USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 713 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 5 MET CE :methyl 166:sc= -0.0727 (180deg=-0.422) USER MOD Set 1.2: A 56 HIS : no HD1:sc= -0.751 K(o=-0.82,f=-0.094) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.1 (180deg=0.966) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -119:sc= 1.29 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -2.54! K(o=-2.5!,f=-0.6) USER MOD Single : A 15 SER OG : rot -128:sc= -1.46 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0387 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.156 USER MOD Single : A 34 LYS NZ :NH3+ 133:sc=-0.00595 (180deg=-0.718) USER MOD Single : A 35 ASN : amide:sc= 1 K(o=1,f=-0.87) USER MOD Single : A 36 CYS SG : rot 43:sc= -0.0303 USER MOD Single : A 37 LYS NZ :NH3+ 146:sc= -0.135 (180deg=-0.552) USER MOD Single : A 38 MET CE :methyl 157:sc= -0.106 (180deg=-0.965) USER MOD Single : A 40 MET CE :methyl -163:sc= -0.067 (180deg=-0.48) USER MOD Single : A 42 THR OG1 : rot -39:sc= 0.219 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 24:sc= 0.402 USER MOD Single : A 54 HIS : no HD1:sc= -5.34! C(o=-5.3!,f=-4.3!) USER MOD Single : A 58 HIS : no HE2:sc= -9.87! C(o=-9.9!,f=-11!) USER MOD Single : A 66 MET CE :methyl 163:sc= -0.973 (180deg=-1.65!) USER MOD Single : A 67 ASN : amide:sc= 0.72 K(o=0.72,f=-4.1!) USER MOD Single : A 70 LYS NZ :NH3+ -159:sc= -0.114 (180deg=-0.637) USER MOD Single : A 72 MET CE :methyl -160:sc= 0 (180deg=-0.282) USER MOD Single : A 74 LYS NZ :NH3+ 168:sc= 1.07 (180deg=0.944) USER MOD Single : A 77 LYS NZ :NH3+ -130:sc= 0.994 (180deg=-0.173) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00863 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0541 USER MOD Single : A 87 GLN : amide:sc= -1.34 K(o=-1.3,f=-6.1!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -12:sc= 0.879 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.270 -15.567 -6.174 1.00 0.00 N ATOM 2 CA MET A 1 -5.198 -15.453 -4.691 1.00 0.00 C ATOM 3 C MET A 1 -5.362 -14.003 -4.243 1.00 0.00 C ATOM 4 O MET A 1 -4.972 -13.627 -3.137 1.00 0.00 O ATOM 5 CB MET A 1 -3.870 -16.012 -4.165 1.00 0.00 C ATOM 6 CG MET A 1 -3.767 -17.526 -4.248 1.00 0.00 C ATOM 7 SD MET A 1 -2.220 -18.146 -3.562 1.00 0.00 S ATOM 8 CE MET A 1 -2.471 -19.913 -3.713 1.00 0.00 C ATOM 0 H1 MET A 1 -5.088 -16.551 -6.456 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.216 -15.283 -6.498 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.556 -14.946 -6.605 1.00 0.00 H new ATOM 0 HA MET A 1 -6.017 -16.040 -4.276 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.050 -15.570 -4.731 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.743 -15.705 -3.127 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.604 -17.975 -3.713 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.850 -17.837 -5.289 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.597 -20.439 -3.329 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.351 -20.206 -3.140 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.618 -20.171 -4.762 1.00 0.00 H new ATOM 20 N GLU A 2 -5.966 -13.202 -5.102 1.00 0.00 N ATOM 21 CA GLU A 2 -6.241 -11.804 -4.813 1.00 0.00 C ATOM 22 C GLU A 2 -7.432 -11.693 -3.868 1.00 0.00 C ATOM 23 O GLU A 2 -7.616 -10.686 -3.186 1.00 0.00 O ATOM 24 CB GLU A 2 -6.507 -11.028 -6.114 1.00 0.00 C ATOM 25 CG GLU A 2 -7.579 -11.639 -7.015 1.00 0.00 C ATOM 26 CD GLU A 2 -7.129 -12.921 -7.702 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.575 -12.839 -8.811 1.00 0.00 O ATOM 28 OE2 GLU A 2 -7.303 -14.014 -7.111 1.00 0.00 O ATOM 0 H GLU A 2 -6.281 -13.503 -6.024 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.368 -11.366 -4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.803 -10.010 -5.860 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -5.576 -10.958 -6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.469 -11.847 -6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.865 -10.910 -7.773 1.00 0.00 H new ATOM 35 N ASP A 3 -8.236 -12.747 -3.843 1.00 0.00 N ATOM 36 CA ASP A 3 -9.345 -12.856 -2.903 1.00 0.00 C ATOM 37 C ASP A 3 -8.818 -13.253 -1.525 1.00 0.00 C ATOM 38 O ASP A 3 -9.478 -13.058 -0.506 1.00 0.00 O ATOM 39 CB ASP A 3 -10.364 -13.881 -3.418 1.00 0.00 C ATOM 40 CG ASP A 3 -11.574 -14.035 -2.513 1.00 0.00 C ATOM 41 OD1 ASP A 3 -11.886 -15.182 -2.125 1.00 0.00 O ATOM 42 OD2 ASP A 3 -12.222 -13.017 -2.192 1.00 0.00 O ATOM 0 H ASP A 3 -8.140 -13.546 -4.469 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.844 -11.891 -2.814 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.698 -13.582 -4.412 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.873 -14.848 -3.524 1.00 0.00 H new ATOM 47 N GLU A 4 -7.605 -13.795 -1.507 1.00 0.00 N ATOM 48 CA GLU A 4 -6.943 -14.169 -0.264 1.00 0.00 C ATOM 49 C GLU A 4 -6.206 -12.969 0.320 1.00 0.00 C ATOM 50 O GLU A 4 -6.289 -12.690 1.518 1.00 0.00 O ATOM 51 CB GLU A 4 -5.953 -15.311 -0.510 1.00 0.00 C ATOM 52 CG GLU A 4 -6.603 -16.594 -0.997 1.00 0.00 C ATOM 53 CD GLU A 4 -7.587 -17.157 0.006 1.00 0.00 C ATOM 54 OE1 GLU A 4 -7.145 -17.808 0.975 1.00 0.00 O ATOM 55 OE2 GLU A 4 -8.801 -16.942 -0.167 1.00 0.00 O ATOM 0 H GLU A 4 -7.058 -13.986 -2.346 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.701 -14.504 0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.215 -14.987 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.414 -15.517 0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.117 -16.403 -1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.830 -17.336 -1.200 1.00 0.00 H new ATOM 62 N MET A 5 -5.488 -12.259 -0.543 1.00 0.00 N ATOM 63 CA MET A 5 -4.733 -11.077 -0.140 1.00 0.00 C ATOM 64 C MET A 5 -5.225 -9.853 -0.909 1.00 0.00 C ATOM 65 O MET A 5 -4.655 -9.490 -1.936 1.00 0.00 O ATOM 66 CB MET A 5 -3.235 -11.290 -0.396 1.00 0.00 C ATOM 67 CG MET A 5 -2.653 -12.485 0.342 1.00 0.00 C ATOM 68 SD MET A 5 -0.936 -12.818 -0.099 1.00 0.00 S ATOM 69 CE MET A 5 -0.144 -11.286 0.390 1.00 0.00 C ATOM 0 H MET A 5 -5.413 -12.484 -1.535 1.00 0.00 H new ATOM 0 HA MET A 5 -4.887 -10.911 0.926 1.00 0.00 H new ATOM 0 HB2 MET A 5 -3.073 -11.421 -1.466 1.00 0.00 H new ATOM 0 HB3 MET A 5 -2.693 -10.392 -0.099 1.00 0.00 H new ATOM 0 HG2 MET A 5 -2.719 -12.309 1.416 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.256 -13.367 0.126 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.937 -11.426 0.413 1.00 0.00 H new ATOM 0 HE2 MET A 5 -0.393 -10.503 -0.326 1.00 0.00 H new ATOM 0 HE3 MET A 5 -0.493 -10.996 1.381 1.00 0.00 H new ATOM 79 N PRO A 6 -6.293 -9.202 -0.415 1.00 0.00 N ATOM 80 CA PRO A 6 -6.925 -8.065 -1.101 1.00 0.00 C ATOM 81 C PRO A 6 -6.007 -6.854 -1.251 1.00 0.00 C ATOM 82 O PRO A 6 -5.929 -6.260 -2.326 1.00 0.00 O ATOM 83 CB PRO A 6 -8.113 -7.711 -0.201 1.00 0.00 C ATOM 84 CG PRO A 6 -7.774 -8.290 1.128 1.00 0.00 C ATOM 85 CD PRO A 6 -6.985 -9.532 0.843 1.00 0.00 C ATOM 0 HA PRO A 6 -7.198 -8.333 -2.122 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.253 -6.632 -0.138 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.041 -8.130 -0.589 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.194 -7.586 1.725 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.676 -8.521 1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.281 -9.756 1.644 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.630 -10.404 0.732 1.00 0.00 H new ATOM 93 N LYS A 7 -5.342 -6.487 -0.149 1.00 0.00 N ATOM 94 CA LYS A 7 -4.439 -5.327 -0.097 1.00 0.00 C ATOM 95 C LYS A 7 -5.208 -4.008 -0.109 1.00 0.00 C ATOM 96 O LYS A 7 -4.894 -3.098 0.655 1.00 0.00 O ATOM 97 CB LYS A 7 -3.415 -5.348 -1.236 1.00 0.00 C ATOM 98 CG LYS A 7 -2.391 -6.464 -1.114 1.00 0.00 C ATOM 99 CD LYS A 7 -1.323 -6.360 -2.188 1.00 0.00 C ATOM 100 CE LYS A 7 -0.666 -4.987 -2.185 1.00 0.00 C ATOM 101 NZ LYS A 7 0.530 -4.942 -3.060 1.00 0.00 N ATOM 0 H LYS A 7 -5.414 -6.988 0.737 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.900 -5.401 0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.942 -5.452 -2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.895 -4.391 -1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.924 -6.424 -0.130 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.892 -7.429 -1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.566 -7.128 -2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.767 -6.551 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.387 -4.240 -2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.380 -4.724 -1.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.947 -3.990 -3.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.229 -5.637 -2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.254 -5.168 -4.037 1.00 0.00 H new ATOM 115 N THR A 8 -6.204 -3.912 -0.974 1.00 0.00 N ATOM 116 CA THR A 8 -7.040 -2.728 -1.062 1.00 0.00 C ATOM 117 C THR A 8 -8.099 -2.736 0.036 1.00 0.00 C ATOM 118 O THR A 8 -8.845 -3.709 0.184 1.00 0.00 O ATOM 119 CB THR A 8 -7.740 -2.652 -2.433 1.00 0.00 C ATOM 120 OG1 THR A 8 -6.766 -2.730 -3.486 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.540 -1.365 -2.570 1.00 0.00 C ATOM 0 H THR A 8 -6.455 -4.650 -1.632 1.00 0.00 H new ATOM 0 HA THR A 8 -6.394 -1.858 -0.939 1.00 0.00 H new ATOM 0 HB THR A 8 -8.428 -3.494 -2.508 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.802 -1.913 -4.026 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.023 -1.339 -3.547 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.299 -1.324 -1.789 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.872 -0.509 -2.472 1.00 0.00 H new ATOM 129 N LEU A 9 -8.152 -1.665 0.810 1.00 0.00 N ATOM 130 CA LEU A 9 -9.163 -1.531 1.844 1.00 0.00 C ATOM 131 C LEU A 9 -10.378 -0.799 1.298 1.00 0.00 C ATOM 132 O LEU A 9 -10.252 0.227 0.629 1.00 0.00 O ATOM 133 CB LEU A 9 -8.608 -0.803 3.076 1.00 0.00 C ATOM 134 CG LEU A 9 -7.847 -1.681 4.078 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.740 -2.794 4.602 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.589 -2.263 3.456 1.00 0.00 C ATOM 0 H LEU A 9 -7.508 -0.877 0.742 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.462 -2.532 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.942 -0.009 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.437 -0.324 3.597 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.549 -1.048 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.182 -3.405 5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.607 -2.361 5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.073 -3.415 3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.072 -2.880 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.858 -2.874 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.933 -1.453 3.136 1.00 0.00 H new ATOM 148 N TYR A 10 -11.545 -1.356 1.567 1.00 0.00 N ATOM 149 CA TYR A 10 -12.801 -0.776 1.131 1.00 0.00 C ATOM 150 C TYR A 10 -13.438 -0.010 2.279 1.00 0.00 C ATOM 151 O TYR A 10 -13.890 -0.610 3.253 1.00 0.00 O ATOM 152 CB TYR A 10 -13.747 -1.882 0.646 1.00 0.00 C ATOM 153 CG TYR A 10 -15.109 -1.391 0.187 1.00 0.00 C ATOM 154 CD1 TYR A 10 -16.121 -1.114 1.101 1.00 0.00 C ATOM 155 CD2 TYR A 10 -15.383 -1.217 -1.160 1.00 0.00 C ATOM 156 CE1 TYR A 10 -17.363 -0.678 0.682 1.00 0.00 C ATOM 157 CE2 TYR A 10 -16.622 -0.780 -1.589 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.610 -0.512 -0.662 1.00 0.00 C ATOM 159 OH TYR A 10 -18.853 -0.078 -1.080 1.00 0.00 O ATOM 0 H TYR A 10 -11.648 -2.223 2.094 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.612 -0.088 0.307 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.271 -2.415 -0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.887 -2.602 1.452 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -15.932 -1.242 2.157 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.614 -1.427 -1.889 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.137 -0.468 1.406 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -16.816 -0.649 -2.643 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.864 -0.011 -2.058 1.00 0.00 H new ATOM 169 N VAL A 11 -13.451 1.307 2.180 1.00 0.00 N ATOM 170 CA VAL A 11 -14.131 2.132 3.164 1.00 0.00 C ATOM 171 C VAL A 11 -15.349 2.774 2.526 1.00 0.00 C ATOM 172 O VAL A 11 -15.232 3.465 1.518 1.00 0.00 O ATOM 173 CB VAL A 11 -13.213 3.229 3.740 1.00 0.00 C ATOM 174 CG1 VAL A 11 -13.935 4.015 4.826 1.00 0.00 C ATOM 175 CG2 VAL A 11 -11.927 2.623 4.281 1.00 0.00 C ATOM 0 H VAL A 11 -12.999 1.829 1.429 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.428 1.486 3.990 1.00 0.00 H new ATOM 0 HB VAL A 11 -12.954 3.916 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.271 4.784 5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.825 4.484 4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.227 3.340 5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.293 3.414 4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.165 1.911 5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.400 2.109 3.477 1.00 0.00 H new ATOM 185 N GLY A 12 -16.514 2.524 3.092 1.00 0.00 N ATOM 186 CA GLY A 12 -17.729 3.072 2.531 1.00 0.00 C ATOM 187 C GLY A 12 -18.439 4.013 3.481 1.00 0.00 C ATOM 188 O GLY A 12 -17.981 4.228 4.608 1.00 0.00 O ATOM 0 H GLY A 12 -16.643 1.953 3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.491 3.604 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.401 2.256 2.264 1.00 0.00 H new ATOM 192 N ASN A 13 -19.552 4.578 3.008 1.00 0.00 N ATOM 193 CA ASN A 13 -20.379 5.500 3.792 1.00 0.00 C ATOM 194 C ASN A 13 -19.686 6.840 3.992 1.00 0.00 C ATOM 195 O ASN A 13 -19.922 7.531 4.985 1.00 0.00 O ATOM 196 CB ASN A 13 -20.766 4.899 5.148 1.00 0.00 C ATOM 197 CG ASN A 13 -21.760 3.760 5.027 1.00 0.00 C ATOM 198 OD1 ASN A 13 -21.784 2.853 5.857 1.00 0.00 O ATOM 199 ND2 ASN A 13 -22.602 3.804 4.007 1.00 0.00 N ATOM 0 H ASN A 13 -19.907 4.409 2.067 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.291 5.667 3.220 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -19.868 4.539 5.650 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.191 5.680 5.778 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.300 3.070 3.890 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -22.553 4.572 3.338 1.00 0.00 H new ATOM 206 N LEU A 14 -18.861 7.215 3.023 1.00 0.00 N ATOM 207 CA LEU A 14 -18.138 8.477 3.075 1.00 0.00 C ATOM 208 C LEU A 14 -19.089 9.650 2.882 1.00 0.00 C ATOM 209 O LEU A 14 -20.250 9.477 2.503 1.00 0.00 O ATOM 210 CB LEU A 14 -17.038 8.527 2.004 1.00 0.00 C ATOM 211 CG LEU A 14 -15.712 7.846 2.366 1.00 0.00 C ATOM 212 CD1 LEU A 14 -15.072 8.525 3.568 1.00 0.00 C ATOM 213 CD2 LEU A 14 -15.911 6.365 2.636 1.00 0.00 C ATOM 0 H LEU A 14 -18.676 6.659 2.188 1.00 0.00 H new ATOM 0 HA LEU A 14 -17.674 8.550 4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.423 8.066 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.834 9.572 1.770 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.041 7.945 1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.133 8.028 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -14.879 9.572 3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.746 8.462 4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.954 5.910 2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.605 6.237 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.317 5.884 1.746 1.00 0.00 H new ATOM 225 N SER A 15 -18.591 10.839 3.158 1.00 0.00 N ATOM 226 CA SER A 15 -19.362 12.054 3.014 1.00 0.00 C ATOM 227 C SER A 15 -18.440 13.195 2.611 1.00 0.00 C ATOM 228 O SER A 15 -17.260 13.190 2.950 1.00 0.00 O ATOM 229 CB SER A 15 -20.060 12.369 4.334 1.00 0.00 C ATOM 230 OG SER A 15 -20.899 11.294 4.719 1.00 0.00 O ATOM 0 H SER A 15 -17.638 10.988 3.489 1.00 0.00 H new ATOM 0 HA SER A 15 -20.117 11.925 2.239 1.00 0.00 H new ATOM 0 HB2 SER A 15 -19.317 12.555 5.110 1.00 0.00 H new ATOM 0 HB3 SER A 15 -20.650 13.280 4.232 1.00 0.00 H new ATOM 0 HG SER A 15 -21.798 11.634 4.912 1.00 0.00 H new ATOM 236 N ARG A 16 -18.987 14.160 1.880 1.00 0.00 N ATOM 237 CA ARG A 16 -18.219 15.310 1.404 1.00 0.00 C ATOM 238 C ARG A 16 -17.727 16.193 2.551 1.00 0.00 C ATOM 239 O ARG A 16 -16.976 17.144 2.336 1.00 0.00 O ATOM 240 CB ARG A 16 -19.040 16.120 0.387 1.00 0.00 C ATOM 241 CG ARG A 16 -20.504 16.328 0.769 1.00 0.00 C ATOM 242 CD ARG A 16 -20.670 17.287 1.933 1.00 0.00 C ATOM 243 NE ARG A 16 -20.115 18.603 1.634 1.00 0.00 N ATOM 244 CZ ARG A 16 -19.766 19.486 2.559 1.00 0.00 C ATOM 245 NH1 ARG A 16 -19.919 19.207 3.844 1.00 0.00 N ATOM 246 NH2 ARG A 16 -19.251 20.649 2.199 1.00 0.00 N ATOM 0 H ARG A 16 -19.968 14.170 1.601 1.00 0.00 H new ATOM 0 HA ARG A 16 -17.330 14.926 0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -18.571 17.095 0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -18.999 15.614 -0.578 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -21.050 16.710 -0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -20.949 15.367 1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -21.728 17.385 2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -20.178 16.877 2.815 1.00 0.00 H new ATOM 0 HE ARG A 16 -19.988 18.859 0.655 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -20.308 18.308 4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -19.648 19.891 4.550 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -19.123 20.866 1.211 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -18.982 21.330 2.910 1.00 0.00 H new ATOM 260 N ASP A 17 -18.176 15.882 3.765 1.00 0.00 N ATOM 261 CA ASP A 17 -17.675 16.535 4.972 1.00 0.00 C ATOM 262 C ASP A 17 -16.284 16.019 5.310 1.00 0.00 C ATOM 263 O ASP A 17 -15.500 16.695 5.977 1.00 0.00 O ATOM 264 CB ASP A 17 -18.607 16.272 6.158 1.00 0.00 C ATOM 265 CG ASP A 17 -19.857 17.125 6.134 1.00 0.00 C ATOM 266 OD1 ASP A 17 -20.018 17.971 7.041 1.00 0.00 O ATOM 267 OD2 ASP A 17 -20.682 16.961 5.210 1.00 0.00 O ATOM 0 H ASP A 17 -18.891 15.176 3.939 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.633 17.607 4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.893 15.220 6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.066 16.458 7.086 1.00 0.00 H new ATOM 272 N VAL A 18 -15.986 14.817 4.840 1.00 0.00 N ATOM 273 CA VAL A 18 -14.715 14.177 5.120 1.00 0.00 C ATOM 274 C VAL A 18 -13.650 14.681 4.157 1.00 0.00 C ATOM 275 O VAL A 18 -13.829 14.633 2.940 1.00 0.00 O ATOM 276 CB VAL A 18 -14.818 12.640 5.005 1.00 0.00 C ATOM 277 CG1 VAL A 18 -13.516 11.983 5.427 1.00 0.00 C ATOM 278 CG2 VAL A 18 -15.983 12.105 5.830 1.00 0.00 C ATOM 0 H VAL A 18 -16.615 14.263 4.258 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.439 14.430 6.144 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.005 12.393 3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.609 10.901 5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.708 12.331 4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.295 12.245 6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.032 11.021 5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.837 12.367 6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.914 12.544 5.472 1.00 0.00 H new ATOM 288 N THR A 19 -12.553 15.178 4.704 1.00 0.00 N ATOM 289 CA THR A 19 -11.459 15.661 3.885 1.00 0.00 C ATOM 290 C THR A 19 -10.539 14.511 3.488 1.00 0.00 C ATOM 291 O THR A 19 -10.297 13.578 4.264 1.00 0.00 O ATOM 292 CB THR A 19 -10.651 16.760 4.613 1.00 0.00 C ATOM 293 OG1 THR A 19 -9.499 17.125 3.842 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.216 16.305 5.999 1.00 0.00 C ATOM 0 H THR A 19 -12.399 15.257 5.709 1.00 0.00 H new ATOM 0 HA THR A 19 -11.890 16.098 2.984 1.00 0.00 H new ATOM 0 HB THR A 19 -11.302 17.627 4.726 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.997 17.823 4.313 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.650 17.101 6.483 1.00 0.00 H new ATOM 0 HG22 THR A 19 -11.096 16.070 6.598 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.590 15.417 5.911 1.00 0.00 H new ATOM 302 N GLU A 20 -10.033 14.599 2.266 1.00 0.00 N ATOM 303 CA GLU A 20 -9.150 13.594 1.698 1.00 0.00 C ATOM 304 C GLU A 20 -7.811 13.595 2.423 1.00 0.00 C ATOM 305 O GLU A 20 -7.112 12.583 2.465 1.00 0.00 O ATOM 306 CB GLU A 20 -8.965 13.888 0.209 1.00 0.00 C ATOM 307 CG GLU A 20 -8.091 12.897 -0.533 1.00 0.00 C ATOM 308 CD GLU A 20 -7.865 13.312 -1.970 1.00 0.00 C ATOM 309 OE1 GLU A 20 -8.543 12.772 -2.867 1.00 0.00 O ATOM 310 OE2 GLU A 20 -7.027 14.206 -2.203 1.00 0.00 O ATOM 0 H GLU A 20 -10.227 15.378 1.636 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.590 12.604 1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.946 13.912 -0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.533 14.883 0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.131 12.808 -0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.557 11.912 -0.508 1.00 0.00 H new ATOM 317 N ALA A 21 -7.474 14.734 3.016 1.00 0.00 N ATOM 318 CA ALA A 21 -6.242 14.860 3.779 1.00 0.00 C ATOM 319 C ALA A 21 -6.277 13.938 4.991 1.00 0.00 C ATOM 320 O ALA A 21 -5.283 13.300 5.331 1.00 0.00 O ATOM 321 CB ALA A 21 -6.035 16.302 4.213 1.00 0.00 C ATOM 0 H ALA A 21 -8.038 15.583 2.982 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.405 14.567 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.109 16.381 4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.975 16.942 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.872 16.619 4.835 1.00 0.00 H new ATOM 327 N LEU A 22 -7.444 13.856 5.620 1.00 0.00 N ATOM 328 CA LEU A 22 -7.621 13.031 6.805 1.00 0.00 C ATOM 329 C LEU A 22 -7.557 11.553 6.438 1.00 0.00 C ATOM 330 O LEU A 22 -6.804 10.790 7.037 1.00 0.00 O ATOM 331 CB LEU A 22 -8.961 13.346 7.473 1.00 0.00 C ATOM 332 CG LEU A 22 -9.240 12.580 8.767 1.00 0.00 C ATOM 333 CD1 LEU A 22 -8.206 12.924 9.830 1.00 0.00 C ATOM 334 CD2 LEU A 22 -10.647 12.872 9.271 1.00 0.00 C ATOM 0 H LEU A 22 -8.284 14.354 5.326 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.816 13.253 7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.000 14.414 7.686 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.761 13.133 6.764 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.168 11.513 8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.423 12.368 10.742 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.212 12.657 9.471 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.241 13.993 10.039 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.826 12.318 10.192 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.750 13.940 9.464 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.374 12.568 8.518 1.00 0.00 H new ATOM 346 N ILE A 23 -8.338 11.169 5.432 1.00 0.00 N ATOM 347 CA ILE A 23 -8.399 9.780 4.987 1.00 0.00 C ATOM 348 C ILE A 23 -7.012 9.258 4.631 1.00 0.00 C ATOM 349 O ILE A 23 -6.576 8.228 5.147 1.00 0.00 O ATOM 350 CB ILE A 23 -9.341 9.627 3.768 1.00 0.00 C ATOM 351 CG1 ILE A 23 -10.779 9.968 4.166 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.265 8.221 3.183 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.341 9.072 5.249 1.00 0.00 C ATOM 0 H ILE A 23 -8.940 11.804 4.907 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.795 9.191 5.814 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.014 10.325 2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.816 11.002 4.507 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.416 9.900 3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.938 8.146 2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.244 8.016 2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.559 7.495 3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.363 9.375 5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.337 8.038 4.904 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.728 9.157 6.146 1.00 0.00 H new ATOM 365 N LEU A 24 -6.315 9.989 3.774 1.00 0.00 N ATOM 366 CA LEU A 24 -4.988 9.590 3.330 1.00 0.00 C ATOM 367 C LEU A 24 -4.014 9.504 4.503 1.00 0.00 C ATOM 368 O LEU A 24 -3.233 8.561 4.591 1.00 0.00 O ATOM 369 CB LEU A 24 -4.464 10.560 2.264 1.00 0.00 C ATOM 370 CG LEU A 24 -4.790 10.187 0.811 1.00 0.00 C ATOM 371 CD1 LEU A 24 -4.102 8.886 0.424 1.00 0.00 C ATOM 372 CD2 LEU A 24 -6.292 10.073 0.600 1.00 0.00 C ATOM 0 H LEU A 24 -6.648 10.865 3.371 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.067 8.597 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.873 11.550 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.381 10.635 2.367 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.415 10.984 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.346 8.639 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.023 9.001 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.444 8.085 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.495 9.808 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.694 9.302 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.765 11.028 0.830 1.00 0.00 H new ATOM 384 N GLN A 25 -4.089 10.472 5.413 1.00 0.00 N ATOM 385 CA GLN A 25 -3.192 10.515 6.567 1.00 0.00 C ATOM 386 C GLN A 25 -3.439 9.332 7.502 1.00 0.00 C ATOM 387 O GLN A 25 -2.495 8.677 7.949 1.00 0.00 O ATOM 388 CB GLN A 25 -3.378 11.823 7.335 1.00 0.00 C ATOM 389 CG GLN A 25 -2.395 12.001 8.481 1.00 0.00 C ATOM 390 CD GLN A 25 -2.678 13.240 9.301 1.00 0.00 C ATOM 391 OE1 GLN A 25 -3.202 14.232 8.796 1.00 0.00 O ATOM 392 NE2 GLN A 25 -2.326 13.197 10.576 1.00 0.00 N ATOM 0 H GLN A 25 -4.762 11.238 5.374 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.169 10.455 6.196 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.272 12.659 6.643 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.394 11.862 7.729 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.434 11.125 9.128 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.383 12.057 8.081 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.894 12.356 10.958 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.487 14.005 11.177 1.00 0.00 H new ATOM 401 N LEU A 26 -4.711 9.061 7.778 1.00 0.00 N ATOM 402 CA LEU A 26 -5.094 7.985 8.692 1.00 0.00 C ATOM 403 C LEU A 26 -4.547 6.638 8.241 1.00 0.00 C ATOM 404 O LEU A 26 -4.146 5.817 9.059 1.00 0.00 O ATOM 405 CB LEU A 26 -6.609 7.905 8.827 1.00 0.00 C ATOM 406 CG LEU A 26 -7.251 9.087 9.550 1.00 0.00 C ATOM 407 CD1 LEU A 26 -8.716 8.808 9.791 1.00 0.00 C ATOM 408 CD2 LEU A 26 -6.536 9.374 10.864 1.00 0.00 C ATOM 0 H LEU A 26 -5.499 9.573 7.381 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.658 8.220 9.663 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.045 7.826 7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.864 6.989 9.360 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.159 9.972 8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.168 9.655 10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.219 8.655 8.836 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.820 7.913 10.404 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.012 10.220 11.360 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.593 8.497 11.508 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.491 9.611 10.665 1.00 0.00 H new ATOM 420 N PHE A 27 -4.537 6.411 6.941 1.00 0.00 N ATOM 421 CA PHE A 27 -4.020 5.162 6.408 1.00 0.00 C ATOM 422 C PHE A 27 -2.511 5.234 6.219 1.00 0.00 C ATOM 423 O PHE A 27 -1.821 4.219 6.299 1.00 0.00 O ATOM 424 CB PHE A 27 -4.706 4.815 5.087 1.00 0.00 C ATOM 425 CG PHE A 27 -6.180 4.553 5.231 1.00 0.00 C ATOM 426 CD1 PHE A 27 -6.640 3.606 6.133 1.00 0.00 C ATOM 427 CD2 PHE A 27 -7.105 5.251 4.471 1.00 0.00 C ATOM 428 CE1 PHE A 27 -7.992 3.360 6.275 1.00 0.00 C ATOM 429 CE2 PHE A 27 -8.459 5.009 4.609 1.00 0.00 C ATOM 430 CZ PHE A 27 -8.903 4.065 5.513 1.00 0.00 C ATOM 0 H PHE A 27 -4.877 7.068 6.239 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.236 4.374 7.129 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.557 5.633 4.383 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.228 3.934 4.658 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.932 3.053 6.733 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.764 5.992 3.763 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.336 2.618 6.980 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.170 5.559 4.009 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.961 3.878 5.624 1.00 0.00 H new ATOM 440 N SER A 28 -2.006 6.442 5.999 1.00 0.00 N ATOM 441 CA SER A 28 -0.587 6.656 5.748 1.00 0.00 C ATOM 442 C SER A 28 0.240 6.344 6.994 1.00 0.00 C ATOM 443 O SER A 28 1.371 5.859 6.897 1.00 0.00 O ATOM 444 CB SER A 28 -0.347 8.101 5.302 1.00 0.00 C ATOM 445 OG SER A 28 0.943 8.271 4.742 1.00 0.00 O ATOM 0 H SER A 28 -2.565 7.295 5.990 1.00 0.00 H new ATOM 0 HA SER A 28 -0.272 5.980 4.953 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.102 8.385 4.569 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.464 8.769 6.155 1.00 0.00 H new ATOM 0 HG SER A 28 1.060 9.204 4.467 1.00 0.00 H new ATOM 451 N GLN A 29 -0.330 6.621 8.168 1.00 0.00 N ATOM 452 CA GLN A 29 0.345 6.335 9.433 1.00 0.00 C ATOM 453 C GLN A 29 0.407 4.830 9.682 1.00 0.00 C ATOM 454 O GLN A 29 1.210 4.350 10.481 1.00 0.00 O ATOM 455 CB GLN A 29 -0.363 7.029 10.601 1.00 0.00 C ATOM 456 CG GLN A 29 -1.794 6.564 10.812 1.00 0.00 C ATOM 457 CD GLN A 29 -2.423 7.144 12.061 1.00 0.00 C ATOM 458 OE1 GLN A 29 -3.038 8.209 12.028 1.00 0.00 O ATOM 459 NE2 GLN A 29 -2.273 6.447 13.175 1.00 0.00 N ATOM 0 H GLN A 29 -1.254 7.041 8.268 1.00 0.00 H new ATOM 0 HA GLN A 29 1.361 6.723 9.364 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.205 6.853 11.515 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -0.362 8.105 10.427 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.393 6.844 9.946 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.812 5.476 10.874 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.756 5.568 13.161 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.675 6.789 14.048 1.00 0.00 H new ATOM 468 N ILE A 30 -0.453 4.091 8.994 1.00 0.00 N ATOM 469 CA ILE A 30 -0.477 2.643 9.106 1.00 0.00 C ATOM 470 C ILE A 30 0.474 2.032 8.082 1.00 0.00 C ATOM 471 O ILE A 30 1.255 1.132 8.393 1.00 0.00 O ATOM 472 CB ILE A 30 -1.901 2.080 8.885 1.00 0.00 C ATOM 473 CG1 ILE A 30 -2.911 2.770 9.811 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.919 0.573 9.106 1.00 0.00 C ATOM 475 CD1 ILE A 30 -2.605 2.609 11.285 1.00 0.00 C ATOM 0 H ILE A 30 -1.145 4.475 8.350 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.160 2.380 10.115 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.190 2.283 7.854 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.942 3.833 9.571 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.905 2.369 9.611 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.928 0.194 8.946 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.236 0.094 8.404 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.605 0.351 10.126 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.364 3.125 11.873 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.604 1.550 11.543 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.626 3.036 11.502 1.00 0.00 H new ATOM 487 N GLY A 31 0.402 2.537 6.861 1.00 0.00 N ATOM 488 CA GLY A 31 1.293 2.096 5.814 1.00 0.00 C ATOM 489 C GLY A 31 1.214 2.989 4.597 1.00 0.00 C ATOM 490 O GLY A 31 0.260 3.747 4.458 1.00 0.00 O ATOM 0 H GLY A 31 -0.266 3.253 6.576 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.316 2.083 6.189 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.044 1.073 5.531 1.00 0.00 H new ATOM 494 N PRO A 32 2.193 2.911 3.689 1.00 0.00 N ATOM 495 CA PRO A 32 2.226 3.757 2.495 1.00 0.00 C ATOM 496 C PRO A 32 1.058 3.468 1.556 1.00 0.00 C ATOM 497 O PRO A 32 0.942 2.369 1.001 1.00 0.00 O ATOM 498 CB PRO A 32 3.565 3.405 1.832 1.00 0.00 C ATOM 499 CG PRO A 32 4.354 2.715 2.893 1.00 0.00 C ATOM 500 CD PRO A 32 3.347 2.003 3.743 1.00 0.00 C ATOM 0 HA PRO A 32 2.136 4.815 2.741 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.419 2.759 0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.077 4.300 1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.066 2.014 2.458 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.929 3.430 3.482 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.107 1.016 3.348 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.704 1.860 4.763 1.00 0.00 H new ATOM 508 N CYS A 33 0.180 4.450 1.416 1.00 0.00 N ATOM 509 CA CYS A 33 -0.968 4.347 0.529 1.00 0.00 C ATOM 510 C CYS A 33 -0.628 4.930 -0.841 1.00 0.00 C ATOM 511 O CYS A 33 -0.395 6.131 -0.975 1.00 0.00 O ATOM 512 CB CYS A 33 -2.164 5.076 1.149 1.00 0.00 C ATOM 513 SG CYS A 33 -1.746 6.679 1.878 1.00 0.00 S ATOM 0 H CYS A 33 0.243 5.338 1.913 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.229 3.297 0.396 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.925 5.223 0.382 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.605 4.442 1.918 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.817 7.222 2.375 1.00 0.00 H new ATOM 519 N LYS A 34 -0.591 4.077 -1.858 1.00 0.00 N ATOM 520 CA LYS A 34 -0.152 4.502 -3.180 1.00 0.00 C ATOM 521 C LYS A 34 -1.309 5.049 -4.011 1.00 0.00 C ATOM 522 O LYS A 34 -1.128 5.962 -4.819 1.00 0.00 O ATOM 523 CB LYS A 34 0.522 3.349 -3.924 1.00 0.00 C ATOM 524 CG LYS A 34 1.128 3.773 -5.253 1.00 0.00 C ATOM 525 CD LYS A 34 2.139 4.892 -5.060 1.00 0.00 C ATOM 526 CE LYS A 34 2.451 5.605 -6.368 1.00 0.00 C ATOM 527 NZ LYS A 34 1.231 6.213 -6.963 1.00 0.00 N ATOM 0 H LYS A 34 -0.858 3.095 -1.793 1.00 0.00 H new ATOM 0 HA LYS A 34 0.571 5.305 -3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.303 2.925 -3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.209 2.560 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.612 2.918 -5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.338 4.104 -5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.752 5.611 -4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.058 4.483 -4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.196 6.381 -6.192 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.887 4.898 -7.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.436 7.190 -7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.937 5.660 -7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.465 6.215 -6.259 1.00 0.00 H new ATOM 541 N ASN A 35 -2.499 4.517 -3.800 1.00 0.00 N ATOM 542 CA ASN A 35 -3.655 4.928 -4.583 1.00 0.00 C ATOM 543 C ASN A 35 -4.798 5.329 -3.678 1.00 0.00 C ATOM 544 O ASN A 35 -5.063 4.676 -2.666 1.00 0.00 O ATOM 545 CB ASN A 35 -4.138 3.811 -5.517 1.00 0.00 C ATOM 546 CG ASN A 35 -3.195 3.524 -6.670 1.00 0.00 C ATOM 547 OD1 ASN A 35 -2.445 4.393 -7.114 1.00 0.00 O ATOM 548 ND2 ASN A 35 -3.260 2.304 -7.181 1.00 0.00 N ATOM 0 H ASN A 35 -2.692 3.803 -3.098 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.339 5.779 -5.186 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.275 2.899 -4.936 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.114 4.083 -5.918 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.673 2.052 -7.976 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.897 1.616 -6.779 1.00 0.00 H new ATOM 555 N CYS A 36 -5.459 6.411 -4.044 1.00 0.00 N ATOM 556 CA CYS A 36 -6.626 6.876 -3.327 1.00 0.00 C ATOM 557 C CYS A 36 -7.799 7.027 -4.285 1.00 0.00 C ATOM 558 O CYS A 36 -7.847 7.951 -5.096 1.00 0.00 O ATOM 559 CB CYS A 36 -6.324 8.200 -2.628 1.00 0.00 C ATOM 560 SG CYS A 36 -5.455 9.401 -3.666 1.00 0.00 S ATOM 0 H CYS A 36 -5.201 6.989 -4.844 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.892 6.142 -2.567 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.261 8.641 -2.287 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.724 8.001 -1.740 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.976 9.403 -4.857 1.00 0.00 H new ATOM 566 N LYS A 37 -8.724 6.093 -4.208 1.00 0.00 N ATOM 567 CA LYS A 37 -9.912 6.125 -5.035 1.00 0.00 C ATOM 568 C LYS A 37 -11.099 6.599 -4.227 1.00 0.00 C ATOM 569 O LYS A 37 -11.602 5.870 -3.382 1.00 0.00 O ATOM 570 CB LYS A 37 -10.212 4.739 -5.582 1.00 0.00 C ATOM 571 CG LYS A 37 -9.274 4.288 -6.683 1.00 0.00 C ATOM 572 CD LYS A 37 -9.634 4.935 -8.006 1.00 0.00 C ATOM 573 CE LYS A 37 -8.790 4.389 -9.142 1.00 0.00 C ATOM 574 NZ LYS A 37 -8.834 2.904 -9.214 1.00 0.00 N ATOM 0 H LYS A 37 -8.674 5.295 -3.575 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.733 6.813 -5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.166 4.020 -4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.234 4.724 -5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.248 4.542 -6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.318 3.203 -6.781 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.689 4.763 -8.221 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.495 6.014 -7.934 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.141 4.807 -10.086 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.758 4.714 -9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.778 2.603 -10.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.031 2.507 -8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.724 2.562 -8.798 1.00 0.00 H new ATOM 588 N MET A 38 -11.538 7.810 -4.475 1.00 0.00 N ATOM 589 CA MET A 38 -12.720 8.331 -3.813 1.00 0.00 C ATOM 590 C MET A 38 -13.856 8.390 -4.814 1.00 0.00 C ATOM 591 O MET A 38 -13.941 9.315 -5.625 1.00 0.00 O ATOM 592 CB MET A 38 -12.459 9.714 -3.211 1.00 0.00 C ATOM 593 CG MET A 38 -13.657 10.278 -2.458 1.00 0.00 C ATOM 594 SD MET A 38 -13.324 11.879 -1.698 1.00 0.00 S ATOM 595 CE MET A 38 -12.955 12.874 -3.140 1.00 0.00 C ATOM 0 H MET A 38 -11.098 8.456 -5.130 1.00 0.00 H new ATOM 0 HA MET A 38 -12.987 7.668 -2.990 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.608 9.653 -2.533 1.00 0.00 H new ATOM 0 HB3 MET A 38 -12.182 10.404 -4.008 1.00 0.00 H new ATOM 0 HG2 MET A 38 -14.497 10.376 -3.145 1.00 0.00 H new ATOM 0 HG3 MET A 38 -13.959 9.571 -1.685 1.00 0.00 H new ATOM 0 HE1 MET A 38 -13.129 13.925 -2.911 1.00 0.00 H new ATOM 0 HE2 MET A 38 -11.912 12.732 -3.423 1.00 0.00 H new ATOM 0 HE3 MET A 38 -13.599 12.572 -3.965 1.00 0.00 H new ATOM 605 N ILE A 39 -14.716 7.393 -4.762 1.00 0.00 N ATOM 606 CA ILE A 39 -15.781 7.263 -5.735 1.00 0.00 C ATOM 607 C ILE A 39 -16.987 8.086 -5.308 1.00 0.00 C ATOM 608 O ILE A 39 -17.887 7.597 -4.619 1.00 0.00 O ATOM 609 CB ILE A 39 -16.193 5.787 -5.942 1.00 0.00 C ATOM 610 CG1 ILE A 39 -14.955 4.912 -6.199 1.00 0.00 C ATOM 611 CG2 ILE A 39 -17.182 5.669 -7.095 1.00 0.00 C ATOM 612 CD1 ILE A 39 -14.120 5.344 -7.392 1.00 0.00 C ATOM 0 H ILE A 39 -14.698 6.659 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.405 7.639 -6.686 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.679 5.433 -5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.327 4.922 -5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.278 3.882 -6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.462 4.624 -7.228 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.072 6.258 -6.873 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.720 6.040 -8.010 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.267 4.674 -7.501 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.729 5.307 -8.295 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.763 6.362 -7.237 1.00 0.00 H new ATOM 624 N MET A 40 -16.969 9.349 -5.690 1.00 0.00 N ATOM 625 CA MET A 40 -18.080 10.246 -5.436 1.00 0.00 C ATOM 626 C MET A 40 -18.934 10.361 -6.689 1.00 0.00 C ATOM 627 O MET A 40 -18.411 10.519 -7.796 1.00 0.00 O ATOM 628 CB MET A 40 -17.572 11.624 -4.991 1.00 0.00 C ATOM 629 CG MET A 40 -16.631 12.289 -5.985 1.00 0.00 C ATOM 630 SD MET A 40 -15.912 13.818 -5.351 1.00 0.00 S ATOM 631 CE MET A 40 -17.384 14.796 -5.064 1.00 0.00 C ATOM 0 H MET A 40 -16.187 9.781 -6.183 1.00 0.00 H new ATOM 0 HA MET A 40 -18.690 9.842 -4.628 1.00 0.00 H new ATOM 0 HB2 MET A 40 -18.428 12.278 -4.823 1.00 0.00 H new ATOM 0 HB3 MET A 40 -17.059 11.519 -4.035 1.00 0.00 H new ATOM 0 HG2 MET A 40 -15.830 11.595 -6.241 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.174 12.503 -6.906 1.00 0.00 H new ATOM 0 HE1 MET A 40 -17.109 15.846 -4.965 1.00 0.00 H new ATOM 0 HE2 MET A 40 -18.069 14.678 -5.904 1.00 0.00 H new ATOM 0 HE3 MET A 40 -17.871 14.460 -4.149 1.00 0.00 H new ATOM 641 N ASP A 41 -20.240 10.256 -6.519 1.00 0.00 N ATOM 642 CA ASP A 41 -21.156 10.254 -7.650 1.00 0.00 C ATOM 643 C ASP A 41 -22.451 10.961 -7.268 1.00 0.00 C ATOM 644 O ASP A 41 -22.678 11.265 -6.097 1.00 0.00 O ATOM 645 CB ASP A 41 -21.442 8.813 -8.086 1.00 0.00 C ATOM 646 CG ASP A 41 -21.927 8.725 -9.519 1.00 0.00 C ATOM 647 OD1 ASP A 41 -21.089 8.487 -10.419 1.00 0.00 O ATOM 648 OD2 ASP A 41 -23.140 8.900 -9.755 1.00 0.00 O ATOM 0 H ASP A 41 -20.692 10.171 -5.609 1.00 0.00 H new ATOM 0 HA ASP A 41 -20.699 10.787 -8.484 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -20.536 8.217 -7.975 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -22.192 8.379 -7.425 1.00 0.00 H new ATOM 653 N THR A 42 -23.296 11.212 -8.258 1.00 0.00 N ATOM 654 CA THR A 42 -24.527 11.958 -8.054 1.00 0.00 C ATOM 655 C THR A 42 -25.685 11.006 -7.760 1.00 0.00 C ATOM 656 O THR A 42 -26.787 11.432 -7.401 1.00 0.00 O ATOM 657 CB THR A 42 -24.857 12.822 -9.296 1.00 0.00 C ATOM 658 OG1 THR A 42 -25.979 13.677 -9.042 1.00 0.00 O ATOM 659 CG2 THR A 42 -25.152 11.948 -10.507 1.00 0.00 C ATOM 0 H THR A 42 -23.148 10.906 -9.220 1.00 0.00 H new ATOM 0 HA THR A 42 -24.385 12.618 -7.198 1.00 0.00 H new ATOM 0 HB THR A 42 -23.981 13.436 -9.507 1.00 0.00 H new ATOM 0 HG1 THR A 42 -26.646 13.193 -8.511 1.00 0.00 H new ATOM 0 HG21 THR A 42 -25.381 12.580 -11.365 1.00 0.00 H new ATOM 0 HG22 THR A 42 -24.281 11.332 -10.732 1.00 0.00 H new ATOM 0 HG23 THR A 42 -26.006 11.305 -10.292 1.00 0.00 H new ATOM 667 N ALA A 43 -25.428 9.715 -7.919 1.00 0.00 N ATOM 668 CA ALA A 43 -26.425 8.700 -7.650 1.00 0.00 C ATOM 669 C ALA A 43 -25.796 7.518 -6.928 1.00 0.00 C ATOM 670 O ALA A 43 -24.590 7.286 -7.039 1.00 0.00 O ATOM 671 CB ALA A 43 -27.072 8.247 -8.946 1.00 0.00 C ATOM 0 H ALA A 43 -24.530 9.349 -8.235 1.00 0.00 H new ATOM 0 HA ALA A 43 -27.195 9.126 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -27.820 7.484 -8.732 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -27.550 9.098 -9.431 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -26.311 7.833 -9.608 1.00 0.00 H new ATOM 677 N GLY A 44 -26.610 6.782 -6.192 1.00 0.00 N ATOM 678 CA GLY A 44 -26.120 5.620 -5.485 1.00 0.00 C ATOM 679 C GLY A 44 -26.520 5.614 -4.025 1.00 0.00 C ATOM 680 O GLY A 44 -27.623 6.037 -3.671 1.00 0.00 O ATOM 0 H GLY A 44 -27.605 6.969 -6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -26.502 4.719 -5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -25.033 5.585 -5.560 1.00 0.00 H new ATOM 684 N ASN A 45 -25.625 5.134 -3.178 1.00 0.00 N ATOM 685 CA ASN A 45 -25.887 5.067 -1.749 1.00 0.00 C ATOM 686 C ASN A 45 -25.072 6.117 -1.021 1.00 0.00 C ATOM 687 O ASN A 45 -25.512 7.252 -0.820 1.00 0.00 O ATOM 688 CB ASN A 45 -25.541 3.676 -1.199 1.00 0.00 C ATOM 689 CG ASN A 45 -26.127 2.542 -2.019 1.00 0.00 C ATOM 690 OD1 ASN A 45 -25.487 2.033 -2.940 1.00 0.00 O ATOM 691 ND2 ASN A 45 -27.341 2.141 -1.694 1.00 0.00 N ATOM 0 H ASN A 45 -24.708 4.784 -3.456 1.00 0.00 H new ATOM 0 HA ASN A 45 -26.948 5.255 -1.587 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -24.457 3.567 -1.163 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -25.903 3.598 -0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -27.783 1.382 -2.213 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -27.837 2.589 -0.924 1.00 0.00 H new ATOM 698 N ASP A 46 -23.876 5.721 -0.654 1.00 0.00 N ATOM 699 CA ASP A 46 -22.907 6.602 -0.022 1.00 0.00 C ATOM 700 C ASP A 46 -21.557 6.406 -0.689 1.00 0.00 C ATOM 701 O ASP A 46 -21.180 5.274 -0.995 1.00 0.00 O ATOM 702 CB ASP A 46 -22.777 6.296 1.478 1.00 0.00 C ATOM 703 CG ASP A 46 -23.925 6.835 2.313 1.00 0.00 C ATOM 704 OD1 ASP A 46 -23.789 7.948 2.865 1.00 0.00 O ATOM 705 OD2 ASP A 46 -24.950 6.138 2.451 1.00 0.00 O ATOM 0 H ASP A 46 -23.539 4.767 -0.785 1.00 0.00 H new ATOM 0 HA ASP A 46 -23.246 7.632 -0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -22.715 5.216 1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -21.842 6.718 1.846 1.00 0.00 H new ATOM 710 N PRO A 47 -20.827 7.504 -0.949 1.00 0.00 N ATOM 711 CA PRO A 47 -19.492 7.441 -1.551 1.00 0.00 C ATOM 712 C PRO A 47 -18.562 6.501 -0.789 1.00 0.00 C ATOM 713 O PRO A 47 -18.696 6.324 0.424 1.00 0.00 O ATOM 714 CB PRO A 47 -18.987 8.884 -1.459 1.00 0.00 C ATOM 715 CG PRO A 47 -20.221 9.717 -1.409 1.00 0.00 C ATOM 716 CD PRO A 47 -21.251 8.892 -0.687 1.00 0.00 C ATOM 0 HA PRO A 47 -19.522 7.053 -2.569 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.373 9.032 -0.570 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -18.370 9.143 -2.319 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.037 10.656 -0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -20.560 9.972 -2.413 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -21.265 9.112 0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.255 9.083 -1.065 1.00 0.00 H new ATOM 724 N TYR A 48 -17.625 5.903 -1.498 1.00 0.00 N ATOM 725 CA TYR A 48 -16.715 4.946 -0.896 1.00 0.00 C ATOM 726 C TYR A 48 -15.310 5.142 -1.437 1.00 0.00 C ATOM 727 O TYR A 48 -15.120 5.769 -2.484 1.00 0.00 O ATOM 728 CB TYR A 48 -17.200 3.509 -1.129 1.00 0.00 C ATOM 729 CG TYR A 48 -17.656 3.221 -2.544 1.00 0.00 C ATOM 730 CD1 TYR A 48 -16.767 2.766 -3.508 1.00 0.00 C ATOM 731 CD2 TYR A 48 -18.986 3.390 -2.910 1.00 0.00 C ATOM 732 CE1 TYR A 48 -17.189 2.493 -4.796 1.00 0.00 C ATOM 733 CE2 TYR A 48 -19.415 3.122 -4.194 1.00 0.00 C ATOM 734 CZ TYR A 48 -18.512 2.673 -5.134 1.00 0.00 C ATOM 735 OH TYR A 48 -18.936 2.398 -6.417 1.00 0.00 O ATOM 0 H TYR A 48 -17.473 6.063 -2.494 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.694 5.119 0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.394 2.821 -0.874 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -18.024 3.302 -0.446 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -15.729 2.623 -3.248 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -19.697 3.738 -2.176 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -16.484 2.140 -5.534 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -20.452 3.263 -4.461 1.00 0.00 H new ATOM 0 HH TYR A 48 -19.897 2.577 -6.489 1.00 0.00 H new ATOM 745 N CYS A 49 -14.331 4.616 -0.726 1.00 0.00 N ATOM 746 CA CYS A 49 -12.945 4.829 -1.081 1.00 0.00 C ATOM 747 C CYS A 49 -12.179 3.513 -1.158 1.00 0.00 C ATOM 748 O CYS A 49 -12.343 2.631 -0.312 1.00 0.00 O ATOM 749 CB CYS A 49 -12.281 5.767 -0.070 1.00 0.00 C ATOM 750 SG CYS A 49 -10.598 6.258 -0.506 1.00 0.00 S ATOM 0 H CYS A 49 -14.472 4.037 0.102 1.00 0.00 H new ATOM 0 HA CYS A 49 -12.920 5.288 -2.069 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -12.893 6.663 0.033 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.264 5.279 0.904 1.00 0.00 H new ATOM 0 HG CYS A 49 -10.435 6.154 -1.792 1.00 0.00 H new ATOM 756 N PHE A 50 -11.364 3.395 -2.199 1.00 0.00 N ATOM 757 CA PHE A 50 -10.440 2.278 -2.354 1.00 0.00 C ATOM 758 C PHE A 50 -9.021 2.770 -2.111 1.00 0.00 C ATOM 759 O PHE A 50 -8.564 3.704 -2.776 1.00 0.00 O ATOM 760 CB PHE A 50 -10.531 1.679 -3.759 1.00 0.00 C ATOM 761 CG PHE A 50 -11.858 1.063 -4.074 1.00 0.00 C ATOM 762 CD1 PHE A 50 -12.758 1.709 -4.904 1.00 0.00 C ATOM 763 CD2 PHE A 50 -12.202 -0.164 -3.539 1.00 0.00 C ATOM 764 CE1 PHE A 50 -13.981 1.140 -5.194 1.00 0.00 C ATOM 765 CE2 PHE A 50 -13.422 -0.737 -3.824 1.00 0.00 C ATOM 766 CZ PHE A 50 -14.314 -0.086 -4.654 1.00 0.00 C ATOM 0 H PHE A 50 -11.325 4.072 -2.961 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.705 1.505 -1.632 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.322 2.460 -4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.755 0.922 -3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.500 2.668 -5.329 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.508 -0.679 -2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -14.676 1.653 -5.842 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.681 -1.695 -3.398 1.00 0.00 H new ATOM 0 HZ PHE A 50 -15.270 -0.535 -4.880 1.00 0.00 H new ATOM 776 N VAL A 51 -8.333 2.170 -1.155 1.00 0.00 N ATOM 777 CA VAL A 51 -6.974 2.583 -0.840 1.00 0.00 C ATOM 778 C VAL A 51 -5.991 1.442 -1.074 1.00 0.00 C ATOM 779 O VAL A 51 -6.138 0.358 -0.503 1.00 0.00 O ATOM 780 CB VAL A 51 -6.853 3.073 0.621 1.00 0.00 C ATOM 781 CG1 VAL A 51 -5.478 3.670 0.874 1.00 0.00 C ATOM 782 CG2 VAL A 51 -7.943 4.083 0.946 1.00 0.00 C ATOM 0 H VAL A 51 -8.688 1.401 -0.587 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.730 3.411 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.980 2.213 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.413 4.009 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.714 2.914 0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.320 4.515 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.837 4.413 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.854 4.941 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.920 3.619 0.812 1.00 0.00 H new ATOM 792 N GLU A 52 -4.999 1.687 -1.922 1.00 0.00 N ATOM 793 CA GLU A 52 -3.966 0.696 -2.200 1.00 0.00 C ATOM 794 C GLU A 52 -2.825 0.803 -1.198 1.00 0.00 C ATOM 795 O GLU A 52 -2.119 1.814 -1.152 1.00 0.00 O ATOM 796 CB GLU A 52 -3.403 0.863 -3.613 1.00 0.00 C ATOM 797 CG GLU A 52 -3.912 -0.163 -4.614 1.00 0.00 C ATOM 798 CD GLU A 52 -5.312 0.129 -5.111 1.00 0.00 C ATOM 799 OE1 GLU A 52 -5.443 0.848 -6.124 1.00 0.00 O ATOM 800 OE2 GLU A 52 -6.280 -0.376 -4.515 1.00 0.00 O ATOM 0 H GLU A 52 -4.888 2.565 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.433 -0.285 -2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.651 1.861 -3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.316 0.801 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.232 -0.199 -5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.896 -1.150 -4.152 1.00 0.00 H new ATOM 807 N PHE A 53 -2.649 -0.235 -0.401 1.00 0.00 N ATOM 808 CA PHE A 53 -1.537 -0.309 0.533 1.00 0.00 C ATOM 809 C PHE A 53 -0.423 -1.154 -0.071 1.00 0.00 C ATOM 810 O PHE A 53 -0.671 -2.254 -0.559 1.00 0.00 O ATOM 811 CB PHE A 53 -1.989 -0.927 1.860 1.00 0.00 C ATOM 812 CG PHE A 53 -2.988 -0.097 2.623 1.00 0.00 C ATOM 813 CD1 PHE A 53 -2.626 0.525 3.807 1.00 0.00 C ATOM 814 CD2 PHE A 53 -4.286 0.055 2.164 1.00 0.00 C ATOM 815 CE1 PHE A 53 -3.537 1.281 4.516 1.00 0.00 C ATOM 816 CE2 PHE A 53 -5.200 0.811 2.869 1.00 0.00 C ATOM 817 CZ PHE A 53 -4.825 1.422 4.046 1.00 0.00 C ATOM 0 H PHE A 53 -3.267 -1.046 -0.381 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.172 0.700 0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.424 -1.906 1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.113 -1.089 2.489 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.618 0.417 4.180 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.586 -0.424 1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.241 1.761 5.437 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.208 0.924 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.540 2.011 4.600 1.00 0.00 H new ATOM 827 N HIS A 54 0.803 -0.629 -0.036 1.00 0.00 N ATOM 828 CA HIS A 54 1.964 -1.330 -0.601 1.00 0.00 C ATOM 829 C HIS A 54 2.195 -2.668 0.092 1.00 0.00 C ATOM 830 O HIS A 54 2.672 -3.620 -0.520 1.00 0.00 O ATOM 831 CB HIS A 54 3.238 -0.490 -0.475 1.00 0.00 C ATOM 832 CG HIS A 54 3.328 0.666 -1.424 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.793 0.547 -2.714 1.00 0.00 N ATOM 834 CD2 HIS A 54 3.054 1.979 -1.249 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.801 1.733 -3.288 1.00 0.00 C ATOM 836 NE2 HIS A 54 3.359 2.624 -2.420 1.00 0.00 N ATOM 0 H HIS A 54 1.021 0.278 0.377 1.00 0.00 H new ATOM 0 HA HIS A 54 1.743 -1.499 -1.655 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.306 -0.110 0.545 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.100 -1.138 -0.632 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.666 2.436 -0.351 1.00 0.00 H new ATOM 0 HE1 HIS A 54 4.116 1.941 -4.300 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.261 3.625 -2.592 1.00 0.00 H new ATOM 845 N GLU A 55 1.853 -2.723 1.371 1.00 0.00 N ATOM 846 CA GLU A 55 2.060 -3.917 2.179 1.00 0.00 C ATOM 847 C GLU A 55 0.735 -4.420 2.739 1.00 0.00 C ATOM 848 O GLU A 55 -0.073 -3.646 3.257 1.00 0.00 O ATOM 849 CB GLU A 55 3.043 -3.625 3.312 1.00 0.00 C ATOM 850 CG GLU A 55 4.404 -4.277 3.124 1.00 0.00 C ATOM 851 CD GLU A 55 4.328 -5.789 3.182 1.00 0.00 C ATOM 852 OE1 GLU A 55 3.986 -6.329 4.255 1.00 0.00 O ATOM 853 OE2 GLU A 55 4.609 -6.445 2.154 1.00 0.00 O ATOM 0 H GLU A 55 1.427 -1.946 1.876 1.00 0.00 H new ATOM 0 HA GLU A 55 2.482 -4.697 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.175 -2.546 3.397 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.612 -3.969 4.252 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.821 -3.973 2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.086 -3.919 3.896 1.00 0.00 H new ATOM 860 N HIS A 56 0.531 -5.725 2.632 1.00 0.00 N ATOM 861 CA HIS A 56 -0.722 -6.358 3.020 1.00 0.00 C ATOM 862 C HIS A 56 -0.832 -6.518 4.536 1.00 0.00 C ATOM 863 O HIS A 56 -1.935 -6.545 5.081 1.00 0.00 O ATOM 864 CB HIS A 56 -0.839 -7.725 2.328 1.00 0.00 C ATOM 865 CG HIS A 56 -2.010 -8.550 2.773 1.00 0.00 C ATOM 866 ND1 HIS A 56 -3.320 -8.176 2.569 1.00 0.00 N ATOM 867 CD2 HIS A 56 -2.059 -9.743 3.411 1.00 0.00 C ATOM 868 CE1 HIS A 56 -4.121 -9.103 3.061 1.00 0.00 C ATOM 869 NE2 HIS A 56 -3.383 -10.066 3.577 1.00 0.00 N ATOM 0 H HIS A 56 1.230 -6.376 2.273 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.542 -5.714 2.703 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.909 -7.568 1.252 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.076 -8.289 2.509 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.212 -10.332 3.731 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -5.201 -9.077 3.044 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -3.737 -10.911 4.025 1.00 0.00 H new ATOM 878 N ARG A 57 0.302 -6.627 5.208 1.00 0.00 N ATOM 879 CA ARG A 57 0.319 -6.879 6.643 1.00 0.00 C ATOM 880 C ARG A 57 -0.307 -5.723 7.421 1.00 0.00 C ATOM 881 O ARG A 57 -1.166 -5.934 8.279 1.00 0.00 O ATOM 882 CB ARG A 57 1.747 -7.121 7.122 1.00 0.00 C ATOM 883 CG ARG A 57 1.827 -7.595 8.561 1.00 0.00 C ATOM 884 CD ARG A 57 3.260 -7.851 8.981 1.00 0.00 C ATOM 885 NE ARG A 57 3.906 -8.861 8.147 1.00 0.00 N ATOM 886 CZ ARG A 57 5.223 -8.932 7.962 1.00 0.00 C ATOM 887 NH1 ARG A 57 6.023 -8.041 8.539 1.00 0.00 N ATOM 888 NH2 ARG A 57 5.742 -9.890 7.209 1.00 0.00 N ATOM 0 H ARG A 57 1.226 -6.545 4.783 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.277 -7.772 6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.218 -7.862 6.476 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.318 -6.199 7.019 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.382 -6.847 9.217 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.244 -8.508 8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.825 -6.921 8.926 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.280 -8.174 10.022 1.00 0.00 H new ATOM 0 HE ARG A 57 3.316 -9.550 7.681 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.628 -7.304 9.123 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.032 -8.095 8.398 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.132 -10.578 6.767 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.751 -9.940 7.071 1.00 0.00 H new ATOM 902 N HIS A 58 0.088 -4.499 7.096 1.00 0.00 N ATOM 903 CA HIS A 58 -0.393 -3.333 7.831 1.00 0.00 C ATOM 904 C HIS A 58 -1.818 -2.989 7.409 1.00 0.00 C ATOM 905 O HIS A 58 -2.481 -2.168 8.030 1.00 0.00 O ATOM 906 CB HIS A 58 0.548 -2.124 7.656 1.00 0.00 C ATOM 907 CG HIS A 58 0.592 -1.565 6.276 1.00 0.00 C ATOM 908 ND1 HIS A 58 1.742 -1.464 5.527 1.00 0.00 N ATOM 909 CD2 HIS A 58 -0.392 -1.053 5.524 1.00 0.00 C ATOM 910 CE1 HIS A 58 1.457 -0.907 4.368 1.00 0.00 C ATOM 911 NE2 HIS A 58 0.166 -0.644 4.338 1.00 0.00 N ATOM 0 H HIS A 58 0.734 -4.287 6.336 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.400 -3.583 8.892 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.237 -1.337 8.343 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.556 -2.420 7.946 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.668 -1.772 5.823 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -1.433 -0.976 5.800 1.00 0.00 H new ATOM 0 HE1 HIS A 58 2.162 -0.701 3.576 1.00 0.00 H new ATOM 920 N ALA A 59 -2.284 -3.639 6.354 1.00 0.00 N ATOM 921 CA ALA A 59 -3.631 -3.419 5.853 1.00 0.00 C ATOM 922 C ALA A 59 -4.662 -3.855 6.892 1.00 0.00 C ATOM 923 O ALA A 59 -5.744 -3.280 7.002 1.00 0.00 O ATOM 924 CB ALA A 59 -3.817 -4.168 4.544 1.00 0.00 C ATOM 0 H ALA A 59 -1.746 -4.326 5.826 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.779 -2.355 5.666 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.827 -4.002 4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.095 -3.806 3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.662 -5.234 4.710 1.00 0.00 H new ATOM 930 N ALA A 60 -4.294 -4.860 7.676 1.00 0.00 N ATOM 931 CA ALA A 60 -5.146 -5.357 8.747 1.00 0.00 C ATOM 932 C ALA A 60 -5.173 -4.372 9.910 1.00 0.00 C ATOM 933 O ALA A 60 -6.161 -4.270 10.638 1.00 0.00 O ATOM 934 CB ALA A 60 -4.635 -6.704 9.221 1.00 0.00 C ATOM 0 H ALA A 60 -3.404 -5.350 7.588 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.161 -5.469 8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.274 -7.074 10.023 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.648 -7.411 8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.615 -6.597 9.590 1.00 0.00 H new ATOM 940 N ALA A 61 -4.075 -3.645 10.071 1.00 0.00 N ATOM 941 CA ALA A 61 -3.932 -2.689 11.159 1.00 0.00 C ATOM 942 C ALA A 61 -4.891 -1.519 10.983 1.00 0.00 C ATOM 943 O ALA A 61 -5.470 -1.028 11.953 1.00 0.00 O ATOM 944 CB ALA A 61 -2.497 -2.194 11.231 1.00 0.00 C ATOM 0 H ALA A 61 -3.264 -3.701 9.455 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.180 -3.190 12.095 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.399 -1.479 12.048 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.829 -3.038 11.405 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.232 -1.710 10.291 1.00 0.00 H new ATOM 950 N ALA A 62 -5.060 -1.088 9.740 1.00 0.00 N ATOM 951 CA ALA A 62 -5.956 0.017 9.428 1.00 0.00 C ATOM 952 C ALA A 62 -7.408 -0.431 9.511 1.00 0.00 C ATOM 953 O ALA A 62 -8.280 0.319 9.952 1.00 0.00 O ATOM 954 CB ALA A 62 -5.647 0.570 8.044 1.00 0.00 C ATOM 0 H ALA A 62 -4.587 -1.488 8.930 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.800 0.808 10.162 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.324 1.395 7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.618 0.927 8.016 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.778 -0.216 7.300 1.00 0.00 H new ATOM 960 N LEU A 63 -7.657 -1.669 9.095 1.00 0.00 N ATOM 961 CA LEU A 63 -9.003 -2.230 9.112 1.00 0.00 C ATOM 962 C LEU A 63 -9.605 -2.167 10.511 1.00 0.00 C ATOM 963 O LEU A 63 -10.641 -1.547 10.726 1.00 0.00 O ATOM 964 CB LEU A 63 -8.983 -3.688 8.644 1.00 0.00 C ATOM 965 CG LEU A 63 -10.359 -4.347 8.529 1.00 0.00 C ATOM 966 CD1 LEU A 63 -10.962 -4.083 7.164 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.266 -5.837 8.795 1.00 0.00 C ATOM 0 H LEU A 63 -6.942 -2.304 8.741 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.615 -1.635 8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.491 -3.736 7.672 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.375 -4.269 9.338 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.012 -3.909 9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.940 -4.559 7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.071 -3.009 7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.309 -4.491 6.393 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.256 -6.285 8.708 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.595 -6.295 8.068 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.880 -6.004 9.801 1.00 0.00 H new ATOM 979 N ALA A 64 -8.918 -2.780 11.462 1.00 0.00 N ATOM 980 CA ALA A 64 -9.446 -2.953 12.810 1.00 0.00 C ATOM 981 C ALA A 64 -9.498 -1.637 13.581 1.00 0.00 C ATOM 982 O ALA A 64 -10.165 -1.538 14.612 1.00 0.00 O ATOM 983 CB ALA A 64 -8.610 -3.975 13.562 1.00 0.00 C ATOM 0 H ALA A 64 -7.985 -3.170 11.325 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.471 -3.313 12.722 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.008 -4.101 14.569 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.643 -4.929 13.037 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.578 -3.629 13.621 1.00 0.00 H new ATOM 989 N ALA A 65 -8.801 -0.630 13.082 1.00 0.00 N ATOM 990 CA ALA A 65 -8.754 0.658 13.752 1.00 0.00 C ATOM 991 C ALA A 65 -9.853 1.591 13.248 1.00 0.00 C ATOM 992 O ALA A 65 -10.583 2.191 14.040 1.00 0.00 O ATOM 993 CB ALA A 65 -7.387 1.299 13.571 1.00 0.00 C ATOM 0 H ALA A 65 -8.261 -0.679 12.218 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.926 0.488 14.815 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.367 2.263 14.079 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.622 0.650 13.996 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.191 1.444 12.509 1.00 0.00 H new ATOM 999 N MET A 66 -9.983 1.696 11.931 1.00 0.00 N ATOM 1000 CA MET A 66 -10.891 2.671 11.332 1.00 0.00 C ATOM 1001 C MET A 66 -12.301 2.115 11.156 1.00 0.00 C ATOM 1002 O MET A 66 -13.261 2.878 11.093 1.00 0.00 O ATOM 1003 CB MET A 66 -10.350 3.163 9.981 1.00 0.00 C ATOM 1004 CG MET A 66 -9.184 4.139 10.095 1.00 0.00 C ATOM 1005 SD MET A 66 -7.695 3.386 10.783 1.00 0.00 S ATOM 1006 CE MET A 66 -6.614 4.807 10.890 1.00 0.00 C ATOM 0 H MET A 66 -9.475 1.122 11.259 1.00 0.00 H new ATOM 0 HA MET A 66 -10.950 3.512 12.023 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.033 2.302 9.394 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.159 3.643 9.431 1.00 0.00 H new ATOM 0 HG2 MET A 66 -8.957 4.542 9.108 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.482 4.980 10.722 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.784 4.583 11.560 1.00 0.00 H new ATOM 0 HE2 MET A 66 -6.227 5.045 9.899 1.00 0.00 H new ATOM 0 HE3 MET A 66 -7.172 5.660 11.277 1.00 0.00 H new ATOM 1016 N ASN A 67 -12.430 0.797 11.084 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.729 0.174 10.842 1.00 0.00 C ATOM 1018 C ASN A 67 -14.708 0.492 11.964 1.00 0.00 C ATOM 1019 O ASN A 67 -14.447 0.194 13.131 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.587 -1.340 10.704 1.00 0.00 C ATOM 1021 CG ASN A 67 -14.895 -2.017 10.345 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.745 -1.438 9.666 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -15.070 -3.243 10.810 1.00 0.00 N ATOM 0 H ASN A 67 -11.657 0.140 11.189 1.00 0.00 H new ATOM 0 HA ASN A 67 -14.118 0.583 9.910 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.844 -1.563 9.938 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.213 -1.753 11.641 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -15.935 -3.746 10.610 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.340 -3.686 11.368 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.822 1.119 11.606 1.00 0.00 N ATOM 1031 CA GLY A 68 -16.868 1.382 12.569 1.00 0.00 C ATOM 1032 C GLY A 68 -16.651 2.665 13.343 1.00 0.00 C ATOM 1033 O GLY A 68 -17.335 2.915 14.336 1.00 0.00 O ATOM 0 H GLY A 68 -16.018 1.450 10.661 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.826 1.434 12.051 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.928 0.548 13.268 1.00 0.00 H new ATOM 1037 N ARG A 69 -15.696 3.478 12.909 1.00 0.00 N ATOM 1038 CA ARG A 69 -15.375 4.700 13.629 1.00 0.00 C ATOM 1039 C ARG A 69 -16.248 5.853 13.145 1.00 0.00 C ATOM 1040 O ARG A 69 -16.535 5.976 11.953 1.00 0.00 O ATOM 1041 CB ARG A 69 -13.891 5.050 13.471 1.00 0.00 C ATOM 1042 CG ARG A 69 -13.443 6.168 14.397 1.00 0.00 C ATOM 1043 CD ARG A 69 -11.949 6.423 14.310 1.00 0.00 C ATOM 1044 NE ARG A 69 -11.529 7.441 15.269 1.00 0.00 N ATOM 1045 CZ ARG A 69 -10.414 8.161 15.165 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -9.567 7.956 14.161 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -10.139 9.081 16.077 1.00 0.00 N ATOM 0 H ARG A 69 -15.137 3.315 12.072 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.577 4.534 14.687 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.291 4.161 13.667 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.700 5.343 12.438 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.981 7.082 14.146 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.707 5.914 15.424 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -11.408 5.496 14.500 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.690 6.742 13.300 1.00 0.00 H new ATOM 0 HE ARG A 69 -12.131 7.612 16.074 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.769 7.242 13.461 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.715 8.513 14.090 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.780 9.236 16.855 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -9.286 9.635 16.001 1.00 0.00 H new ATOM 1061 N LYS A 70 -16.680 6.681 14.084 1.00 0.00 N ATOM 1062 CA LYS A 70 -17.502 7.840 13.775 1.00 0.00 C ATOM 1063 C LYS A 70 -16.636 8.989 13.265 1.00 0.00 C ATOM 1064 O LYS A 70 -15.860 9.579 14.021 1.00 0.00 O ATOM 1065 CB LYS A 70 -18.260 8.272 15.030 1.00 0.00 C ATOM 1066 CG LYS A 70 -19.204 9.442 14.820 1.00 0.00 C ATOM 1067 CD LYS A 70 -20.372 9.072 13.925 1.00 0.00 C ATOM 1068 CE LYS A 70 -21.405 10.180 13.893 1.00 0.00 C ATOM 1069 NZ LYS A 70 -21.921 10.494 15.250 1.00 0.00 N ATOM 0 H LYS A 70 -16.472 6.569 15.076 1.00 0.00 H new ATOM 0 HA LYS A 70 -18.213 7.574 12.993 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -18.831 7.423 15.405 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.538 8.537 15.803 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -19.580 9.783 15.785 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -18.657 10.275 14.378 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -20.013 8.876 12.915 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -20.832 8.151 14.284 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -20.964 11.076 13.456 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -22.233 9.886 13.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -22.841 10.972 15.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -22.035 9.613 15.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.249 11.117 15.741 1.00 0.00 H new ATOM 1083 N ILE A 71 -16.769 9.303 11.985 1.00 0.00 N ATOM 1084 CA ILE A 71 -15.982 10.366 11.375 1.00 0.00 C ATOM 1085 C ILE A 71 -16.892 11.448 10.800 1.00 0.00 C ATOM 1086 O ILE A 71 -17.780 11.161 9.995 1.00 0.00 O ATOM 1087 CB ILE A 71 -15.051 9.820 10.265 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -14.071 8.796 10.854 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -14.293 10.958 9.591 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -13.126 8.196 9.832 1.00 0.00 C ATOM 0 H ILE A 71 -17.415 8.837 11.348 1.00 0.00 H new ATOM 0 HA ILE A 71 -15.361 10.800 12.159 1.00 0.00 H new ATOM 0 HB ILE A 71 -15.663 9.325 9.511 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -13.486 9.276 11.638 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -14.638 7.994 11.326 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.644 10.553 8.814 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -15.003 11.654 9.145 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.689 11.482 10.332 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.465 7.482 10.323 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.702 7.686 9.060 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.531 8.988 9.377 1.00 0.00 H new ATOM 1102 N MET A 72 -16.671 12.685 11.253 1.00 0.00 N ATOM 1103 CA MET A 72 -17.420 13.861 10.800 1.00 0.00 C ATOM 1104 C MET A 72 -18.869 13.808 11.270 1.00 0.00 C ATOM 1105 O MET A 72 -19.227 14.448 12.260 1.00 0.00 O ATOM 1106 CB MET A 72 -17.355 14.023 9.276 1.00 0.00 C ATOM 1107 CG MET A 72 -15.954 14.276 8.749 1.00 0.00 C ATOM 1108 SD MET A 72 -15.169 15.697 9.528 1.00 0.00 S ATOM 1109 CE MET A 72 -13.583 15.709 8.696 1.00 0.00 C ATOM 0 H MET A 72 -15.960 12.901 11.952 1.00 0.00 H new ATOM 0 HA MET A 72 -16.946 14.734 11.249 1.00 0.00 H new ATOM 0 HB2 MET A 72 -17.753 13.124 8.806 1.00 0.00 H new ATOM 0 HB3 MET A 72 -18.000 14.850 8.979 1.00 0.00 H new ATOM 0 HG2 MET A 72 -15.341 13.390 8.916 1.00 0.00 H new ATOM 0 HG3 MET A 72 -15.998 14.435 7.672 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.866 16.277 9.289 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.227 14.686 8.577 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.690 16.172 7.715 1.00 0.00 H new ATOM 1119 N GLY A 73 -19.691 13.044 10.569 1.00 0.00 N ATOM 1120 CA GLY A 73 -21.077 12.880 10.954 1.00 0.00 C ATOM 1121 C GLY A 73 -21.628 11.556 10.481 1.00 0.00 C ATOM 1122 O GLY A 73 -22.842 11.377 10.371 1.00 0.00 O ATOM 0 H GLY A 73 -19.420 12.529 9.731 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -21.165 12.946 12.038 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -21.671 13.693 10.536 1.00 0.00 H new ATOM 1126 N LYS A 74 -20.725 10.624 10.194 1.00 0.00 N ATOM 1127 CA LYS A 74 -21.110 9.321 9.671 1.00 0.00 C ATOM 1128 C LYS A 74 -20.253 8.216 10.261 1.00 0.00 C ATOM 1129 O LYS A 74 -19.151 8.459 10.753 1.00 0.00 O ATOM 1130 CB LYS A 74 -20.976 9.292 8.148 1.00 0.00 C ATOM 1131 CG LYS A 74 -22.023 10.111 7.420 1.00 0.00 C ATOM 1132 CD LYS A 74 -23.404 9.489 7.534 1.00 0.00 C ATOM 1133 CE LYS A 74 -23.968 9.145 6.165 1.00 0.00 C ATOM 1134 NZ LYS A 74 -23.122 8.154 5.449 1.00 0.00 N ATOM 0 H LYS A 74 -19.720 10.749 10.316 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.150 9.153 9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.987 9.659 7.874 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -21.037 8.258 7.808 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.044 11.121 7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -21.749 10.199 6.369 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -23.350 8.588 8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -24.076 10.180 8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -24.977 8.747 6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -24.048 10.053 5.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -23.636 7.794 4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -22.240 8.610 5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -22.898 7.364 6.087 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.782 7.008 10.215 1.00 0.00 N ATOM 1149 CA GLU A 75 -20.037 5.829 10.614 1.00 0.00 C ATOM 1150 C GLU A 75 -19.389 5.204 9.388 1.00 0.00 C ATOM 1151 O GLU A 75 -20.082 4.836 8.436 1.00 0.00 O ATOM 1152 CB GLU A 75 -20.964 4.815 11.289 1.00 0.00 C ATOM 1153 CG GLU A 75 -20.257 3.549 11.747 1.00 0.00 C ATOM 1154 CD GLU A 75 -21.223 2.497 12.246 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -21.590 2.538 13.440 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -21.631 1.625 11.444 1.00 0.00 O ATOM 0 H GLU A 75 -21.734 6.817 9.902 1.00 0.00 H new ATOM 0 HA GLU A 75 -19.265 6.119 11.327 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -21.439 5.287 12.149 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -21.760 4.545 10.594 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -19.676 3.141 10.920 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -19.552 3.797 12.541 1.00 0.00 H new ATOM 1163 N VAL A 76 -18.071 5.111 9.402 1.00 0.00 N ATOM 1164 CA VAL A 76 -17.342 4.520 8.291 1.00 0.00 C ATOM 1165 C VAL A 76 -17.265 3.010 8.447 1.00 0.00 C ATOM 1166 O VAL A 76 -17.299 2.484 9.561 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.913 5.082 8.178 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -15.939 6.593 8.024 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -15.089 4.672 9.387 1.00 0.00 C ATOM 0 H VAL A 76 -17.483 5.437 10.169 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.889 4.774 7.383 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.445 4.664 7.287 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.919 6.968 7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.493 6.857 7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.424 7.039 8.892 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.081 5.076 9.294 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.554 5.061 10.293 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.040 3.584 9.442 1.00 0.00 H new ATOM 1179 N LYS A 77 -17.158 2.313 7.332 1.00 0.00 N ATOM 1180 CA LYS A 77 -17.054 0.865 7.346 1.00 0.00 C ATOM 1181 C LYS A 77 -15.888 0.422 6.487 1.00 0.00 C ATOM 1182 O LYS A 77 -15.769 0.839 5.335 1.00 0.00 O ATOM 1183 CB LYS A 77 -18.351 0.241 6.841 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.561 0.618 7.675 1.00 0.00 C ATOM 1185 CD LYS A 77 -20.837 0.056 7.077 1.00 0.00 C ATOM 1186 CE LYS A 77 -22.057 0.398 7.918 1.00 0.00 C ATOM 1187 NZ LYS A 77 -21.996 -0.219 9.268 1.00 0.00 N ATOM 0 H LYS A 77 -17.141 2.728 6.400 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.883 0.532 8.369 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.518 0.551 5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.246 -0.844 6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.437 0.243 8.691 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.635 1.703 7.743 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.969 0.449 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.750 -1.027 6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -22.136 1.481 8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.957 0.059 7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.890 -0.713 9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.209 -0.898 9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.846 0.522 9.982 1.00 0.00 H new ATOM 1201 N VAL A 78 -15.026 -0.407 7.051 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.843 -0.864 6.343 1.00 0.00 C ATOM 1203 C VAL A 78 -13.888 -2.375 6.152 1.00 0.00 C ATOM 1204 O VAL A 78 -14.021 -3.131 7.116 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.541 -0.487 7.086 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -11.335 -0.699 6.185 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.592 0.951 7.581 1.00 0.00 C ATOM 0 H VAL A 78 -15.123 -0.777 7.997 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.841 -0.366 5.374 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.445 -1.139 7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.427 -0.429 6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.283 -1.746 5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.430 -0.074 5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.664 1.190 8.100 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.717 1.624 6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.432 1.071 8.266 1.00 0.00 H new ATOM 1217 N ASN A 79 -13.801 -2.800 4.905 1.00 0.00 N ATOM 1218 CA ASN A 79 -13.774 -4.217 4.569 1.00 0.00 C ATOM 1219 C ASN A 79 -12.639 -4.486 3.594 1.00 0.00 C ATOM 1220 O ASN A 79 -12.075 -3.558 3.015 1.00 0.00 O ATOM 1221 CB ASN A 79 -15.102 -4.651 3.939 1.00 0.00 C ATOM 1222 CG ASN A 79 -16.274 -4.549 4.895 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -16.938 -3.514 4.979 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -16.541 -5.619 5.630 1.00 0.00 N ATOM 0 H ASN A 79 -13.747 -2.178 4.098 1.00 0.00 H new ATOM 0 HA ASN A 79 -13.620 -4.788 5.484 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.301 -4.034 3.063 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.013 -5.680 3.591 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -17.317 -5.603 6.291 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -15.970 -6.459 5.534 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.290 -5.748 3.424 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.270 -6.127 2.465 1.00 0.00 C ATOM 1233 C TRP A 80 -11.855 -6.180 1.060 1.00 0.00 C ATOM 1234 O TRP A 80 -12.695 -7.030 0.765 1.00 0.00 O ATOM 1235 CB TRP A 80 -10.670 -7.483 2.827 1.00 0.00 C ATOM 1236 CG TRP A 80 -9.922 -7.480 4.125 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -9.312 -6.413 4.716 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -9.694 -8.601 4.986 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -8.722 -6.800 5.894 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -8.943 -8.139 6.082 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -10.056 -9.949 4.940 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -8.546 -8.975 7.123 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -9.659 -10.780 5.971 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -8.912 -10.291 7.049 1.00 0.00 C ATOM 0 H TRP A 80 -12.699 -6.528 3.938 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.481 -5.375 2.493 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -11.469 -8.222 2.879 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -9.997 -7.798 2.030 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -9.295 -5.410 4.316 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -8.204 -6.190 6.526 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -10.635 -10.335 4.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -7.971 -8.599 7.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -9.930 -11.825 5.944 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -8.618 -10.967 7.839 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.421 -5.267 0.201 1.00 0.00 N ATOM 1256 CA ALA A 81 -11.878 -5.253 -1.180 1.00 0.00 C ATOM 1257 C ALA A 81 -11.185 -6.361 -1.961 1.00 0.00 C ATOM 1258 O ALA A 81 -10.082 -6.188 -2.484 1.00 0.00 O ATOM 1259 CB ALA A 81 -11.628 -3.893 -1.818 1.00 0.00 C ATOM 0 H ALA A 81 -10.756 -4.530 0.436 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.953 -5.432 -1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.977 -3.906 -2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.167 -3.126 -1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.561 -3.673 -1.799 1.00 0.00 H new ATOM 1265 N THR A 82 -11.829 -7.512 -2.004 1.00 0.00 N ATOM 1266 CA THR A 82 -11.268 -8.677 -2.649 1.00 0.00 C ATOM 1267 C THR A 82 -11.809 -8.856 -4.052 1.00 0.00 C ATOM 1268 O THR A 82 -12.977 -8.569 -4.322 1.00 0.00 O ATOM 1269 CB THR A 82 -11.578 -9.947 -1.848 1.00 0.00 C ATOM 1270 OG1 THR A 82 -12.965 -9.967 -1.482 1.00 0.00 O ATOM 1271 CG2 THR A 82 -10.719 -10.034 -0.597 1.00 0.00 C ATOM 0 H THR A 82 -12.751 -7.662 -1.594 1.00 0.00 H new ATOM 0 HA THR A 82 -10.191 -8.518 -2.697 1.00 0.00 H new ATOM 0 HB THR A 82 -11.352 -10.807 -2.479 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.157 -10.782 -0.972 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.963 -10.945 -0.051 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.666 -10.050 -0.879 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.911 -9.169 0.037 1.00 0.00 H new ATOM 1279 N THR A 83 -10.954 -9.315 -4.945 1.00 0.00 N ATOM 1280 CA THR A 83 -11.390 -9.733 -6.256 1.00 0.00 C ATOM 1281 C THR A 83 -11.590 -11.246 -6.263 1.00 0.00 C ATOM 1282 O THR A 83 -10.624 -12.011 -6.253 1.00 0.00 O ATOM 1283 CB THR A 83 -10.381 -9.318 -7.346 1.00 0.00 C ATOM 1284 OG1 THR A 83 -10.152 -7.903 -7.284 1.00 0.00 O ATOM 1285 CG2 THR A 83 -10.889 -9.689 -8.731 1.00 0.00 C ATOM 0 H THR A 83 -9.951 -9.407 -4.782 1.00 0.00 H new ATOM 0 HA THR A 83 -12.335 -9.238 -6.481 1.00 0.00 H new ATOM 0 HB THR A 83 -9.448 -9.851 -7.165 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.509 -7.645 -7.977 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.158 -9.385 -9.480 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.039 -10.767 -8.787 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.835 -9.181 -8.920 1.00 0.00 H new ATOM 1293 N PRO A 84 -12.854 -11.695 -6.246 1.00 0.00 N ATOM 1294 CA PRO A 84 -13.195 -13.112 -6.185 1.00 0.00 C ATOM 1295 C PRO A 84 -12.927 -13.828 -7.505 1.00 0.00 C ATOM 1296 O PRO A 84 -13.835 -14.029 -8.312 1.00 0.00 O ATOM 1297 CB PRO A 84 -14.699 -13.123 -5.863 1.00 0.00 C ATOM 1298 CG PRO A 84 -15.067 -11.703 -5.573 1.00 0.00 C ATOM 1299 CD PRO A 84 -14.056 -10.856 -6.287 1.00 0.00 C ATOM 0 HA PRO A 84 -12.592 -13.637 -5.444 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.275 -13.512 -6.702 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.910 -13.764 -5.007 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.076 -11.483 -5.922 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.051 -11.508 -4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.362 -10.634 -7.310 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -13.901 -9.900 -5.786 1.00 0.00 H new ATOM 1307 N SER A 85 -11.678 -14.204 -7.724 1.00 0.00 N ATOM 1308 CA SER A 85 -11.303 -14.923 -8.928 1.00 0.00 C ATOM 1309 C SER A 85 -11.635 -16.406 -8.770 1.00 0.00 C ATOM 1310 O SER A 85 -10.748 -17.258 -8.688 1.00 0.00 O ATOM 1311 CB SER A 85 -9.812 -14.727 -9.222 1.00 0.00 C ATOM 1312 OG SER A 85 -9.493 -15.100 -10.554 1.00 0.00 O ATOM 0 H SER A 85 -10.906 -14.023 -7.082 1.00 0.00 H new ATOM 0 HA SER A 85 -11.869 -14.528 -9.771 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.542 -13.683 -9.060 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.221 -15.321 -8.525 1.00 0.00 H new ATOM 0 HG SER A 85 -8.536 -14.962 -10.712 1.00 0.00 H new ATOM 1318 N SER A 86 -12.926 -16.702 -8.721 1.00 0.00 N ATOM 1319 CA SER A 86 -13.405 -18.067 -8.559 1.00 0.00 C ATOM 1320 C SER A 86 -13.476 -18.785 -9.905 1.00 0.00 C ATOM 1321 O SER A 86 -14.261 -19.720 -10.089 1.00 0.00 O ATOM 1322 CB SER A 86 -14.778 -18.046 -7.889 1.00 0.00 C ATOM 1323 OG SER A 86 -15.588 -17.019 -8.441 1.00 0.00 O ATOM 0 H SER A 86 -13.668 -16.006 -8.792 1.00 0.00 H new ATOM 0 HA SER A 86 -12.704 -18.614 -7.929 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.267 -19.012 -8.019 1.00 0.00 H new ATOM 0 HB3 SER A 86 -14.663 -17.889 -6.817 1.00 0.00 H new ATOM 0 HG SER A 86 -16.464 -17.021 -8.001 1.00 0.00 H new ATOM 1329 N GLN A 87 -12.638 -18.358 -10.839 1.00 0.00 N ATOM 1330 CA GLN A 87 -12.613 -18.937 -12.171 1.00 0.00 C ATOM 1331 C GLN A 87 -11.689 -20.149 -12.205 1.00 0.00 C ATOM 1332 O GLN A 87 -10.751 -20.217 -12.997 1.00 0.00 O ATOM 1333 CB GLN A 87 -12.183 -17.888 -13.200 1.00 0.00 C ATOM 1334 CG GLN A 87 -13.134 -16.700 -13.292 1.00 0.00 C ATOM 1335 CD GLN A 87 -14.492 -17.064 -13.876 1.00 0.00 C ATOM 1336 OE1 GLN A 87 -14.958 -18.199 -13.759 1.00 0.00 O ATOM 1337 NE2 GLN A 87 -15.142 -16.098 -14.504 1.00 0.00 N ATOM 0 H GLN A 87 -11.963 -17.607 -10.695 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.618 -19.271 -12.428 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -11.187 -17.527 -12.944 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.109 -18.361 -14.179 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.275 -16.277 -12.297 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.678 -15.924 -13.906 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.726 -15.170 -14.582 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.059 -16.281 -14.910 1.00 0.00 H new ATOM 1346 N LYS A 88 -11.968 -21.096 -11.323 1.00 0.00 N ATOM 1347 CA LYS A 88 -11.225 -22.344 -11.240 1.00 0.00 C ATOM 1348 C LYS A 88 -11.998 -23.321 -10.364 1.00 0.00 C ATOM 1349 O LYS A 88 -11.815 -23.364 -9.144 1.00 0.00 O ATOM 1350 CB LYS A 88 -9.821 -22.109 -10.667 1.00 0.00 C ATOM 1351 CG LYS A 88 -8.964 -23.366 -10.621 1.00 0.00 C ATOM 1352 CD LYS A 88 -7.593 -23.095 -10.019 1.00 0.00 C ATOM 1353 CE LYS A 88 -6.745 -22.200 -10.913 1.00 0.00 C ATOM 1354 NZ LYS A 88 -5.380 -21.998 -10.358 1.00 0.00 N ATOM 0 H LYS A 88 -12.722 -21.020 -10.640 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.109 -22.759 -12.241 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.314 -21.355 -11.269 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.912 -21.704 -9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.473 -24.131 -10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.846 -23.762 -11.630 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.712 -22.624 -9.043 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.075 -24.040 -9.856 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.672 -22.643 -11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.236 -21.234 -11.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.834 -21.384 -10.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.449 -21.552 -9.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.902 -22.917 -10.269 1.00 0.00 H new ATOM 1368 N LYS A 89 -12.875 -24.092 -10.986 1.00 0.00 N ATOM 1369 CA LYS A 89 -13.780 -24.961 -10.247 1.00 0.00 C ATOM 1370 C LYS A 89 -13.130 -26.292 -9.888 1.00 0.00 C ATOM 1371 O LYS A 89 -13.535 -27.350 -10.374 1.00 0.00 O ATOM 1372 CB LYS A 89 -15.069 -25.200 -11.037 1.00 0.00 C ATOM 1373 CG LYS A 89 -15.902 -23.947 -11.233 1.00 0.00 C ATOM 1374 CD LYS A 89 -17.277 -24.278 -11.780 1.00 0.00 C ATOM 1375 CE LYS A 89 -18.109 -23.026 -11.979 1.00 0.00 C ATOM 1376 NZ LYS A 89 -19.507 -23.351 -12.348 1.00 0.00 N ATOM 0 H LYS A 89 -12.980 -24.135 -12.000 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.023 -24.450 -9.316 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -14.816 -25.614 -12.013 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -15.669 -25.948 -10.519 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.003 -23.423 -10.283 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.390 -23.271 -11.917 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.176 -24.804 -12.729 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -17.790 -24.953 -11.095 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -18.102 -22.435 -11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.660 -22.411 -12.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.046 -22.471 -12.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.515 -23.894 -13.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.943 -23.917 -11.592 1.00 0.00 H new ATOM 1390 N ASP A 90 -12.126 -26.233 -9.031 1.00 0.00 N ATOM 1391 CA ASP A 90 -11.543 -27.434 -8.461 1.00 0.00 C ATOM 1392 C ASP A 90 -11.889 -27.490 -6.982 1.00 0.00 C ATOM 1393 O ASP A 90 -11.117 -27.054 -6.130 1.00 0.00 O ATOM 1394 CB ASP A 90 -10.027 -27.466 -8.661 1.00 0.00 C ATOM 1395 CG ASP A 90 -9.419 -28.764 -8.168 1.00 0.00 C ATOM 1396 OD1 ASP A 90 -9.746 -29.829 -8.732 1.00 0.00 O ATOM 1397 OD2 ASP A 90 -8.607 -28.726 -7.222 1.00 0.00 O ATOM 0 H ASP A 90 -11.697 -25.364 -8.714 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.953 -28.306 -8.970 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.798 -27.336 -9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.573 -26.628 -8.131 1.00 0.00 H new ATOM 1402 N THR A 91 -13.073 -27.996 -6.688 1.00 0.00 N ATOM 1403 CA THR A 91 -13.593 -27.979 -5.334 1.00 0.00 C ATOM 1404 C THR A 91 -13.588 -29.380 -4.728 1.00 0.00 C ATOM 1405 O THR A 91 -13.923 -30.364 -5.396 1.00 0.00 O ATOM 1406 CB THR A 91 -15.020 -27.377 -5.301 1.00 0.00 C ATOM 1407 OG1 THR A 91 -15.561 -27.423 -3.975 1.00 0.00 O ATOM 1408 CG2 THR A 91 -15.951 -28.107 -6.262 1.00 0.00 C ATOM 0 H THR A 91 -13.695 -28.426 -7.373 1.00 0.00 H new ATOM 0 HA THR A 91 -12.940 -27.347 -4.732 1.00 0.00 H new ATOM 0 HB THR A 91 -14.942 -26.337 -5.617 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.462 -27.037 -3.976 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.944 -27.661 -6.215 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.563 -28.024 -7.277 1.00 0.00 H new ATOM 0 HG23 THR A 91 -16.012 -29.158 -5.981 1.00 0.00 H new ATOM 1416 N SER A 92 -13.172 -29.461 -3.472 1.00 0.00 N ATOM 1417 CA SER A 92 -13.147 -30.709 -2.726 1.00 0.00 C ATOM 1418 C SER A 92 -13.164 -30.404 -1.231 1.00 0.00 C ATOM 1419 O SER A 92 -12.080 -30.153 -0.659 1.00 0.00 O ATOM 1420 CB SER A 92 -11.907 -31.538 -3.086 1.00 0.00 C ATOM 1421 OG SER A 92 -11.905 -31.889 -4.462 1.00 0.00 O ATOM 1422 OXT SER A 92 -14.264 -30.383 -0.642 1.00 0.00 O ATOM 0 H SER A 92 -12.840 -28.657 -2.939 1.00 0.00 H new ATOM 0 HA SER A 92 -14.028 -31.294 -2.988 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.006 -30.970 -2.852 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.882 -32.442 -2.477 1.00 0.00 H new ATOM 0 HG SER A 92 -12.782 -31.691 -4.851 1.00 0.00 H new TER 1428 SER A 92