USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 703 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 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 50 TYR OH : rot 109:sc= 0.623 USER MOD Set 2.1: A 13 MET CE :methyl -107:sc= -4.42! (180deg=-5.98!) USER MOD Set 2.2: A 72 HIS : no HD1:sc= -0.52 K(o=-4.9,f=-6.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.0228 (180deg=-0.437) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 161:sc= -1.1 (180deg=-1.47) USER MOD Single : A 10 ASN : amide:sc=-0.00716 X(o=-0.0072,f=-0.0072) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.00448 X(o=-0.0045,f=0) USER MOD Single : A 19 GLN : amide:sc= -7.3! C(o=-7.3!,f=-11!) USER MOD Single : A 24 CYS SG : rot 71:sc= 1.24 USER MOD Single : A 26 THR OG1 : rot 85:sc= 1.2 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0244) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.056 K(o=-0.056,f=-0.83) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc=-0.00543 (180deg=-0.143) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 53 THR OG1 : rot 53:sc= 1.2 USER MOD Single : A 55 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.29) USER MOD Single : A 56 CYS SG : rot 14:sc= -0.349 USER MOD Single : A 61 ASN : amide:sc= -0.0703 K(o=-0.07,f=-4.8!) USER MOD Single : A 64 SER OG : rot 57:sc= 0 USER MOD Single : A 65 TYR OH : rot 19:sc= 0.109 USER MOD Single : A 67 THR OG1 : rot 17:sc= 0.634 USER MOD Single : A 68 HIS : no HD1:sc= -0.0706 X(o=-0.071,f=-0.28) USER MOD Single : A 70 THR OG1 : rot -45:sc= 0.118 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -33:sc= -1.2! USER MOD Single : A 80 GLN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -132:sc= -0.0233 (180deg=-0.897) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.666 17.137 -15.050 1.00 0.00 N ATOM 2 CA MET A 1 -9.410 16.731 -14.444 1.00 0.00 C ATOM 3 C MET A 1 -9.098 17.576 -13.208 1.00 0.00 C ATOM 4 O MET A 1 -8.576 18.683 -13.323 1.00 0.00 O ATOM 5 CB MET A 1 -8.278 16.881 -15.463 1.00 0.00 C ATOM 6 CG MET A 1 -8.406 15.844 -16.581 1.00 0.00 C ATOM 7 SD MET A 1 -7.998 14.222 -15.959 1.00 0.00 S ATOM 8 CE MET A 1 -8.530 13.218 -17.336 1.00 0.00 C ATOM 0 H1 MET A 1 -11.034 16.363 -15.639 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.355 17.361 -14.304 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.510 17.978 -15.642 1.00 0.00 H new ATOM 0 HA MET A 1 -9.498 15.689 -14.136 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.298 17.884 -15.889 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.316 16.765 -14.963 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.422 15.846 -16.976 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.743 16.103 -17.406 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.346 12.167 -17.113 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.595 13.371 -17.508 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.974 13.502 -18.230 1.00 0.00 H new ATOM 18 N SER A 2 -9.431 17.020 -12.051 1.00 0.00 N ATOM 19 CA SER A 2 -9.195 17.710 -10.794 1.00 0.00 C ATOM 20 C SER A 2 -8.941 16.693 -9.680 1.00 0.00 C ATOM 21 O SER A 2 -9.823 15.906 -9.339 1.00 0.00 O ATOM 22 CB SER A 2 -10.375 18.613 -10.430 1.00 0.00 C ATOM 23 OG SER A 2 -10.080 19.989 -10.650 1.00 0.00 O ATOM 0 H SER A 2 -9.862 16.100 -11.958 1.00 0.00 H new ATOM 0 HA SER A 2 -8.314 18.341 -10.910 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.245 18.329 -11.022 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.639 18.461 -9.383 1.00 0.00 H new ATOM 0 HG SER A 2 -10.858 20.533 -10.408 1.00 0.00 H new ATOM 29 N ASP A 3 -7.731 16.741 -9.142 1.00 0.00 N ATOM 30 CA ASP A 3 -7.350 15.834 -8.073 1.00 0.00 C ATOM 31 C ASP A 3 -7.437 14.392 -8.578 1.00 0.00 C ATOM 32 O ASP A 3 -7.902 14.147 -9.690 1.00 0.00 O ATOM 33 CB ASP A 3 -8.290 15.970 -6.874 1.00 0.00 C ATOM 34 CG ASP A 3 -8.220 17.316 -6.147 1.00 0.00 C ATOM 35 OD1 ASP A 3 -8.413 18.379 -6.754 1.00 0.00 O ATOM 36 OD2 ASP A 3 -7.950 17.242 -4.888 1.00 0.00 O ATOM 0 H ASP A 3 -7.001 17.394 -9.427 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.334 16.083 -7.766 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.313 15.810 -7.214 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.063 15.177 -6.162 1.00 0.00 H new ATOM 42 N ARG A 4 -6.980 13.475 -7.737 1.00 0.00 N ATOM 43 CA ARG A 4 -7.000 12.065 -8.086 1.00 0.00 C ATOM 44 C ARG A 4 -7.685 11.255 -6.981 1.00 0.00 C ATOM 45 O ARG A 4 -8.504 10.382 -7.265 1.00 0.00 O ATOM 46 CB ARG A 4 -5.582 11.529 -8.296 1.00 0.00 C ATOM 47 CG ARG A 4 -5.275 11.360 -9.785 1.00 0.00 C ATOM 48 CD ARG A 4 -4.871 12.692 -10.417 1.00 0.00 C ATOM 49 NE ARG A 4 -3.626 12.524 -11.200 1.00 0.00 N ATOM 50 CZ ARG A 4 -2.395 12.428 -10.654 1.00 0.00 C ATOM 51 NH1 ARG A 4 -2.234 12.482 -9.314 1.00 0.00 N ATOM 52 NH2 ARG A 4 -1.352 12.280 -11.448 1.00 0.00 N ATOM 0 H ARG A 4 -6.594 13.681 -6.816 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.557 11.962 -9.017 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.861 12.212 -7.848 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.472 10.571 -7.787 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.472 10.634 -9.914 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.151 10.961 -10.297 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.670 13.055 -11.063 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.723 13.442 -9.640 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.703 12.478 -12.216 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.046 12.596 -8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.301 12.409 -8.909 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.482 12.240 -12.459 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.415 12.206 -11.051 1.00 0.00 H new ATOM 65 N LYS A 5 -7.324 11.575 -5.748 1.00 0.00 N ATOM 66 CA LYS A 5 -7.894 10.888 -4.601 1.00 0.00 C ATOM 67 C LYS A 5 -7.493 9.412 -4.644 1.00 0.00 C ATOM 68 O LYS A 5 -6.668 9.014 -5.463 1.00 0.00 O ATOM 69 CB LYS A 5 -9.405 11.113 -4.538 1.00 0.00 C ATOM 70 CG LYS A 5 -9.731 12.517 -4.023 1.00 0.00 C ATOM 71 CD LYS A 5 -11.156 12.924 -4.402 1.00 0.00 C ATOM 72 CE LYS A 5 -12.149 12.528 -3.307 1.00 0.00 C ATOM 73 NZ LYS A 5 -12.862 13.721 -2.797 1.00 0.00 N ATOM 0 H LYS A 5 -6.645 12.300 -5.517 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.495 11.300 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.838 10.976 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.860 10.368 -3.885 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.617 12.546 -2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.022 13.234 -4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.199 14.001 -4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.436 12.448 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.867 11.809 -3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.621 12.036 -2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -13.532 13.434 -2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.174 14.394 -2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.381 14.174 -3.576 1.00 0.00 H new ATOM 85 N ALA A 6 -8.098 8.641 -3.753 1.00 0.00 N ATOM 86 CA ALA A 6 -7.814 7.218 -3.679 1.00 0.00 C ATOM 87 C ALA A 6 -7.714 6.648 -5.094 1.00 0.00 C ATOM 88 O ALA A 6 -8.731 6.340 -5.717 1.00 0.00 O ATOM 89 CB ALA A 6 -8.895 6.525 -2.846 1.00 0.00 C ATOM 0 H ALA A 6 -8.784 8.975 -3.076 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.858 7.042 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.683 5.457 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.905 6.946 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.868 6.677 -3.313 1.00 0.00 H new ATOM 95 N VAL A 7 -6.482 6.526 -5.563 1.00 0.00 N ATOM 96 CA VAL A 7 -6.236 5.999 -6.895 1.00 0.00 C ATOM 97 C VAL A 7 -5.086 4.990 -6.836 1.00 0.00 C ATOM 98 O VAL A 7 -4.293 5.003 -5.896 1.00 0.00 O ATOM 99 CB VAL A 7 -5.975 7.146 -7.873 1.00 0.00 C ATOM 100 CG1 VAL A 7 -5.411 6.623 -9.195 1.00 0.00 C ATOM 101 CG2 VAL A 7 -7.245 7.968 -8.104 1.00 0.00 C ATOM 0 H VAL A 7 -5.642 6.783 -5.044 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.115 5.470 -7.264 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.227 7.802 -7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.235 7.459 -9.872 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.472 6.102 -9.009 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.124 5.934 -9.648 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.033 8.777 -8.803 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.023 7.327 -8.517 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.585 8.387 -7.157 1.00 0.00 H new ATOM 111 N ILE A 8 -5.034 4.142 -7.852 1.00 0.00 N ATOM 112 CA ILE A 8 -3.993 3.129 -7.927 1.00 0.00 C ATOM 113 C ILE A 8 -3.181 3.334 -9.207 1.00 0.00 C ATOM 114 O ILE A 8 -3.736 3.654 -10.256 1.00 0.00 O ATOM 115 CB ILE A 8 -4.598 1.730 -7.801 1.00 0.00 C ATOM 116 CG1 ILE A 8 -4.621 1.273 -6.341 1.00 0.00 C ATOM 117 CG2 ILE A 8 -3.869 0.733 -8.702 1.00 0.00 C ATOM 118 CD1 ILE A 8 -6.045 0.941 -5.891 1.00 0.00 C ATOM 0 H ILE A 8 -5.694 4.135 -8.629 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.302 3.229 -7.090 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.632 1.774 -8.142 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.985 0.396 -6.221 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.208 2.056 -5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.320 -0.253 -8.593 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.949 1.055 -9.740 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.818 0.685 -8.416 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.032 0.619 -4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.673 1.826 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.446 0.141 -6.513 1.00 0.00 H new ATOM 130 N LYS A 9 -1.875 3.140 -9.078 1.00 0.00 N ATOM 131 CA LYS A 9 -0.980 3.300 -10.212 1.00 0.00 C ATOM 132 C LYS A 9 -0.731 1.933 -10.854 1.00 0.00 C ATOM 133 O LYS A 9 -1.301 1.622 -11.898 1.00 0.00 O ATOM 134 CB LYS A 9 0.299 4.021 -9.786 1.00 0.00 C ATOM 135 CG LYS A 9 0.228 5.512 -10.126 1.00 0.00 C ATOM 136 CD LYS A 9 -0.646 6.263 -9.121 1.00 0.00 C ATOM 137 CE LYS A 9 0.032 6.335 -7.751 1.00 0.00 C ATOM 138 NZ LYS A 9 0.439 7.725 -7.446 1.00 0.00 N ATOM 0 H LYS A 9 -1.417 2.874 -8.207 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.437 3.933 -10.973 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.451 3.896 -8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.158 3.571 -10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.232 5.936 -10.128 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.175 5.641 -11.131 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.843 7.271 -9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.610 5.764 -9.028 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.650 5.972 -6.982 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.905 5.683 -7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.594 7.825 -6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.319 7.948 -7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.310 8.380 -7.748 1.00 0.00 H new ATOM 150 N ASN A 10 0.122 1.155 -10.203 1.00 0.00 N ATOM 151 CA ASN A 10 0.454 -0.169 -10.699 1.00 0.00 C ATOM 152 C ASN A 10 0.503 -1.150 -9.525 1.00 0.00 C ATOM 153 O ASN A 10 1.229 -0.929 -8.557 1.00 0.00 O ATOM 154 CB ASN A 10 1.825 -0.176 -11.377 1.00 0.00 C ATOM 155 CG ASN A 10 1.797 0.635 -12.675 1.00 0.00 C ATOM 156 OD1 ASN A 10 2.170 1.795 -12.719 1.00 0.00 O ATOM 157 ND2 ASN A 10 1.338 -0.040 -13.724 1.00 0.00 N ATOM 0 H ASN A 10 0.593 1.417 -9.337 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.308 -0.459 -11.423 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.572 0.239 -10.700 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.124 -1.202 -11.591 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.282 0.412 -14.637 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.042 -1.010 -13.616 1.00 0.00 H new ATOM 164 N ALA A 11 -0.280 -2.213 -9.649 1.00 0.00 N ATOM 165 CA ALA A 11 -0.333 -3.228 -8.612 1.00 0.00 C ATOM 166 C ALA A 11 -0.955 -4.504 -9.185 1.00 0.00 C ATOM 167 O ALA A 11 -2.169 -4.690 -9.119 1.00 0.00 O ATOM 168 CB ALA A 11 -1.112 -2.688 -7.410 1.00 0.00 C ATOM 0 H ALA A 11 -0.882 -2.392 -10.452 1.00 0.00 H new ATOM 0 HA ALA A 11 0.670 -3.477 -8.266 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.152 -3.449 -6.631 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.614 -1.799 -7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.125 -2.431 -7.719 1.00 0.00 H new ATOM 174 N ASP A 12 -0.094 -5.349 -9.733 1.00 0.00 N ATOM 175 CA ASP A 12 -0.542 -6.601 -10.316 1.00 0.00 C ATOM 176 C ASP A 12 -1.152 -7.480 -9.220 1.00 0.00 C ATOM 177 O ASP A 12 -0.437 -8.197 -8.525 1.00 0.00 O ATOM 178 CB ASP A 12 0.625 -7.367 -10.940 1.00 0.00 C ATOM 179 CG ASP A 12 1.358 -6.627 -12.059 1.00 0.00 C ATOM 180 OD1 ASP A 12 2.595 -6.669 -12.151 1.00 0.00 O ATOM 181 OD2 ASP A 12 0.598 -5.978 -12.874 1.00 0.00 O ATOM 0 H ASP A 12 0.912 -5.190 -9.785 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.276 -6.369 -11.088 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.341 -7.610 -10.155 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.251 -8.312 -11.334 1.00 0.00 H new ATOM 187 N MET A 13 -2.469 -7.392 -9.103 1.00 0.00 N ATOM 188 CA MET A 13 -3.184 -8.171 -8.105 1.00 0.00 C ATOM 189 C MET A 13 -4.688 -8.177 -8.387 1.00 0.00 C ATOM 190 O MET A 13 -5.144 -7.562 -9.350 1.00 0.00 O ATOM 191 CB MET A 13 -2.928 -7.579 -6.718 1.00 0.00 C ATOM 192 CG MET A 13 -2.781 -8.683 -5.669 1.00 0.00 C ATOM 193 SD MET A 13 -1.778 -8.108 -4.310 1.00 0.00 S ATOM 194 CE MET A 13 -2.124 -9.380 -3.107 1.00 0.00 C ATOM 0 H MET A 13 -3.059 -6.794 -9.682 1.00 0.00 H new ATOM 0 HA MET A 13 -2.822 -9.198 -8.145 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.024 -6.970 -6.740 1.00 0.00 H new ATOM 0 HB3 MET A 13 -3.750 -6.919 -6.443 1.00 0.00 H new ATOM 0 HG2 MET A 13 -3.764 -8.982 -5.305 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.326 -9.565 -6.119 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.771 -8.978 -2.328 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.622 -10.217 -3.596 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.190 -9.723 -2.662 1.00 0.00 H new ATOM 204 N SER A 14 -5.416 -8.877 -7.531 1.00 0.00 N ATOM 205 CA SER A 14 -6.858 -8.971 -7.677 1.00 0.00 C ATOM 206 C SER A 14 -7.541 -7.885 -6.843 1.00 0.00 C ATOM 207 O SER A 14 -7.112 -7.592 -5.729 1.00 0.00 O ATOM 208 CB SER A 14 -7.364 -10.355 -7.262 1.00 0.00 C ATOM 209 OG SER A 14 -8.782 -10.458 -7.369 1.00 0.00 O ATOM 0 H SER A 14 -5.034 -9.385 -6.733 1.00 0.00 H new ATOM 0 HA SER A 14 -7.106 -8.822 -8.728 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.897 -11.115 -7.888 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.062 -10.559 -6.235 1.00 0.00 H new ATOM 0 HG SER A 14 -9.066 -11.356 -7.097 1.00 0.00 H new ATOM 215 N GLU A 15 -8.591 -7.316 -7.417 1.00 0.00 N ATOM 216 CA GLU A 15 -9.337 -6.269 -6.740 1.00 0.00 C ATOM 217 C GLU A 15 -9.600 -6.660 -5.284 1.00 0.00 C ATOM 218 O GLU A 15 -9.815 -5.796 -4.436 1.00 0.00 O ATOM 219 CB GLU A 15 -10.646 -5.967 -7.472 1.00 0.00 C ATOM 220 CG GLU A 15 -10.998 -4.481 -7.380 1.00 0.00 C ATOM 221 CD GLU A 15 -11.711 -4.008 -8.648 1.00 0.00 C ATOM 222 OE1 GLU A 15 -11.209 -4.225 -9.760 1.00 0.00 O ATOM 223 OE2 GLU A 15 -12.827 -3.393 -8.447 1.00 0.00 O ATOM 0 H GLU A 15 -8.943 -7.560 -8.343 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.737 -5.359 -6.748 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.557 -6.259 -8.518 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.452 -6.562 -7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.636 -4.308 -6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.090 -3.897 -7.229 1.00 0.00 H new ATOM 231 N GLU A 16 -9.574 -7.961 -5.040 1.00 0.00 N ATOM 232 CA GLU A 16 -9.807 -8.477 -3.702 1.00 0.00 C ATOM 233 C GLU A 16 -8.773 -7.909 -2.728 1.00 0.00 C ATOM 234 O GLU A 16 -9.128 -7.247 -1.754 1.00 0.00 O ATOM 235 CB GLU A 16 -9.789 -10.007 -3.693 1.00 0.00 C ATOM 236 CG GLU A 16 -11.033 -10.565 -2.999 1.00 0.00 C ATOM 237 CD GLU A 16 -10.944 -10.377 -1.482 1.00 0.00 C ATOM 238 OE1 GLU A 16 -9.838 -10.338 -0.925 1.00 0.00 O ATOM 239 OE2 GLU A 16 -12.081 -10.271 -0.880 1.00 0.00 O ATOM 0 H GLU A 16 -9.395 -8.674 -5.747 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.797 -8.158 -3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.741 -10.380 -4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.893 -10.361 -3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.923 -10.063 -3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.140 -11.624 -3.232 1.00 0.00 H new ATOM 247 N MET A 17 -7.511 -8.193 -3.023 1.00 0.00 N ATOM 248 CA MET A 17 -6.422 -7.718 -2.185 1.00 0.00 C ATOM 249 C MET A 17 -6.088 -6.258 -2.494 1.00 0.00 C ATOM 250 O MET A 17 -5.759 -5.489 -1.592 1.00 0.00 O ATOM 251 CB MET A 17 -5.184 -8.586 -2.419 1.00 0.00 C ATOM 252 CG MET A 17 -5.569 -10.057 -2.596 1.00 0.00 C ATOM 253 SD MET A 17 -6.729 -10.539 -1.326 1.00 0.00 S ATOM 254 CE MET A 17 -6.663 -12.314 -1.505 1.00 0.00 C ATOM 0 H MET A 17 -7.219 -8.745 -3.829 1.00 0.00 H new ATOM 0 HA MET A 17 -6.734 -7.786 -1.143 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.653 -8.237 -3.304 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.500 -8.485 -1.576 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.010 -10.210 -3.581 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.679 -10.684 -2.544 1.00 0.00 H new ATOM 0 HE1 MET A 17 -7.334 -12.778 -0.782 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.971 -12.590 -2.514 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.644 -12.660 -1.329 1.00 0.00 H new ATOM 264 N GLN A 18 -6.186 -5.919 -3.770 1.00 0.00 N ATOM 265 CA GLN A 18 -5.898 -4.563 -4.209 1.00 0.00 C ATOM 266 C GLN A 18 -6.877 -3.579 -3.565 1.00 0.00 C ATOM 267 O GLN A 18 -6.466 -2.548 -3.036 1.00 0.00 O ATOM 268 CB GLN A 18 -5.942 -4.459 -5.735 1.00 0.00 C ATOM 269 CG GLN A 18 -5.903 -2.999 -6.187 1.00 0.00 C ATOM 270 CD GLN A 18 -6.000 -2.893 -7.710 1.00 0.00 C ATOM 271 OE1 GLN A 18 -6.943 -2.348 -8.261 1.00 0.00 O ATOM 272 NE2 GLN A 18 -4.977 -3.444 -8.358 1.00 0.00 N ATOM 0 H GLN A 18 -6.461 -6.559 -4.515 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.888 -4.305 -3.889 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.098 -4.999 -6.164 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.848 -4.935 -6.109 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.725 -2.450 -5.728 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.979 -2.533 -5.845 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.220 -3.884 -7.835 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.950 -3.426 -9.377 1.00 0.00 H new ATOM 281 N GLN A 19 -8.152 -3.931 -3.632 1.00 0.00 N ATOM 282 CA GLN A 19 -9.192 -3.092 -3.063 1.00 0.00 C ATOM 283 C GLN A 19 -9.134 -3.138 -1.535 1.00 0.00 C ATOM 284 O GLN A 19 -9.163 -2.099 -0.878 1.00 0.00 O ATOM 285 CB GLN A 19 -10.573 -3.507 -3.573 1.00 0.00 C ATOM 286 CG GLN A 19 -11.582 -2.369 -3.415 1.00 0.00 C ATOM 287 CD GLN A 19 -11.476 -1.730 -2.029 1.00 0.00 C ATOM 288 OE1 GLN A 19 -11.564 -2.387 -1.005 1.00 0.00 O ATOM 289 NE2 GLN A 19 -11.281 -0.414 -2.053 1.00 0.00 N ATOM 0 H GLN A 19 -8.489 -4.787 -4.072 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.018 -2.065 -3.383 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.505 -3.794 -4.622 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.919 -4.383 -3.024 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.407 -1.614 -4.182 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.592 -2.750 -3.567 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.217 0.076 -2.945 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.196 0.105 -1.179 1.00 0.00 H new ATOM 298 N ASP A 20 -9.054 -4.353 -1.014 1.00 0.00 N ATOM 299 CA ASP A 20 -8.992 -4.549 0.424 1.00 0.00 C ATOM 300 C ASP A 20 -7.815 -3.753 0.992 1.00 0.00 C ATOM 301 O ASP A 20 -7.950 -3.083 2.015 1.00 0.00 O ATOM 302 CB ASP A 20 -8.776 -6.023 0.771 1.00 0.00 C ATOM 303 CG ASP A 20 -8.788 -6.343 2.267 1.00 0.00 C ATOM 304 OD1 ASP A 20 -7.794 -6.124 2.975 1.00 0.00 O ATOM 305 OD2 ASP A 20 -9.890 -6.848 2.708 1.00 0.00 O ATOM 0 H ASP A 20 -9.031 -5.213 -1.563 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.937 -4.213 0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.551 -6.613 0.282 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.821 -6.343 0.354 1.00 0.00 H new ATOM 311 N ALA A 21 -6.688 -3.851 0.303 1.00 0.00 N ATOM 312 CA ALA A 21 -5.487 -3.150 0.726 1.00 0.00 C ATOM 313 C ALA A 21 -5.701 -1.643 0.566 1.00 0.00 C ATOM 314 O ALA A 21 -5.866 -0.926 1.552 1.00 0.00 O ATOM 315 CB ALA A 21 -4.289 -3.657 -0.077 1.00 0.00 C ATOM 0 H ALA A 21 -6.581 -4.406 -0.546 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.279 -3.345 1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.389 -3.131 0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.163 -4.726 0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.459 -3.476 -1.138 1.00 0.00 H new ATOM 321 N VAL A 22 -5.690 -1.205 -0.684 1.00 0.00 N ATOM 322 CA VAL A 22 -5.879 0.203 -0.987 1.00 0.00 C ATOM 323 C VAL A 22 -6.977 0.770 -0.084 1.00 0.00 C ATOM 324 O VAL A 22 -6.946 1.948 0.269 1.00 0.00 O ATOM 325 CB VAL A 22 -6.178 0.382 -2.477 1.00 0.00 C ATOM 326 CG1 VAL A 22 -7.687 0.400 -2.736 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.515 1.649 -3.021 1.00 0.00 C ATOM 0 H VAL A 22 -5.553 -1.802 -1.500 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.967 0.764 -0.783 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.757 -0.472 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.872 0.528 -3.803 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.125 -0.541 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.141 1.225 -2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.743 1.752 -4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.893 2.518 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.435 1.581 -2.887 1.00 0.00 H new ATOM 337 N ASP A 23 -7.918 -0.094 0.262 1.00 0.00 N ATOM 338 CA ASP A 23 -9.023 0.306 1.117 1.00 0.00 C ATOM 339 C ASP A 23 -8.489 0.635 2.514 1.00 0.00 C ATOM 340 O ASP A 23 -8.674 1.745 3.006 1.00 0.00 O ATOM 341 CB ASP A 23 -10.049 -0.820 1.257 1.00 0.00 C ATOM 342 CG ASP A 23 -11.095 -0.611 2.354 1.00 0.00 C ATOM 343 OD1 ASP A 23 -12.126 0.043 2.136 1.00 0.00 O ATOM 344 OD2 ASP A 23 -10.814 -1.159 3.487 1.00 0.00 O ATOM 0 H ASP A 23 -7.939 -1.070 -0.034 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.501 1.175 0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.564 -0.942 0.304 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.519 -1.752 1.455 1.00 0.00 H new ATOM 350 N CYS A 24 -7.838 -0.353 3.110 1.00 0.00 N ATOM 351 CA CYS A 24 -7.277 -0.184 4.440 1.00 0.00 C ATOM 352 C CYS A 24 -6.378 1.055 4.426 1.00 0.00 C ATOM 353 O CYS A 24 -6.483 1.911 5.303 1.00 0.00 O ATOM 354 CB CYS A 24 -6.521 -1.433 4.899 1.00 0.00 C ATOM 355 SG CYS A 24 -7.662 -2.861 4.977 1.00 0.00 S ATOM 0 H CYS A 24 -7.686 -1.273 2.697 1.00 0.00 H new ATOM 0 HA CYS A 24 -8.081 -0.042 5.162 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.704 -1.647 4.210 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.075 -1.259 5.878 1.00 0.00 H new ATOM 0 HG CYS A 24 -7.995 -3.217 3.772 1.00 0.00 H new ATOM 361 N ALA A 25 -5.515 1.110 3.423 1.00 0.00 N ATOM 362 CA ALA A 25 -4.598 2.230 3.284 1.00 0.00 C ATOM 363 C ALA A 25 -5.400 3.529 3.178 1.00 0.00 C ATOM 364 O ALA A 25 -5.113 4.499 3.878 1.00 0.00 O ATOM 365 CB ALA A 25 -3.693 2.001 2.073 1.00 0.00 C ATOM 0 H ALA A 25 -5.431 0.397 2.698 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.954 2.311 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.006 2.840 1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.124 1.082 2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.303 1.918 1.174 1.00 0.00 H new ATOM 371 N THR A 26 -6.388 3.505 2.297 1.00 0.00 N ATOM 372 CA THR A 26 -7.234 4.669 2.088 1.00 0.00 C ATOM 373 C THR A 26 -7.753 5.197 3.427 1.00 0.00 C ATOM 374 O THR A 26 -7.493 6.343 3.790 1.00 0.00 O ATOM 375 CB THR A 26 -8.347 4.277 1.116 1.00 0.00 C ATOM 376 OG1 THR A 26 -7.713 4.282 -0.160 1.00 0.00 O ATOM 377 CG2 THR A 26 -9.428 5.354 0.999 1.00 0.00 C ATOM 0 H THR A 26 -6.623 2.698 1.719 1.00 0.00 H new ATOM 0 HA THR A 26 -6.673 5.492 1.645 1.00 0.00 H new ATOM 0 HB THR A 26 -8.800 3.341 1.443 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.273 3.419 -0.310 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.194 5.026 0.297 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.880 5.523 1.976 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.981 6.281 0.641 1.00 0.00 H new ATOM 385 N GLN A 27 -8.477 4.335 4.126 1.00 0.00 N ATOM 386 CA GLN A 27 -9.036 4.700 5.416 1.00 0.00 C ATOM 387 C GLN A 27 -7.918 5.082 6.388 1.00 0.00 C ATOM 388 O GLN A 27 -8.093 5.970 7.223 1.00 0.00 O ATOM 389 CB GLN A 27 -9.892 3.568 5.984 1.00 0.00 C ATOM 390 CG GLN A 27 -10.870 4.093 7.037 1.00 0.00 C ATOM 391 CD GLN A 27 -11.557 2.940 7.772 1.00 0.00 C ATOM 392 OE1 GLN A 27 -11.271 1.773 7.554 1.00 0.00 O ATOM 393 NE2 GLN A 27 -12.475 3.330 8.651 1.00 0.00 N ATOM 0 H GLN A 27 -8.689 3.384 3.823 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.684 5.565 5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.445 3.086 5.178 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.248 2.808 6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.337 4.719 7.753 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.621 4.723 6.559 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.664 4.323 8.784 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.990 2.636 9.193 1.00 0.00 H new ATOM 402 N ALA A 28 -6.794 4.394 6.250 1.00 0.00 N ATOM 403 CA ALA A 28 -5.648 4.650 7.105 1.00 0.00 C ATOM 404 C ALA A 28 -5.338 6.148 7.099 1.00 0.00 C ATOM 405 O ALA A 28 -5.345 6.793 8.148 1.00 0.00 O ATOM 406 CB ALA A 28 -4.462 3.807 6.636 1.00 0.00 C ATOM 0 H ALA A 28 -6.653 3.658 5.558 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.865 4.362 8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.602 3.999 7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.724 2.750 6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.213 4.069 5.608 1.00 0.00 H new ATOM 412 N LEU A 29 -5.072 6.660 5.907 1.00 0.00 N ATOM 413 CA LEU A 29 -4.760 8.071 5.750 1.00 0.00 C ATOM 414 C LEU A 29 -5.996 8.905 6.095 1.00 0.00 C ATOM 415 O LEU A 29 -5.875 10.022 6.597 1.00 0.00 O ATOM 416 CB LEU A 29 -4.204 8.345 4.350 1.00 0.00 C ATOM 417 CG LEU A 29 -3.926 9.812 4.014 1.00 0.00 C ATOM 418 CD1 LEU A 29 -2.678 9.945 3.139 1.00 0.00 C ATOM 419 CD2 LEU A 29 -5.149 10.470 3.374 1.00 0.00 C ATOM 0 H LEU A 29 -5.066 6.123 5.040 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.973 8.366 6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.277 7.784 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.909 7.952 3.617 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.726 10.344 4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.502 10.997 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.817 9.538 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.825 9.395 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.924 11.512 3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.406 9.944 2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.990 10.424 4.065 1.00 0.00 H new ATOM 431 N GLU A 30 -7.155 8.330 5.812 1.00 0.00 N ATOM 432 CA GLU A 30 -8.411 9.006 6.086 1.00 0.00 C ATOM 433 C GLU A 30 -8.654 9.086 7.595 1.00 0.00 C ATOM 434 O GLU A 30 -9.600 9.733 8.043 1.00 0.00 O ATOM 435 CB GLU A 30 -9.577 8.307 5.381 1.00 0.00 C ATOM 436 CG GLU A 30 -10.460 9.317 4.648 1.00 0.00 C ATOM 437 CD GLU A 30 -9.835 9.725 3.313 1.00 0.00 C ATOM 438 OE1 GLU A 30 -9.054 10.688 3.261 1.00 0.00 O ATOM 439 OE2 GLU A 30 -10.185 9.002 2.304 1.00 0.00 O ATOM 0 H GLU A 30 -7.251 7.404 5.396 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.346 10.021 5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.191 7.574 4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.173 7.760 6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.446 8.885 4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.603 10.200 5.271 1.00 0.00 H new ATOM 447 N LYS A 31 -7.781 8.420 8.338 1.00 0.00 N ATOM 448 CA LYS A 31 -7.887 8.408 9.788 1.00 0.00 C ATOM 449 C LYS A 31 -6.607 8.986 10.392 1.00 0.00 C ATOM 450 O LYS A 31 -6.660 9.725 11.374 1.00 0.00 O ATOM 451 CB LYS A 31 -8.224 7.002 10.287 1.00 0.00 C ATOM 452 CG LYS A 31 -7.972 6.880 11.790 1.00 0.00 C ATOM 453 CD LYS A 31 -8.842 5.782 12.406 1.00 0.00 C ATOM 454 CE LYS A 31 -10.327 6.141 12.309 1.00 0.00 C ATOM 455 NZ LYS A 31 -11.035 5.179 11.434 1.00 0.00 N ATOM 0 H LYS A 31 -6.998 7.885 7.963 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.709 9.043 10.117 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.268 6.776 10.070 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.621 6.268 9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.920 6.658 11.969 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.184 7.832 12.276 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.658 4.837 11.894 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.566 5.638 13.451 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.775 6.136 13.303 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.438 7.151 11.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.996 5.527 11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.517 5.078 10.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.090 4.255 11.908 1.00 0.00 H new ATOM 467 N TYR A 32 -5.487 8.626 9.783 1.00 0.00 N ATOM 468 CA TYR A 32 -4.195 9.100 10.250 1.00 0.00 C ATOM 469 C TYR A 32 -3.696 10.265 9.393 1.00 0.00 C ATOM 470 O TYR A 32 -4.429 10.778 8.548 1.00 0.00 O ATOM 471 CB TYR A 32 -3.233 7.920 10.096 1.00 0.00 C ATOM 472 CG TYR A 32 -3.287 6.919 11.251 1.00 0.00 C ATOM 473 CD1 TYR A 32 -4.173 5.861 11.206 1.00 0.00 C ATOM 474 CD2 TYR A 32 -2.451 7.072 12.339 1.00 0.00 C ATOM 475 CE1 TYR A 32 -4.225 4.918 12.294 1.00 0.00 C ATOM 476 CE2 TYR A 32 -2.503 6.129 13.426 1.00 0.00 C ATOM 477 CZ TYR A 32 -3.387 5.098 13.350 1.00 0.00 C ATOM 478 OH TYR A 32 -3.436 4.209 14.376 1.00 0.00 O ATOM 0 H TYR A 32 -5.447 8.011 8.970 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.264 9.452 11.279 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.460 7.399 9.166 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.216 8.303 10.007 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.827 5.740 10.355 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.758 7.899 12.375 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.914 4.087 12.272 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.854 6.238 14.283 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.781 4.462 15.060 1.00 0.00 H new ATOM 488 N ASN A 33 -2.452 10.648 9.640 1.00 0.00 N ATOM 489 CA ASN A 33 -1.846 11.743 8.901 1.00 0.00 C ATOM 490 C ASN A 33 -0.374 11.421 8.636 1.00 0.00 C ATOM 491 O ASN A 33 0.121 11.626 7.529 1.00 0.00 O ATOM 492 CB ASN A 33 -1.909 13.047 9.699 1.00 0.00 C ATOM 493 CG ASN A 33 -2.244 14.231 8.790 1.00 0.00 C ATOM 494 OD1 ASN A 33 -2.017 14.210 7.592 1.00 0.00 O ATOM 495 ND2 ASN A 33 -2.794 15.262 9.424 1.00 0.00 N ATOM 0 H ASN A 33 -1.847 10.220 10.341 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.395 11.865 7.967 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.661 12.962 10.483 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.953 13.222 10.192 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.053 16.101 8.905 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.957 15.214 10.430 1.00 0.00 H new ATOM 502 N ILE A 34 0.285 10.921 9.672 1.00 0.00 N ATOM 503 CA ILE A 34 1.691 10.569 9.564 1.00 0.00 C ATOM 504 C ILE A 34 1.843 9.380 8.616 1.00 0.00 C ATOM 505 O ILE A 34 1.869 8.231 9.054 1.00 0.00 O ATOM 506 CB ILE A 34 2.290 10.330 10.952 1.00 0.00 C ATOM 507 CG1 ILE A 34 2.027 11.520 11.877 1.00 0.00 C ATOM 508 CG2 ILE A 34 3.780 9.997 10.856 1.00 0.00 C ATOM 509 CD1 ILE A 34 1.803 11.058 13.317 1.00 0.00 C ATOM 0 H ILE A 34 -0.128 10.752 10.589 1.00 0.00 H new ATOM 0 HA ILE A 34 2.259 11.394 9.134 1.00 0.00 H new ATOM 0 HB ILE A 34 1.794 9.465 11.393 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.872 12.208 11.840 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.153 12.070 11.528 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.181 9.832 11.856 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.914 9.096 10.258 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.309 10.826 10.386 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.618 11.924 13.952 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.942 10.390 13.355 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.688 10.530 13.672 1.00 0.00 H new ATOM 521 N GLU A 35 1.939 9.695 7.332 1.00 0.00 N ATOM 522 CA GLU A 35 2.087 8.667 6.317 1.00 0.00 C ATOM 523 C GLU A 35 2.921 7.503 6.859 1.00 0.00 C ATOM 524 O GLU A 35 2.600 6.341 6.619 1.00 0.00 O ATOM 525 CB GLU A 35 2.710 9.240 5.043 1.00 0.00 C ATOM 526 CG GLU A 35 1.886 10.415 4.511 1.00 0.00 C ATOM 527 CD GLU A 35 2.773 11.635 4.255 1.00 0.00 C ATOM 528 OE1 GLU A 35 2.307 12.777 4.383 1.00 0.00 O ATOM 529 OE2 GLU A 35 3.988 11.365 3.914 1.00 0.00 O ATOM 0 H GLU A 35 1.917 10.649 6.972 1.00 0.00 H new ATOM 0 HA GLU A 35 1.096 8.291 6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.729 9.569 5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.773 8.462 4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.386 10.124 3.587 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.107 10.672 5.228 1.00 0.00 H new ATOM 537 N LYS A 36 3.975 7.858 7.580 1.00 0.00 N ATOM 538 CA LYS A 36 4.857 6.857 8.156 1.00 0.00 C ATOM 539 C LYS A 36 4.024 5.841 8.939 1.00 0.00 C ATOM 540 O LYS A 36 4.123 4.637 8.703 1.00 0.00 O ATOM 541 CB LYS A 36 5.953 7.526 8.989 1.00 0.00 C ATOM 542 CG LYS A 36 7.334 7.269 8.384 1.00 0.00 C ATOM 543 CD LYS A 36 8.441 7.550 9.402 1.00 0.00 C ATOM 544 CE LYS A 36 9.756 6.892 8.979 1.00 0.00 C ATOM 545 NZ LYS A 36 10.900 7.783 9.280 1.00 0.00 N ATOM 0 H LYS A 36 4.238 8.824 7.778 1.00 0.00 H new ATOM 0 HA LYS A 36 5.376 6.307 7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.770 8.599 9.043 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.923 7.145 10.010 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.400 6.235 8.046 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.473 7.900 7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.584 8.626 9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.142 7.177 10.382 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.879 5.943 9.501 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.732 6.669 7.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.785 7.322 8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.788 8.678 8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.931 7.975 10.302 1.00 0.00 H new ATOM 557 N ASP A 37 3.221 6.361 9.857 1.00 0.00 N ATOM 558 CA ASP A 37 2.371 5.514 10.677 1.00 0.00 C ATOM 559 C ASP A 37 1.302 4.868 9.794 1.00 0.00 C ATOM 560 O ASP A 37 0.829 3.769 10.089 1.00 0.00 O ATOM 561 CB ASP A 37 1.663 6.329 11.759 1.00 0.00 C ATOM 562 CG ASP A 37 1.877 5.830 13.189 1.00 0.00 C ATOM 563 OD1 ASP A 37 2.203 6.611 14.096 1.00 0.00 O ATOM 564 OD2 ASP A 37 1.695 4.565 13.359 1.00 0.00 O ATOM 0 H ASP A 37 3.141 7.359 10.051 1.00 0.00 H new ATOM 0 HA ASP A 37 2.999 4.759 11.149 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.004 7.362 11.696 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.594 6.333 11.548 1.00 0.00 H new ATOM 570 N ILE A 38 0.951 5.574 8.730 1.00 0.00 N ATOM 571 CA ILE A 38 -0.055 5.081 7.802 1.00 0.00 C ATOM 572 C ILE A 38 0.454 3.799 7.141 1.00 0.00 C ATOM 573 O ILE A 38 -0.272 2.807 7.062 1.00 0.00 O ATOM 574 CB ILE A 38 -0.446 6.175 6.808 1.00 0.00 C ATOM 575 CG1 ILE A 38 -0.851 7.459 7.533 1.00 0.00 C ATOM 576 CG2 ILE A 38 -1.540 5.684 5.857 1.00 0.00 C ATOM 577 CD1 ILE A 38 -1.466 8.467 6.561 1.00 0.00 C ATOM 0 H ILE A 38 1.344 6.484 8.489 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.972 4.823 8.332 1.00 0.00 H new ATOM 0 HB ILE A 38 0.428 6.412 6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.567 7.225 8.321 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.022 7.899 8.015 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.801 6.480 5.160 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.178 4.819 5.301 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.422 5.402 6.432 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.745 9.371 7.102 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.739 8.717 5.788 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.352 8.033 6.099 1.00 0.00 H new ATOM 589 N ALA A 39 1.695 3.859 6.682 1.00 0.00 N ATOM 590 CA ALA A 39 2.307 2.715 6.029 1.00 0.00 C ATOM 591 C ALA A 39 2.477 1.583 7.045 1.00 0.00 C ATOM 592 O ALA A 39 2.270 0.416 6.718 1.00 0.00 O ATOM 593 CB ALA A 39 3.637 3.137 5.400 1.00 0.00 C ATOM 0 H ALA A 39 2.293 4.682 6.749 1.00 0.00 H new ATOM 0 HA ALA A 39 1.669 2.345 5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.096 2.279 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.459 3.922 4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.304 3.511 6.176 1.00 0.00 H new ATOM 599 N ALA A 40 2.850 1.969 8.256 1.00 0.00 N ATOM 600 CA ALA A 40 3.050 1.002 9.322 1.00 0.00 C ATOM 601 C ALA A 40 1.707 0.361 9.680 1.00 0.00 C ATOM 602 O ALA A 40 1.657 -0.799 10.087 1.00 0.00 O ATOM 603 CB ALA A 40 3.706 1.690 10.520 1.00 0.00 C ATOM 0 H ALA A 40 3.019 2.939 8.523 1.00 0.00 H new ATOM 0 HA ALA A 40 3.720 0.206 8.998 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.856 0.964 11.319 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.669 2.103 10.220 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.061 2.494 10.876 1.00 0.00 H new ATOM 609 N TYR A 41 0.651 1.145 9.517 1.00 0.00 N ATOM 610 CA TYR A 41 -0.688 0.670 9.820 1.00 0.00 C ATOM 611 C TYR A 41 -1.156 -0.347 8.776 1.00 0.00 C ATOM 612 O TYR A 41 -1.811 -1.332 9.116 1.00 0.00 O ATOM 613 CB TYR A 41 -1.596 1.900 9.759 1.00 0.00 C ATOM 614 CG TYR A 41 -3.078 1.570 9.568 1.00 0.00 C ATOM 615 CD1 TYR A 41 -3.535 1.136 8.340 1.00 0.00 C ATOM 616 CD2 TYR A 41 -3.957 1.706 10.623 1.00 0.00 C ATOM 617 CE1 TYR A 41 -4.930 0.826 8.160 1.00 0.00 C ATOM 618 CE2 TYR A 41 -5.353 1.396 10.443 1.00 0.00 C ATOM 619 CZ TYR A 41 -5.770 0.972 9.220 1.00 0.00 C ATOM 620 OH TYR A 41 -7.087 0.679 9.049 1.00 0.00 O ATOM 0 H TYR A 41 0.696 2.106 9.179 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.712 0.182 10.794 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.477 2.473 10.679 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.268 2.541 8.940 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.847 1.029 7.515 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.599 2.045 11.584 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.301 0.485 7.205 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.052 1.498 11.260 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.567 0.828 9.890 1.00 0.00 H new ATOM 630 N ILE A 42 -0.804 -0.074 7.529 1.00 0.00 N ATOM 631 CA ILE A 42 -1.180 -0.952 6.435 1.00 0.00 C ATOM 632 C ILE A 42 -0.475 -2.300 6.604 1.00 0.00 C ATOM 633 O ILE A 42 -1.123 -3.346 6.613 1.00 0.00 O ATOM 634 CB ILE A 42 -0.904 -0.279 5.089 1.00 0.00 C ATOM 635 CG1 ILE A 42 -1.626 1.066 4.990 1.00 0.00 C ATOM 636 CG2 ILE A 42 -1.263 -1.209 3.928 1.00 0.00 C ATOM 637 CD1 ILE A 42 -0.917 1.998 4.008 1.00 0.00 C ATOM 0 H ILE A 42 -0.262 0.744 7.252 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.252 -1.147 6.454 1.00 0.00 H new ATOM 0 HB ILE A 42 0.165 -0.076 5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.655 0.907 4.668 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.669 1.533 5.974 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.058 -0.707 2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.666 -2.119 3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.321 -1.465 3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.451 2.947 3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.104 2.174 4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.898 1.539 3.020 1.00 0.00 H new ATOM 649 N LYS A 43 0.841 -2.232 6.733 1.00 0.00 N ATOM 650 CA LYS A 43 1.641 -3.433 6.901 1.00 0.00 C ATOM 651 C LYS A 43 1.104 -4.234 8.090 1.00 0.00 C ATOM 652 O LYS A 43 0.918 -5.446 7.993 1.00 0.00 O ATOM 653 CB LYS A 43 3.123 -3.079 7.017 1.00 0.00 C ATOM 654 CG LYS A 43 3.961 -4.318 7.347 1.00 0.00 C ATOM 655 CD LYS A 43 5.168 -3.951 8.212 1.00 0.00 C ATOM 656 CE LYS A 43 4.751 -3.739 9.669 1.00 0.00 C ATOM 657 NZ LYS A 43 5.375 -2.511 10.212 1.00 0.00 N ATOM 0 H LYS A 43 1.374 -1.363 6.725 1.00 0.00 H new ATOM 0 HA LYS A 43 1.559 -4.072 6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.470 -2.640 6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.261 -2.326 7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.344 -5.050 7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.300 -4.788 6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.916 -4.742 8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.634 -3.044 7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.666 -3.663 9.736 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.048 -4.600 10.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.082 -2.381 11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.410 -2.598 10.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.071 -1.690 9.651 1.00 0.00 H new ATOM 669 N LYS A 44 0.873 -3.524 9.185 1.00 0.00 N ATOM 670 CA LYS A 44 0.363 -4.155 10.391 1.00 0.00 C ATOM 671 C LYS A 44 -1.032 -4.719 10.115 1.00 0.00 C ATOM 672 O LYS A 44 -1.377 -5.796 10.599 1.00 0.00 O ATOM 673 CB LYS A 44 0.408 -3.177 11.566 1.00 0.00 C ATOM 674 CG LYS A 44 -0.522 -3.629 12.693 1.00 0.00 C ATOM 675 CD LYS A 44 -0.569 -2.591 13.815 1.00 0.00 C ATOM 676 CE LYS A 44 0.790 -2.478 14.515 1.00 0.00 C ATOM 677 NZ LYS A 44 1.061 -3.691 15.317 1.00 0.00 N ATOM 0 H LYS A 44 1.029 -2.519 9.262 1.00 0.00 H new ATOM 0 HA LYS A 44 0.996 -4.994 10.679 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.429 -3.101 11.941 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.118 -2.183 11.227 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.526 -3.789 12.299 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.179 -4.584 13.091 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.854 -1.621 13.407 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.334 -2.868 14.540 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.577 -2.341 13.774 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.802 -1.599 15.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.866 -3.515 15.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.220 -3.929 15.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.288 -4.483 14.682 1.00 0.00 H new ATOM 689 N GLU A 45 -1.797 -3.967 9.338 1.00 0.00 N ATOM 690 CA GLU A 45 -3.147 -4.379 8.992 1.00 0.00 C ATOM 691 C GLU A 45 -3.137 -5.791 8.403 1.00 0.00 C ATOM 692 O GLU A 45 -3.811 -6.685 8.913 1.00 0.00 O ATOM 693 CB GLU A 45 -3.792 -3.386 8.023 1.00 0.00 C ATOM 694 CG GLU A 45 -5.316 -3.526 8.026 1.00 0.00 C ATOM 695 CD GLU A 45 -5.736 -4.954 7.671 1.00 0.00 C ATOM 696 OE1 GLU A 45 -5.997 -5.766 8.571 1.00 0.00 O ATOM 697 OE2 GLU A 45 -5.786 -5.210 6.407 1.00 0.00 O ATOM 0 H GLU A 45 -1.508 -3.074 8.938 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.747 -4.390 9.902 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.516 -2.369 8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.410 -3.555 7.016 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.707 -3.262 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.750 -2.827 7.311 1.00 0.00 H new ATOM 705 N PHE A 46 -2.365 -5.949 7.338 1.00 0.00 N ATOM 706 CA PHE A 46 -2.258 -7.237 6.676 1.00 0.00 C ATOM 707 C PHE A 46 -1.439 -8.219 7.517 1.00 0.00 C ATOM 708 O PHE A 46 -1.821 -9.379 7.669 1.00 0.00 O ATOM 709 CB PHE A 46 -1.537 -6.998 5.347 1.00 0.00 C ATOM 710 CG PHE A 46 -2.477 -6.792 4.158 1.00 0.00 C ATOM 711 CD1 PHE A 46 -3.681 -6.185 4.341 1.00 0.00 C ATOM 712 CD2 PHE A 46 -2.111 -7.216 2.919 1.00 0.00 C ATOM 713 CE1 PHE A 46 -4.554 -5.994 3.236 1.00 0.00 C ATOM 714 CE2 PHE A 46 -2.984 -7.025 1.816 1.00 0.00 C ATOM 715 CZ PHE A 46 -4.188 -6.417 1.997 1.00 0.00 C ATOM 0 H PHE A 46 -1.807 -5.206 6.917 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.250 -7.664 6.530 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.895 -6.122 5.446 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.887 -7.848 5.140 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.973 -5.849 5.325 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.156 -7.698 2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.510 -5.512 3.381 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.692 -7.362 0.832 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.852 -6.271 1.158 1.00 0.00 H new ATOM 725 N ASP A 47 -0.329 -7.719 8.039 1.00 0.00 N ATOM 726 CA ASP A 47 0.547 -8.539 8.859 1.00 0.00 C ATOM 727 C ASP A 47 -0.282 -9.238 9.940 1.00 0.00 C ATOM 728 O ASP A 47 0.097 -10.303 10.426 1.00 0.00 O ATOM 729 CB ASP A 47 1.608 -7.685 9.556 1.00 0.00 C ATOM 730 CG ASP A 47 2.912 -7.511 8.775 1.00 0.00 C ATOM 731 OD1 ASP A 47 2.903 -7.177 7.581 1.00 0.00 O ATOM 732 OD2 ASP A 47 3.987 -7.739 9.452 1.00 0.00 O ATOM 0 H ASP A 47 -0.016 -6.757 7.910 1.00 0.00 H new ATOM 0 HA ASP A 47 1.037 -9.264 8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.187 -6.700 9.755 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.838 -8.134 10.522 1.00 0.00 H new ATOM 738 N LYS A 48 -1.396 -8.610 10.285 1.00 0.00 N ATOM 739 CA LYS A 48 -2.281 -9.158 11.300 1.00 0.00 C ATOM 740 C LYS A 48 -2.453 -10.661 11.061 1.00 0.00 C ATOM 741 O LYS A 48 -1.735 -11.472 11.642 1.00 0.00 O ATOM 742 CB LYS A 48 -3.599 -8.385 11.334 1.00 0.00 C ATOM 743 CG LYS A 48 -3.397 -6.980 11.905 1.00 0.00 C ATOM 744 CD LYS A 48 -4.343 -6.721 13.079 1.00 0.00 C ATOM 745 CE LYS A 48 -3.594 -6.102 14.261 1.00 0.00 C ATOM 746 NZ LYS A 48 -3.947 -6.796 15.519 1.00 0.00 N ATOM 0 H LYS A 48 -1.707 -7.727 9.880 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.845 -9.040 12.292 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.010 -8.316 10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.326 -8.926 11.939 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.364 -6.863 12.233 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.569 -6.239 11.125 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.146 -6.055 12.763 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.809 -7.657 13.389 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.519 -6.167 14.092 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.841 -5.043 14.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.430 -6.363 16.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.970 -6.712 15.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.689 -7.801 15.445 1.00 0.00 H new ATOM 758 N LYS A 49 -3.412 -10.984 10.205 1.00 0.00 N ATOM 759 CA LYS A 49 -3.688 -12.374 9.883 1.00 0.00 C ATOM 760 C LYS A 49 -3.864 -12.516 8.369 1.00 0.00 C ATOM 761 O LYS A 49 -4.971 -12.750 7.887 1.00 0.00 O ATOM 762 CB LYS A 49 -4.885 -12.883 10.690 1.00 0.00 C ATOM 763 CG LYS A 49 -6.101 -11.975 10.500 1.00 0.00 C ATOM 764 CD LYS A 49 -7.332 -12.786 10.092 1.00 0.00 C ATOM 765 CE LYS A 49 -8.197 -12.009 9.097 1.00 0.00 C ATOM 766 NZ LYS A 49 -9.514 -11.690 9.691 1.00 0.00 N ATOM 0 H LYS A 49 -4.007 -10.308 9.725 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.847 -13.006 10.169 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.133 -13.898 10.379 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.622 -12.929 11.747 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.306 -11.437 11.426 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.885 -11.227 9.738 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.018 -13.730 9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.920 -13.031 10.977 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.690 -11.089 8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.334 -12.597 8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.087 -11.163 9.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.003 -12.572 9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.379 -11.111 10.544 1.00 0.00 H new ATOM 778 N TYR A 50 -2.753 -12.369 7.661 1.00 0.00 N ATOM 779 CA TYR A 50 -2.770 -12.478 6.213 1.00 0.00 C ATOM 780 C TYR A 50 -1.574 -13.291 5.710 1.00 0.00 C ATOM 781 O TYR A 50 -1.739 -14.409 5.227 1.00 0.00 O ATOM 782 CB TYR A 50 -2.660 -11.048 5.679 1.00 0.00 C ATOM 783 CG TYR A 50 -3.160 -10.878 4.244 1.00 0.00 C ATOM 784 CD1 TYR A 50 -2.691 -11.709 3.246 1.00 0.00 C ATOM 785 CD2 TYR A 50 -4.081 -9.895 3.945 1.00 0.00 C ATOM 786 CE1 TYR A 50 -3.162 -11.549 1.895 1.00 0.00 C ATOM 787 CE2 TYR A 50 -4.553 -9.734 2.594 1.00 0.00 C ATOM 788 CZ TYR A 50 -4.069 -10.571 1.636 1.00 0.00 C ATOM 789 OH TYR A 50 -4.513 -10.418 0.359 1.00 0.00 O ATOM 0 H TYR A 50 -1.836 -12.175 8.064 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.677 -12.980 5.878 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.227 -10.383 6.331 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.618 -10.732 5.729 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.971 -12.479 3.479 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.449 -9.245 4.725 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.802 -12.192 1.105 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.273 -8.968 2.347 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.447 -10.710 0.300 1.00 0.00 H new ATOM 799 N ASN A 51 -0.397 -12.694 5.841 1.00 0.00 N ATOM 800 CA ASN A 51 0.824 -13.349 5.408 1.00 0.00 C ATOM 801 C ASN A 51 2.022 -12.455 5.739 1.00 0.00 C ATOM 802 O ASN A 51 2.643 -11.886 4.844 1.00 0.00 O ATOM 803 CB ASN A 51 0.815 -13.585 3.895 1.00 0.00 C ATOM 804 CG ASN A 51 1.652 -14.812 3.527 1.00 0.00 C ATOM 805 OD1 ASN A 51 2.778 -14.982 3.966 1.00 0.00 O ATOM 806 ND2 ASN A 51 1.041 -15.654 2.700 1.00 0.00 N ATOM 0 H ASN A 51 -0.265 -11.765 6.241 1.00 0.00 H new ATOM 0 HA ASN A 51 0.894 -14.307 5.923 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.210 -13.723 3.551 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.207 -12.706 3.384 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.516 -16.504 2.395 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.097 -15.451 2.371 1.00 0.00 H new ATOM 813 N PRO A 52 2.316 -12.356 7.064 1.00 0.00 N ATOM 814 CA PRO A 52 3.426 -11.542 7.525 1.00 0.00 C ATOM 815 C PRO A 52 4.765 -12.230 7.244 1.00 0.00 C ATOM 816 O PRO A 52 4.813 -13.443 7.050 1.00 0.00 O ATOM 817 CB PRO A 52 3.168 -11.329 9.008 1.00 0.00 C ATOM 818 CG PRO A 52 2.183 -12.409 9.419 1.00 0.00 C ATOM 819 CD PRO A 52 1.601 -13.016 8.152 1.00 0.00 C ATOM 0 HA PRO A 52 3.492 -10.587 7.004 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.093 -11.406 9.580 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.759 -10.336 9.195 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.682 -13.174 10.014 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.392 -11.988 10.039 1.00 0.00 H new ATOM 0 HD2 PRO A 52 1.749 -14.096 8.126 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.527 -12.840 8.085 1.00 0.00 H new ATOM 827 N THR A 53 5.815 -11.424 7.229 1.00 0.00 N ATOM 828 CA THR A 53 5.669 -9.998 7.467 1.00 0.00 C ATOM 829 C THR A 53 5.647 -9.235 6.142 1.00 0.00 C ATOM 830 O THR A 53 6.215 -9.690 5.149 1.00 0.00 O ATOM 831 CB THR A 53 6.796 -9.556 8.403 1.00 0.00 C ATOM 832 OG1 THR A 53 6.578 -8.158 8.573 1.00 0.00 O ATOM 833 CG2 THR A 53 8.173 -9.641 7.742 1.00 0.00 C ATOM 0 H THR A 53 6.772 -11.731 7.056 1.00 0.00 H new ATOM 0 HA THR A 53 4.718 -9.774 7.951 1.00 0.00 H new ATOM 0 HB THR A 53 6.786 -10.174 9.301 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.656 -8.004 8.867 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.937 -9.316 8.449 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.370 -10.670 7.443 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.195 -8.997 6.863 1.00 0.00 H new ATOM 841 N TRP A 54 4.984 -8.087 6.166 1.00 0.00 N ATOM 842 CA TRP A 54 4.881 -7.257 4.977 1.00 0.00 C ATOM 843 C TRP A 54 5.836 -6.075 5.143 1.00 0.00 C ATOM 844 O TRP A 54 6.376 -5.854 6.227 1.00 0.00 O ATOM 845 CB TRP A 54 3.433 -6.826 4.734 1.00 0.00 C ATOM 846 CG TRP A 54 2.468 -7.989 4.500 1.00 0.00 C ATOM 847 CD1 TRP A 54 2.057 -8.913 5.381 1.00 0.00 C ATOM 848 CD2 TRP A 54 1.805 -8.321 3.262 1.00 0.00 C ATOM 849 NE1 TRP A 54 1.182 -9.809 4.804 1.00 0.00 N ATOM 850 CE2 TRP A 54 1.023 -9.438 3.474 1.00 0.00 C ATOM 851 CE3 TRP A 54 1.862 -7.696 2.003 1.00 0.00 C ATOM 852 CZ2 TRP A 54 0.242 -10.029 2.475 1.00 0.00 C ATOM 853 CZ3 TRP A 54 1.077 -8.298 1.015 1.00 0.00 C ATOM 854 CH2 TRP A 54 0.285 -9.424 1.213 1.00 0.00 C ATOM 0 H TRP A 54 4.513 -7.713 6.990 1.00 0.00 H new ATOM 0 HA TRP A 54 5.171 -7.817 4.088 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.088 -6.248 5.592 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.402 -6.163 3.870 1.00 0.00 H new ATOM 0 HD1 TRP A 54 2.372 -8.951 6.413 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.734 -10.599 5.268 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.465 -6.820 1.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.361 -10.904 2.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.086 -7.858 0.029 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.294 -9.830 0.397 1.00 0.00 H new ATOM 865 N HIS A 55 6.019 -5.344 4.051 1.00 0.00 N ATOM 866 CA HIS A 55 6.900 -4.192 4.061 1.00 0.00 C ATOM 867 C HIS A 55 6.282 -3.064 3.229 1.00 0.00 C ATOM 868 O HIS A 55 6.090 -3.214 2.023 1.00 0.00 O ATOM 869 CB HIS A 55 8.303 -4.575 3.590 1.00 0.00 C ATOM 870 CG HIS A 55 9.024 -5.528 4.513 1.00 0.00 C ATOM 871 ND1 HIS A 55 9.786 -5.101 5.585 1.00 0.00 N ATOM 872 CD2 HIS A 55 9.087 -6.891 4.515 1.00 0.00 C ATOM 873 CE1 HIS A 55 10.282 -6.167 6.198 1.00 0.00 C ATOM 874 NE2 HIS A 55 9.847 -7.275 5.531 1.00 0.00 N ATOM 0 H HIS A 55 5.570 -5.530 3.154 1.00 0.00 H new ATOM 0 HA HIS A 55 7.011 -3.825 5.081 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.232 -5.028 2.601 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.899 -3.669 3.483 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.600 -7.546 3.808 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.918 -6.160 7.071 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.070 -8.240 5.774 1.00 0.00 H new ATOM 882 N CYS A 56 5.988 -1.965 3.906 1.00 0.00 N ATOM 883 CA CYS A 56 5.396 -0.816 3.244 1.00 0.00 C ATOM 884 C CYS A 56 6.416 0.325 3.257 1.00 0.00 C ATOM 885 O CYS A 56 7.151 0.493 4.229 1.00 0.00 O ATOM 886 CB CYS A 56 4.074 -0.407 3.897 1.00 0.00 C ATOM 887 SG CYS A 56 3.144 0.709 2.782 1.00 0.00 S ATOM 0 H CYS A 56 6.149 -1.846 4.906 1.00 0.00 H new ATOM 0 HA CYS A 56 5.153 -1.072 2.213 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.479 -1.293 4.118 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.267 0.092 4.847 1.00 0.00 H new ATOM 0 HG CYS A 56 3.671 0.674 1.594 1.00 0.00 H new ATOM 893 N ILE A 57 6.427 1.080 2.170 1.00 0.00 N ATOM 894 CA ILE A 57 7.345 2.200 2.044 1.00 0.00 C ATOM 895 C ILE A 57 6.567 3.444 1.610 1.00 0.00 C ATOM 896 O ILE A 57 5.539 3.338 0.943 1.00 0.00 O ATOM 897 CB ILE A 57 8.502 1.841 1.110 1.00 0.00 C ATOM 898 CG1 ILE A 57 9.383 0.750 1.723 1.00 0.00 C ATOM 899 CG2 ILE A 57 9.309 3.086 0.736 1.00 0.00 C ATOM 900 CD1 ILE A 57 10.070 1.251 2.995 1.00 0.00 C ATOM 0 H ILE A 57 5.814 0.939 1.367 1.00 0.00 H new ATOM 0 HA ILE A 57 7.802 2.429 3.007 1.00 0.00 H new ATOM 0 HB ILE A 57 8.085 1.437 0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.776 -0.126 1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.135 0.435 0.999 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.126 2.804 0.071 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.661 3.802 0.231 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.716 3.540 1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 57 10.690 0.457 3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 57 10.695 2.112 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.315 1.542 3.726 1.00 0.00 H new ATOM 912 N VAL A 58 7.089 4.596 2.006 1.00 0.00 N ATOM 913 CA VAL A 58 6.455 5.859 1.666 1.00 0.00 C ATOM 914 C VAL A 58 7.527 6.856 1.217 1.00 0.00 C ATOM 915 O VAL A 58 8.709 6.521 1.165 1.00 0.00 O ATOM 916 CB VAL A 58 5.627 6.365 2.848 1.00 0.00 C ATOM 917 CG1 VAL A 58 6.521 7.020 3.904 1.00 0.00 C ATOM 918 CG2 VAL A 58 4.534 7.328 2.380 1.00 0.00 C ATOM 0 H VAL A 58 7.942 4.681 2.558 1.00 0.00 H new ATOM 0 HA VAL A 58 5.762 5.727 0.835 1.00 0.00 H new ATOM 0 HB VAL A 58 5.140 5.505 3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.907 7.371 4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.244 6.292 4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.049 7.864 3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.960 7.673 3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.991 8.183 1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.871 6.815 1.683 1.00 0.00 H new ATOM 928 N GLY A 59 7.074 8.061 0.903 1.00 0.00 N ATOM 929 CA GLY A 59 7.978 9.109 0.461 1.00 0.00 C ATOM 930 C GLY A 59 7.465 9.770 -0.820 1.00 0.00 C ATOM 931 O GLY A 59 6.374 10.338 -0.836 1.00 0.00 O ATOM 0 H GLY A 59 6.092 8.335 0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.082 9.859 1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.969 8.690 0.287 1.00 0.00 H new ATOM 935 N ARG A 60 8.277 9.676 -1.862 1.00 0.00 N ATOM 936 CA ARG A 60 7.920 10.258 -3.145 1.00 0.00 C ATOM 937 C ARG A 60 8.656 9.541 -4.278 1.00 0.00 C ATOM 938 O ARG A 60 8.828 10.098 -5.361 1.00 0.00 O ATOM 939 CB ARG A 60 8.262 11.750 -3.187 1.00 0.00 C ATOM 940 CG ARG A 60 7.017 12.589 -3.481 1.00 0.00 C ATOM 941 CD ARG A 60 7.375 14.071 -3.613 1.00 0.00 C ATOM 942 NE ARG A 60 7.845 14.358 -4.985 1.00 0.00 N ATOM 943 CZ ARG A 60 8.588 15.435 -5.322 1.00 0.00 C ATOM 944 NH1 ARG A 60 8.950 16.336 -4.386 1.00 0.00 N ATOM 945 NH2 ARG A 60 8.953 15.592 -6.580 1.00 0.00 N ATOM 0 H ARG A 60 9.182 9.205 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 60 6.844 10.139 -3.275 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.694 12.055 -2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.017 11.932 -3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.548 12.241 -4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.288 12.457 -2.682 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.505 14.686 -3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.150 14.332 -2.892 1.00 0.00 H new ATOM 0 HE ARG A 60 7.592 13.702 -5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.663 16.207 -3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.511 17.146 -4.648 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.674 14.906 -7.281 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.514 16.400 -6.851 1.00 0.00 H new ATOM 958 N ASN A 61 9.070 8.316 -3.989 1.00 0.00 N ATOM 959 CA ASN A 61 9.782 7.517 -4.970 1.00 0.00 C ATOM 960 C ASN A 61 9.173 6.115 -5.022 1.00 0.00 C ATOM 961 O ASN A 61 8.364 5.756 -4.167 1.00 0.00 O ATOM 962 CB ASN A 61 11.260 7.376 -4.596 1.00 0.00 C ATOM 963 CG ASN A 61 11.420 6.666 -3.252 1.00 0.00 C ATOM 964 OD1 ASN A 61 10.639 6.842 -2.330 1.00 0.00 O ATOM 965 ND2 ASN A 61 12.474 5.857 -3.189 1.00 0.00 N ATOM 0 H ASN A 61 8.926 7.858 -3.089 1.00 0.00 H new ATOM 0 HA ASN A 61 9.698 8.016 -5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.783 6.816 -5.371 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.722 8.362 -4.548 1.00 0.00 H new ATOM 0 HD21 ASN A 61 12.668 5.338 -2.332 1.00 0.00 H new ATOM 0 HD22 ASN A 61 13.088 5.755 -3.997 1.00 0.00 H new ATOM 972 N PHE A 62 9.584 5.361 -6.030 1.00 0.00 N ATOM 973 CA PHE A 62 9.087 4.006 -6.203 1.00 0.00 C ATOM 974 C PHE A 62 10.087 3.152 -6.986 1.00 0.00 C ATOM 975 O PHE A 62 10.059 3.129 -8.215 1.00 0.00 O ATOM 976 CB PHE A 62 7.785 4.105 -7.001 1.00 0.00 C ATOM 977 CG PHE A 62 7.411 2.821 -7.743 1.00 0.00 C ATOM 978 CD1 PHE A 62 7.183 1.675 -7.046 1.00 0.00 C ATOM 979 CD2 PHE A 62 7.305 2.825 -9.098 1.00 0.00 C ATOM 980 CE1 PHE A 62 6.835 0.483 -7.735 1.00 0.00 C ATOM 981 CE2 PHE A 62 6.958 1.634 -9.787 1.00 0.00 C ATOM 982 CZ PHE A 62 6.730 0.488 -9.092 1.00 0.00 C ATOM 0 H PHE A 62 10.256 5.662 -6.736 1.00 0.00 H new ATOM 0 HA PHE A 62 8.933 3.539 -5.230 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.974 4.370 -6.322 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.874 4.917 -7.723 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.267 1.672 -5.969 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.485 3.735 -9.651 1.00 0.00 H new ATOM 0 HE1 PHE A 62 6.654 -0.427 -7.182 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.875 1.638 -10.864 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.466 -0.418 -9.617 1.00 0.00 H new ATOM 992 N GLY A 63 10.944 2.471 -6.241 1.00 0.00 N ATOM 993 CA GLY A 63 11.951 1.618 -6.850 1.00 0.00 C ATOM 994 C GLY A 63 11.993 0.248 -6.169 1.00 0.00 C ATOM 995 O GLY A 63 12.881 -0.023 -5.364 1.00 0.00 O ATOM 0 H GLY A 63 10.962 2.492 -5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 63 11.735 1.494 -7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 63 12.929 2.094 -6.777 1.00 0.00 H new ATOM 999 N SER A 64 11.019 -0.580 -6.518 1.00 0.00 N ATOM 1000 CA SER A 64 10.933 -1.916 -5.950 1.00 0.00 C ATOM 1001 C SER A 64 9.811 -2.702 -6.630 1.00 0.00 C ATOM 1002 O SER A 64 8.722 -2.842 -6.075 1.00 0.00 O ATOM 1003 CB SER A 64 10.701 -1.859 -4.439 1.00 0.00 C ATOM 1004 OG SER A 64 9.795 -0.821 -4.078 1.00 0.00 O ATOM 0 H SER A 64 10.283 -0.352 -7.186 1.00 0.00 H new ATOM 0 HA SER A 64 11.882 -2.424 -6.125 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.310 -2.817 -4.096 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.653 -1.702 -3.932 1.00 0.00 H new ATOM 0 HG SER A 64 8.949 -0.944 -4.558 1.00 0.00 H new ATOM 1010 N TYR A 65 10.112 -3.194 -7.823 1.00 0.00 N ATOM 1011 CA TYR A 65 9.142 -3.962 -8.584 1.00 0.00 C ATOM 1012 C TYR A 65 9.832 -4.814 -9.652 1.00 0.00 C ATOM 1013 O TYR A 65 9.522 -5.994 -9.806 1.00 0.00 O ATOM 1014 CB TYR A 65 8.239 -2.937 -9.272 1.00 0.00 C ATOM 1015 CG TYR A 65 6.850 -3.471 -9.629 1.00 0.00 C ATOM 1016 CD1 TYR A 65 6.714 -4.452 -10.591 1.00 0.00 C ATOM 1017 CD2 TYR A 65 5.734 -2.973 -8.989 1.00 0.00 C ATOM 1018 CE1 TYR A 65 5.408 -4.954 -10.927 1.00 0.00 C ATOM 1019 CE2 TYR A 65 4.426 -3.476 -9.325 1.00 0.00 C ATOM 1020 CZ TYR A 65 4.328 -4.442 -10.277 1.00 0.00 C ATOM 1021 OH TYR A 65 3.094 -4.917 -10.594 1.00 0.00 O ATOM 0 H TYR A 65 11.015 -3.075 -8.281 1.00 0.00 H new ATOM 0 HA TYR A 65 8.588 -4.635 -7.930 1.00 0.00 H new ATOM 0 HB2 TYR A 65 8.127 -2.071 -8.620 1.00 0.00 H new ATOM 0 HB3 TYR A 65 8.728 -2.590 -10.182 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.588 -4.843 -11.091 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.841 -2.206 -8.236 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.288 -5.720 -11.679 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.544 -3.095 -8.832 1.00 0.00 H new ATOM 0 HH TYR A 65 3.183 -5.781 -11.049 1.00 0.00 H new ATOM 1031 N VAL A 66 10.757 -4.181 -10.360 1.00 0.00 N ATOM 1032 CA VAL A 66 11.494 -4.866 -11.409 1.00 0.00 C ATOM 1033 C VAL A 66 12.989 -4.821 -11.089 1.00 0.00 C ATOM 1034 O VAL A 66 13.782 -4.317 -11.883 1.00 0.00 O ATOM 1035 CB VAL A 66 11.154 -4.256 -12.770 1.00 0.00 C ATOM 1036 CG1 VAL A 66 11.603 -5.174 -13.909 1.00 0.00 C ATOM 1037 CG2 VAL A 66 9.660 -3.945 -12.874 1.00 0.00 C ATOM 0 H VAL A 66 11.013 -3.202 -10.228 1.00 0.00 H new ATOM 0 HA VAL A 66 11.204 -5.916 -11.457 1.00 0.00 H new ATOM 0 HB VAL A 66 11.699 -3.316 -12.861 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.350 -4.717 -14.866 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.681 -5.323 -13.852 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.098 -6.136 -13.821 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.446 -3.512 -13.851 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.088 -4.864 -12.751 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.381 -3.236 -12.094 1.00 0.00 H new ATOM 1047 N THR A 67 13.329 -5.352 -9.923 1.00 0.00 N ATOM 1048 CA THR A 67 14.715 -5.377 -9.489 1.00 0.00 C ATOM 1049 C THR A 67 14.970 -6.590 -8.591 1.00 0.00 C ATOM 1050 O THR A 67 15.763 -7.464 -8.935 1.00 0.00 O ATOM 1051 CB THR A 67 15.022 -4.041 -8.809 1.00 0.00 C ATOM 1052 OG1 THR A 67 15.236 -3.140 -9.891 1.00 0.00 O ATOM 1053 CG2 THR A 67 16.360 -4.055 -8.066 1.00 0.00 C ATOM 0 H THR A 67 12.669 -5.768 -9.266 1.00 0.00 H new ATOM 0 HA THR A 67 15.393 -5.490 -10.335 1.00 0.00 H new ATOM 0 HB THR A 67 14.221 -3.798 -8.110 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.879 -3.529 -10.716 1.00 0.00 H new ATOM 0 HG21 THR A 67 16.529 -3.083 -7.602 1.00 0.00 H new ATOM 0 HG22 THR A 67 16.341 -4.826 -7.296 1.00 0.00 H new ATOM 0 HG23 THR A 67 17.165 -4.265 -8.770 1.00 0.00 H new ATOM 1061 N HIS A 68 14.284 -6.602 -7.459 1.00 0.00 N ATOM 1062 CA HIS A 68 14.426 -7.691 -6.510 1.00 0.00 C ATOM 1063 C HIS A 68 13.170 -8.566 -6.540 1.00 0.00 C ATOM 1064 O HIS A 68 13.246 -9.774 -6.320 1.00 0.00 O ATOM 1065 CB HIS A 68 14.741 -7.158 -5.111 1.00 0.00 C ATOM 1066 CG HIS A 68 16.217 -7.072 -4.805 1.00 0.00 C ATOM 1067 ND1 HIS A 68 17.074 -8.150 -4.937 1.00 0.00 N ATOM 1068 CD2 HIS A 68 16.979 -6.026 -4.373 1.00 0.00 C ATOM 1069 CE1 HIS A 68 18.293 -7.759 -4.597 1.00 0.00 C ATOM 1070 NE2 HIS A 68 18.232 -6.443 -4.247 1.00 0.00 N ATOM 0 H HIS A 68 13.627 -5.874 -7.177 1.00 0.00 H new ATOM 0 HA HIS A 68 15.271 -8.317 -6.796 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.300 -6.167 -5.003 1.00 0.00 H new ATOM 0 HB3 HIS A 68 14.264 -7.802 -4.372 1.00 0.00 H new ATOM 0 HD2 HIS A 68 16.622 -5.027 -4.168 1.00 0.00 H new ATOM 0 HE1 HIS A 68 19.180 -8.375 -4.597 1.00 0.00 H new ATOM 0 HE2 HIS A 68 19.020 -5.873 -3.939 1.00 0.00 H new ATOM 1078 N GLU A 69 12.046 -7.923 -6.816 1.00 0.00 N ATOM 1079 CA GLU A 69 10.776 -8.627 -6.879 1.00 0.00 C ATOM 1080 C GLU A 69 10.444 -9.245 -5.519 1.00 0.00 C ATOM 1081 O GLU A 69 11.344 -9.589 -4.754 1.00 0.00 O ATOM 1082 CB GLU A 69 10.794 -9.693 -7.976 1.00 0.00 C ATOM 1083 CG GLU A 69 10.854 -9.050 -9.363 1.00 0.00 C ATOM 1084 CD GLU A 69 10.111 -9.902 -10.396 1.00 0.00 C ATOM 1085 OE1 GLU A 69 8.928 -10.219 -10.202 1.00 0.00 O ATOM 1086 OE2 GLU A 69 10.807 -10.237 -11.429 1.00 0.00 O ATOM 0 H GLU A 69 11.988 -6.921 -6.999 1.00 0.00 H new ATOM 0 HA GLU A 69 9.996 -7.908 -7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.654 -10.348 -7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.903 -10.316 -7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.415 -8.053 -9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.894 -8.929 -9.667 1.00 0.00 H new ATOM 1094 N THR A 70 9.151 -9.368 -5.262 1.00 0.00 N ATOM 1095 CA THR A 70 8.689 -9.939 -4.007 1.00 0.00 C ATOM 1096 C THR A 70 7.571 -10.953 -4.262 1.00 0.00 C ATOM 1097 O THR A 70 7.554 -11.616 -5.298 1.00 0.00 O ATOM 1098 CB THR A 70 8.270 -8.790 -3.090 1.00 0.00 C ATOM 1099 OG1 THR A 70 7.034 -8.341 -3.641 1.00 0.00 O ATOM 1100 CG2 THR A 70 9.195 -7.577 -3.211 1.00 0.00 C ATOM 0 H THR A 70 8.408 -9.083 -5.900 1.00 0.00 H new ATOM 0 HA THR A 70 9.483 -10.496 -3.510 1.00 0.00 H new ATOM 0 HB THR A 70 8.259 -9.135 -2.056 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.115 -8.276 -4.616 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.853 -6.790 -2.539 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.211 -7.866 -2.943 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.181 -7.209 -4.237 1.00 0.00 H new ATOM 1108 N ARG A 71 6.664 -11.040 -3.300 1.00 0.00 N ATOM 1109 CA ARG A 71 5.545 -11.960 -3.408 1.00 0.00 C ATOM 1110 C ARG A 71 4.299 -11.224 -3.905 1.00 0.00 C ATOM 1111 O ARG A 71 3.777 -11.533 -4.975 1.00 0.00 O ATOM 1112 CB ARG A 71 5.239 -12.615 -2.059 1.00 0.00 C ATOM 1113 CG ARG A 71 6.166 -13.804 -1.804 1.00 0.00 C ATOM 1114 CD ARG A 71 5.463 -15.126 -2.114 1.00 0.00 C ATOM 1115 NE ARG A 71 6.410 -16.252 -1.964 1.00 0.00 N ATOM 1116 CZ ARG A 71 6.074 -17.551 -2.116 1.00 0.00 C ATOM 1117 NH1 ARG A 71 4.806 -17.898 -2.426 1.00 0.00 N ATOM 1118 NH2 ARG A 71 7.002 -18.475 -1.958 1.00 0.00 N ATOM 0 H ARG A 71 6.681 -10.488 -2.442 1.00 0.00 H new ATOM 0 HA ARG A 71 5.821 -12.736 -4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.354 -11.882 -1.260 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.201 -12.948 -2.039 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.060 -13.711 -2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.493 -13.798 -0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.615 -15.262 -1.443 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.066 -15.107 -3.129 1.00 0.00 H new ATOM 0 HE ARG A 71 7.379 -16.033 -1.731 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.095 -17.177 -2.547 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.560 -18.881 -2.539 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.957 -18.204 -1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.764 -19.461 -2.069 1.00 0.00 H new ATOM 1131 N HIS A 72 3.857 -10.267 -3.104 1.00 0.00 N ATOM 1132 CA HIS A 72 2.682 -9.484 -3.449 1.00 0.00 C ATOM 1133 C HIS A 72 2.909 -8.020 -3.067 1.00 0.00 C ATOM 1134 O HIS A 72 3.088 -7.703 -1.893 1.00 0.00 O ATOM 1135 CB HIS A 72 1.427 -10.078 -2.806 1.00 0.00 C ATOM 1136 CG HIS A 72 0.774 -11.166 -3.623 1.00 0.00 C ATOM 1137 ND1 HIS A 72 0.156 -10.924 -4.837 1.00 0.00 N ATOM 1138 CD2 HIS A 72 0.650 -12.504 -3.388 1.00 0.00 C ATOM 1139 CE1 HIS A 72 -0.316 -12.071 -5.303 1.00 0.00 C ATOM 1140 NE2 HIS A 72 -0.010 -13.049 -4.403 1.00 0.00 N ATOM 0 H HIS A 72 4.291 -10.015 -2.216 1.00 0.00 H new ATOM 0 HA HIS A 72 2.520 -9.520 -4.526 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.689 -10.480 -1.827 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.704 -9.279 -2.640 1.00 0.00 H new ATOM 0 HD2 HIS A 72 1.025 -13.031 -2.523 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.849 -12.207 -6.232 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.249 -14.036 -4.495 1.00 0.00 H new ATOM 1148 N PHE A 73 2.893 -7.169 -4.082 1.00 0.00 N ATOM 1149 CA PHE A 73 3.095 -5.746 -3.868 1.00 0.00 C ATOM 1150 C PHE A 73 1.980 -4.929 -4.521 1.00 0.00 C ATOM 1151 O PHE A 73 1.210 -5.454 -5.324 1.00 0.00 O ATOM 1152 CB PHE A 73 4.429 -5.380 -4.520 1.00 0.00 C ATOM 1153 CG PHE A 73 4.770 -6.219 -5.753 1.00 0.00 C ATOM 1154 CD1 PHE A 73 3.854 -6.369 -6.748 1.00 0.00 C ATOM 1155 CD2 PHE A 73 5.988 -6.814 -5.856 1.00 0.00 C ATOM 1156 CE1 PHE A 73 4.169 -7.147 -7.892 1.00 0.00 C ATOM 1157 CE2 PHE A 73 6.304 -7.592 -7.002 1.00 0.00 C ATOM 1158 CZ PHE A 73 5.387 -7.742 -7.995 1.00 0.00 C ATOM 0 H PHE A 73 2.743 -7.437 -5.055 1.00 0.00 H new ATOM 0 HA PHE A 73 3.091 -5.527 -2.800 1.00 0.00 H new ATOM 0 HB2 PHE A 73 4.406 -4.328 -4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 73 5.225 -5.494 -3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.887 -5.896 -6.667 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.715 -6.695 -5.067 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.441 -7.266 -8.681 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.272 -8.064 -7.085 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.627 -8.334 -8.866 1.00 0.00 H new ATOM 1168 N ILE A 74 1.928 -3.656 -4.156 1.00 0.00 N ATOM 1169 CA ILE A 74 0.920 -2.762 -4.698 1.00 0.00 C ATOM 1170 C ILE A 74 1.374 -1.313 -4.504 1.00 0.00 C ATOM 1171 O ILE A 74 1.605 -0.875 -3.379 1.00 0.00 O ATOM 1172 CB ILE A 74 -0.449 -3.064 -4.085 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -1.396 -1.872 -4.245 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -0.312 -3.496 -2.624 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -2.763 -2.172 -3.626 1.00 0.00 C ATOM 0 H ILE A 74 2.569 -3.223 -3.491 1.00 0.00 H new ATOM 0 HA ILE A 74 0.806 -2.921 -5.770 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.890 -3.900 -4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.963 -0.992 -3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.515 -1.637 -5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.299 -3.705 -2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.302 -4.394 -2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.159 -2.697 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.417 -1.309 -3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.204 -3.038 -4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.643 -2.383 -2.563 1.00 0.00 H new ATOM 1187 N TYR A 75 1.488 -0.608 -5.621 1.00 0.00 N ATOM 1188 CA TYR A 75 1.908 0.781 -5.590 1.00 0.00 C ATOM 1189 C TYR A 75 0.779 1.707 -6.044 1.00 0.00 C ATOM 1190 O TYR A 75 0.307 1.607 -7.176 1.00 0.00 O ATOM 1191 CB TYR A 75 3.073 0.892 -6.578 1.00 0.00 C ATOM 1192 CG TYR A 75 3.501 2.331 -6.875 1.00 0.00 C ATOM 1193 CD1 TYR A 75 3.870 3.168 -5.844 1.00 0.00 C ATOM 1194 CD2 TYR A 75 3.517 2.790 -8.176 1.00 0.00 C ATOM 1195 CE1 TYR A 75 4.274 4.522 -6.124 1.00 0.00 C ATOM 1196 CE2 TYR A 75 3.921 4.144 -8.457 1.00 0.00 C ATOM 1197 CZ TYR A 75 4.280 4.942 -7.417 1.00 0.00 C ATOM 1198 OH TYR A 75 4.661 6.220 -7.682 1.00 0.00 O ATOM 0 H TYR A 75 1.296 -0.975 -6.553 1.00 0.00 H new ATOM 0 HA TYR A 75 2.188 1.074 -4.578 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.927 0.344 -6.180 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.791 0.407 -7.513 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.856 2.808 -4.826 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.227 2.134 -8.984 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.565 5.188 -5.325 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.938 4.516 -9.471 1.00 0.00 H new ATOM 0 HH TYR A 75 4.618 6.381 -8.648 1.00 0.00 H new ATOM 1208 N PHE A 76 0.379 2.588 -5.140 1.00 0.00 N ATOM 1209 CA PHE A 76 -0.687 3.531 -5.434 1.00 0.00 C ATOM 1210 C PHE A 76 -0.528 4.812 -4.611 1.00 0.00 C ATOM 1211 O PHE A 76 0.412 4.938 -3.829 1.00 0.00 O ATOM 1212 CB PHE A 76 -2.003 2.852 -5.051 1.00 0.00 C ATOM 1213 CG PHE A 76 -2.013 2.267 -3.638 1.00 0.00 C ATOM 1214 CD1 PHE A 76 -1.154 1.265 -3.311 1.00 0.00 C ATOM 1215 CD2 PHE A 76 -2.881 2.749 -2.707 1.00 0.00 C ATOM 1216 CE1 PHE A 76 -1.162 0.721 -1.999 1.00 0.00 C ATOM 1217 CE2 PHE A 76 -2.890 2.205 -1.396 1.00 0.00 C ATOM 1218 CZ PHE A 76 -2.031 1.202 -1.070 1.00 0.00 C ATOM 0 H PHE A 76 0.774 2.669 -4.203 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.662 3.804 -6.489 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.813 3.576 -5.139 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.210 2.055 -5.765 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.465 0.882 -4.050 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.563 3.545 -2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.479 -0.074 -1.739 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.579 2.587 -0.657 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.039 0.787 -0.073 1.00 0.00 H new ATOM 1228 N TYR A 77 -1.463 5.729 -4.816 1.00 0.00 N ATOM 1229 CA TYR A 77 -1.438 6.995 -4.105 1.00 0.00 C ATOM 1230 C TYR A 77 -2.409 6.977 -2.922 1.00 0.00 C ATOM 1231 O TYR A 77 -3.592 6.683 -3.089 1.00 0.00 O ATOM 1232 CB TYR A 77 -1.898 8.053 -5.109 1.00 0.00 C ATOM 1233 CG TYR A 77 -1.483 9.481 -4.742 1.00 0.00 C ATOM 1234 CD1 TYR A 77 -0.154 9.781 -4.531 1.00 0.00 C ATOM 1235 CD2 TYR A 77 -2.440 10.467 -4.622 1.00 0.00 C ATOM 1236 CE1 TYR A 77 0.236 11.124 -4.187 1.00 0.00 C ATOM 1237 CE2 TYR A 77 -2.052 11.810 -4.277 1.00 0.00 C ATOM 1238 CZ TYR A 77 -0.733 12.071 -4.076 1.00 0.00 C ATOM 1239 OH TYR A 77 -0.365 13.339 -3.751 1.00 0.00 O ATOM 0 H TYR A 77 -2.243 5.620 -5.465 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.440 7.196 -3.714 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.492 7.808 -6.091 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.984 8.011 -5.193 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.595 9.008 -4.624 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -3.481 10.232 -4.787 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.274 11.373 -4.021 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.791 12.591 -4.180 1.00 0.00 H new ATOM 0 HH TYR A 77 0.413 13.311 -3.156 1.00 0.00 H new ATOM 1249 N LEU A 78 -1.872 7.295 -1.753 1.00 0.00 N ATOM 1250 CA LEU A 78 -2.676 7.318 -0.543 1.00 0.00 C ATOM 1251 C LEU A 78 -2.897 8.769 -0.111 1.00 0.00 C ATOM 1252 O LEU A 78 -1.954 9.453 0.286 1.00 0.00 O ATOM 1253 CB LEU A 78 -2.041 6.444 0.540 1.00 0.00 C ATOM 1254 CG LEU A 78 -2.979 5.464 1.249 1.00 0.00 C ATOM 1255 CD1 LEU A 78 -3.750 6.160 2.372 1.00 0.00 C ATOM 1256 CD2 LEU A 78 -3.915 4.782 0.249 1.00 0.00 C ATOM 0 H LEU A 78 -0.891 7.539 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.659 6.887 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.228 5.875 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.596 7.097 1.291 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.374 4.683 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.409 5.442 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.047 6.561 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.344 6.973 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.571 4.091 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.516 5.536 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.325 4.233 -0.485 1.00 0.00 H new ATOM 1268 N GLY A 79 -4.147 9.196 -0.201 1.00 0.00 N ATOM 1269 CA GLY A 79 -4.503 10.554 0.177 1.00 0.00 C ATOM 1270 C GLY A 79 -3.863 11.572 -0.770 1.00 0.00 C ATOM 1271 O GLY A 79 -4.441 11.916 -1.800 1.00 0.00 O ATOM 0 H GLY A 79 -4.927 8.626 -0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.587 10.668 0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.178 10.748 1.199 1.00 0.00 H new ATOM 1275 N GLN A 80 -2.679 12.024 -0.387 1.00 0.00 N ATOM 1276 CA GLN A 80 -1.954 12.995 -1.188 1.00 0.00 C ATOM 1277 C GLN A 80 -0.468 12.633 -1.246 1.00 0.00 C ATOM 1278 O GLN A 80 0.377 13.498 -1.469 1.00 0.00 O ATOM 1279 CB GLN A 80 -2.153 14.412 -0.645 1.00 0.00 C ATOM 1280 CG GLN A 80 -1.524 14.560 0.741 1.00 0.00 C ATOM 1281 CD GLN A 80 -2.515 15.182 1.728 1.00 0.00 C ATOM 1282 OE1 GLN A 80 -2.940 16.318 1.589 1.00 0.00 O ATOM 1283 NE2 GLN A 80 -2.857 14.377 2.730 1.00 0.00 N ATOM 0 H GLN A 80 -2.203 11.736 0.468 1.00 0.00 H new ATOM 0 HA GLN A 80 -2.353 12.971 -2.202 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.707 15.134 -1.330 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -3.218 14.639 -0.591 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.206 13.584 1.106 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.632 15.182 0.675 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.464 13.438 2.786 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -3.512 14.699 3.442 1.00 0.00 H new ATOM 1292 N VAL A 81 -0.195 11.353 -1.040 1.00 0.00 N ATOM 1293 CA VAL A 81 1.174 10.866 -1.067 1.00 0.00 C ATOM 1294 C VAL A 81 1.210 9.497 -1.748 1.00 0.00 C ATOM 1295 O VAL A 81 0.172 8.967 -2.140 1.00 0.00 O ATOM 1296 CB VAL A 81 1.746 10.843 0.352 1.00 0.00 C ATOM 1297 CG1 VAL A 81 1.740 12.243 0.969 1.00 0.00 C ATOM 1298 CG2 VAL A 81 0.987 9.851 1.234 1.00 0.00 C ATOM 0 H VAL A 81 -0.898 10.638 -0.854 1.00 0.00 H new ATOM 0 HA VAL A 81 1.808 11.535 -1.649 1.00 0.00 H new ATOM 0 HB VAL A 81 2.782 10.510 0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.152 12.198 1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.347 12.912 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.717 12.618 1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.414 9.855 2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.063 10.139 1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.068 8.850 0.809 1.00 0.00 H new ATOM 1308 N ALA A 82 2.418 8.964 -1.869 1.00 0.00 N ATOM 1309 CA ALA A 82 2.604 7.667 -2.497 1.00 0.00 C ATOM 1310 C ALA A 82 2.689 6.589 -1.415 1.00 0.00 C ATOM 1311 O ALA A 82 3.012 6.883 -0.264 1.00 0.00 O ATOM 1312 CB ALA A 82 3.850 7.703 -3.383 1.00 0.00 C ATOM 0 H ALA A 82 3.277 9.407 -1.543 1.00 0.00 H new ATOM 0 HA ALA A 82 1.756 7.425 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.990 6.730 -3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.727 8.465 -4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.723 7.940 -2.774 1.00 0.00 H new ATOM 1318 N ILE A 83 2.391 5.364 -1.821 1.00 0.00 N ATOM 1319 CA ILE A 83 2.431 4.240 -0.901 1.00 0.00 C ATOM 1320 C ILE A 83 2.690 2.952 -1.685 1.00 0.00 C ATOM 1321 O ILE A 83 1.933 2.610 -2.592 1.00 0.00 O ATOM 1322 CB ILE A 83 1.156 4.196 -0.054 1.00 0.00 C ATOM 1323 CG1 ILE A 83 1.439 3.617 1.333 1.00 0.00 C ATOM 1324 CG2 ILE A 83 0.042 3.437 -0.776 1.00 0.00 C ATOM 1325 CD1 ILE A 83 0.471 4.184 2.373 1.00 0.00 C ATOM 0 H ILE A 83 2.121 5.125 -2.775 1.00 0.00 H new ATOM 0 HA ILE A 83 3.254 4.356 -0.195 1.00 0.00 H new ATOM 0 HB ILE A 83 0.807 5.219 0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.350 2.531 1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.465 3.845 1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.851 3.421 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.184 3.933 -1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.366 2.415 -0.972 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.695 3.756 3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.580 5.268 2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.552 3.933 2.093 1.00 0.00 H new ATOM 1337 N LEU A 84 3.764 2.274 -1.308 1.00 0.00 N ATOM 1338 CA LEU A 84 4.135 1.032 -1.964 1.00 0.00 C ATOM 1339 C LEU A 84 4.325 -0.060 -0.910 1.00 0.00 C ATOM 1340 O LEU A 84 5.160 0.073 -0.015 1.00 0.00 O ATOM 1341 CB LEU A 84 5.358 1.242 -2.859 1.00 0.00 C ATOM 1342 CG LEU A 84 6.718 1.187 -2.160 1.00 0.00 C ATOM 1343 CD1 LEU A 84 7.247 -0.247 -2.103 1.00 0.00 C ATOM 1344 CD2 LEU A 84 7.714 2.140 -2.823 1.00 0.00 C ATOM 0 H LEU A 84 4.390 2.562 -0.556 1.00 0.00 H new ATOM 0 HA LEU A 84 3.337 0.700 -2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.344 0.485 -3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.263 2.211 -3.349 1.00 0.00 H new ATOM 0 HG LEU A 84 6.588 1.523 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.215 -0.258 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.545 -0.872 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.359 -0.634 -3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.672 2.081 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.847 1.859 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.334 3.160 -2.767 1.00 0.00 H new ATOM 1356 N LEU A 85 3.537 -1.116 -1.048 1.00 0.00 N ATOM 1357 CA LEU A 85 3.608 -2.231 -0.120 1.00 0.00 C ATOM 1358 C LEU A 85 4.015 -3.495 -0.878 1.00 0.00 C ATOM 1359 O LEU A 85 3.724 -3.633 -2.065 1.00 0.00 O ATOM 1360 CB LEU A 85 2.294 -2.371 0.651 1.00 0.00 C ATOM 1361 CG LEU A 85 2.199 -3.563 1.606 1.00 0.00 C ATOM 1362 CD1 LEU A 85 1.883 -3.102 3.029 1.00 0.00 C ATOM 1363 CD2 LEU A 85 1.186 -4.593 1.098 1.00 0.00 C ATOM 0 H LEU A 85 2.845 -1.223 -1.790 1.00 0.00 H new ATOM 0 HA LEU A 85 4.375 -2.051 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.133 -1.458 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.479 -2.442 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 85 3.171 -4.055 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.821 -3.969 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.672 -2.436 3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.931 -2.572 3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.138 -5.430 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.203 -4.129 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.495 -4.955 0.117 1.00 0.00 H new ATOM 1375 N PHE A 86 4.680 -4.389 -0.160 1.00 0.00 N ATOM 1376 CA PHE A 86 5.130 -5.638 -0.749 1.00 0.00 C ATOM 1377 C PHE A 86 5.395 -6.690 0.329 1.00 0.00 C ATOM 1378 O PHE A 86 5.805 -6.356 1.440 1.00 0.00 O ATOM 1379 CB PHE A 86 6.437 -5.341 -1.487 1.00 0.00 C ATOM 1380 CG PHE A 86 7.546 -4.788 -0.588 1.00 0.00 C ATOM 1381 CD1 PHE A 86 7.541 -3.475 -0.234 1.00 0.00 C ATOM 1382 CD2 PHE A 86 8.536 -5.608 -0.146 1.00 0.00 C ATOM 1383 CE1 PHE A 86 8.569 -2.961 0.601 1.00 0.00 C ATOM 1384 CE2 PHE A 86 9.564 -5.095 0.687 1.00 0.00 C ATOM 1385 CZ PHE A 86 9.559 -3.783 1.043 1.00 0.00 C ATOM 0 H PHE A 86 4.918 -4.272 0.825 1.00 0.00 H new ATOM 0 HA PHE A 86 4.364 -6.029 -1.419 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.790 -6.256 -1.962 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.238 -4.625 -2.284 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.756 -2.823 -0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.540 -6.650 -0.429 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.565 -1.919 0.885 1.00 0.00 H new ATOM 0 HE2 PHE A 86 10.350 -5.747 1.038 1.00 0.00 H new ATOM 0 HZ PHE A 86 10.341 -3.393 1.677 1.00 0.00 H new ATOM 1395 N LYS A 87 5.150 -7.940 -0.036 1.00 0.00 N ATOM 1396 CA LYS A 87 5.357 -9.043 0.887 1.00 0.00 C ATOM 1397 C LYS A 87 6.705 -9.703 0.592 1.00 0.00 C ATOM 1398 O LYS A 87 6.833 -10.460 -0.369 1.00 0.00 O ATOM 1399 CB LYS A 87 4.175 -10.013 0.838 1.00 0.00 C ATOM 1400 CG LYS A 87 4.584 -11.403 1.326 1.00 0.00 C ATOM 1401 CD LYS A 87 4.700 -11.436 2.851 1.00 0.00 C ATOM 1402 CE LYS A 87 6.148 -11.674 3.286 1.00 0.00 C ATOM 1403 NZ LYS A 87 6.667 -12.929 2.696 1.00 0.00 N ATOM 0 H LYS A 87 4.810 -8.213 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 87 5.397 -8.677 1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.362 -9.632 1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.797 -10.079 -0.182 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.850 -12.138 0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.538 -11.683 0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.342 -10.494 3.267 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.062 -12.224 3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.770 -10.835 2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.203 -11.726 4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.130 -13.495 3.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 5.880 -13.472 2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.357 -12.703 1.951 1.00 0.00 H new ATOM 1415 N SER A 88 7.678 -9.392 1.437 1.00 0.00 N ATOM 1416 CA SER A 88 9.011 -9.945 1.279 1.00 0.00 C ATOM 1417 C SER A 88 9.280 -10.984 2.369 1.00 0.00 C ATOM 1418 O SER A 88 9.470 -12.163 2.075 1.00 0.00 O ATOM 1419 CB SER A 88 10.073 -8.843 1.322 1.00 0.00 C ATOM 1420 OG SER A 88 11.394 -9.370 1.214 1.00 0.00 O ATOM 0 H SER A 88 7.569 -8.764 2.233 1.00 0.00 H new ATOM 0 HA SER A 88 9.067 -10.429 0.304 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.897 -8.138 0.510 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.980 -8.286 2.254 1.00 0.00 H new ATOM 0 HG SER A 88 12.043 -8.636 1.244 1.00 0.00 H new ATOM 1426 N GLY A 89 9.287 -10.508 3.606 1.00 0.00 N ATOM 1427 CA GLY A 89 9.528 -11.382 4.742 1.00 0.00 C ATOM 1428 C GLY A 89 10.969 -11.898 4.740 1.00 0.00 C ATOM 1429 O GLY A 89 11.200 -13.104 4.814 1.00 0.00 O ATOM 0 H GLY A 89 9.130 -9.529 3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.332 -10.842 5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.836 -12.224 4.711 1.00 0.00 H new TER 1433 GLY A 89