00 C ATOM 1358 C LYS A 94 87.400 -3.678 4.170 1.00 0.00 C ATOM 1359 O LYS A 94 87.298 -3.678 5.393 1.00 0.00 O ATOM 1360 CB LYS A 94 87.683 -1.563 2.890 1.00 0.00 C ATOM 1361 CG LYS A 94 87.058 -0.715 1.785 1.00 0.00 C ATOM 1362 CD LYS A 94 88.072 0.326 1.313 1.00 0.00 C ATOM 1363 CE LYS A 94 87.443 1.180 0.217 1.00 0.00 C ATOM 1364 NZ LYS A 94 87.214 0.346 -0.995 1.00 0.00 N1+ ATOM 0 H LYS A 94 85.859 -1.741 5.044 1.00 0.00 H new ATOM 0 HA LYS A 94 86.266 -3.114 2.447 1.00 0.00 H new ATOM 0 HB2 LYS A 94 87.955 -0.933 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 94 88.601 -2.028 2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 94 86.755 -1.349 0.951 1.00 0.00 H new ATOM 0 HG3 LYS A 94 86.158 -0.222 2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 94 88.381 0.955 2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 94 88.968 -0.167 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 94 86.500 1.600 0.566 1.00 0.00 H new ATOM 0 HE3 LYS A 94 88.096 2.019 -0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 87.096 0.963 -1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 88.030 -0.282 -1.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 86.356 -0.227 -0.865 1.00 0.00 H new ATOM 1378 N TRP A 95 88.129 -4.564 3.504 1.00 0.00 N ATOM 1379 CA TRP A 95 88.869 -5.615 4.198 1.00 0.00 C ATOM 1380 C TRP A 95 90.296 -5.159 4.469 1.00 0.00 C ATOM 1381 O TRP A 95 90.992 -4.696 3.565 1.00 0.00 O ATOM 1382 CB TRP A 95 88.880 -6.874 3.342 1.00 0.00 C ATOM 1383 CG TRP A 95 87.534 -7.511 3.349 1.00 0.00 C ATOM 1384 CD1 TRP A 95 86.617 -7.384 2.369 1.00 0.00 C ATOM 1385 CD2 TRP A 95 86.947 -8.391 4.356 1.00 0.00 C ATOM 1386 NE1 TRP A 95 85.501 -8.129 2.701 1.00 0.00 N ATOM 1387 CE2 TRP A 95 85.659 -8.772 3.914 1.00 0.00 C ATOM 1388 CE3 TRP A 95 87.399 -8.891 5.597 1.00 0.00 C ATOM 1389 CZ2 TRP A 95 84.854 -9.627 4.663 1.00 0.00 C ATOM 1390 CZ3 TRP A 95 86.587 -9.753 6.353 1.00 0.00 C ATOM 1391 CH2 TRP A 95 85.318 -10.123 5.884 1.00 0.00 C ATOM 0 H TRP A 95 88.225 -4.578 2.489 1.00 0.00 H new ATOM 0 HA TRP A 95 88.384 -5.828 5.150 1.00 0.00 H new ATOM 0 HB2 TRP A 95 89.168 -6.626 2.320 1.00 0.00 H new ATOM 0 HB3 TRP A 95 89.624 -7.574 3.721 1.00 0.00 H new ATOM 0 HD1 TRP A 95 86.735 -6.796 1.471 1.00 0.00 H new ATOM 0 HE1 TRP A 95 84.664 -8.196 2.122 1.00 0.00 H new ATOM 0 HE3 TRP A 95 88.374 -8.609 5.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 83.875 -9.905 4.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 86.942 -10.133 7.300 1.00 0.00 H new ATOM 0 HH2 TRP A 95 84.700 -10.791 6.466 1.00 0.00 H new ATOM 1402 N ASN A 96 90.736 -5.318 5.717 1.00 0.00 N ATOM 1403 CA ASN A 96 92.102 -4.934 6.103 1.00 0.00 C ATOM 1404 C ASN A 96 92.954 -6.182 6.287 1.00 0.00 C ATOM 1405 O ASN A 96 92.800 -6.909 7.265 1.00 0.00 O ATOM 1406 CB ASN A 96 92.077 -4.118 7.404 1.00 0.00 C ATOM 1407 CG ASN A 96 93.287 -3.188 7.468 1.00 0.00 C ATOM 1408 OD1 ASN A 96 94.319 -3.546 8.039 1.00 0.00 O ATOM 1409 ND2 ASN A 96 93.217 -2.014 6.907 1.00 0.00 N ATOM 0 H ASN A 96 90.175 -5.706 6.475 1.00 0.00 H new ATOM 0 HA ASN A 96 92.533 -4.319 5.313 1.00 0.00 H new ATOM 0 HB2 ASN A 96 91.158 -3.535 7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 96 92.080 -4.789 8.263 1.00 0.00 H new ATOM 0 HD21 ASN A 96 94.019 -1.385 6.939 1.00 0.00 H new ATOM 0 HD22 ASN A 96 92.360 -1.724 6.436 1.00 0.00 H new ATOM 1416 N CYS A 97 93.833 -6.437 5.321 1.00 0.00 N ATOM 1417 CA CYS A 97 94.687 -7.622 5.361 1.00 0.00 C ATOM 1418 C CYS A 97 95.972 -7.390 6.109 1.00 0.00 C ATOM 1419 O CYS A 97 96.674 -6.402 5.895 1.00 0.00 O ATOM 1420 CB CYS A 97 94.987 -8.097 3.931 1.00 0.00 C ATOM 1421 SG CYS A 97 93.530 -8.937 3.264 1.00 0.00 S ATOM 0 H CYS A 97 93.973 -5.842 4.504 1.00 0.00 H new ATOM 0 HA CYS A 97 94.140 -8.394 5.903 1.00 0.00 H new ATOM 0 HB2 CYS A 97 95.252 -7.248 3.301 1.00 0.00 H new ATOM 0 HB3 CYS A 97 95.842 -8.773 3.932 1.00 0.00 H new ATOM 1426 N THR A 98 96.277 -8.336 6.993 1.00 0.00 N ATOM 1427 CA THR A 98 97.490 -8.267 7.781 1.00 0.00 C ATOM 1428 C THR A 98 98.705 -8.291 6.880 1.00 0.00 C ATOM 1429 O THR A 98 99.617 -7.483 7.031 1.00 0.00 O ATOM 1430 CB THR A 98 97.534 -9.427 8.776 1.00 0.00 C ATOM 1431 OG1 THR A 98 96.473 -9.296 9.714 1.00 0.00 O ATOM 1432 CG2 THR A 98 98.864 -9.405 9.502 1.00 0.00 C ATOM 0 H THR A 98 95.698 -9.155 7.177 1.00 0.00 H new ATOM 0 HA THR A 98 97.497 -7.330 8.338 1.00 0.00 H new ATOM 0 HB THR A 98 97.422 -10.371 8.244 1.00 0.00 H new ATOM 0 HG1 THR A 98 96.504 -10.042 10.349 1.00 0.00 H new ATOM 0 HG21 THR A 98 98.904 -10.229 10.214 1.00 0.00 H new ATOM 0 HG22 THR A 98 99.674 -9.509 8.780 1.00 0.00 H new ATOM 0 HG23 THR A 98 98.972 -8.460 10.035 1.00 0.00 H new ATOM 1440 N ASP A 99 98.700 -9.221 5.960 1.00 0.00 N ATOM 1441 CA ASP A 99 99.801 -9.382 5.015 1.00 0.00 C ATOM 1442 C ASP A 99 100.976 -10.115 5.664 1.00 0.00 C ATOM 1443 O ASP A 99 102.066 -10.186 5.096 1.00 0.00 O ATOM 1444 CB ASP A 99 100.258 -8.009 4.490 1.00 0.00 C ATOM 1445 CG ASP A 99 100.893 -8.140 3.105 1.00 0.00 C ATOM 1446 OD1 ASP A 99 101.135 -9.260 2.687 1.00 0.00 O ATOM 1447 OD2 ASP A 99 101.130 -7.115 2.487 1.00 0.00 O1- ATOM 0 H ASP A 99 97.941 -9.891 5.836 1.00 0.00 H new ATOM 0 HA ASP A 99 99.445 -9.982 4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 99 99.406 -7.331 4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 99 100.975 -7.570 5.184 1.00 0.00 H new ATOM 1452 N HIS A 100 100.741 -10.673 6.845 1.00 0.00 N ATOM 1453 CA HIS A 100 101.780 -11.416 7.554 1.00 0.00 C ATOM 1454 C HIS A 100 102.176 -12.671 6.773 1.00 0.00 C ATOM 1455 O HIS A 100 101.367 -13.238 6.036 1.00 0.00 O ATOM 1456 CB HIS A 100 101.280 -11.818 8.948 1.00 0.00 C ATOM 1457 CG HIS A 100 99.837 -12.257 8.869 1.00 0.00 C ATOM 1458 ND1 HIS A 100 99.069 -12.473 10.002 1.00 0.00 N ATOM 1459 CD2 HIS A 100 99.007 -12.525 7.803 1.00 0.00 C ATOM 1460 CE1 HIS A 100 97.842 -12.849 9.598 1.00 0.00 C ATOM 1461 NE2 HIS A 100 97.751 -12.898 8.269 1.00 0.00 N ATOM 0 H HIS A 100 99.846 -10.627 7.332 1.00 0.00 H new ATOM 0 HA HIS A 100 102.654 -10.772 7.652 1.00 0.00 H new ATOM 0 HB2 HIS A 100 101.894 -12.626 9.345 1.00 0.00 H new ATOM 0 HB3 HIS A 100 101.376 -10.977 9.635 1.00 0.00 H new ATOM 0 HD1 HIS A 100 99.378 -12.366 10.968 1.00 0.00 H new ATOM 0 HD2 HIS A 100 99.289 -12.456 6.763 1.00 0.00 H new ATOM 0 HE1 HIS A 100 97.029 -13.083 10.269 1.00 0.00 H new ATOM 1469 N VAL A 101 103.424 -13.100 6.942 1.00 0.00 N ATOM 1470 CA VAL A 101 103.917 -14.291 6.251 1.00 0.00 C ATOM 1471 C VAL A 101 103.647 -15.540 7.082 1.00 0.00 C ATOM 1472 O VAL A 101 103.948 -15.586 8.274 1.00 0.00 O ATOM 1473 CB VAL A 101 105.417 -14.165 6.000 1.00 0.00 C ATOM 1474 CG1 VAL A 101 105.915 -15.403 5.252 1.00 0.00 C ATOM 1475 CG2 VAL A 101 105.690 -12.912 5.166 1.00 0.00 C ATOM 0 H VAL A 101 104.109 -12.646 7.546 1.00 0.00 H new ATOM 0 HA VAL A 101 103.394 -14.378 5.299 1.00 0.00 H new ATOM 0 HB VAL A 101 105.941 -14.085 6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 101 106.986 -15.313 5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 101 105.721 -16.293 5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 101 105.393 -15.486 4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 101 106.761 -12.821 4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 101 105.167 -12.988 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 101 105.336 -12.033 5.704 1.00 0.00 H new ATOM 1485 N CYS A 102 103.067 -16.547 6.438 1.00 0.00 N ATOM 1486 CA CYS A 102 102.738 -17.806 7.111 1.00 0.00 C ATOM 1487 C CYS A 102 102.810 -18.977 6.125 1.00 0.00 C ATOM 1488 O CYS A 102 102.472 -20.109 6.469 1.00 0.00 O ATOM 1489 CB CYS A 102 101.322 -17.721 7.747 1.00 0.00 C ATOM 1490 SG CYS A 102 100.571 -16.109 7.389 1.00 0.00 S ATOM 0 H CYS A 102 102.813 -16.519 5.450 1.00 0.00 H new ATOM 0 HA CYS A 102 103.468 -17.977 7.903 1.00 0.00 H new ATOM 0 HB2 CYS A 102 100.691 -18.519 7.356 1.00 0.00 H new ATOM 0 HB3 CYS A 102 101.390 -17.867 8.825 1.00 0.00 H new ATOM 1495 N ASP A 103 103.250 -18.699 4.904 1.00 0.00 N ATOM 1496 CA ASP A 103 103.358 -19.740 3.890 1.00 0.00 C ATOM 1497 C ASP A 103 102.082 -20.573 3.844 1.00 0.00 C ATOM 1498 O ASP A 103 101.077 -20.053 3.389 1.00 0.00 O ATOM 1499 CB ASP A 103 104.552 -20.645 4.202 1.00 0.00 C ATOM 1500 CG ASP A 103 105.853 -19.890 3.962 1.00 0.00 C ATOM 1501 OD1 ASP A 103 105.794 -18.816 3.386 1.00 0.00 O ATOM 1502 OD2 ASP A 103 106.892 -20.396 4.354 1.00 0.00 O1- ATOM 1503 OXT ASP A 103 102.127 -21.716 4.266 1.00 0.00 O ATOM 0 H ASP A 103 103.535 -17.770 4.594 1.00 0.00 H new ATOM 0 HA ASP A 103 103.504 -19.267 2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 103 104.503 -20.982 5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 103 104.518 -21.536 3.575 1.00 0.00 H new TER 1508 ASP A 103