USER MOD reduce.3.24.130724 H: found=0, std=0, add=1077, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1061 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 9 MET CE :methyl 167:sc= 0 (180deg=-0.35) USER MOD Set 1.2: A 131 MET CE :methyl -127:sc= -0.472 (180deg=-0.879) USER MOD Set 2.1: A 105 HIS : no HE2:sc= 1.13 K(o=0.71,f=-10!) USER MOD Set 2.2: A 125 MET CE :methyl 174:sc= -0.419 (180deg=-0.447) USER MOD Set 3.1: A 82 HIS : no HE2:sc= 0.667 K(o=0.65,f=-3.6!) USER MOD Set 3.2: A 88 SER OG : rot 180:sc= -0.0144 USER MOD Set 4.1: A 73 CYS SG : rot 42:sc= 0.108 USER MOD Set 4.2: A 75 THR OG1 : rot -162:sc= 1.39 USER MOD Set 4.3: A 80 HIS : no HE2:sc= 1.33 K(o=5.4,f=-2.6!) USER MOD Set 4.4: A 91 HIS : no HD1:sc= 0.525 K(o=5.4,f=-7.3!) USER MOD Set 4.5: A 116 THR OG1 : rot -38:sc= 2.05 USER MOD Set 5.1: A 46 HIS : no HD1:sc= -0.431 K(o=1.4,f=-3.4) USER MOD Set 5.2: A 100 GLN : amide:sc= 1.79 K(o=1.4,f=-3.4!) USER MOD Single : A 1 MET CE :methyl -166:sc= 0 (180deg=-0.0668) USER MOD Single : A 1 MET N :NH3+ -120:sc=-0.00503 (180deg=-0.224) USER MOD Single : A 3 LYS NZ :NH3+ 175:sc= 0.935 (180deg=0.915) USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= 0.928 (180deg=0.906) USER MOD Single : A 6 TYR OH : rot 165:sc= -0.146 USER MOD Single : A 11 ASN : amide:sc= -0.0937 K(o=-0.094,f=-9.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0336 K(o=-0.034,f=-1.5!) USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00712 USER MOD Single : A 30 ASN : amide:sc= -0.201 K(o=-0.2,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 0.999 (180deg=0.919) USER MOD Single : A 36 ASN : amide:sc= 1.61 K(o=1.6,f=-5.6!) USER MOD Single : A 40 TYR OH : rot 6:sc= 0.884 USER MOD Single : A 41 ASN : amide:sc= -1.41! C(o=-1.4!,f=-7.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 170:sc= 0.441 USER MOD Single : A 55 GLN : amide:sc= 1.21 K(o=1.2,f=-6.7!) USER MOD Single : A 58 CYS SG : rot -179:sc= 0.381 USER MOD Single : A 62 ASN : amide:sc=-0.00761 K(o=-0.0076,f=-1.1) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0568 USER MOD Single : A 70 THR OG1 : rot 89:sc= 0.984 USER MOD Single : A 77 ASN : amide:sc= 0.832 K(o=0.83,f=-1.5!) USER MOD Single : A 78 ASN : amide:sc= 0.269 K(o=0.27,f=-3.5!) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 87 MET CE :methyl -126:sc= -0.705 (180deg=-1.96!) USER MOD Single : A 89 MET CE :methyl 164:sc= -0.0364 (180deg=-0.365) USER MOD Single : A 96 THR OG1 : rot -57:sc= 1.1 USER MOD Single : A 98 SER OG : rot 180:sc= 0.368 USER MOD Single : A 99 CYS SG : rot 170:sc= -0.999 USER MOD Single : A 108 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.21) USER MOD Single : A 110 HIS : no HD1:sc= -0.05 X(o=-0.05,f=-0.05) USER MOD Single : A 115 HIS : no HD1:sc= -0.58 K(o=-0.58,f=-5.3!) USER MOD Single : A 120 GLN : amide:sc= 0.797 K(o=0.8,f=-1.1) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot -92:sc= 0.827 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.864 K(o=-0.86,f=-5.5!) USER MOD Single : A 137 MET CE :methyl 177:sc= 0 (180deg=-0.00705) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.382 1.946 -16.426 1.00 0.00 N ATOM 2 CA MET A 1 -4.537 0.900 -15.861 1.00 0.00 C ATOM 3 C MET A 1 -4.476 1.000 -14.343 1.00 0.00 C ATOM 4 O MET A 1 -4.408 2.095 -13.785 1.00 0.00 O ATOM 5 CB MET A 1 -3.133 0.977 -16.458 1.00 0.00 C ATOM 6 CG MET A 1 -3.062 0.659 -17.944 1.00 0.00 C ATOM 7 SD MET A 1 -1.416 0.925 -18.633 1.00 0.00 S ATOM 8 CE MET A 1 -1.728 0.642 -20.373 1.00 0.00 C ATOM 0 H1 MET A 1 -6.168 1.512 -16.950 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.762 2.537 -15.659 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.819 2.536 -17.072 1.00 0.00 H new ATOM 0 HA MET A 1 -4.977 -0.065 -16.114 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.737 1.979 -16.294 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.484 0.286 -15.920 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.355 -0.378 -18.104 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.781 1.280 -18.479 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.780 0.523 -20.898 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.325 -0.262 -20.493 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.269 1.492 -20.789 1.00 0.00 H new ATOM 18 N ALA A 2 -4.502 -0.150 -13.677 1.00 0.00 N ATOM 19 CA ALA A 2 -4.472 -0.193 -12.220 1.00 0.00 C ATOM 20 C ALA A 2 -3.109 0.226 -11.685 1.00 0.00 C ATOM 21 O ALA A 2 -2.078 -0.060 -12.293 1.00 0.00 O ATOM 22 CB ALA A 2 -4.830 -1.585 -11.724 1.00 0.00 C ATOM 0 H ALA A 2 -4.544 -1.066 -14.124 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.212 0.515 -11.847 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.803 -1.601 -10.634 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.831 -1.847 -12.066 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.113 -2.306 -12.115 1.00 0.00 H new ATOM 28 N LYS A 3 -3.110 0.905 -10.543 1.00 0.00 N ATOM 29 CA LYS A 3 -1.870 1.319 -9.896 1.00 0.00 C ATOM 30 C LYS A 3 -1.419 0.294 -8.863 1.00 0.00 C ATOM 31 O LYS A 3 -2.242 -0.323 -8.187 1.00 0.00 O ATOM 32 CB LYS A 3 -2.041 2.689 -9.238 1.00 0.00 C ATOM 33 CG LYS A 3 -2.223 3.840 -10.220 1.00 0.00 C ATOM 34 CD LYS A 3 -2.350 5.170 -9.493 1.00 0.00 C ATOM 35 CE LYS A 3 -2.450 6.329 -10.473 1.00 0.00 C ATOM 36 NZ LYS A 3 -2.498 7.645 -9.779 1.00 0.00 N ATOM 0 H LYS A 3 -3.957 1.181 -10.046 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.100 1.389 -10.664 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.904 2.654 -8.574 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.169 2.892 -8.617 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.374 3.876 -10.903 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.113 3.667 -10.826 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.233 5.154 -8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.488 5.315 -8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.595 6.307 -11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.344 6.210 -11.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.480 8.410 -10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.372 7.710 -9.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.675 7.736 -9.149 1.00 0.00 H new ATOM 50 N LYS A 4 -0.107 0.118 -8.745 1.00 0.00 N ATOM 51 CA LYS A 4 0.457 -0.796 -7.761 1.00 0.00 C ATOM 52 C LYS A 4 1.644 -0.168 -7.041 1.00 0.00 C ATOM 53 O LYS A 4 2.192 0.839 -7.490 1.00 0.00 O ATOM 54 CB LYS A 4 0.880 -2.107 -8.428 1.00 0.00 C ATOM 55 CG LYS A 4 -0.259 -2.871 -9.090 1.00 0.00 C ATOM 56 CD LYS A 4 0.236 -4.167 -9.715 1.00 0.00 C ATOM 57 CE LYS A 4 -0.897 -4.925 -10.391 1.00 0.00 C ATOM 58 NZ LYS A 4 -0.460 -6.261 -10.879 1.00 0.00 N ATOM 0 H LYS A 4 0.586 0.598 -9.320 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.316 -1.008 -7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.640 -1.890 -9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.345 -2.748 -7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.030 -3.092 -8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.721 -2.248 -9.856 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.015 -3.947 -10.445 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.688 -4.794 -8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.721 -5.047 -9.688 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.276 -4.339 -11.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.280 -6.778 -11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.249 -6.141 -11.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.044 -6.799 -10.092 1.00 0.00 H new ATOM 72 N GLY A 5 2.038 -0.768 -5.924 1.00 0.00 N ATOM 73 CA GLY A 5 3.180 -0.286 -5.155 1.00 0.00 C ATOM 74 C GLY A 5 4.115 -1.428 -4.782 1.00 0.00 C ATOM 75 O GLY A 5 3.720 -2.595 -4.792 1.00 0.00 O ATOM 0 H GLY A 5 1.583 -1.591 -5.530 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.725 0.458 -5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.829 0.210 -4.250 1.00 0.00 H new ATOM 79 N TYR A 6 5.356 -1.087 -4.451 1.00 0.00 N ATOM 80 CA TYR A 6 6.368 -2.088 -4.138 1.00 0.00 C ATOM 81 C TYR A 6 7.282 -1.614 -3.016 1.00 0.00 C ATOM 82 O TYR A 6 7.801 -0.499 -3.055 1.00 0.00 O ATOM 83 CB TYR A 6 7.190 -2.426 -5.385 1.00 0.00 C ATOM 84 CG TYR A 6 8.328 -3.387 -5.124 1.00 0.00 C ATOM 85 CD1 TYR A 6 8.061 -4.723 -4.858 1.00 0.00 C ATOM 86 CD2 TYR A 6 9.638 -2.933 -5.149 1.00 0.00 C ATOM 87 CE1 TYR A 6 9.101 -5.600 -4.619 1.00 0.00 C ATOM 88 CE2 TYR A 6 10.678 -3.812 -4.909 1.00 0.00 C ATOM 89 CZ TYR A 6 10.412 -5.140 -4.646 1.00 0.00 C ATOM 90 OH TYR A 6 11.448 -6.014 -4.408 1.00 0.00 O ATOM 0 H TYR A 6 5.685 -0.123 -4.393 1.00 0.00 H new ATOM 0 HA TYR A 6 5.855 -2.988 -3.799 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.530 -2.855 -6.139 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.594 -1.504 -5.803 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.041 -5.076 -4.838 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.846 -1.894 -5.356 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.896 -6.640 -4.412 1.00 0.00 H new ATOM 0 HE2 TYR A 6 11.699 -3.459 -4.927 1.00 0.00 H new ATOM 0 HH TYR A 6 12.292 -5.606 -4.693 1.00 0.00 H new ATOM 100 N ILE A 7 7.476 -2.469 -2.017 1.00 0.00 N ATOM 101 CA ILE A 7 8.405 -2.181 -0.931 1.00 0.00 C ATOM 102 C ILE A 7 9.541 -3.194 -0.896 1.00 0.00 C ATOM 103 O ILE A 7 9.332 -4.365 -0.578 1.00 0.00 O ATOM 104 CB ILE A 7 7.679 -2.175 0.426 1.00 0.00 C ATOM 105 CG1 ILE A 7 6.640 -1.051 0.471 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.678 -2.026 1.563 1.00 0.00 C ATOM 107 CD1 ILE A 7 5.712 -1.126 1.663 1.00 0.00 C ATOM 0 H ILE A 7 7.001 -3.368 -1.937 1.00 0.00 H new ATOM 0 HA ILE A 7 8.823 -1.191 -1.115 1.00 0.00 H new ATOM 0 HB ILE A 7 7.162 -3.127 0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.157 -0.091 0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.046 -1.081 -0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.148 -2.024 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.381 -2.859 1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.222 -1.089 1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.005 -0.298 1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.167 -2.070 1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.295 -1.065 2.582 1.00 0.00 H new ATOM 119 N LEU A 8 10.745 -2.738 -1.225 1.00 0.00 N ATOM 120 CA LEU A 8 11.951 -3.526 -1.000 1.00 0.00 C ATOM 121 C LEU A 8 12.550 -3.237 0.370 1.00 0.00 C ATOM 122 O LEU A 8 12.749 -2.080 0.740 1.00 0.00 O ATOM 123 CB LEU A 8 12.989 -3.230 -2.090 1.00 0.00 C ATOM 124 CG LEU A 8 14.350 -3.917 -1.919 1.00 0.00 C ATOM 125 CD1 LEU A 8 14.182 -5.422 -2.079 1.00 0.00 C ATOM 126 CD2 LEU A 8 15.330 -3.364 -2.941 1.00 0.00 C ATOM 0 H LEU A 8 10.912 -1.825 -1.649 1.00 0.00 H new ATOM 0 HA LEU A 8 11.674 -4.579 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.572 -3.526 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.149 -2.153 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 8 14.745 -3.719 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.149 -5.911 -1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.490 -5.793 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.787 -5.641 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.297 -3.852 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.952 -3.552 -3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.444 -2.290 -2.792 1.00 0.00 H new ATOM 138 N MET A 9 12.837 -4.296 1.120 1.00 0.00 N ATOM 139 CA MET A 9 13.417 -4.157 2.451 1.00 0.00 C ATOM 140 C MET A 9 14.917 -4.422 2.428 1.00 0.00 C ATOM 141 O MET A 9 15.418 -5.136 1.558 1.00 0.00 O ATOM 142 CB MET A 9 12.724 -5.104 3.429 1.00 0.00 C ATOM 143 CG MET A 9 11.267 -4.761 3.712 1.00 0.00 C ATOM 144 SD MET A 9 10.427 -6.036 4.672 1.00 0.00 S ATOM 145 CE MET A 9 9.075 -5.097 5.372 1.00 0.00 C ATOM 0 H MET A 9 12.677 -5.260 0.829 1.00 0.00 H new ATOM 0 HA MET A 9 13.263 -3.130 2.783 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.775 -6.118 3.032 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.274 -5.102 4.370 1.00 0.00 H new ATOM 0 HG2 MET A 9 11.219 -3.815 4.251 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.742 -4.617 2.768 1.00 0.00 H new ATOM 0 HE1 MET A 9 8.340 -5.780 5.798 1.00 0.00 H new ATOM 0 HE2 MET A 9 9.455 -4.439 6.153 1.00 0.00 H new ATOM 0 HE3 MET A 9 8.605 -4.499 4.591 1.00 0.00 H new ATOM 155 N GLU A 10 15.630 -3.843 3.387 1.00 0.00 N ATOM 156 CA GLU A 10 17.071 -4.037 3.495 1.00 0.00 C ATOM 157 C GLU A 10 17.415 -5.508 3.692 1.00 0.00 C ATOM 158 O GLU A 10 18.496 -5.958 3.309 1.00 0.00 O ATOM 159 CB GLU A 10 17.635 -3.211 4.653 1.00 0.00 C ATOM 160 CG GLU A 10 17.731 -1.718 4.373 1.00 0.00 C ATOM 161 CD GLU A 10 18.820 -1.375 3.395 1.00 0.00 C ATOM 162 OE1 GLU A 10 19.570 -2.251 3.039 1.00 0.00 O ATOM 163 OE2 GLU A 10 18.902 -0.234 3.004 1.00 0.00 O ATOM 0 H GLU A 10 15.233 -3.234 4.102 1.00 0.00 H new ATOM 0 HA GLU A 10 17.524 -3.701 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.008 -3.364 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.628 -3.586 4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.776 -1.364 3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.910 -1.189 5.309 1.00 0.00 H new ATOM 170 N ASN A 11 16.492 -6.251 4.289 1.00 0.00 N ATOM 171 CA ASN A 11 16.723 -7.656 4.602 1.00 0.00 C ATOM 172 C ASN A 11 16.386 -8.548 3.414 1.00 0.00 C ATOM 173 O ASN A 11 16.429 -9.774 3.512 1.00 0.00 O ATOM 174 CB ASN A 11 15.926 -8.071 5.824 1.00 0.00 C ATOM 175 CG ASN A 11 14.442 -8.036 5.585 1.00 0.00 C ATOM 176 OD1 ASN A 11 13.986 -7.726 4.479 1.00 0.00 O ATOM 177 ND2 ASN A 11 13.680 -8.349 6.601 1.00 0.00 N ATOM 0 H ASN A 11 15.574 -5.903 4.567 1.00 0.00 H new ATOM 0 HA ASN A 11 17.783 -7.779 4.823 1.00 0.00 H new ATOM 0 HB2 ASN A 11 16.219 -9.078 6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 11 16.172 -7.411 6.655 1.00 0.00 H new ATOM 0 HD21 ASN A 11 12.665 -8.343 6.498 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.101 -8.599 7.496 1.00 0.00 H new ATOM 184 N GLY A 12 16.048 -7.924 2.290 1.00 0.00 N ATOM 185 CA GLY A 12 15.816 -8.654 1.049 1.00 0.00 C ATOM 186 C GLY A 12 14.332 -8.931 0.842 1.00 0.00 C ATOM 187 O GLY A 12 13.936 -9.525 -0.161 1.00 0.00 O ATOM 0 H GLY A 12 15.929 -6.914 2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.202 -8.078 0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 12 16.365 -9.595 1.070 1.00 0.00 H new ATOM 191 N GLY A 13 13.516 -8.498 1.796 1.00 0.00 N ATOM 192 CA GLY A 13 12.073 -8.684 1.712 1.00 0.00 C ATOM 193 C GLY A 13 11.491 -7.949 0.512 1.00 0.00 C ATOM 194 O GLY A 13 11.877 -6.818 0.218 1.00 0.00 O ATOM 0 H GLY A 13 13.830 -8.015 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.845 -9.747 1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.603 -8.322 2.626 1.00 0.00 H new ATOM 198 N LYS A 14 10.560 -8.597 -0.179 1.00 0.00 N ATOM 199 CA LYS A 14 9.955 -8.026 -1.376 1.00 0.00 C ATOM 200 C LYS A 14 8.435 -8.047 -1.290 1.00 0.00 C ATOM 201 O LYS A 14 7.801 -9.057 -1.594 1.00 0.00 O ATOM 202 CB LYS A 14 10.422 -8.777 -2.624 1.00 0.00 C ATOM 203 CG LYS A 14 11.923 -8.708 -2.875 1.00 0.00 C ATOM 204 CD LYS A 14 12.280 -9.273 -4.242 1.00 0.00 C ATOM 205 CE LYS A 14 13.778 -9.191 -4.501 1.00 0.00 C ATOM 206 NZ LYS A 14 14.171 -9.929 -5.732 1.00 0.00 N ATOM 0 H LYS A 14 10.207 -9.521 0.070 1.00 0.00 H new ATOM 0 HA LYS A 14 10.277 -6.987 -1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.129 -9.823 -2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.902 -8.373 -3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.258 -7.673 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.450 -9.265 -2.100 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.954 -10.311 -4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.744 -8.723 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.073 -8.146 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.317 -9.599 -3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.198 -9.848 -5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.913 -10.932 -5.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.677 -9.524 -6.552 1.00 0.00 H new ATOM 220 N ILE A 15 7.855 -6.927 -0.872 1.00 0.00 N ATOM 221 CA ILE A 15 6.409 -6.824 -0.721 1.00 0.00 C ATOM 222 C ILE A 15 5.781 -6.099 -1.904 1.00 0.00 C ATOM 223 O ILE A 15 6.162 -4.975 -2.229 1.00 0.00 O ATOM 224 CB ILE A 15 6.044 -6.090 0.583 1.00 0.00 C ATOM 225 CG1 ILE A 15 6.565 -6.867 1.796 1.00 0.00 C ATOM 226 CG2 ILE A 15 4.539 -5.893 0.679 1.00 0.00 C ATOM 227 CD1 ILE A 15 6.435 -6.117 3.102 1.00 0.00 C ATOM 0 H ILE A 15 8.365 -6.077 -0.632 1.00 0.00 H new ATOM 0 HA ILE A 15 6.014 -7.839 -0.682 1.00 0.00 H new ATOM 0 HB ILE A 15 6.518 -5.108 0.573 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.022 -7.809 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.614 -7.116 1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.299 -5.373 1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.195 -5.301 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.044 -6.864 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.825 -6.731 3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.001 -5.187 3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.385 -5.891 3.289 1.00 0.00 H new ATOM 239 N GLU A 16 4.816 -6.750 -2.546 1.00 0.00 N ATOM 240 CA GLU A 16 4.103 -6.152 -3.668 1.00 0.00 C ATOM 241 C GLU A 16 2.606 -6.083 -3.397 1.00 0.00 C ATOM 242 O GLU A 16 2.001 -7.058 -2.952 1.00 0.00 O ATOM 243 CB GLU A 16 4.363 -6.946 -4.950 1.00 0.00 C ATOM 244 CG GLU A 16 3.802 -6.306 -6.211 1.00 0.00 C ATOM 245 CD GLU A 16 4.106 -7.097 -7.453 1.00 0.00 C ATOM 246 OE1 GLU A 16 3.675 -8.222 -7.538 1.00 0.00 O ATOM 247 OE2 GLU A 16 4.768 -6.575 -8.318 1.00 0.00 O ATOM 0 H GLU A 16 4.510 -7.693 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 16 4.476 -5.135 -3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.439 -7.076 -5.071 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.932 -7.941 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.722 -6.200 -6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.212 -5.302 -6.316 1.00 0.00 H new ATOM 254 N PHE A 17 2.013 -4.924 -3.667 1.00 0.00 N ATOM 255 CA PHE A 17 0.616 -4.683 -3.331 1.00 0.00 C ATOM 256 C PHE A 17 -0.065 -3.822 -4.388 1.00 0.00 C ATOM 257 O PHE A 17 0.598 -3.102 -5.136 1.00 0.00 O ATOM 258 CB PHE A 17 0.504 -4.004 -1.964 1.00 0.00 C ATOM 259 CG PHE A 17 1.278 -2.720 -1.861 1.00 0.00 C ATOM 260 CD1 PHE A 17 2.625 -2.730 -1.536 1.00 0.00 C ATOM 261 CD2 PHE A 17 0.659 -1.500 -2.090 1.00 0.00 C ATOM 262 CE1 PHE A 17 3.339 -1.551 -1.439 1.00 0.00 C ATOM 263 CE2 PHE A 17 1.371 -0.319 -1.995 1.00 0.00 C ATOM 264 CZ PHE A 17 2.710 -0.344 -1.669 1.00 0.00 C ATOM 0 H PHE A 17 2.480 -4.137 -4.118 1.00 0.00 H new ATOM 0 HA PHE A 17 0.113 -5.649 -3.295 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.546 -3.802 -1.753 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.857 -4.693 -1.196 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.123 -3.671 -1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.390 -1.473 -2.345 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.388 -1.574 -1.184 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.878 0.624 -2.176 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.266 0.579 -1.594 1.00 0.00 H new ATOM 274 N GLU A 18 -1.389 -3.901 -4.445 1.00 0.00 N ATOM 275 CA GLU A 18 -2.163 -3.114 -5.399 1.00 0.00 C ATOM 276 C GLU A 18 -2.766 -1.882 -4.735 1.00 0.00 C ATOM 277 O GLU A 18 -2.971 -1.857 -3.521 1.00 0.00 O ATOM 278 CB GLU A 18 -3.273 -3.966 -6.019 1.00 0.00 C ATOM 279 CG GLU A 18 -2.775 -5.146 -6.840 1.00 0.00 C ATOM 280 CD GLU A 18 -3.890 -5.937 -7.465 1.00 0.00 C ATOM 281 OE1 GLU A 18 -5.029 -5.607 -7.234 1.00 0.00 O ATOM 282 OE2 GLU A 18 -3.604 -6.872 -8.175 1.00 0.00 O ATOM 0 H GLU A 18 -1.950 -4.502 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.485 -2.783 -6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.916 -4.339 -5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.890 -3.331 -6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.111 -4.782 -7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.184 -5.803 -6.201 1.00 0.00 H new ATOM 289 N LEU A 19 -3.048 -0.861 -5.537 1.00 0.00 N ATOM 290 CA LEU A 19 -3.705 0.342 -5.044 1.00 0.00 C ATOM 291 C LEU A 19 -5.101 0.489 -5.634 1.00 0.00 C ATOM 292 O LEU A 19 -5.347 0.101 -6.776 1.00 0.00 O ATOM 293 CB LEU A 19 -2.866 1.580 -5.384 1.00 0.00 C ATOM 294 CG LEU A 19 -1.467 1.630 -4.755 1.00 0.00 C ATOM 295 CD1 LEU A 19 -0.683 2.792 -5.350 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.594 1.772 -3.245 1.00 0.00 C ATOM 0 H LEU A 19 -2.831 -0.844 -6.533 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.798 0.253 -3.962 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.759 1.637 -6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.417 2.467 -5.071 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.929 0.707 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.311 2.827 -4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.592 2.655 -6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.206 3.726 -5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.600 1.808 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.131 2.691 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.142 0.919 -2.844 1.00 0.00 H new ATOM 308 N PHE A 20 -6.013 1.054 -4.849 1.00 0.00 N ATOM 309 CA PHE A 20 -7.415 1.139 -5.242 1.00 0.00 C ATOM 310 C PHE A 20 -7.948 2.556 -5.078 1.00 0.00 C ATOM 311 O PHE A 20 -8.565 2.884 -4.064 1.00 0.00 O ATOM 312 CB PHE A 20 -8.262 0.171 -4.413 1.00 0.00 C ATOM 313 CG PHE A 20 -7.827 -1.263 -4.526 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.201 -2.032 -5.616 1.00 0.00 C ATOM 315 CD2 PHE A 20 -7.043 -1.844 -3.540 1.00 0.00 C ATOM 316 CE1 PHE A 20 -7.803 -3.351 -5.721 1.00 0.00 C ATOM 317 CE2 PHE A 20 -6.642 -3.163 -3.643 1.00 0.00 C ATOM 318 CZ PHE A 20 -7.023 -3.917 -4.733 1.00 0.00 C ATOM 0 H PHE A 20 -5.806 1.460 -3.936 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.481 0.864 -6.295 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.222 0.472 -3.366 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.302 0.252 -4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.811 -1.595 -6.393 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.743 -1.260 -2.683 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.102 -3.939 -6.576 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.030 -3.603 -2.870 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.712 -4.948 -4.813 1.00 0.00 H new ATOM 328 N PRO A 21 -7.708 3.393 -6.081 1.00 0.00 N ATOM 329 CA PRO A 21 -8.242 4.750 -6.092 1.00 0.00 C ATOM 330 C PRO A 21 -9.752 4.749 -5.886 1.00 0.00 C ATOM 331 O PRO A 21 -10.312 5.692 -5.328 1.00 0.00 O ATOM 332 CB PRO A 21 -7.863 5.259 -7.486 1.00 0.00 C ATOM 333 CG PRO A 21 -6.646 4.475 -7.842 1.00 0.00 C ATOM 334 CD PRO A 21 -6.909 3.102 -7.284 1.00 0.00 C ATOM 0 HA PRO A 21 -7.848 5.375 -5.291 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.667 5.094 -8.203 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.659 6.330 -7.477 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.495 4.443 -8.921 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.748 4.915 -7.408 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.453 2.475 -7.990 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.984 2.579 -7.040 1.00 0.00 H new ATOM 342 N ASN A 22 -10.404 3.685 -6.340 1.00 0.00 N ATOM 343 CA ASN A 22 -11.849 3.549 -6.186 1.00 0.00 C ATOM 344 C ASN A 22 -12.246 3.527 -4.716 1.00 0.00 C ATOM 345 O ASN A 22 -13.323 3.996 -4.347 1.00 0.00 O ATOM 346 CB ASN A 22 -12.345 2.300 -6.892 1.00 0.00 C ATOM 347 CG ASN A 22 -12.336 2.441 -8.389 1.00 0.00 C ATOM 348 OD1 ASN A 22 -12.328 3.557 -8.920 1.00 0.00 O ATOM 349 ND2 ASN A 22 -12.338 1.330 -9.079 1.00 0.00 N ATOM 0 H ASN A 22 -9.956 2.903 -6.818 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.319 4.418 -6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.721 1.453 -6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.358 2.076 -6.558 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.333 1.363 -10.098 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.345 0.431 -8.598 1.00 0.00 H new ATOM 356 N GLU A 23 -11.370 2.980 -3.879 1.00 0.00 N ATOM 357 CA GLU A 23 -11.632 2.890 -2.448 1.00 0.00 C ATOM 358 C GLU A 23 -11.208 4.165 -1.728 1.00 0.00 C ATOM 359 O GLU A 23 -11.900 4.639 -0.827 1.00 0.00 O ATOM 360 CB GLU A 23 -10.902 1.687 -1.847 1.00 0.00 C ATOM 361 CG GLU A 23 -11.402 0.337 -2.343 1.00 0.00 C ATOM 362 CD GLU A 23 -10.631 -0.819 -1.768 1.00 0.00 C ATOM 363 OE1 GLU A 23 -9.706 -0.582 -1.028 1.00 0.00 O ATOM 364 OE2 GLU A 23 -10.968 -1.940 -2.068 1.00 0.00 O ATOM 0 H GLU A 23 -10.472 2.592 -4.168 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.706 2.761 -2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.839 1.772 -2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.002 1.722 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.456 0.228 -2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.335 0.307 -3.431 1.00 0.00 H new ATOM 371 N ALA A 24 -10.068 4.714 -2.132 1.00 0.00 N ATOM 372 CA ALA A 24 -9.564 5.951 -1.547 1.00 0.00 C ATOM 373 C ALA A 24 -8.769 6.758 -2.564 1.00 0.00 C ATOM 374 O ALA A 24 -7.550 6.622 -2.663 1.00 0.00 O ATOM 375 CB ALA A 24 -8.708 5.648 -0.326 1.00 0.00 C ATOM 0 H ALA A 24 -9.475 4.322 -2.863 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.420 6.550 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.339 6.581 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.307 5.122 0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.864 5.024 -0.619 1.00 0.00 H new ATOM 381 N PRO A 25 -9.466 7.600 -3.319 1.00 0.00 N ATOM 382 CA PRO A 25 -8.835 8.385 -4.374 1.00 0.00 C ATOM 383 C PRO A 25 -7.671 9.203 -3.831 1.00 0.00 C ATOM 384 O PRO A 25 -6.563 9.153 -4.364 1.00 0.00 O ATOM 385 CB PRO A 25 -9.977 9.283 -4.864 1.00 0.00 C ATOM 386 CG PRO A 25 -11.207 8.479 -4.615 1.00 0.00 C ATOM 387 CD PRO A 25 -10.940 7.783 -3.308 1.00 0.00 C ATOM 0 HA PRO A 25 -8.404 7.775 -5.168 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.002 10.228 -4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.867 9.526 -5.921 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.091 9.114 -4.554 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.383 7.763 -5.418 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.265 8.383 -2.458 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.464 6.829 -3.245 1.00 0.00 H new ATOM 395 N VAL A 26 -7.929 9.955 -2.767 1.00 0.00 N ATOM 396 CA VAL A 26 -6.957 10.913 -2.253 1.00 0.00 C ATOM 397 C VAL A 26 -5.808 10.208 -1.546 1.00 0.00 C ATOM 398 O VAL A 26 -4.645 10.579 -1.708 1.00 0.00 O ATOM 399 CB VAL A 26 -7.636 11.889 -1.273 1.00 0.00 C ATOM 400 CG1 VAL A 26 -6.605 12.808 -0.635 1.00 0.00 C ATOM 401 CG2 VAL A 26 -8.701 12.696 -2.000 1.00 0.00 C ATOM 0 H VAL A 26 -8.804 9.920 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.557 11.466 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.114 11.316 -0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.103 13.490 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.874 12.211 -0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.099 13.382 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.177 13.384 -1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.239 13.262 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.451 12.021 -2.412 1.00 0.00 H new ATOM 411 N THR A 27 -6.139 9.187 -0.763 1.00 0.00 N ATOM 412 CA THR A 27 -5.138 8.448 -0.003 1.00 0.00 C ATOM 413 C THR A 27 -4.115 7.797 -0.925 1.00 0.00 C ATOM 414 O THR A 27 -2.910 7.884 -0.690 1.00 0.00 O ATOM 415 CB THR A 27 -5.796 7.372 0.881 1.00 0.00 C ATOM 416 OG1 THR A 27 -6.751 7.987 1.757 1.00 0.00 O ATOM 417 CG2 THR A 27 -4.746 6.649 1.711 1.00 0.00 C ATOM 0 H THR A 27 -7.094 8.852 -0.638 1.00 0.00 H new ATOM 0 HA THR A 27 -4.625 9.166 0.638 1.00 0.00 H new ATOM 0 HB THR A 27 -6.296 6.650 0.236 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.170 7.301 2.318 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.229 5.892 2.329 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.025 6.170 1.049 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.231 7.366 2.351 1.00 0.00 H new ATOM 425 N VAL A 28 -4.604 7.145 -1.975 1.00 0.00 N ATOM 426 CA VAL A 28 -3.731 6.521 -2.962 1.00 0.00 C ATOM 427 C VAL A 28 -2.832 7.552 -3.633 1.00 0.00 C ATOM 428 O VAL A 28 -1.633 7.329 -3.800 1.00 0.00 O ATOM 429 CB VAL A 28 -4.569 5.799 -4.034 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.689 5.369 -5.197 1.00 0.00 C ATOM 431 CG2 VAL A 28 -5.274 4.599 -3.419 1.00 0.00 C ATOM 0 H VAL A 28 -5.600 7.035 -2.164 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.103 5.799 -2.440 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.322 6.487 -4.417 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.297 4.861 -5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.223 6.247 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.915 4.691 -4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.865 4.093 -4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.533 3.908 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.930 4.935 -2.616 1.00 0.00 H new ATOM 441 N ALA A 29 -3.419 8.680 -4.017 1.00 0.00 N ATOM 442 CA ALA A 29 -2.671 9.749 -4.668 1.00 0.00 C ATOM 443 C ALA A 29 -1.542 10.252 -3.778 1.00 0.00 C ATOM 444 O ALA A 29 -0.411 10.428 -4.232 1.00 0.00 O ATOM 445 CB ALA A 29 -3.601 10.895 -5.040 1.00 0.00 C ATOM 0 H ALA A 29 -4.411 8.878 -3.889 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.228 9.344 -5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.028 11.686 -5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.370 10.533 -5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.072 11.289 -4.139 1.00 0.00 H new ATOM 451 N ASN A 30 -1.854 10.481 -2.506 1.00 0.00 N ATOM 452 CA ASN A 30 -0.880 11.015 -1.563 1.00 0.00 C ATOM 453 C ASN A 30 0.217 10.000 -1.271 1.00 0.00 C ATOM 454 O ASN A 30 1.394 10.351 -1.179 1.00 0.00 O ATOM 455 CB ASN A 30 -1.562 11.447 -0.278 1.00 0.00 C ATOM 456 CG ASN A 30 -2.333 12.728 -0.435 1.00 0.00 C ATOM 457 OD1 ASN A 30 -2.093 13.500 -1.371 1.00 0.00 O ATOM 458 ND2 ASN A 30 -3.257 12.968 0.461 1.00 0.00 N ATOM 0 H ASN A 30 -2.775 10.304 -2.105 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.416 11.889 -2.020 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.238 10.659 0.053 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.812 11.572 0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.814 13.821 0.404 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.420 12.302 1.216 1.00 0.00 H new ATOM 465 N PHE A 31 -0.173 8.737 -1.126 1.00 0.00 N ATOM 466 CA PHE A 31 0.784 7.659 -0.912 1.00 0.00 C ATOM 467 C PHE A 31 1.759 7.549 -2.077 1.00 0.00 C ATOM 468 O PHE A 31 2.970 7.449 -1.879 1.00 0.00 O ATOM 469 CB PHE A 31 0.054 6.327 -0.724 1.00 0.00 C ATOM 470 CG PHE A 31 0.968 5.172 -0.429 1.00 0.00 C ATOM 471 CD1 PHE A 31 1.428 4.945 0.860 1.00 0.00 C ATOM 472 CD2 PHE A 31 1.371 4.311 -1.439 1.00 0.00 C ATOM 473 CE1 PHE A 31 2.268 3.883 1.133 1.00 0.00 C ATOM 474 CE2 PHE A 31 2.210 3.248 -1.169 1.00 0.00 C ATOM 475 CZ PHE A 31 2.660 3.034 0.118 1.00 0.00 C ATOM 0 H PHE A 31 -1.147 8.436 -1.153 1.00 0.00 H new ATOM 0 HA PHE A 31 1.349 7.891 -0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.663 6.428 0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.517 6.106 -1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.126 5.606 1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.024 4.474 -2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.618 3.717 2.141 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.514 2.584 -1.965 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.317 2.204 0.330 1.00 0.00 H new ATOM 485 N GLU A 32 1.225 7.568 -3.293 1.00 0.00 N ATOM 486 CA GLU A 32 2.052 7.576 -4.494 1.00 0.00 C ATOM 487 C GLU A 32 3.015 8.756 -4.492 1.00 0.00 C ATOM 488 O GLU A 32 4.211 8.595 -4.735 1.00 0.00 O ATOM 489 CB GLU A 32 1.175 7.624 -5.747 1.00 0.00 C ATOM 490 CG GLU A 32 1.949 7.699 -7.055 1.00 0.00 C ATOM 491 CD GLU A 32 1.055 7.734 -8.264 1.00 0.00 C ATOM 492 OE1 GLU A 32 -0.140 7.704 -8.095 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.568 7.789 -9.356 1.00 0.00 O ATOM 0 H GLU A 32 0.221 7.578 -3.473 1.00 0.00 H new ATOM 0 HA GLU A 32 2.636 6.656 -4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.540 6.738 -5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.514 8.488 -5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.578 8.589 -7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.615 6.839 -7.127 1.00 0.00 H new ATOM 500 N LYS A 33 2.488 9.943 -4.215 1.00 0.00 N ATOM 501 CA LYS A 33 3.304 11.150 -4.152 1.00 0.00 C ATOM 502 C LYS A 33 4.515 10.949 -3.250 1.00 0.00 C ATOM 503 O LYS A 33 5.651 11.187 -3.659 1.00 0.00 O ATOM 504 CB LYS A 33 2.472 12.335 -3.660 1.00 0.00 C ATOM 505 CG LYS A 33 3.263 13.624 -3.474 1.00 0.00 C ATOM 506 CD LYS A 33 2.357 14.771 -3.053 1.00 0.00 C ATOM 507 CE LYS A 33 3.157 15.915 -2.446 1.00 0.00 C ATOM 508 NZ LYS A 33 4.048 16.562 -3.446 1.00 0.00 N ATOM 0 H LYS A 33 1.497 10.096 -4.030 1.00 0.00 H new ATOM 0 HA LYS A 33 3.661 11.364 -5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.665 12.517 -4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.007 12.068 -2.711 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.037 13.473 -2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.769 13.880 -4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.800 15.133 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.625 14.412 -2.329 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.473 16.658 -2.035 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.756 15.539 -1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.432 17.444 -3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.830 15.919 -3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.505 16.777 -4.307 1.00 0.00 H new ATOM 522 N LEU A 34 4.264 10.509 -2.022 1.00 0.00 N ATOM 523 CA LEU A 34 5.326 10.344 -1.036 1.00 0.00 C ATOM 524 C LEU A 34 6.348 9.312 -1.495 1.00 0.00 C ATOM 525 O LEU A 34 7.552 9.569 -1.486 1.00 0.00 O ATOM 526 CB LEU A 34 4.734 9.921 0.315 1.00 0.00 C ATOM 527 CG LEU A 34 3.867 10.972 1.019 1.00 0.00 C ATOM 528 CD1 LEU A 34 3.216 10.352 2.248 1.00 0.00 C ATOM 529 CD2 LEU A 34 4.726 12.168 1.400 1.00 0.00 C ATOM 0 H LEU A 34 3.334 10.260 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 34 5.832 11.303 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.134 9.024 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.553 9.647 0.980 1.00 0.00 H new ATOM 0 HG LEU A 34 3.079 11.315 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.600 11.099 2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.592 9.511 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.989 10.002 2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.109 12.914 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.521 11.845 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.164 12.602 0.501 1.00 0.00 H new ATOM 541 N ALA A 35 5.861 8.144 -1.897 1.00 0.00 N ATOM 542 CA ALA A 35 6.734 7.033 -2.259 1.00 0.00 C ATOM 543 C ALA A 35 7.663 7.413 -3.406 1.00 0.00 C ATOM 544 O ALA A 35 8.858 7.124 -3.371 1.00 0.00 O ATOM 545 CB ALA A 35 5.909 5.809 -2.630 1.00 0.00 C ATOM 0 H ALA A 35 4.865 7.941 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 35 7.349 6.793 -1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.575 4.989 -2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.293 5.514 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.267 6.046 -3.478 1.00 0.00 H new ATOM 551 N ASN A 36 7.104 8.062 -4.422 1.00 0.00 N ATOM 552 CA ASN A 36 7.854 8.384 -5.630 1.00 0.00 C ATOM 553 C ASN A 36 8.656 9.668 -5.454 1.00 0.00 C ATOM 554 O ASN A 36 9.290 10.147 -6.394 1.00 0.00 O ATOM 555 CB ASN A 36 6.923 8.496 -6.824 1.00 0.00 C ATOM 556 CG ASN A 36 6.438 7.156 -7.304 1.00 0.00 C ATOM 557 OD1 ASN A 36 7.069 6.124 -7.048 1.00 0.00 O ATOM 558 ND2 ASN A 36 5.327 7.152 -7.998 1.00 0.00 N ATOM 0 H ASN A 36 6.133 8.375 -4.433 1.00 0.00 H new ATOM 0 HA ASN A 36 8.557 7.571 -5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.066 9.114 -6.556 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.440 9.004 -7.638 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.949 6.273 -8.351 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.839 8.028 -8.185 1.00 0.00 H new ATOM 565 N GLU A 37 8.624 10.219 -4.246 1.00 0.00 N ATOM 566 CA GLU A 37 9.527 11.301 -3.874 1.00 0.00 C ATOM 567 C GLU A 37 10.597 10.818 -2.904 1.00 0.00 C ATOM 568 O GLU A 37 11.386 11.610 -2.390 1.00 0.00 O ATOM 569 CB GLU A 37 8.744 12.457 -3.248 1.00 0.00 C ATOM 570 CG GLU A 37 7.863 13.223 -4.226 1.00 0.00 C ATOM 571 CD GLU A 37 7.075 14.320 -3.569 1.00 0.00 C ATOM 572 OE1 GLU A 37 7.243 14.523 -2.391 1.00 0.00 O ATOM 573 OE2 GLU A 37 6.303 14.958 -4.245 1.00 0.00 O ATOM 0 H GLU A 37 7.982 9.934 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 37 10.019 11.650 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.119 12.064 -2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.449 13.152 -2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.487 13.651 -5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.176 12.528 -4.709 1.00 0.00 H new ATOM 580 N GLY A 38 10.620 9.512 -2.660 1.00 0.00 N ATOM 581 CA GLY A 38 11.651 8.907 -1.826 1.00 0.00 C ATOM 582 C GLY A 38 11.369 9.139 -0.346 1.00 0.00 C ATOM 583 O GLY A 38 12.272 9.057 0.488 1.00 0.00 O ATOM 0 H GLY A 38 9.935 8.852 -3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.702 7.837 -2.026 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.624 9.326 -2.084 1.00 0.00 H new ATOM 587 N PHE A 39 10.112 9.428 -0.026 1.00 0.00 N ATOM 588 CA PHE A 39 9.709 9.669 1.353 1.00 0.00 C ATOM 589 C PHE A 39 9.823 8.401 2.190 1.00 0.00 C ATOM 590 O PHE A 39 10.509 8.379 3.211 1.00 0.00 O ATOM 591 CB PHE A 39 8.273 10.194 1.406 1.00 0.00 C ATOM 592 CG PHE A 39 7.770 10.446 2.799 1.00 0.00 C ATOM 593 CD1 PHE A 39 8.024 11.651 3.436 1.00 0.00 C ATOM 594 CD2 PHE A 39 7.044 9.477 3.475 1.00 0.00 C ATOM 595 CE1 PHE A 39 7.561 11.884 4.718 1.00 0.00 C ATOM 596 CE2 PHE A 39 6.580 9.707 4.756 1.00 0.00 C ATOM 597 CZ PHE A 39 6.840 10.912 5.378 1.00 0.00 C ATOM 0 H PHE A 39 9.354 9.501 -0.705 1.00 0.00 H new ATOM 0 HA PHE A 39 10.382 10.419 1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.214 11.121 0.835 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.615 9.476 0.917 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.590 12.416 2.925 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.839 8.532 2.995 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.764 12.828 5.202 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.014 8.945 5.271 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.479 11.093 6.380 1.00 0.00 H new ATOM 607 N TYR A 40 9.144 7.346 1.751 1.00 0.00 N ATOM 608 CA TYR A 40 9.120 6.090 2.491 1.00 0.00 C ATOM 609 C TYR A 40 10.444 5.348 2.360 1.00 0.00 C ATOM 610 O TYR A 40 10.797 4.533 3.213 1.00 0.00 O ATOM 611 CB TYR A 40 7.968 5.206 2.007 1.00 0.00 C ATOM 612 CG TYR A 40 6.601 5.702 2.425 1.00 0.00 C ATOM 613 CD1 TYR A 40 6.224 5.653 3.758 1.00 0.00 C ATOM 614 CD2 TYR A 40 5.726 6.205 1.475 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.976 6.105 4.141 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.477 6.658 1.857 1.00 0.00 C ATOM 617 CZ TYR A 40 4.105 6.606 3.195 1.00 0.00 C ATOM 618 OH TYR A 40 2.861 7.057 3.577 1.00 0.00 O ATOM 0 H TYR A 40 8.603 7.336 0.886 1.00 0.00 H new ATOM 0 HA TYR A 40 8.966 6.325 3.544 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.004 5.141 0.920 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.111 4.196 2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.906 5.261 4.498 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.020 6.243 0.436 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.682 6.066 5.180 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.793 7.051 1.119 1.00 0.00 H new ATOM 0 HH TYR A 40 2.794 7.043 4.555 1.00 0.00 H new ATOM 628 N ASN A 41 11.175 5.637 1.289 1.00 0.00 N ATOM 629 CA ASN A 41 12.498 5.058 1.087 1.00 0.00 C ATOM 630 C ASN A 41 13.451 5.458 2.205 1.00 0.00 C ATOM 631 O ASN A 41 13.853 6.618 2.307 1.00 0.00 O ATOM 632 CB ASN A 41 13.058 5.467 -0.264 1.00 0.00 C ATOM 633 CG ASN A 41 14.397 4.844 -0.547 1.00 0.00 C ATOM 634 OD1 ASN A 41 15.144 4.502 0.378 1.00 0.00 O ATOM 635 ND2 ASN A 41 14.715 4.690 -1.807 1.00 0.00 N ATOM 0 H ASN A 41 10.874 6.269 0.547 1.00 0.00 H new ATOM 0 HA ASN A 41 12.396 3.973 1.107 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.355 5.180 -1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.151 6.552 -0.301 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.611 4.273 -2.060 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.067 4.987 -2.537 1.00 0.00 H new ATOM 642 N GLY A 42 13.810 4.492 3.043 1.00 0.00 N ATOM 643 CA GLY A 42 14.774 4.724 4.112 1.00 0.00 C ATOM 644 C GLY A 42 14.093 4.739 5.475 1.00 0.00 C ATOM 645 O GLY A 42 14.758 4.738 6.511 1.00 0.00 O ATOM 0 H GLY A 42 13.447 3.540 3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.537 3.946 4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.283 5.674 3.946 1.00 0.00 H new ATOM 649 N LEU A 43 12.765 4.753 5.467 1.00 0.00 N ATOM 650 CA LEU A 43 11.991 4.776 6.702 1.00 0.00 C ATOM 651 C LEU A 43 11.776 3.370 7.245 1.00 0.00 C ATOM 652 O LEU A 43 12.006 2.383 6.547 1.00 0.00 O ATOM 653 CB LEU A 43 10.635 5.453 6.465 1.00 0.00 C ATOM 654 CG LEU A 43 10.691 6.919 6.018 1.00 0.00 C ATOM 655 CD1 LEU A 43 9.286 7.506 6.021 1.00 0.00 C ATOM 656 CD2 LEU A 43 11.611 7.698 6.947 1.00 0.00 C ATOM 0 H LEU A 43 12.201 4.749 4.617 1.00 0.00 H new ATOM 0 HA LEU A 43 12.556 5.346 7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.092 4.883 5.711 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.055 5.395 7.386 1.00 0.00 H new ATOM 0 HG LEU A 43 11.088 6.985 5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.326 8.548 5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.654 6.942 5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.870 7.449 7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.651 8.740 6.630 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.229 7.644 7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.612 7.269 6.911 1.00 0.00 H new ATOM 668 N THR A 44 11.334 3.285 8.495 1.00 0.00 N ATOM 669 CA THR A 44 11.119 1.998 9.145 1.00 0.00 C ATOM 670 C THR A 44 9.664 1.828 9.561 1.00 0.00 C ATOM 671 O THR A 44 8.803 2.622 9.181 1.00 0.00 O ATOM 672 CB THR A 44 12.031 1.838 10.376 1.00 0.00 C ATOM 673 OG1 THR A 44 11.645 2.782 11.384 1.00 0.00 O ATOM 674 CG2 THR A 44 13.484 2.072 9.997 1.00 0.00 C ATOM 0 H THR A 44 11.118 4.093 9.079 1.00 0.00 H new ATOM 0 HA THR A 44 11.369 1.225 8.419 1.00 0.00 H new ATOM 0 HB THR A 44 11.926 0.823 10.759 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.224 2.679 12.168 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.114 1.955 10.879 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.783 1.348 9.239 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.599 3.081 9.601 1.00 0.00 H new ATOM 682 N PHE A 45 9.394 0.789 10.344 1.00 0.00 N ATOM 683 CA PHE A 45 8.060 0.563 10.886 1.00 0.00 C ATOM 684 C PHE A 45 7.997 0.919 12.366 1.00 0.00 C ATOM 685 O PHE A 45 9.007 0.867 13.070 1.00 0.00 O ATOM 686 CB PHE A 45 7.643 -0.896 10.690 1.00 0.00 C ATOM 687 CG PHE A 45 7.362 -1.258 9.259 1.00 0.00 C ATOM 688 CD1 PHE A 45 8.384 -1.681 8.423 1.00 0.00 C ATOM 689 CD2 PHE A 45 6.076 -1.176 8.747 1.00 0.00 C ATOM 690 CE1 PHE A 45 8.126 -2.016 7.106 1.00 0.00 C ATOM 691 CE2 PHE A 45 5.816 -1.510 7.432 1.00 0.00 C ATOM 692 CZ PHE A 45 6.843 -1.930 6.611 1.00 0.00 C ATOM 0 H PHE A 45 10.083 0.089 10.618 1.00 0.00 H new ATOM 0 HA PHE A 45 7.370 1.211 10.345 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.432 -1.544 11.071 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.752 -1.093 11.287 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.392 -1.750 8.804 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.268 -0.847 9.384 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.931 -2.345 6.465 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.809 -1.443 7.046 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.641 -2.191 5.583 1.00 0.00 H new ATOM 702 N HIS A 46 6.807 1.282 12.833 1.00 0.00 N ATOM 703 CA HIS A 46 6.630 1.738 14.206 1.00 0.00 C ATOM 704 C HIS A 46 6.256 0.582 15.125 1.00 0.00 C ATOM 705 O HIS A 46 7.104 0.041 15.835 1.00 0.00 O ATOM 706 CB HIS A 46 5.554 2.826 14.280 1.00 0.00 C ATOM 707 CG HIS A 46 5.340 3.366 15.660 1.00 0.00 C ATOM 708 ND1 HIS A 46 4.306 4.225 15.970 1.00 0.00 N ATOM 709 CD2 HIS A 46 6.025 3.172 16.811 1.00 0.00 C ATOM 710 CE1 HIS A 46 4.365 4.535 17.254 1.00 0.00 C ATOM 711 NE2 HIS A 46 5.400 3.909 17.785 1.00 0.00 N ATOM 0 H HIS A 46 5.950 1.269 12.280 1.00 0.00 H new ATOM 0 HA HIS A 46 7.581 2.154 14.540 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.832 3.646 13.617 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.613 2.420 13.908 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.900 2.553 16.939 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.684 5.188 17.779 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.688 3.965 18.762 1.00 0.00 H new ATOM 718 N ARG A 47 4.981 0.208 15.109 1.00 0.00 N ATOM 719 CA ARG A 47 4.512 -0.951 15.859 1.00 0.00 C ATOM 720 C ARG A 47 4.367 -2.169 14.956 1.00 0.00 C ATOM 721 O ARG A 47 3.450 -2.242 14.138 1.00 0.00 O ATOM 722 CB ARG A 47 3.176 -0.655 16.524 1.00 0.00 C ATOM 723 CG ARG A 47 3.178 0.549 17.452 1.00 0.00 C ATOM 724 CD ARG A 47 1.856 0.743 18.102 1.00 0.00 C ATOM 725 NE ARG A 47 0.861 1.246 17.169 1.00 0.00 N ATOM 726 CZ ARG A 47 -0.460 1.318 17.424 1.00 0.00 C ATOM 727 NH1 ARG A 47 -0.928 0.915 18.585 1.00 0.00 N ATOM 728 NH2 ARG A 47 -1.285 1.792 16.508 1.00 0.00 N ATOM 0 H ARG A 47 4.253 0.692 14.584 1.00 0.00 H new ATOM 0 HA ARG A 47 5.257 -1.168 16.625 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.427 -0.496 15.748 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.866 -1.533 17.091 1.00 0.00 H new ATOM 0 HG2 ARG A 47 3.944 0.418 18.216 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.441 1.444 16.887 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.515 -0.204 18.521 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.959 1.440 18.933 1.00 0.00 H new ATOM 0 HE ARG A 47 1.186 1.567 16.257 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.291 0.548 19.292 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.928 0.969 18.778 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.922 2.104 15.607 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.285 1.846 16.701 1.00 0.00 H new ATOM 742 N VAL A 48 5.278 -3.125 15.108 1.00 0.00 N ATOM 743 CA VAL A 48 5.314 -4.294 14.238 1.00 0.00 C ATOM 744 C VAL A 48 4.717 -5.513 14.929 1.00 0.00 C ATOM 745 O VAL A 48 5.157 -5.904 16.011 1.00 0.00 O ATOM 746 CB VAL A 48 6.764 -4.603 13.820 1.00 0.00 C ATOM 747 CG1 VAL A 48 6.813 -5.855 12.956 1.00 0.00 C ATOM 748 CG2 VAL A 48 7.354 -3.413 13.079 1.00 0.00 C ATOM 0 H VAL A 48 6.002 -3.112 15.827 1.00 0.00 H new ATOM 0 HA VAL A 48 4.718 -4.068 13.354 1.00 0.00 H new ATOM 0 HB VAL A 48 7.359 -4.786 14.715 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.845 -6.059 12.669 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.419 -6.701 13.519 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.211 -5.703 12.060 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.379 -3.639 12.786 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.760 -3.208 12.189 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.346 -2.539 13.730 1.00 0.00 H new ATOM 758 N ILE A 49 3.712 -6.112 14.297 1.00 0.00 N ATOM 759 CA ILE A 49 3.080 -7.313 14.829 1.00 0.00 C ATOM 760 C ILE A 49 2.988 -8.402 13.769 1.00 0.00 C ATOM 761 O ILE A 49 2.005 -8.486 13.034 1.00 0.00 O ATOM 762 CB ILE A 49 1.672 -6.999 15.367 1.00 0.00 C ATOM 763 CG1 ILE A 49 1.705 -5.757 16.262 1.00 0.00 C ATOM 764 CG2 ILE A 49 1.116 -8.193 16.129 1.00 0.00 C ATOM 765 CD1 ILE A 49 0.342 -5.308 16.733 1.00 0.00 C ATOM 0 H ILE A 49 3.318 -5.784 13.415 1.00 0.00 H new ATOM 0 HA ILE A 49 3.703 -7.673 15.648 1.00 0.00 H new ATOM 0 HB ILE A 49 1.016 -6.795 14.521 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.329 -5.964 17.131 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.178 -4.940 15.717 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.120 -7.955 16.503 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.057 -9.054 15.463 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.772 -8.427 16.968 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.447 -4.424 17.362 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.280 -5.068 15.871 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.126 -6.108 17.307 1.00 0.00 H new ATOM 777 N PRO A 50 4.020 -9.237 13.695 1.00 0.00 N ATOM 778 CA PRO A 50 4.136 -10.219 12.623 1.00 0.00 C ATOM 779 C PRO A 50 2.986 -11.216 12.662 1.00 0.00 C ATOM 780 O PRO A 50 2.686 -11.793 13.708 1.00 0.00 O ATOM 781 CB PRO A 50 5.479 -10.893 12.919 1.00 0.00 C ATOM 782 CG PRO A 50 6.262 -9.850 13.641 1.00 0.00 C ATOM 783 CD PRO A 50 5.247 -9.152 14.505 1.00 0.00 C ATOM 0 HA PRO A 50 4.092 -9.779 11.627 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.350 -11.787 13.529 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.980 -11.203 12.002 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.057 -10.294 14.241 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.736 -9.157 12.946 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.130 -9.644 15.470 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.529 -8.118 14.706 1.00 0.00 H new ATOM 791 N GLY A 51 2.343 -11.415 11.517 1.00 0.00 N ATOM 792 CA GLY A 51 1.289 -12.414 11.394 1.00 0.00 C ATOM 793 C GLY A 51 -0.068 -11.833 11.771 1.00 0.00 C ATOM 794 O GLY A 51 -1.069 -12.548 11.819 1.00 0.00 O ATOM 0 H GLY A 51 2.534 -10.897 10.660 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.256 -12.787 10.370 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.514 -13.265 12.037 1.00 0.00 H new ATOM 798 N PHE A 52 -0.095 -10.532 12.038 1.00 0.00 N ATOM 799 CA PHE A 52 -1.339 -9.839 12.353 1.00 0.00 C ATOM 800 C PHE A 52 -1.468 -8.547 11.557 1.00 0.00 C ATOM 801 O PHE A 52 -2.060 -8.528 10.478 1.00 0.00 O ATOM 802 CB PHE A 52 -1.415 -9.532 13.850 1.00 0.00 C ATOM 803 CG PHE A 52 -1.557 -10.754 14.712 1.00 0.00 C ATOM 804 CD1 PHE A 52 -2.808 -11.284 14.990 1.00 0.00 C ATOM 805 CD2 PHE A 52 -0.440 -11.376 15.248 1.00 0.00 C ATOM 806 CE1 PHE A 52 -2.942 -12.406 15.784 1.00 0.00 C ATOM 807 CE2 PHE A 52 -0.569 -12.500 16.042 1.00 0.00 C ATOM 808 CZ PHE A 52 -1.820 -13.015 16.311 1.00 0.00 C ATOM 0 H PHE A 52 0.732 -9.935 12.043 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.163 -10.497 12.078 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.516 -8.992 14.147 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -2.261 -8.869 14.033 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.689 -10.813 14.580 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.543 -10.978 15.043 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.923 -12.807 15.993 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.310 -12.975 16.452 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.922 -13.892 16.932 1.00 0.00 H new ATOM 818 N VAL A 53 -0.911 -7.468 12.096 1.00 0.00 N ATOM 819 CA VAL A 53 -0.948 -6.172 11.429 1.00 0.00 C ATOM 820 C VAL A 53 0.146 -5.251 11.953 1.00 0.00 C ATOM 821 O VAL A 53 0.302 -5.082 13.163 1.00 0.00 O ATOM 822 CB VAL A 53 -2.320 -5.504 11.636 1.00 0.00 C ATOM 823 CG1 VAL A 53 -2.599 -5.308 13.118 1.00 0.00 C ATOM 824 CG2 VAL A 53 -2.365 -4.174 10.898 1.00 0.00 C ATOM 0 H VAL A 53 -0.428 -7.465 12.994 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.781 -6.342 10.365 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.095 -6.154 11.230 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.573 -4.835 13.245 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.597 -6.276 13.620 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.827 -4.673 13.553 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.338 -3.707 11.049 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.584 -3.518 11.283 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.205 -4.343 9.833 1.00 0.00 H new ATOM 834 N SER A 54 0.903 -4.657 11.037 1.00 0.00 N ATOM 835 CA SER A 54 2.031 -3.811 11.406 1.00 0.00 C ATOM 836 C SER A 54 1.840 -2.387 10.903 1.00 0.00 C ATOM 837 O SER A 54 1.244 -2.166 9.849 1.00 0.00 O ATOM 838 CB SER A 54 3.319 -4.386 10.847 1.00 0.00 C ATOM 839 OG SER A 54 3.602 -5.633 11.420 1.00 0.00 O ATOM 0 H SER A 54 0.755 -4.746 10.032 1.00 0.00 H new ATOM 0 HA SER A 54 2.089 -3.784 12.494 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.236 -4.489 9.765 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.142 -3.698 11.039 1.00 0.00 H new ATOM 0 HG SER A 54 4.341 -6.056 10.934 1.00 0.00 H new ATOM 845 N GLN A 55 2.348 -1.423 11.663 1.00 0.00 N ATOM 846 CA GLN A 55 2.178 -0.014 11.328 1.00 0.00 C ATOM 847 C GLN A 55 3.498 0.614 10.901 1.00 0.00 C ATOM 848 O GLN A 55 4.532 0.400 11.535 1.00 0.00 O ATOM 849 CB GLN A 55 1.595 0.753 12.518 1.00 0.00 C ATOM 850 CG GLN A 55 1.267 2.206 12.222 1.00 0.00 C ATOM 851 CD GLN A 55 0.670 2.921 13.419 1.00 0.00 C ATOM 852 OE1 GLN A 55 0.620 2.374 14.525 1.00 0.00 O ATOM 853 NE2 GLN A 55 0.215 4.151 13.207 1.00 0.00 N ATOM 0 H GLN A 55 2.881 -1.592 12.516 1.00 0.00 H new ATOM 0 HA GLN A 55 1.483 0.047 10.490 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.688 0.248 12.852 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.305 0.714 13.344 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.174 2.723 11.909 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.568 2.255 11.387 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.277 4.564 12.276 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.196 4.682 13.975 1.00 0.00 H new ATOM 862 N GLY A 56 3.458 1.390 9.824 1.00 0.00 N ATOM 863 CA GLY A 56 4.644 2.084 9.335 1.00 0.00 C ATOM 864 C GLY A 56 5.112 3.141 10.327 1.00 0.00 C ATOM 865 O GLY A 56 4.371 3.531 11.230 1.00 0.00 O ATOM 0 H GLY A 56 2.616 1.555 9.272 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.444 1.364 9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.424 2.553 8.376 1.00 0.00 H new ATOM 869 N GLY A 57 6.346 3.602 10.154 1.00 0.00 N ATOM 870 CA GLY A 57 6.923 4.599 11.048 1.00 0.00 C ATOM 871 C GLY A 57 6.926 5.980 10.404 1.00 0.00 C ATOM 872 O GLY A 57 6.043 6.307 9.612 1.00 0.00 O ATOM 0 H GLY A 57 6.966 3.301 9.402 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.355 4.630 11.978 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.943 4.313 11.306 1.00 0.00 H new ATOM 876 N CYS A 58 7.923 6.786 10.750 1.00 0.00 N ATOM 877 CA CYS A 58 7.978 8.173 10.303 1.00 0.00 C ATOM 878 C CYS A 58 9.416 8.665 10.208 1.00 0.00 C ATOM 879 O CYS A 58 10.314 8.116 10.847 1.00 0.00 O ATOM 880 CB CYS A 58 7.196 9.077 11.257 1.00 0.00 C ATOM 881 SG CYS A 58 7.876 9.144 12.933 1.00 0.00 S ATOM 0 H CYS A 58 8.706 6.502 11.340 1.00 0.00 H new ATOM 0 HA CYS A 58 7.527 8.215 9.312 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.171 10.086 10.846 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.165 8.728 11.308 1.00 0.00 H new ATOM 0 HG CYS A 58 7.138 9.920 13.670 1.00 0.00 H new ATOM 887 N PRO A 59 9.629 9.705 9.409 1.00 0.00 N ATOM 888 CA PRO A 59 10.964 10.259 9.212 1.00 0.00 C ATOM 889 C PRO A 59 11.465 10.949 10.474 1.00 0.00 C ATOM 890 O PRO A 59 12.667 11.149 10.648 1.00 0.00 O ATOM 891 CB PRO A 59 10.757 11.256 8.067 1.00 0.00 C ATOM 892 CG PRO A 59 9.318 11.632 8.165 1.00 0.00 C ATOM 893 CD PRO A 59 8.623 10.355 8.557 1.00 0.00 C ATOM 0 HA PRO A 59 11.717 9.504 8.986 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.404 12.126 8.175 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.986 10.806 7.101 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.161 12.414 8.908 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.942 12.014 7.216 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.695 10.545 9.095 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.369 9.746 7.689 1.00 0.00 H new ATOM 901 N ARG A 60 10.536 11.311 11.352 1.00 0.00 N ATOM 902 CA ARG A 60 10.884 11.964 12.609 1.00 0.00 C ATOM 903 C ARG A 60 11.504 10.977 13.590 1.00 0.00 C ATOM 904 O ARG A 60 12.311 11.354 14.438 1.00 0.00 O ATOM 905 CB ARG A 60 9.654 12.597 13.242 1.00 0.00 C ATOM 906 CG ARG A 60 9.109 13.810 12.506 1.00 0.00 C ATOM 907 CD ARG A 60 7.989 14.445 13.247 1.00 0.00 C ATOM 908 NE ARG A 60 7.523 15.657 12.592 1.00 0.00 N ATOM 909 CZ ARG A 60 8.122 16.860 12.692 1.00 0.00 C ATOM 910 NH1 ARG A 60 9.207 16.995 13.423 1.00 0.00 N ATOM 911 NH2 ARG A 60 7.619 17.904 12.056 1.00 0.00 N ATOM 0 H ARG A 60 9.536 11.163 11.217 1.00 0.00 H new ATOM 0 HA ARG A 60 11.615 12.740 12.383 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.868 11.845 13.305 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.898 12.889 14.263 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.908 14.537 12.361 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.767 13.511 11.515 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.164 13.738 13.333 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.312 14.682 14.261 1.00 0.00 H new ATOM 0 HE ARG A 60 6.684 15.592 12.016 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.595 16.189 13.914 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.661 17.905 13.499 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.777 17.799 11.489 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.073 18.814 12.132 1.00 0.00 H new ATOM 925 N GLY A 61 11.123 9.709 13.467 1.00 0.00 N ATOM 926 CA GLY A 61 11.651 8.662 14.333 1.00 0.00 C ATOM 927 C GLY A 61 11.036 8.737 15.725 1.00 0.00 C ATOM 928 O GLY A 61 11.543 8.135 16.671 1.00 0.00 O ATOM 0 H GLY A 61 10.449 9.382 12.774 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.446 7.686 13.894 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.734 8.758 14.405 1.00 0.00 H new ATOM 932 N ASN A 62 9.940 9.480 15.843 1.00 0.00 N ATOM 933 CA ASN A 62 9.276 9.666 17.128 1.00 0.00 C ATOM 934 C ASN A 62 8.067 8.749 17.262 1.00 0.00 C ATOM 935 O ASN A 62 7.489 8.622 18.341 1.00 0.00 O ATOM 936 CB ASN A 62 8.869 11.117 17.313 1.00 0.00 C ATOM 937 CG ASN A 62 10.050 12.032 17.477 1.00 0.00 C ATOM 938 OD1 ASN A 62 11.099 11.626 17.989 1.00 0.00 O ATOM 939 ND2 ASN A 62 9.901 13.261 17.052 1.00 0.00 N ATOM 0 H ASN A 62 9.493 9.963 15.064 1.00 0.00 H new ATOM 0 HA ASN A 62 9.985 9.402 17.913 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.282 11.438 16.453 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.225 11.201 18.188 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.669 13.927 17.137 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.017 13.553 16.636 1.00 0.00 H new ATOM 946 N GLY A 63 7.690 8.112 16.160 1.00 0.00 N ATOM 947 CA GLY A 63 6.543 7.211 16.150 1.00 0.00 C ATOM 948 C GLY A 63 5.282 7.931 15.689 1.00 0.00 C ATOM 949 O GLY A 63 4.228 7.315 15.527 1.00 0.00 O ATOM 0 H GLY A 63 8.162 8.203 15.260 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.745 6.367 15.490 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.388 6.804 17.149 1.00 0.00 H new ATOM 953 N THR A 64 5.396 9.238 15.479 1.00 0.00 N ATOM 954 CA THR A 64 4.264 10.046 15.039 1.00 0.00 C ATOM 955 C THR A 64 4.380 10.399 13.563 1.00 0.00 C ATOM 956 O THR A 64 5.247 11.178 13.167 1.00 0.00 O ATOM 957 CB THR A 64 4.147 11.335 15.873 1.00 0.00 C ATOM 958 OG1 THR A 64 3.940 11.000 17.251 1.00 0.00 O ATOM 959 CG2 THR A 64 2.984 12.183 15.381 1.00 0.00 C ATOM 0 H THR A 64 6.262 9.761 15.607 1.00 0.00 H new ATOM 0 HA THR A 64 3.364 9.449 15.186 1.00 0.00 H new ATOM 0 HB THR A 64 5.070 11.904 15.766 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.868 11.822 17.780 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.916 13.090 15.981 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.145 12.450 14.337 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.057 11.617 15.472 1.00 0.00 H new ATOM 967 N GLY A 65 3.501 9.822 12.751 1.00 0.00 N ATOM 968 CA GLY A 65 3.518 10.057 11.312 1.00 0.00 C ATOM 969 C GLY A 65 3.378 11.540 10.994 1.00 0.00 C ATOM 970 O GLY A 65 2.583 12.245 11.615 1.00 0.00 O ATOM 0 H GLY A 65 2.767 9.187 13.065 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.449 9.678 10.890 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.706 9.503 10.841 1.00 0.00 H new ATOM 974 N ASP A 66 4.156 12.007 10.023 1.00 0.00 N ATOM 975 CA ASP A 66 4.078 13.395 9.580 1.00 0.00 C ATOM 976 C ASP A 66 4.452 13.524 8.109 1.00 0.00 C ATOM 977 O ASP A 66 5.631 13.600 7.764 1.00 0.00 O ATOM 978 CB ASP A 66 4.995 14.280 10.426 1.00 0.00 C ATOM 979 CG ASP A 66 4.860 15.760 10.095 1.00 0.00 C ATOM 980 OD1 ASP A 66 4.179 16.077 9.149 1.00 0.00 O ATOM 981 OD2 ASP A 66 5.439 16.559 10.791 1.00 0.00 O ATOM 0 H ASP A 66 4.848 11.445 9.528 1.00 0.00 H new ATOM 0 HA ASP A 66 3.047 13.726 9.705 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.768 14.127 11.481 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.030 13.972 10.275 1.00 0.00 H new ATOM 986 N ALA A 67 3.442 13.550 7.248 1.00 0.00 N ATOM 987 CA ALA A 67 3.663 13.660 5.810 1.00 0.00 C ATOM 988 C ALA A 67 3.745 15.119 5.376 1.00 0.00 C ATOM 989 O ALA A 67 3.977 15.416 4.204 1.00 0.00 O ATOM 990 CB ALA A 67 2.559 12.943 5.047 1.00 0.00 C ATOM 0 H ALA A 67 2.460 13.496 7.520 1.00 0.00 H new ATOM 0 HA ALA A 67 4.616 13.185 5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.739 13.034 3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.550 11.889 5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.596 13.391 5.293 1.00 0.00 H new ATOM 996 N GLY A 68 3.552 16.026 6.327 1.00 0.00 N ATOM 997 CA GLY A 68 3.453 17.449 6.021 1.00 0.00 C ATOM 998 C GLY A 68 2.012 17.851 5.740 1.00 0.00 C ATOM 999 O GLY A 68 1.737 18.993 5.369 1.00 0.00 O ATOM 0 H GLY A 68 3.461 15.801 7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.840 18.032 6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.074 17.682 5.156 1.00 0.00 H new ATOM 1003 N TYR A 69 1.093 16.909 5.919 1.00 0.00 N ATOM 1004 CA TYR A 69 -0.321 17.156 5.656 1.00 0.00 C ATOM 1005 C TYR A 69 -1.188 16.033 6.210 1.00 0.00 C ATOM 1006 O TYR A 69 -0.680 15.065 6.776 1.00 0.00 O ATOM 1007 CB TYR A 69 -0.565 17.323 4.155 1.00 0.00 C ATOM 1008 CG TYR A 69 -0.032 16.181 3.318 1.00 0.00 C ATOM 1009 CD1 TYR A 69 -0.749 14.997 3.224 1.00 0.00 C ATOM 1010 CD2 TYR A 69 1.173 16.318 2.645 1.00 0.00 C ATOM 1011 CE1 TYR A 69 -0.261 13.955 2.460 1.00 0.00 C ATOM 1012 CE2 TYR A 69 1.661 15.275 1.882 1.00 0.00 C ATOM 1013 CZ TYR A 69 0.948 14.098 1.788 1.00 0.00 C ATOM 1014 OH TYR A 69 1.432 13.059 1.026 1.00 0.00 O ATOM 0 H TYR A 69 1.302 15.966 6.246 1.00 0.00 H new ATOM 0 HA TYR A 69 -0.599 18.080 6.163 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.636 17.420 3.979 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.102 18.252 3.822 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.688 14.890 3.748 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.730 17.240 2.718 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.817 13.032 2.385 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.600 15.381 1.359 1.00 0.00 H new ATOM 0 HH TYR A 69 2.286 13.320 0.622 1.00 0.00 H new ATOM 1024 N THR A 70 -2.499 16.168 6.044 1.00 0.00 N ATOM 1025 CA THR A 70 -3.438 15.145 6.489 1.00 0.00 C ATOM 1026 C THR A 70 -4.241 14.589 5.320 1.00 0.00 C ATOM 1027 O THR A 70 -4.364 15.232 4.278 1.00 0.00 O ATOM 1028 CB THR A 70 -4.397 15.700 7.558 1.00 0.00 C ATOM 1029 OG1 THR A 70 -5.102 16.832 7.031 1.00 0.00 O ATOM 1030 CG2 THR A 70 -3.626 16.121 8.800 1.00 0.00 C ATOM 0 H THR A 70 -2.936 16.978 5.604 1.00 0.00 H new ATOM 0 HA THR A 70 -2.852 14.337 6.927 1.00 0.00 H new ATOM 0 HB THR A 70 -5.105 14.917 7.830 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.925 16.530 6.593 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.320 16.511 9.545 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.099 15.260 9.211 1.00 0.00 H new ATOM 0 HG23 THR A 70 -2.905 16.895 8.536 1.00 0.00 H new ATOM 1038 N ILE A 71 -4.785 13.390 5.500 1.00 0.00 N ATOM 1039 CA ILE A 71 -5.492 12.701 4.428 1.00 0.00 C ATOM 1040 C ILE A 71 -6.963 12.513 4.769 1.00 0.00 C ATOM 1041 O ILE A 71 -7.306 11.806 5.716 1.00 0.00 O ATOM 1042 CB ILE A 71 -4.852 11.330 4.140 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -3.383 11.499 3.743 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -5.622 10.601 3.049 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -2.420 11.400 4.904 1.00 0.00 C ATOM 0 H ILE A 71 -4.749 12.875 6.380 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.416 13.325 3.537 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.896 10.730 5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.126 10.739 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.256 12.468 3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.156 9.634 2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.653 10.450 3.370 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.610 11.196 2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.400 11.530 4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.648 12.177 5.633 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.516 10.421 5.374 1.00 0.00 H new ATOM 1057 N PRO A 72 -7.833 13.151 3.991 1.00 0.00 N ATOM 1058 CA PRO A 72 -9.272 12.991 4.159 1.00 0.00 C ATOM 1059 C PRO A 72 -9.663 11.519 4.201 1.00 0.00 C ATOM 1060 O PRO A 72 -9.163 10.712 3.418 1.00 0.00 O ATOM 1061 CB PRO A 72 -9.843 13.692 2.922 1.00 0.00 C ATOM 1062 CG PRO A 72 -8.831 14.735 2.593 1.00 0.00 C ATOM 1063 CD PRO A 72 -7.508 14.080 2.889 1.00 0.00 C ATOM 0 HA PRO A 72 -9.646 13.408 5.094 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.979 12.994 2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.818 14.134 3.129 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.899 15.039 1.548 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.974 15.632 3.196 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.116 13.552 2.019 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.754 14.810 3.186 1.00 0.00 H new ATOM 1071 N CYS A 73 -10.558 11.176 5.121 1.00 0.00 N ATOM 1072 CA CYS A 73 -11.034 9.805 5.251 1.00 0.00 C ATOM 1073 C CYS A 73 -11.983 9.440 4.117 1.00 0.00 C ATOM 1074 O CYS A 73 -12.994 10.107 3.901 1.00 0.00 O ATOM 1075 CB CYS A 73 -11.751 9.609 6.588 1.00 0.00 C ATOM 1076 SG CYS A 73 -12.410 7.943 6.837 1.00 0.00 S ATOM 0 H CYS A 73 -10.968 11.830 5.788 1.00 0.00 H new ATOM 0 HA CYS A 73 -10.162 9.152 5.205 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.057 9.838 7.397 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -12.569 10.326 6.657 1.00 0.00 H new ATOM 0 HG CYS A 73 -11.545 7.067 6.419 1.00 0.00 H new ATOM 1082 N GLU A 74 -11.648 8.378 3.392 1.00 0.00 N ATOM 1083 CA GLU A 74 -12.443 7.952 2.245 1.00 0.00 C ATOM 1084 C GLU A 74 -13.276 6.722 2.579 1.00 0.00 C ATOM 1085 O GLU A 74 -13.948 6.161 1.714 1.00 0.00 O ATOM 1086 CB GLU A 74 -11.536 7.655 1.049 1.00 0.00 C ATOM 1087 CG GLU A 74 -10.672 8.829 0.608 1.00 0.00 C ATOM 1088 CD GLU A 74 -11.481 10.021 0.178 1.00 0.00 C ATOM 1089 OE1 GLU A 74 -12.380 9.853 -0.611 1.00 0.00 O ATOM 1090 OE2 GLU A 74 -11.200 11.103 0.639 1.00 0.00 O ATOM 0 H GLU A 74 -10.831 7.796 3.578 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.120 8.766 1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.887 6.816 1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.155 7.339 0.209 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.015 9.119 1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.032 8.514 -0.216 1.00 0.00 H new ATOM 1097 N THR A 75 -13.227 6.305 3.840 1.00 0.00 N ATOM 1098 CA THR A 75 -14.014 5.167 4.302 1.00 0.00 C ATOM 1099 C THR A 75 -15.507 5.453 4.206 1.00 0.00 C ATOM 1100 O THR A 75 -16.299 4.567 3.883 1.00 0.00 O ATOM 1101 CB THR A 75 -13.651 4.794 5.751 1.00 0.00 C ATOM 1102 OG1 THR A 75 -12.263 4.443 5.824 1.00 0.00 O ATOM 1103 CG2 THR A 75 -14.493 3.619 6.227 1.00 0.00 C ATOM 0 H THR A 75 -12.650 6.738 4.561 1.00 0.00 H new ATOM 0 HA THR A 75 -13.776 4.326 3.651 1.00 0.00 H new ATOM 0 HB THR A 75 -13.850 5.653 6.392 1.00 0.00 H new ATOM 0 HG1 THR A 75 -12.096 3.937 6.647 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.223 3.370 7.253 1.00 0.00 H new ATOM 0 HG22 THR A 75 -15.549 3.887 6.185 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.312 2.757 5.584 1.00 0.00 H new ATOM 1111 N ASP A 76 -15.885 6.696 4.487 1.00 0.00 N ATOM 1112 CA ASP A 76 -17.275 7.119 4.365 1.00 0.00 C ATOM 1113 C ASP A 76 -17.711 7.162 2.905 1.00 0.00 C ATOM 1114 O ASP A 76 -18.869 6.891 2.586 1.00 0.00 O ATOM 1115 CB ASP A 76 -17.475 8.496 5.004 1.00 0.00 C ATOM 1116 CG ASP A 76 -17.430 8.454 6.526 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -17.467 7.376 7.073 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -17.361 9.499 7.126 1.00 0.00 O ATOM 0 H ASP A 76 -15.248 7.428 4.801 1.00 0.00 H new ATOM 0 HA ASP A 76 -17.891 6.388 4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -16.703 9.175 4.641 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -18.434 8.904 4.685 1.00 0.00 H new ATOM 1123 N ASN A 77 -16.778 7.504 2.024 1.00 0.00 N ATOM 1124 CA ASN A 77 -17.070 7.606 0.600 1.00 0.00 C ATOM 1125 C ASN A 77 -17.170 6.229 -0.042 1.00 0.00 C ATOM 1126 O ASN A 77 -17.941 6.025 -0.981 1.00 0.00 O ATOM 1127 CB ASN A 77 -16.020 8.448 -0.102 1.00 0.00 C ATOM 1128 CG ASN A 77 -16.137 9.910 0.226 1.00 0.00 C ATOM 1129 OD1 ASN A 77 -17.209 10.387 0.618 1.00 0.00 O ATOM 1130 ND2 ASN A 77 -15.056 10.632 0.073 1.00 0.00 N ATOM 0 H ASN A 77 -15.811 7.716 2.272 1.00 0.00 H new ATOM 0 HA ASN A 77 -18.037 8.097 0.491 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -15.028 8.094 0.180 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -16.112 8.313 -1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -15.076 11.631 0.280 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -14.193 10.196 -0.253 1.00 0.00 H new ATOM 1137 N ASN A 78 -16.386 5.286 0.468 1.00 0.00 N ATOM 1138 CA ASN A 78 -16.452 3.903 0.009 1.00 0.00 C ATOM 1139 C ASN A 78 -16.210 2.930 1.155 1.00 0.00 C ATOM 1140 O ASN A 78 -15.072 2.545 1.426 1.00 0.00 O ATOM 1141 CB ASN A 78 -15.459 3.664 -1.113 1.00 0.00 C ATOM 1142 CG ASN A 78 -15.676 2.347 -1.806 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -16.333 1.449 -1.268 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -15.136 2.215 -2.991 1.00 0.00 N ATOM 0 H ASN A 78 -15.696 5.454 1.200 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.457 3.726 -0.375 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -15.538 4.471 -1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.447 3.696 -0.710 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -15.250 1.344 -3.509 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -14.602 2.983 -3.396 1.00 0.00 H new ATOM 1151 N PRO A 79 -17.286 2.534 1.827 1.00 0.00 N ATOM 1152 CA PRO A 79 -17.193 1.597 2.940 1.00 0.00 C ATOM 1153 C PRO A 79 -16.484 0.315 2.523 1.00 0.00 C ATOM 1154 O PRO A 79 -16.651 -0.161 1.400 1.00 0.00 O ATOM 1155 CB PRO A 79 -18.661 1.340 3.297 1.00 0.00 C ATOM 1156 CG PRO A 79 -19.363 2.588 2.883 1.00 0.00 C ATOM 1157 CD PRO A 79 -18.667 3.004 1.613 1.00 0.00 C ATOM 0 HA PRO A 79 -16.612 1.980 3.779 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -19.052 0.470 2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -18.784 1.149 4.363 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -20.425 2.410 2.714 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -19.287 3.360 3.649 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.119 2.543 0.735 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -18.708 4.083 1.464 1.00 0.00 H new ATOM 1165 N HIS A 80 -15.690 -0.238 3.433 1.00 0.00 N ATOM 1166 CA HIS A 80 -14.836 -1.376 3.114 1.00 0.00 C ATOM 1167 C HIS A 80 -14.462 -2.153 4.371 1.00 0.00 C ATOM 1168 O HIS A 80 -14.868 -1.796 5.477 1.00 0.00 O ATOM 1169 CB HIS A 80 -13.564 -0.914 2.396 1.00 0.00 C ATOM 1170 CG HIS A 80 -12.773 0.099 3.163 1.00 0.00 C ATOM 1171 ND1 HIS A 80 -12.870 1.454 2.925 1.00 0.00 N ATOM 1172 CD2 HIS A 80 -11.872 -0.044 4.163 1.00 0.00 C ATOM 1173 CE1 HIS A 80 -12.062 2.100 3.748 1.00 0.00 C ATOM 1174 NE2 HIS A 80 -11.446 1.214 4.508 1.00 0.00 N ATOM 0 H HIS A 80 -15.620 0.084 4.398 1.00 0.00 H new ATOM 0 HA HIS A 80 -15.400 -2.034 2.453 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.933 -1.781 2.199 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.837 -0.492 1.429 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -13.470 1.889 2.225 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -11.549 -0.974 4.606 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.929 3.171 3.791 1.00 0.00 H new ATOM 1181 N ARG A 81 -13.685 -3.216 4.193 1.00 0.00 N ATOM 1182 CA ARG A 81 -13.275 -4.061 5.309 1.00 0.00 C ATOM 1183 C ARG A 81 -11.762 -4.229 5.346 1.00 0.00 C ATOM 1184 O ARG A 81 -11.106 -4.259 4.305 1.00 0.00 O ATOM 1185 CB ARG A 81 -13.933 -5.430 5.214 1.00 0.00 C ATOM 1186 CG ARG A 81 -15.450 -5.418 5.310 1.00 0.00 C ATOM 1187 CD ARG A 81 -15.911 -5.177 6.701 1.00 0.00 C ATOM 1188 NE ARG A 81 -17.361 -5.138 6.794 1.00 0.00 N ATOM 1189 CZ ARG A 81 -18.049 -4.804 7.903 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -17.405 -4.482 9.004 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -19.370 -4.800 7.886 1.00 0.00 N ATOM 0 H ARG A 81 -13.326 -3.513 3.286 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.595 -3.569 6.227 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.647 -5.890 4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.538 -6.063 6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.850 -4.644 4.655 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.845 -6.370 4.956 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.527 -5.963 7.352 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.499 -4.235 7.062 1.00 0.00 H new ATOM 0 HE ARG A 81 -17.896 -5.381 5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -16.385 -4.485 9.018 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.926 -4.229 9.844 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -19.870 -5.050 7.033 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.890 -4.547 8.726 1.00 0.00 H new ATOM 1205 N HIS A 82 -11.213 -4.337 6.551 1.00 0.00 N ATOM 1206 CA HIS A 82 -9.784 -4.573 6.723 1.00 0.00 C ATOM 1207 C HIS A 82 -9.478 -6.064 6.808 1.00 0.00 C ATOM 1208 O HIS A 82 -9.297 -6.609 7.896 1.00 0.00 O ATOM 1209 CB HIS A 82 -9.267 -3.868 7.981 1.00 0.00 C ATOM 1210 CG HIS A 82 -9.354 -2.375 7.912 1.00 0.00 C ATOM 1211 ND1 HIS A 82 -10.553 -1.697 7.940 1.00 0.00 N ATOM 1212 CD2 HIS A 82 -8.389 -1.430 7.813 1.00 0.00 C ATOM 1213 CE1 HIS A 82 -10.323 -0.397 7.864 1.00 0.00 C ATOM 1214 NE2 HIS A 82 -9.018 -0.210 7.786 1.00 0.00 N ATOM 0 H HIS A 82 -11.736 -4.265 7.424 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.276 -4.163 5.850 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.836 -4.217 8.842 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.229 -4.155 8.147 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -11.474 -2.130 8.009 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.324 -1.604 7.764 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -11.074 0.379 7.865 1.00 0.00 H new ATOM 1221 N VAL A 83 -9.422 -6.717 5.652 1.00 0.00 N ATOM 1222 CA VAL A 83 -9.295 -8.169 5.599 1.00 0.00 C ATOM 1223 C VAL A 83 -7.875 -8.585 5.242 1.00 0.00 C ATOM 1224 O VAL A 83 -6.946 -7.780 5.311 1.00 0.00 O ATOM 1225 CB VAL A 83 -10.273 -8.753 4.562 1.00 0.00 C ATOM 1226 CG1 VAL A 83 -11.711 -8.446 4.954 1.00 0.00 C ATOM 1227 CG2 VAL A 83 -9.960 -8.194 3.183 1.00 0.00 C ATOM 0 H VAL A 83 -9.463 -6.264 4.739 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.535 -8.559 6.588 1.00 0.00 H new ATOM 0 HB VAL A 83 -10.154 -9.836 4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.388 -8.866 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.924 -8.886 5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.852 -7.366 5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.655 -8.611 2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.059 -7.109 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.940 -8.461 2.905 1.00 0.00 H new ATOM 1237 N THR A 84 -7.710 -9.848 4.863 1.00 0.00 N ATOM 1238 CA THR A 84 -6.396 -10.383 4.531 1.00 0.00 C ATOM 1239 C THR A 84 -5.684 -9.504 3.511 1.00 0.00 C ATOM 1240 O THR A 84 -6.143 -9.354 2.379 1.00 0.00 O ATOM 1241 CB THR A 84 -6.504 -11.821 3.988 1.00 0.00 C ATOM 1242 OG1 THR A 84 -7.143 -12.656 4.963 1.00 0.00 O ATOM 1243 CG2 THR A 84 -5.124 -12.378 3.676 1.00 0.00 C ATOM 0 H THR A 84 -8.472 -10.521 4.778 1.00 0.00 H new ATOM 0 HA THR A 84 -5.812 -10.396 5.451 1.00 0.00 H new ATOM 0 HB THR A 84 -7.094 -11.804 3.071 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.213 -13.570 4.616 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.220 -13.394 3.294 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.640 -11.752 2.926 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.522 -12.387 4.584 1.00 0.00 H new ATOM 1251 N GLY A 85 -4.561 -8.924 3.919 1.00 0.00 N ATOM 1252 CA GLY A 85 -3.667 -8.243 2.988 1.00 0.00 C ATOM 1253 C GLY A 85 -3.951 -6.747 2.948 1.00 0.00 C ATOM 1254 O GLY A 85 -3.175 -5.974 2.386 1.00 0.00 O ATOM 0 H GLY A 85 -4.247 -8.911 4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.632 -8.412 3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.786 -8.665 1.990 1.00 0.00 H new ATOM 1258 N ALA A 86 -5.067 -6.345 3.546 1.00 0.00 N ATOM 1259 CA ALA A 86 -5.542 -4.970 3.439 1.00 0.00 C ATOM 1260 C ALA A 86 -4.468 -3.982 3.879 1.00 0.00 C ATOM 1261 O ALA A 86 -3.792 -4.194 4.885 1.00 0.00 O ATOM 1262 CB ALA A 86 -6.806 -4.780 4.263 1.00 0.00 C ATOM 0 H ALA A 86 -5.661 -6.953 4.111 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.773 -4.774 2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.148 -3.749 4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.582 -5.453 3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.595 -5.002 5.309 1.00 0.00 H new ATOM 1268 N MET A 87 -4.318 -2.902 3.119 1.00 0.00 N ATOM 1269 CA MET A 87 -3.403 -1.829 3.487 1.00 0.00 C ATOM 1270 C MET A 87 -4.143 -0.506 3.650 1.00 0.00 C ATOM 1271 O MET A 87 -4.748 -0.002 2.705 1.00 0.00 O ATOM 1272 CB MET A 87 -2.298 -1.696 2.442 1.00 0.00 C ATOM 1273 CG MET A 87 -1.242 -0.651 2.771 1.00 0.00 C ATOM 1274 SD MET A 87 0.019 -0.508 1.488 1.00 0.00 S ATOM 1275 CE MET A 87 0.891 -2.058 1.698 1.00 0.00 C ATOM 0 H MET A 87 -4.819 -2.747 2.244 1.00 0.00 H new ATOM 0 HA MET A 87 -2.953 -2.082 4.447 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.809 -2.663 2.323 1.00 0.00 H new ATOM 0 HB3 MET A 87 -2.751 -1.447 1.482 1.00 0.00 H new ATOM 0 HG2 MET A 87 -1.725 0.316 2.910 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.765 -0.908 3.717 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.954 -1.862 1.835 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.503 -2.578 2.574 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.747 -2.679 0.814 1.00 0.00 H new ATOM 1285 N SER A 88 -4.090 0.050 4.856 1.00 0.00 N ATOM 1286 CA SER A 88 -4.890 1.221 5.195 1.00 0.00 C ATOM 1287 C SER A 88 -4.016 2.351 5.725 1.00 0.00 C ATOM 1288 O SER A 88 -2.962 2.110 6.313 1.00 0.00 O ATOM 1289 CB SER A 88 -5.939 0.856 6.226 1.00 0.00 C ATOM 1290 OG SER A 88 -5.343 0.449 7.427 1.00 0.00 O ATOM 0 H SER A 88 -3.501 -0.292 5.615 1.00 0.00 H new ATOM 0 HA SER A 88 -5.382 1.567 4.286 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.587 1.713 6.410 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.570 0.056 5.840 1.00 0.00 H new ATOM 0 HG SER A 88 -6.040 0.220 8.077 1.00 0.00 H new ATOM 1296 N MET A 89 -4.459 3.585 5.511 1.00 0.00 N ATOM 1297 CA MET A 89 -3.749 4.752 6.018 1.00 0.00 C ATOM 1298 C MET A 89 -4.232 5.130 7.412 1.00 0.00 C ATOM 1299 O MET A 89 -5.435 5.191 7.667 1.00 0.00 O ATOM 1300 CB MET A 89 -3.917 5.930 5.059 1.00 0.00 C ATOM 1301 CG MET A 89 -3.150 7.182 5.459 1.00 0.00 C ATOM 1302 SD MET A 89 -1.363 6.939 5.439 1.00 0.00 S ATOM 1303 CE MET A 89 -1.064 6.778 3.682 1.00 0.00 C ATOM 0 H MET A 89 -5.308 3.802 4.989 1.00 0.00 H new ATOM 0 HA MET A 89 -2.691 4.500 6.088 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.593 5.622 4.065 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.977 6.176 4.987 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.410 7.995 4.781 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.460 7.489 6.458 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.001 6.907 3.481 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.379 5.789 3.348 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.630 7.540 3.145 1.00 0.00 H new ATOM 1313 N ALA A 90 -3.288 5.381 8.313 1.00 0.00 N ATOM 1314 CA ALA A 90 -3.613 5.676 9.703 1.00 0.00 C ATOM 1315 C ALA A 90 -4.245 7.055 9.840 1.00 0.00 C ATOM 1316 O ALA A 90 -3.722 8.042 9.322 1.00 0.00 O ATOM 1317 CB ALA A 90 -2.369 5.576 10.572 1.00 0.00 C ATOM 0 H ALA A 90 -2.290 5.386 8.104 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.339 4.937 10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.629 5.799 11.607 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.962 4.567 10.510 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.623 6.290 10.223 1.00 0.00 H new ATOM 1323 N HIS A 91 -5.372 7.117 10.539 1.00 0.00 N ATOM 1324 CA HIS A 91 -5.979 8.392 10.903 1.00 0.00 C ATOM 1325 C HIS A 91 -6.929 8.233 12.084 1.00 0.00 C ATOM 1326 O HIS A 91 -7.071 7.141 12.636 1.00 0.00 O ATOM 1327 CB HIS A 91 -6.732 8.993 9.712 1.00 0.00 C ATOM 1328 CG HIS A 91 -7.901 8.173 9.263 1.00 0.00 C ATOM 1329 ND1 HIS A 91 -9.093 8.136 9.955 1.00 0.00 N ATOM 1330 CD2 HIS A 91 -8.060 7.359 8.193 1.00 0.00 C ATOM 1331 CE1 HIS A 91 -9.936 7.334 9.328 1.00 0.00 C ATOM 1332 NE2 HIS A 91 -9.333 6.850 8.258 1.00 0.00 N ATOM 0 H HIS A 91 -5.885 6.298 10.866 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.174 9.067 11.193 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.081 9.990 9.980 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -6.040 9.110 8.878 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.324 7.150 7.431 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.946 7.112 9.638 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.747 6.202 7.588 1.00 0.00 H new ATOM 1339 N ARG A 92 -7.578 9.327 12.466 1.00 0.00 N ATOM 1340 CA ARG A 92 -8.521 9.310 13.578 1.00 0.00 C ATOM 1341 C ARG A 92 -9.823 10.008 13.207 1.00 0.00 C ATOM 1342 O ARG A 92 -10.479 10.611 14.056 1.00 0.00 O ATOM 1343 CB ARG A 92 -7.918 9.985 14.802 1.00 0.00 C ATOM 1344 CG ARG A 92 -6.678 9.304 15.360 1.00 0.00 C ATOM 1345 CD ARG A 92 -7.000 7.987 15.967 1.00 0.00 C ATOM 1346 NE ARG A 92 -5.839 7.384 16.602 1.00 0.00 N ATOM 1347 CZ ARG A 92 -4.892 6.678 15.952 1.00 0.00 C ATOM 1348 NH1 ARG A 92 -4.983 6.496 14.653 1.00 0.00 N ATOM 1349 NH2 ARG A 92 -3.873 6.169 16.621 1.00 0.00 N ATOM 0 H ARG A 92 -7.468 10.238 12.021 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.736 8.267 13.809 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.666 11.014 14.545 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.675 10.029 15.585 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.948 9.168 14.562 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.216 9.947 16.109 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.793 8.111 16.704 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.382 7.316 15.197 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.734 7.504 17.609 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.770 6.889 14.137 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.266 5.962 14.161 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.803 6.310 17.629 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.156 5.635 16.130 1.00 0.00 H new ATOM 1363 N GLY A 93 -10.193 9.922 11.934 1.00 0.00 N ATOM 1364 CA GLY A 93 -11.383 10.599 11.434 1.00 0.00 C ATOM 1365 C GLY A 93 -11.107 11.294 10.108 1.00 0.00 C ATOM 1366 O GLY A 93 -10.068 11.072 9.485 1.00 0.00 O ATOM 0 H GLY A 93 -9.685 9.389 11.229 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.189 9.876 11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.723 11.331 12.167 1.00 0.00 H new ATOM 1370 N ARG A 94 -12.042 12.135 9.679 1.00 0.00 N ATOM 1371 CA ARG A 94 -11.934 12.809 8.392 1.00 0.00 C ATOM 1372 C ARG A 94 -10.826 13.854 8.408 1.00 0.00 C ATOM 1373 O ARG A 94 -10.863 14.800 9.196 1.00 0.00 O ATOM 1374 CB ARG A 94 -13.251 13.477 8.025 1.00 0.00 C ATOM 1375 CG ARG A 94 -14.389 12.519 7.711 1.00 0.00 C ATOM 1376 CD ARG A 94 -15.653 13.242 7.422 1.00 0.00 C ATOM 1377 NE ARG A 94 -16.765 12.329 7.211 1.00 0.00 N ATOM 1378 CZ ARG A 94 -18.040 12.711 7.002 1.00 0.00 C ATOM 1379 NH1 ARG A 94 -18.348 13.989 6.977 1.00 0.00 N ATOM 1380 NH2 ARG A 94 -18.981 11.802 6.820 1.00 0.00 N ATOM 0 H ARG A 94 -12.884 12.366 10.206 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.692 12.052 7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.556 14.123 8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.087 14.119 7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.119 11.902 6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.540 11.845 8.554 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.885 13.912 8.250 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.521 13.864 6.537 1.00 0.00 H new ATOM 0 HE ARG A 94 -16.566 11.329 7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.622 14.691 7.116 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.313 14.278 6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.742 10.810 6.838 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.946 12.092 6.662 1.00 0.00 H new ATOM 1394 N ASP A 95 -9.842 13.679 7.534 1.00 0.00 N ATOM 1395 CA ASP A 95 -8.800 14.682 7.340 1.00 0.00 C ATOM 1396 C ASP A 95 -7.880 14.760 8.551 1.00 0.00 C ATOM 1397 O ASP A 95 -7.488 15.847 8.976 1.00 0.00 O ATOM 1398 CB ASP A 95 -9.422 16.055 7.074 1.00 0.00 C ATOM 1399 CG ASP A 95 -8.490 16.989 6.314 1.00 0.00 C ATOM 1400 OD1 ASP A 95 -7.556 16.509 5.717 1.00 0.00 O ATOM 1401 OD2 ASP A 95 -8.721 18.175 6.338 1.00 0.00 O ATOM 0 H ASP A 95 -9.743 12.851 6.947 1.00 0.00 H new ATOM 0 HA ASP A 95 -8.208 14.383 6.475 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -10.343 15.927 6.506 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -9.695 16.515 8.024 1.00 0.00 H new ATOM 1406 N THR A 96 -7.535 13.602 9.102 1.00 0.00 N ATOM 1407 CA THR A 96 -6.597 13.531 10.216 1.00 0.00 C ATOM 1408 C THR A 96 -5.509 12.497 9.956 1.00 0.00 C ATOM 1409 O THR A 96 -4.936 11.936 10.890 1.00 0.00 O ATOM 1410 CB THR A 96 -7.323 13.199 11.533 1.00 0.00 C ATOM 1411 OG1 THR A 96 -7.999 11.941 11.404 1.00 0.00 O ATOM 1412 CG2 THR A 96 -8.335 14.282 11.872 1.00 0.00 C ATOM 0 H THR A 96 -7.892 12.697 8.794 1.00 0.00 H new ATOM 0 HA THR A 96 -6.132 14.513 10.308 1.00 0.00 H new ATOM 0 HB THR A 96 -6.585 13.143 12.333 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.622 11.980 10.649 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.838 14.030 12.806 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.822 15.238 11.982 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.071 14.356 11.071 1.00 0.00 H new ATOM 1420 N GLY A 97 -5.229 12.247 8.682 1.00 0.00 N ATOM 1421 CA GLY A 97 -4.341 11.159 8.291 1.00 0.00 C ATOM 1422 C GLY A 97 -2.884 11.516 8.555 1.00 0.00 C ATOM 1423 O GLY A 97 -2.518 12.690 8.582 1.00 0.00 O ATOM 0 H GLY A 97 -5.605 12.784 7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.603 10.256 8.843 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.478 10.937 7.233 1.00 0.00 H new ATOM 1427 N SER A 98 -2.057 10.494 8.750 1.00 0.00 N ATOM 1428 CA SER A 98 -0.618 10.690 8.887 1.00 0.00 C ATOM 1429 C SER A 98 0.141 9.999 7.761 1.00 0.00 C ATOM 1430 O SER A 98 -0.458 9.515 6.800 1.00 0.00 O ATOM 1431 CB SER A 98 -0.145 10.161 10.226 1.00 0.00 C ATOM 1432 OG SER A 98 -0.151 8.760 10.244 1.00 0.00 O ATOM 0 H SER A 98 -2.358 9.522 8.817 1.00 0.00 H new ATOM 0 HA SER A 98 -0.417 11.760 8.829 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.861 10.526 10.430 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.789 10.541 11.019 1.00 0.00 H new ATOM 0 HG SER A 98 0.160 8.443 11.118 1.00 0.00 H new ATOM 1438 N CYS A 99 1.464 9.958 7.884 1.00 0.00 N ATOM 1439 CA CYS A 99 2.300 9.244 6.928 1.00 0.00 C ATOM 1440 C CYS A 99 2.329 7.750 7.227 1.00 0.00 C ATOM 1441 O CYS A 99 2.828 6.957 6.429 1.00 0.00 O ATOM 1442 CB CYS A 99 3.728 9.791 6.948 1.00 0.00 C ATOM 1443 SG CYS A 99 4.736 9.174 8.318 1.00 0.00 S ATOM 0 H CYS A 99 1.980 10.412 8.638 1.00 0.00 H new ATOM 0 HA CYS A 99 1.867 9.396 5.939 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.217 9.536 6.008 1.00 0.00 H new ATOM 0 HB3 CYS A 99 3.688 10.879 7.001 1.00 0.00 H new ATOM 0 HG CYS A 99 5.976 9.518 8.134 1.00 0.00 H new ATOM 1449 N GLN A 100 1.792 7.374 8.382 1.00 0.00 N ATOM 1450 CA GLN A 100 1.824 5.985 8.825 1.00 0.00 C ATOM 1451 C GLN A 100 0.653 5.197 8.251 1.00 0.00 C ATOM 1452 O GLN A 100 -0.421 5.749 8.011 1.00 0.00 O ATOM 1453 CB GLN A 100 1.805 5.909 10.354 1.00 0.00 C ATOM 1454 CG GLN A 100 3.039 6.491 11.021 1.00 0.00 C ATOM 1455 CD GLN A 100 2.944 6.468 12.535 1.00 0.00 C ATOM 1456 OE1 GLN A 100 2.307 7.332 13.145 1.00 0.00 O ATOM 1457 NE2 GLN A 100 3.577 5.477 13.151 1.00 0.00 N ATOM 0 H GLN A 100 1.329 8.012 9.029 1.00 0.00 H new ATOM 0 HA GLN A 100 2.749 5.541 8.458 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.924 6.435 10.722 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.701 4.866 10.654 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.918 5.928 10.706 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.180 7.518 10.684 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.092 4.784 12.607 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.549 5.408 14.168 1.00 0.00 H new ATOM 1466 N PHE A 101 0.867 3.904 8.032 1.00 0.00 N ATOM 1467 CA PHE A 101 -0.156 3.047 7.444 1.00 0.00 C ATOM 1468 C PHE A 101 -0.039 1.618 7.959 1.00 0.00 C ATOM 1469 O PHE A 101 1.039 1.178 8.357 1.00 0.00 O ATOM 1470 CB PHE A 101 -0.049 3.056 5.919 1.00 0.00 C ATOM 1471 CG PHE A 101 1.244 2.494 5.400 1.00 0.00 C ATOM 1472 CD1 PHE A 101 2.372 3.293 5.291 1.00 0.00 C ATOM 1473 CD2 PHE A 101 1.335 1.164 5.018 1.00 0.00 C ATOM 1474 CE1 PHE A 101 3.561 2.778 4.813 1.00 0.00 C ATOM 1475 CE2 PHE A 101 2.524 0.645 4.540 1.00 0.00 C ATOM 1476 CZ PHE A 101 3.637 1.451 4.437 1.00 0.00 C ATOM 0 H PHE A 101 1.741 3.426 8.253 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.129 3.442 7.738 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.877 2.483 5.502 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.159 4.080 5.562 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.320 4.331 5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.467 0.526 5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.431 3.413 4.733 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.581 -0.393 4.247 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.566 1.046 4.063 1.00 0.00 H new ATOM 1486 N PHE A 102 -1.156 0.898 7.947 1.00 0.00 N ATOM 1487 CA PHE A 102 -1.199 -0.455 8.489 1.00 0.00 C ATOM 1488 C PHE A 102 -1.150 -1.495 7.376 1.00 0.00 C ATOM 1489 O PHE A 102 -1.941 -1.450 6.435 1.00 0.00 O ATOM 1490 CB PHE A 102 -2.465 -0.656 9.324 1.00 0.00 C ATOM 1491 CG PHE A 102 -2.474 0.124 10.608 1.00 0.00 C ATOM 1492 CD1 PHE A 102 -2.868 1.453 10.626 1.00 0.00 C ATOM 1493 CD2 PHE A 102 -2.087 -0.470 11.800 1.00 0.00 C ATOM 1494 CE1 PHE A 102 -2.876 2.172 11.807 1.00 0.00 C ATOM 1495 CE2 PHE A 102 -2.096 0.245 12.982 1.00 0.00 C ATOM 1496 CZ PHE A 102 -2.490 1.569 12.984 1.00 0.00 C ATOM 0 H PHE A 102 -2.043 1.229 7.568 1.00 0.00 H new ATOM 0 HA PHE A 102 -0.323 -0.585 9.125 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -3.331 -0.368 8.729 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.574 -1.716 9.553 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.172 1.932 9.707 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.775 -1.504 11.804 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.185 3.207 11.807 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.795 -0.231 13.904 1.00 0.00 H new ATOM 0 HZ PHE A 102 -2.495 2.130 13.907 1.00 0.00 H new ATOM 1506 N ILE A 103 -0.214 -2.432 7.492 1.00 0.00 N ATOM 1507 CA ILE A 103 -0.205 -3.615 6.638 1.00 0.00 C ATOM 1508 C ILE A 103 -0.860 -4.801 7.335 1.00 0.00 C ATOM 1509 O ILE A 103 -0.316 -5.347 8.294 1.00 0.00 O ATOM 1510 CB ILE A 103 1.232 -3.986 6.231 1.00 0.00 C ATOM 1511 CG1 ILE A 103 1.887 -2.831 5.470 1.00 0.00 C ATOM 1512 CG2 ILE A 103 1.234 -5.252 5.387 1.00 0.00 C ATOM 1513 CD1 ILE A 103 3.343 -3.067 5.136 1.00 0.00 C ATOM 0 H ILE A 103 0.548 -2.395 8.169 1.00 0.00 H new ATOM 0 HA ILE A 103 -0.778 -3.375 5.742 1.00 0.00 H new ATOM 0 HB ILE A 103 1.811 -4.174 7.135 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.335 -2.658 4.546 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.803 -1.922 6.066 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.258 -5.501 5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.805 -6.073 5.961 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.641 -5.090 4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.737 -2.205 4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.909 -3.209 6.057 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.434 -3.957 4.513 1.00 0.00 H new ATOM 1525 N VAL A 104 -2.031 -5.196 6.846 1.00 0.00 N ATOM 1526 CA VAL A 104 -2.798 -6.268 7.467 1.00 0.00 C ATOM 1527 C VAL A 104 -2.467 -7.616 6.840 1.00 0.00 C ATOM 1528 O VAL A 104 -2.574 -7.790 5.626 1.00 0.00 O ATOM 1529 CB VAL A 104 -4.307 -5.997 7.326 1.00 0.00 C ATOM 1530 CG1 VAL A 104 -5.113 -7.130 7.944 1.00 0.00 C ATOM 1531 CG2 VAL A 104 -4.658 -4.668 7.979 1.00 0.00 C ATOM 0 H VAL A 104 -2.469 -4.789 6.020 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.529 -6.298 8.523 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.558 -5.943 6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.177 -6.921 7.835 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.873 -8.065 7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.867 -7.216 9.002 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.727 -4.483 7.875 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.396 -4.702 9.037 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.102 -3.866 7.493 1.00 0.00 H new ATOM 1541 N HIS A 105 -2.065 -8.568 7.675 1.00 0.00 N ATOM 1542 CA HIS A 105 -1.814 -9.930 7.220 1.00 0.00 C ATOM 1543 C HIS A 105 -3.038 -10.815 7.429 1.00 0.00 C ATOM 1544 O HIS A 105 -3.476 -11.511 6.513 1.00 0.00 O ATOM 1545 CB HIS A 105 -0.611 -10.533 7.952 1.00 0.00 C ATOM 1546 CG HIS A 105 -0.101 -11.797 7.332 1.00 0.00 C ATOM 1547 ND1 HIS A 105 -0.675 -13.028 7.572 1.00 0.00 N ATOM 1548 CD2 HIS A 105 0.928 -12.020 6.481 1.00 0.00 C ATOM 1549 CE1 HIS A 105 -0.018 -13.955 6.894 1.00 0.00 C ATOM 1550 NE2 HIS A 105 0.958 -13.369 6.226 1.00 0.00 N ATOM 0 H HIS A 105 -1.906 -8.421 8.672 1.00 0.00 H new ATOM 0 HA HIS A 105 -1.596 -9.884 6.153 1.00 0.00 H new ATOM 0 HB2 HIS A 105 0.195 -9.799 7.975 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -0.889 -10.733 8.987 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -1.479 -13.197 8.177 1.00 0.00 H new ATOM 0 HD2 HIS A 105 1.600 -11.276 6.078 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.242 -15.011 6.888 1.00 0.00 H new ATOM 1557 N GLU A 106 -3.585 -10.782 8.638 1.00 0.00 N ATOM 1558 CA GLU A 106 -4.801 -11.524 8.950 1.00 0.00 C ATOM 1559 C GLU A 106 -5.998 -10.591 9.079 1.00 0.00 C ATOM 1560 O GLU A 106 -5.855 -9.432 9.468 1.00 0.00 O ATOM 1561 CB GLU A 106 -4.622 -12.323 10.243 1.00 0.00 C ATOM 1562 CG GLU A 106 -3.523 -13.375 10.185 1.00 0.00 C ATOM 1563 CD GLU A 106 -3.749 -14.400 9.109 1.00 0.00 C ATOM 1564 OE1 GLU A 106 -4.790 -15.012 9.107 1.00 0.00 O ATOM 1565 OE2 GLU A 106 -2.881 -14.569 8.285 1.00 0.00 O ATOM 0 H GLU A 106 -3.205 -10.248 9.420 1.00 0.00 H new ATOM 0 HA GLU A 106 -4.991 -12.213 8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.403 -11.631 11.056 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.565 -12.813 10.487 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.565 -12.883 10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.457 -13.877 11.150 1.00 0.00 H new ATOM 1572 N PRO A 107 -7.180 -11.105 8.752 1.00 0.00 N ATOM 1573 CA PRO A 107 -8.404 -10.316 8.830 1.00 0.00 C ATOM 1574 C PRO A 107 -8.556 -9.668 10.199 1.00 0.00 C ATOM 1575 O PRO A 107 -8.427 -10.330 11.229 1.00 0.00 O ATOM 1576 CB PRO A 107 -9.499 -11.357 8.574 1.00 0.00 C ATOM 1577 CG PRO A 107 -8.847 -12.366 7.691 1.00 0.00 C ATOM 1578 CD PRO A 107 -7.439 -12.465 8.215 1.00 0.00 C ATOM 0 HA PRO A 107 -8.430 -9.487 8.122 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.846 -11.807 9.504 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.369 -10.910 8.093 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.358 -13.327 7.740 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -8.862 -12.050 6.648 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -7.350 -13.227 8.989 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.734 -12.728 7.427 1.00 0.00 H new ATOM 1586 N GLN A 108 -8.830 -8.368 10.205 1.00 0.00 N ATOM 1587 CA GLN A 108 -9.015 -7.629 11.448 1.00 0.00 C ATOM 1588 C GLN A 108 -10.299 -6.810 11.417 1.00 0.00 C ATOM 1589 O GLN A 108 -10.299 -5.653 10.996 1.00 0.00 O ATOM 1590 CB GLN A 108 -7.817 -6.712 11.710 1.00 0.00 C ATOM 1591 CG GLN A 108 -6.533 -7.447 12.053 1.00 0.00 C ATOM 1592 CD GLN A 108 -6.553 -8.024 13.456 1.00 0.00 C ATOM 1593 OE1 GLN A 108 -5.945 -7.472 14.378 1.00 0.00 O ATOM 1594 NE2 GLN A 108 -7.254 -9.138 13.626 1.00 0.00 N ATOM 0 H GLN A 108 -8.929 -7.804 9.361 1.00 0.00 H new ATOM 0 HA GLN A 108 -9.092 -8.355 12.257 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -7.645 -6.096 10.827 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -8.064 -6.035 12.528 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -6.375 -8.251 11.335 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -5.690 -6.763 11.956 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -7.741 -9.560 12.835 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -7.306 -9.572 14.547 1.00 0.00 H new ATOM 1603 N PRO A 109 -11.392 -7.417 11.866 1.00 0.00 N ATOM 1604 CA PRO A 109 -12.677 -6.730 11.933 1.00 0.00 C ATOM 1605 C PRO A 109 -12.745 -5.807 13.142 1.00 0.00 C ATOM 1606 O PRO A 109 -13.669 -5.893 13.951 1.00 0.00 O ATOM 1607 CB PRO A 109 -13.679 -7.884 12.046 1.00 0.00 C ATOM 1608 CG PRO A 109 -12.954 -8.921 12.835 1.00 0.00 C ATOM 1609 CD PRO A 109 -11.536 -8.850 12.332 1.00 0.00 C ATOM 0 HA PRO A 109 -12.867 -6.085 11.075 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -14.594 -7.569 12.548 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -13.967 -8.259 11.064 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -13.007 -8.716 13.904 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -13.382 -9.911 12.678 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.820 -9.089 13.118 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -11.364 -9.555 11.519 1.00 0.00 H new ATOM 1617 N HIS A 110 -11.762 -4.922 13.259 1.00 0.00 N ATOM 1618 CA HIS A 110 -11.659 -4.040 14.417 1.00 0.00 C ATOM 1619 C HIS A 110 -11.286 -2.623 13.999 1.00 0.00 C ATOM 1620 O HIS A 110 -11.559 -1.661 14.717 1.00 0.00 O ATOM 1621 CB HIS A 110 -10.623 -4.573 15.412 1.00 0.00 C ATOM 1622 CG HIS A 110 -10.893 -5.972 15.870 1.00 0.00 C ATOM 1623 ND1 HIS A 110 -11.906 -6.284 16.752 1.00 0.00 N ATOM 1624 CD2 HIS A 110 -10.283 -7.143 15.568 1.00 0.00 C ATOM 1625 CE1 HIS A 110 -11.907 -7.588 16.973 1.00 0.00 C ATOM 1626 NE2 HIS A 110 -10.933 -8.130 16.267 1.00 0.00 N ATOM 0 H HIS A 110 -11.024 -4.796 12.566 1.00 0.00 H new ATOM 0 HA HIS A 110 -12.637 -4.014 14.898 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -9.636 -4.535 14.951 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -10.594 -3.915 16.280 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.443 -7.276 14.902 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -12.589 -8.119 17.621 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -10.700 -9.123 16.244 1.00 0.00 H new ATOM 1633 N LEU A 111 -10.663 -2.501 12.832 1.00 0.00 N ATOM 1634 CA LEU A 111 -10.266 -1.199 12.308 1.00 0.00 C ATOM 1635 C LEU A 111 -11.262 -0.694 11.272 1.00 0.00 C ATOM 1636 O LEU A 111 -11.072 0.368 10.679 1.00 0.00 O ATOM 1637 CB LEU A 111 -8.867 -1.283 11.683 1.00 0.00 C ATOM 1638 CG LEU A 111 -7.753 -1.781 12.612 1.00 0.00 C ATOM 1639 CD1 LEU A 111 -6.450 -1.884 11.831 1.00 0.00 C ATOM 1640 CD2 LEU A 111 -7.610 -0.830 13.791 1.00 0.00 C ATOM 0 H LEU A 111 -10.422 -3.289 12.230 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.250 -0.495 13.140 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -8.915 -1.943 10.817 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.593 -0.294 11.315 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.003 -2.769 12.997 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.658 -2.238 12.490 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.575 -2.585 11.005 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.183 -0.903 11.437 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.818 -1.185 14.451 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.360 0.166 13.427 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -8.550 -0.789 14.342 1.00 0.00 H new ATOM 1652 N ASP A 112 -12.325 -1.463 11.058 1.00 0.00 N ATOM 1653 CA ASP A 112 -13.369 -1.081 10.115 1.00 0.00 C ATOM 1654 C ASP A 112 -14.077 0.191 10.562 1.00 0.00 C ATOM 1655 O ASP A 112 -14.809 0.191 11.551 1.00 0.00 O ATOM 1656 CB ASP A 112 -14.389 -2.211 9.957 1.00 0.00 C ATOM 1657 CG ASP A 112 -13.806 -3.447 9.287 1.00 0.00 C ATOM 1658 OD1 ASP A 112 -12.706 -3.368 8.792 1.00 0.00 O ATOM 1659 OD2 ASP A 112 -14.465 -4.460 9.275 1.00 0.00 O ATOM 0 H ASP A 112 -12.486 -2.355 11.526 1.00 0.00 H new ATOM 0 HA ASP A 112 -12.892 -0.891 9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -14.775 -2.485 10.939 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -15.234 -1.851 9.371 1.00 0.00 H new ATOM 1664 N GLY A 113 -13.855 1.275 9.825 1.00 0.00 N ATOM 1665 CA GLY A 113 -14.413 2.574 10.186 1.00 0.00 C ATOM 1666 C GLY A 113 -13.417 3.399 10.988 1.00 0.00 C ATOM 1667 O GLY A 113 -13.644 4.579 11.253 1.00 0.00 O ATOM 0 H GLY A 113 -13.293 1.280 8.974 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -14.693 3.116 9.283 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -15.324 2.432 10.768 1.00 0.00 H new ATOM 1671 N VAL A 114 -12.309 2.772 11.372 1.00 0.00 N ATOM 1672 CA VAL A 114 -11.258 3.458 12.112 1.00 0.00 C ATOM 1673 C VAL A 114 -10.188 4.002 11.174 1.00 0.00 C ATOM 1674 O VAL A 114 -9.692 5.113 11.361 1.00 0.00 O ATOM 1675 CB VAL A 114 -10.607 2.499 13.128 1.00 0.00 C ATOM 1676 CG1 VAL A 114 -9.463 3.191 13.854 1.00 0.00 C ATOM 1677 CG2 VAL A 114 -11.652 2.003 14.115 1.00 0.00 C ATOM 0 H VAL A 114 -12.117 1.788 11.182 1.00 0.00 H new ATOM 0 HA VAL A 114 -11.716 4.294 12.640 1.00 0.00 H new ATOM 0 HB VAL A 114 -10.198 1.641 12.594 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -9.014 2.500 14.568 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -8.710 3.505 13.131 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -9.844 4.064 14.384 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -11.185 1.326 14.830 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -12.082 2.852 14.647 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -12.439 1.475 13.577 1.00 0.00 H new ATOM 1687 N HIS A 115 -9.837 3.213 10.164 1.00 0.00 N ATOM 1688 CA HIS A 115 -8.866 3.637 9.162 1.00 0.00 C ATOM 1689 C HIS A 115 -9.423 3.477 7.754 1.00 0.00 C ATOM 1690 O HIS A 115 -10.553 3.026 7.570 1.00 0.00 O ATOM 1691 CB HIS A 115 -7.566 2.838 9.297 1.00 0.00 C ATOM 1692 CG HIS A 115 -6.897 2.997 10.628 1.00 0.00 C ATOM 1693 ND1 HIS A 115 -6.416 4.208 11.077 1.00 0.00 N ATOM 1694 CD2 HIS A 115 -6.629 2.099 11.603 1.00 0.00 C ATOM 1695 CE1 HIS A 115 -5.880 4.048 12.275 1.00 0.00 C ATOM 1696 NE2 HIS A 115 -5.996 2.777 12.616 1.00 0.00 N ATOM 0 H HIS A 115 -10.211 2.275 10.018 1.00 0.00 H new ATOM 0 HA HIS A 115 -8.655 4.693 9.334 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.780 1.782 9.132 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.875 3.150 8.514 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.868 1.046 11.588 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -5.425 4.824 12.873 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -5.669 2.366 13.490 1.00 0.00 H new ATOM 1703 N THR A 116 -8.623 3.852 6.761 1.00 0.00 N ATOM 1704 CA THR A 116 -9.070 3.847 5.374 1.00 0.00 C ATOM 1705 C THR A 116 -8.157 2.995 4.502 1.00 0.00 C ATOM 1706 O THR A 116 -7.011 3.363 4.243 1.00 0.00 O ATOM 1707 CB THR A 116 -9.138 5.278 4.808 1.00 0.00 C ATOM 1708 OG1 THR A 116 -10.045 6.063 5.593 1.00 0.00 O ATOM 1709 CG2 THR A 116 -9.610 5.258 3.362 1.00 0.00 C ATOM 0 H THR A 116 -7.661 4.163 6.892 1.00 0.00 H new ATOM 0 HA THR A 116 -10.070 3.414 5.360 1.00 0.00 H new ATOM 0 HB THR A 116 -8.141 5.716 4.847 1.00 0.00 H new ATOM 0 HG1 THR A 116 -10.815 5.514 5.851 1.00 0.00 H new ATOM 0 HG21 THR A 116 -9.652 6.278 2.979 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.915 4.673 2.760 1.00 0.00 H new ATOM 0 HG23 THR A 116 -10.602 4.810 3.309 1.00 0.00 H new ATOM 1717 N VAL A 117 -8.669 1.855 4.055 1.00 0.00 N ATOM 1718 CA VAL A 117 -7.934 0.991 3.138 1.00 0.00 C ATOM 1719 C VAL A 117 -7.766 1.651 1.776 1.00 0.00 C ATOM 1720 O VAL A 117 -8.731 2.139 1.189 1.00 0.00 O ATOM 1721 CB VAL A 117 -8.664 -0.354 2.969 1.00 0.00 C ATOM 1722 CG1 VAL A 117 -7.992 -1.192 1.891 1.00 0.00 C ATOM 1723 CG2 VAL A 117 -8.691 -1.099 4.294 1.00 0.00 C ATOM 0 H VAL A 117 -9.592 1.506 4.313 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.946 0.818 3.565 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.691 -0.163 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.520 -2.139 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -8.017 -0.654 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.956 -1.384 2.172 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.209 -2.049 4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.670 -1.284 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.213 -0.498 5.039 1.00 0.00 H new ATOM 1733 N PHE A 118 -6.534 1.661 1.276 1.00 0.00 N ATOM 1734 CA PHE A 118 -6.234 2.283 -0.008 1.00 0.00 C ATOM 1735 C PHE A 118 -5.474 1.326 -0.918 1.00 0.00 C ATOM 1736 O PHE A 118 -5.320 1.582 -2.113 1.00 0.00 O ATOM 1737 CB PHE A 118 -5.416 3.559 0.196 1.00 0.00 C ATOM 1738 CG PHE A 118 -4.031 3.315 0.724 1.00 0.00 C ATOM 1739 CD1 PHE A 118 -3.791 3.272 2.089 1.00 0.00 C ATOM 1740 CD2 PHE A 118 -2.966 3.125 -0.144 1.00 0.00 C ATOM 1741 CE1 PHE A 118 -2.518 3.048 2.576 1.00 0.00 C ATOM 1742 CE2 PHE A 118 -1.691 2.898 0.340 1.00 0.00 C ATOM 1743 CZ PHE A 118 -1.467 2.861 1.700 1.00 0.00 C ATOM 0 H PHE A 118 -5.727 1.245 1.741 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.181 2.535 -0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -5.344 4.089 -0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.948 4.213 0.887 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.609 3.415 2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -3.135 3.155 -1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -2.345 3.019 3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -0.871 2.750 -0.347 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.471 2.686 2.080 1.00 0.00 H new ATOM 1753 N GLY A 119 -5.001 0.224 -0.347 1.00 0.00 N ATOM 1754 CA GLY A 119 -4.294 -0.794 -1.116 1.00 0.00 C ATOM 1755 C GLY A 119 -4.476 -2.175 -0.500 1.00 0.00 C ATOM 1756 O GLY A 119 -5.200 -2.336 0.483 1.00 0.00 O ATOM 0 H GLY A 119 -5.094 0.012 0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.662 -0.799 -2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.233 -0.549 -1.159 1.00 0.00 H new ATOM 1760 N GLN A 120 -3.817 -3.169 -1.084 1.00 0.00 N ATOM 1761 CA GLN A 120 -3.862 -4.529 -0.562 1.00 0.00 C ATOM 1762 C GLN A 120 -2.668 -5.345 -1.044 1.00 0.00 C ATOM 1763 O GLN A 120 -2.396 -5.414 -2.242 1.00 0.00 O ATOM 1764 CB GLN A 120 -5.165 -5.219 -0.973 1.00 0.00 C ATOM 1765 CG GLN A 120 -5.360 -6.596 -0.361 1.00 0.00 C ATOM 1766 CD GLN A 120 -6.633 -7.268 -0.841 1.00 0.00 C ATOM 1767 OE1 GLN A 120 -7.255 -6.827 -1.812 1.00 0.00 O ATOM 1768 NE2 GLN A 120 -7.027 -8.339 -0.164 1.00 0.00 N ATOM 0 H GLN A 120 -3.244 -3.058 -1.921 1.00 0.00 H new ATOM 0 HA GLN A 120 -3.819 -4.468 0.525 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -6.004 -4.585 -0.688 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -5.188 -5.310 -2.059 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -4.505 -7.225 -0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -5.387 -6.507 0.725 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -6.481 -8.668 0.632 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.875 -8.833 -0.440 1.00 0.00 H new ATOM 1777 N VAL A 121 -1.959 -5.959 -0.102 1.00 0.00 N ATOM 1778 CA VAL A 121 -0.814 -6.799 -0.432 1.00 0.00 C ATOM 1779 C VAL A 121 -1.249 -8.058 -1.171 1.00 0.00 C ATOM 1780 O VAL A 121 -2.196 -8.732 -0.765 1.00 0.00 O ATOM 1781 CB VAL A 121 -0.055 -7.195 0.848 1.00 0.00 C ATOM 1782 CG1 VAL A 121 1.072 -8.164 0.522 1.00 0.00 C ATOM 1783 CG2 VAL A 121 0.487 -5.950 1.534 1.00 0.00 C ATOM 0 H VAL A 121 -2.158 -5.890 0.896 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.157 -6.222 -1.083 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.745 -7.696 1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.597 -8.433 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.658 -9.062 0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.769 -7.692 -0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.023 -6.237 2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.167 -5.430 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.340 -5.290 1.796 1.00 0.00 H new ATOM 1793 N THR A 122 -0.551 -8.371 -2.258 1.00 0.00 N ATOM 1794 CA THR A 122 -0.870 -9.547 -3.059 1.00 0.00 C ATOM 1795 C THR A 122 0.289 -10.536 -3.070 1.00 0.00 C ATOM 1796 O THR A 122 0.101 -11.724 -3.332 1.00 0.00 O ATOM 1797 CB THR A 122 -1.227 -9.152 -4.505 1.00 0.00 C ATOM 1798 OG1 THR A 122 -0.099 -8.515 -5.122 1.00 0.00 O ATOM 1799 CG2 THR A 122 -2.413 -8.200 -4.520 1.00 0.00 C ATOM 0 H THR A 122 0.239 -7.827 -2.604 1.00 0.00 H new ATOM 0 HA THR A 122 -1.735 -10.026 -2.600 1.00 0.00 H new ATOM 0 HB THR A 122 -1.491 -10.054 -5.058 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.327 -8.266 -6.042 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.651 -7.932 -5.549 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.275 -8.686 -4.063 1.00 0.00 H new ATOM 0 HG23 THR A 122 -2.164 -7.300 -3.959 1.00 0.00 H new ATOM 1807 N SER A 123 1.488 -10.038 -2.786 1.00 0.00 N ATOM 1808 CA SER A 123 2.673 -10.885 -2.721 1.00 0.00 C ATOM 1809 C SER A 123 3.669 -10.361 -1.694 1.00 0.00 C ATOM 1810 O SER A 123 3.765 -9.154 -1.468 1.00 0.00 O ATOM 1811 CB SER A 123 3.333 -10.964 -4.083 1.00 0.00 C ATOM 1812 OG SER A 123 4.487 -11.756 -4.038 1.00 0.00 O ATOM 0 H SER A 123 1.665 -9.051 -2.597 1.00 0.00 H new ATOM 0 HA SER A 123 2.357 -11.882 -2.413 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.632 -11.378 -4.807 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.589 -9.961 -4.425 1.00 0.00 H new ATOM 0 HG SER A 123 4.893 -11.793 -4.929 1.00 0.00 H new ATOM 1818 N GLY A 124 4.409 -11.274 -1.076 1.00 0.00 N ATOM 1819 CA GLY A 124 5.387 -10.908 -0.058 1.00 0.00 C ATOM 1820 C GLY A 124 4.779 -10.968 1.338 1.00 0.00 C ATOM 1821 O GLY A 124 5.341 -10.434 2.294 1.00 0.00 O ATOM 0 H GLY A 124 4.350 -12.275 -1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 124 6.243 -11.581 -0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.759 -9.902 -0.252 1.00 0.00 H new ATOM 1825 N MET A 125 3.627 -11.621 1.448 1.00 0.00 N ATOM 1826 CA MET A 125 3.003 -11.860 2.743 1.00 0.00 C ATOM 1827 C MET A 125 3.900 -12.704 3.640 1.00 0.00 C ATOM 1828 O MET A 125 3.846 -12.597 4.865 1.00 0.00 O ATOM 1829 CB MET A 125 1.646 -12.536 2.559 1.00 0.00 C ATOM 1830 CG MET A 125 0.571 -11.638 1.966 1.00 0.00 C ATOM 1831 SD MET A 125 -1.017 -12.477 1.788 1.00 0.00 S ATOM 1832 CE MET A 125 -1.478 -12.696 3.504 1.00 0.00 C ATOM 0 H MET A 125 3.106 -11.994 0.654 1.00 0.00 H new ATOM 0 HA MET A 125 2.854 -10.896 3.230 1.00 0.00 H new ATOM 0 HB2 MET A 125 1.772 -13.406 1.914 1.00 0.00 H new ATOM 0 HB3 MET A 125 1.303 -12.903 3.526 1.00 0.00 H new ATOM 0 HG2 MET A 125 0.445 -10.761 2.601 1.00 0.00 H new ATOM 0 HG3 MET A 125 0.900 -11.280 0.990 1.00 0.00 H new ATOM 0 HE1 MET A 125 -2.487 -13.105 3.560 1.00 0.00 H new ATOM 0 HE2 MET A 125 -0.780 -13.383 3.983 1.00 0.00 H new ATOM 0 HE3 MET A 125 -1.448 -11.733 4.015 1.00 0.00 H new ATOM 1842 N ASP A 126 4.724 -13.544 3.023 1.00 0.00 N ATOM 1843 CA ASP A 126 5.721 -14.315 3.755 1.00 0.00 C ATOM 1844 C ASP A 126 6.728 -13.402 4.443 1.00 0.00 C ATOM 1845 O ASP A 126 7.297 -13.755 5.475 1.00 0.00 O ATOM 1846 CB ASP A 126 6.454 -15.274 2.813 1.00 0.00 C ATOM 1847 CG ASP A 126 5.592 -16.452 2.380 1.00 0.00 C ATOM 1848 OD1 ASP A 126 4.555 -16.652 2.966 1.00 0.00 O ATOM 1849 OD2 ASP A 126 5.980 -17.142 1.466 1.00 0.00 O ATOM 0 H ASP A 126 4.721 -13.708 2.016 1.00 0.00 H new ATOM 0 HA ASP A 126 5.198 -14.891 4.519 1.00 0.00 H new ATOM 0 HB2 ASP A 126 6.783 -14.727 1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 126 7.350 -15.648 3.308 1.00 0.00 H new ATOM 1854 N VAL A 127 6.944 -12.225 3.864 1.00 0.00 N ATOM 1855 CA VAL A 127 7.823 -11.228 4.462 1.00 0.00 C ATOM 1856 C VAL A 127 7.111 -10.455 5.564 1.00 0.00 C ATOM 1857 O VAL A 127 7.678 -10.204 6.627 1.00 0.00 O ATOM 1858 CB VAL A 127 8.321 -10.242 3.387 1.00 0.00 C ATOM 1859 CG1 VAL A 127 9.150 -9.135 4.023 1.00 0.00 C ATOM 1860 CG2 VAL A 127 9.132 -10.987 2.338 1.00 0.00 C ATOM 0 H VAL A 127 6.522 -11.939 2.981 1.00 0.00 H new ATOM 0 HA VAL A 127 8.672 -11.754 4.898 1.00 0.00 H new ATOM 0 HB VAL A 127 7.460 -9.783 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.494 -8.448 3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.540 -8.593 4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 127 10.011 -9.571 4.530 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.481 -10.284 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.989 -11.465 2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.508 -11.747 1.867 1.00 0.00 H new ATOM 1870 N VAL A 128 5.864 -10.077 5.304 1.00 0.00 N ATOM 1871 CA VAL A 128 5.061 -9.356 6.284 1.00 0.00 C ATOM 1872 C VAL A 128 4.969 -10.126 7.595 1.00 0.00 C ATOM 1873 O VAL A 128 5.163 -9.562 8.671 1.00 0.00 O ATOM 1874 CB VAL A 128 3.642 -9.109 5.736 1.00 0.00 C ATOM 1875 CG1 VAL A 128 2.746 -8.532 6.821 1.00 0.00 C ATOM 1876 CG2 VAL A 128 3.706 -8.178 4.535 1.00 0.00 C ATOM 0 H VAL A 128 5.387 -10.259 4.421 1.00 0.00 H new ATOM 0 HA VAL A 128 5.550 -8.401 6.474 1.00 0.00 H new ATOM 0 HB VAL A 128 3.215 -10.059 5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.748 -8.364 6.417 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.687 -9.232 7.654 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.160 -7.586 7.170 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.700 -8.008 4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.146 -7.227 4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.318 -8.631 3.755 1.00 0.00 H new ATOM 1886 N ARG A 129 4.672 -11.417 7.497 1.00 0.00 N ATOM 1887 CA ARG A 129 4.511 -12.258 8.678 1.00 0.00 C ATOM 1888 C ARG A 129 5.841 -12.466 9.391 1.00 0.00 C ATOM 1889 O ARG A 129 5.882 -12.973 10.512 1.00 0.00 O ATOM 1890 CB ARG A 129 3.926 -13.610 8.296 1.00 0.00 C ATOM 1891 CG ARG A 129 4.833 -14.481 7.441 1.00 0.00 C ATOM 1892 CD ARG A 129 4.142 -15.714 6.988 1.00 0.00 C ATOM 1893 NE ARG A 129 3.015 -15.416 6.118 1.00 0.00 N ATOM 1894 CZ ARG A 129 2.362 -16.329 5.372 1.00 0.00 C ATOM 1895 NH1 ARG A 129 2.734 -17.589 5.401 1.00 0.00 N ATOM 1896 NH2 ARG A 129 1.347 -15.956 4.612 1.00 0.00 N ATOM 0 H ARG A 129 4.538 -11.905 6.611 1.00 0.00 H new ATOM 0 HA ARG A 129 3.827 -11.746 9.355 1.00 0.00 H new ATOM 0 HB2 ARG A 129 3.679 -14.153 9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.992 -13.447 7.759 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.171 -13.914 6.574 1.00 0.00 H new ATOM 0 HG3 ARG A 129 5.722 -14.751 8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 129 4.849 -16.353 6.460 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.793 -16.274 7.856 1.00 0.00 H new ATOM 0 HE ARG A 129 2.697 -14.448 6.069 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.517 -17.876 5.988 1.00 0.00 H new ATOM 0 HH12 ARG A 129 2.240 -18.280 4.836 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.059 -14.978 4.590 1.00 0.00 H new ATOM 0 HH22 ARG A 129 0.852 -16.646 4.047 1.00 0.00 H new ATOM 1910 N THR A 130 6.926 -12.072 8.734 1.00 0.00 N ATOM 1911 CA THR A 130 8.252 -12.136 9.338 1.00 0.00 C ATOM 1912 C THR A 130 8.876 -10.751 9.444 1.00 0.00 C ATOM 1913 O THR A 130 10.092 -10.616 9.583 1.00 0.00 O ATOM 1914 CB THR A 130 9.183 -13.062 8.534 1.00 0.00 C ATOM 1915 OG1 THR A 130 9.278 -12.593 7.183 1.00 0.00 O ATOM 1916 CG2 THR A 130 8.651 -14.486 8.537 1.00 0.00 C ATOM 0 H THR A 130 6.914 -11.705 7.783 1.00 0.00 H new ATOM 0 HA THR A 130 8.130 -12.544 10.342 1.00 0.00 H new ATOM 0 HB THR A 130 10.169 -13.053 8.998 1.00 0.00 H new ATOM 0 HG1 THR A 130 8.593 -13.031 6.636 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.322 -15.126 7.964 1.00 0.00 H new ATOM 0 HG22 THR A 130 8.590 -14.850 9.563 1.00 0.00 H new ATOM 0 HG23 THR A 130 7.659 -14.505 8.086 1.00 0.00 H new ATOM 1924 N MET A 131 8.036 -9.722 9.380 1.00 0.00 N ATOM 1925 CA MET A 131 8.508 -8.343 9.441 1.00 0.00 C ATOM 1926 C MET A 131 9.283 -8.083 10.725 1.00 0.00 C ATOM 1927 O MET A 131 8.841 -8.449 11.815 1.00 0.00 O ATOM 1928 CB MET A 131 7.330 -7.378 9.325 1.00 0.00 C ATOM 1929 CG MET A 131 7.726 -5.917 9.171 1.00 0.00 C ATOM 1930 SD MET A 131 6.300 -4.818 9.046 1.00 0.00 S ATOM 1931 CE MET A 131 5.598 -5.352 7.489 1.00 0.00 C ATOM 0 H MET A 131 7.025 -9.817 9.286 1.00 0.00 H new ATOM 0 HA MET A 131 9.185 -8.178 8.603 1.00 0.00 H new ATOM 0 HB2 MET A 131 6.721 -7.669 8.469 1.00 0.00 H new ATOM 0 HB3 MET A 131 6.704 -7.480 10.211 1.00 0.00 H new ATOM 0 HG2 MET A 131 8.336 -5.618 10.024 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.345 -5.805 8.281 1.00 0.00 H new ATOM 0 HE1 MET A 131 5.464 -4.490 6.835 1.00 0.00 H new ATOM 0 HE2 MET A 131 6.269 -6.067 7.014 1.00 0.00 H new ATOM 0 HE3 MET A 131 4.632 -5.824 7.668 1.00 0.00 H new ATOM 1941 N LYS A 132 10.444 -7.449 10.592 1.00 0.00 N ATOM 1942 CA LYS A 132 11.288 -7.144 11.742 1.00 0.00 C ATOM 1943 C LYS A 132 10.789 -5.906 12.476 1.00 0.00 C ATOM 1944 O LYS A 132 10.134 -5.045 11.889 1.00 0.00 O ATOM 1945 CB LYS A 132 12.740 -6.946 11.303 1.00 0.00 C ATOM 1946 CG LYS A 132 13.417 -8.208 10.787 1.00 0.00 C ATOM 1947 CD LYS A 132 14.858 -7.934 10.381 1.00 0.00 C ATOM 1948 CE LYS A 132 15.555 -9.206 9.918 1.00 0.00 C ATOM 1949 NZ LYS A 132 16.966 -8.954 9.519 1.00 0.00 N ATOM 0 H LYS A 132 10.822 -7.136 9.698 1.00 0.00 H new ATOM 0 HA LYS A 132 11.238 -7.990 12.427 1.00 0.00 H new ATOM 0 HB2 LYS A 132 12.771 -6.186 10.522 1.00 0.00 H new ATOM 0 HB3 LYS A 132 13.313 -6.560 12.146 1.00 0.00 H new ATOM 0 HG2 LYS A 132 13.394 -8.977 11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 132 12.864 -8.597 9.932 1.00 0.00 H new ATOM 0 HD2 LYS A 132 14.878 -7.194 9.581 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.400 -7.506 11.224 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.531 -9.945 10.719 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.010 -9.632 9.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 17.404 -9.845 9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 16.989 -8.268 8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 17.493 -8.572 10.330 1.00 0.00 H new ATOM 1963 N ASN A 133 11.103 -5.823 13.764 1.00 0.00 N ATOM 1964 CA ASN A 133 10.784 -4.641 14.557 1.00 0.00 C ATOM 1965 C ASN A 133 11.590 -3.434 14.094 1.00 0.00 C ATOM 1966 O ASN A 133 12.796 -3.354 14.327 1.00 0.00 O ATOM 1967 CB ASN A 133 11.020 -4.908 16.032 1.00 0.00 C ATOM 1968 CG ASN A 133 10.532 -3.786 16.907 1.00 0.00 C ATOM 1969 OD1 ASN A 133 10.453 -2.632 16.471 1.00 0.00 O ATOM 1970 ND2 ASN A 133 10.203 -4.103 18.133 1.00 0.00 N ATOM 0 H ASN A 133 11.579 -6.561 14.282 1.00 0.00 H new ATOM 0 HA ASN A 133 9.728 -4.414 14.411 1.00 0.00 H new ATOM 0 HB2 ASN A 133 10.515 -5.831 16.316 1.00 0.00 H new ATOM 0 HB3 ASN A 133 12.085 -5.061 16.204 1.00 0.00 H new ATOM 0 HD21 ASN A 133 9.865 -3.384 18.772 1.00 0.00 H new ATOM 0 HD22 ASN A 133 10.285 -5.069 18.449 1.00 0.00 H new ATOM 1977 N GLY A 134 10.916 -2.496 13.438 1.00 0.00 N ATOM 1978 CA GLY A 134 11.593 -1.376 12.793 1.00 0.00 C ATOM 1979 C GLY A 134 12.247 -1.807 11.487 1.00 0.00 C ATOM 1980 O GLY A 134 13.276 -1.260 11.088 1.00 0.00 O ATOM 0 H GLY A 134 9.901 -2.489 13.339 1.00 0.00 H new ATOM 0 HA2 GLY A 134 10.877 -0.578 12.598 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.349 -0.969 13.464 1.00 0.00 H new ATOM 1984 N ASP A 135 11.645 -2.789 10.825 1.00 0.00 N ATOM 1985 CA ASP A 135 12.161 -3.285 9.554 1.00 0.00 C ATOM 1986 C ASP A 135 12.432 -2.141 8.587 1.00 0.00 C ATOM 1987 O ASP A 135 11.525 -1.389 8.229 1.00 0.00 O ATOM 1988 CB ASP A 135 11.175 -4.273 8.925 1.00 0.00 C ATOM 1989 CG ASP A 135 11.831 -5.195 7.906 1.00 0.00 C ATOM 1990 OD1 ASP A 135 12.462 -4.699 7.004 1.00 0.00 O ATOM 1991 OD2 ASP A 135 11.695 -6.388 8.041 1.00 0.00 O ATOM 0 H ASP A 135 10.798 -3.258 11.148 1.00 0.00 H new ATOM 0 HA ASP A 135 13.102 -3.797 9.755 1.00 0.00 H new ATOM 0 HB2 ASP A 135 10.719 -4.874 9.712 1.00 0.00 H new ATOM 0 HB3 ASP A 135 10.371 -3.718 8.441 1.00 0.00 H new ATOM 1996 N VAL A 136 13.686 -2.015 8.163 1.00 0.00 N ATOM 1997 CA VAL A 136 14.106 -0.891 7.336 1.00 0.00 C ATOM 1998 C VAL A 136 13.667 -1.079 5.889 1.00 0.00 C ATOM 1999 O VAL A 136 14.011 -2.073 5.251 1.00 0.00 O ATOM 2000 CB VAL A 136 15.636 -0.729 7.390 1.00 0.00 C ATOM 2001 CG1 VAL A 136 16.080 0.432 6.513 1.00 0.00 C ATOM 2002 CG2 VAL A 136 16.084 -0.522 8.828 1.00 0.00 C ATOM 0 H VAL A 136 14.429 -2.679 8.380 1.00 0.00 H new ATOM 0 HA VAL A 136 13.631 0.007 7.731 1.00 0.00 H new ATOM 0 HB VAL A 136 16.102 -1.637 7.008 1.00 0.00 H new ATOM 0 HG11 VAL A 136 17.164 0.532 6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.780 0.245 5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 136 15.614 1.353 6.865 1.00 0.00 H new ATOM 0 HG21 VAL A 136 17.168 -0.408 8.859 1.00 0.00 H new ATOM 0 HG22 VAL A 136 15.613 0.375 9.230 1.00 0.00 H new ATOM 0 HG23 VAL A 136 15.793 -1.384 9.428 1.00 0.00 H new ATOM 2012 N MET A 137 12.908 -0.116 5.376 1.00 0.00 N ATOM 2013 CA MET A 137 12.462 -0.149 3.989 1.00 0.00 C ATOM 2014 C MET A 137 13.510 0.453 3.059 1.00 0.00 C ATOM 2015 O MET A 137 13.787 1.650 3.114 1.00 0.00 O ATOM 2016 CB MET A 137 11.133 0.590 3.843 1.00 0.00 C ATOM 2017 CG MET A 137 9.958 -0.088 4.534 1.00 0.00 C ATOM 2018 SD MET A 137 8.415 0.826 4.336 1.00 0.00 S ATOM 2019 CE MET A 137 8.596 2.076 5.606 1.00 0.00 C ATOM 0 H MET A 137 12.589 0.698 5.902 1.00 0.00 H new ATOM 0 HA MET A 137 12.319 -1.191 3.704 1.00 0.00 H new ATOM 0 HB2 MET A 137 11.245 1.597 4.246 1.00 0.00 H new ATOM 0 HB3 MET A 137 10.904 0.695 2.783 1.00 0.00 H new ATOM 0 HG2 MET A 137 9.835 -1.093 4.131 1.00 0.00 H new ATOM 0 HG3 MET A 137 10.179 -0.195 5.596 1.00 0.00 H new ATOM 0 HE1 MET A 137 7.743 2.754 5.574 1.00 0.00 H new ATOM 0 HE2 MET A 137 8.642 1.597 6.584 1.00 0.00 H new ATOM 0 HE3 MET A 137 9.513 2.639 5.434 1.00 0.00 H new ATOM 2029 N LYS A 138 14.089 -0.386 2.207 1.00 0.00 N ATOM 2030 CA LYS A 138 15.237 0.012 1.402 1.00 0.00 C ATOM 2031 C LYS A 138 14.808 0.861 0.213 1.00 0.00 C ATOM 2032 O LYS A 138 15.466 1.845 -0.129 1.00 0.00 O ATOM 2033 CB LYS A 138 16.005 -1.219 0.920 1.00 0.00 C ATOM 2034 CG LYS A 138 17.237 -0.904 0.081 1.00 0.00 C ATOM 2035 CD LYS A 138 18.023 -2.166 -0.242 1.00 0.00 C ATOM 2036 CE LYS A 138 19.261 -1.851 -1.068 1.00 0.00 C ATOM 2037 NZ LYS A 138 20.040 -3.077 -1.394 1.00 0.00 N ATOM 0 H LYS A 138 13.781 -1.347 2.056 1.00 0.00 H new ATOM 0 HA LYS A 138 15.893 0.614 2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 138 16.311 -1.804 1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 138 15.332 -1.846 0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 138 16.934 -0.415 -0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 138 17.876 -0.203 0.618 1.00 0.00 H new ATOM 0 HD2 LYS A 138 18.317 -2.660 0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 138 17.387 -2.863 -0.788 1.00 0.00 H new ATOM 0 HE2 LYS A 138 18.964 -1.354 -1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 138 19.895 -1.154 -0.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 20.875 -2.818 -1.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 20.346 -3.538 -0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 19.444 -3.732 -1.939 1.00 0.00 H new ATOM 2051 N GLU A 139 13.703 0.477 -0.415 1.00 0.00 N ATOM 2052 CA GLU A 139 13.201 1.185 -1.586 1.00 0.00 C ATOM 2053 C GLU A 139 11.690 1.039 -1.713 1.00 0.00 C ATOM 2054 O GLU A 139 11.185 -0.042 -2.021 1.00 0.00 O ATOM 2055 CB GLU A 139 13.881 0.667 -2.855 1.00 0.00 C ATOM 2056 CG GLU A 139 13.408 1.334 -4.139 1.00 0.00 C ATOM 2057 CD GLU A 139 14.166 0.872 -5.352 1.00 0.00 C ATOM 2058 OE1 GLU A 139 15.091 0.110 -5.198 1.00 0.00 O ATOM 2059 OE2 GLU A 139 13.819 1.280 -6.436 1.00 0.00 O ATOM 0 H GLU A 139 13.137 -0.323 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 139 13.434 2.242 -1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 139 14.957 0.811 -2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 139 13.709 -0.406 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 139 12.347 1.128 -4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 139 13.513 2.415 -4.041 1.00 0.00 H new ATOM 2066 N VAL A 140 10.973 2.131 -1.473 1.00 0.00 N ATOM 2067 CA VAL A 140 9.527 2.155 -1.660 1.00 0.00 C ATOM 2068 C VAL A 140 9.140 3.015 -2.856 1.00 0.00 C ATOM 2069 O VAL A 140 9.582 4.157 -2.980 1.00 0.00 O ATOM 2070 CB VAL A 140 8.833 2.697 -0.396 1.00 0.00 C ATOM 2071 CG1 VAL A 140 7.323 2.702 -0.578 1.00 0.00 C ATOM 2072 CG2 VAL A 140 9.228 1.859 0.811 1.00 0.00 C ATOM 0 H VAL A 140 11.370 3.013 -1.148 1.00 0.00 H new ATOM 0 HA VAL A 140 9.201 1.132 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 140 9.156 3.724 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 140 6.849 3.088 0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 140 7.061 3.336 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.976 1.686 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 140 8.734 2.248 1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 140 8.925 0.824 0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 140 10.309 1.904 0.947 1.00 0.00 H new ATOM 2082 N LYS A 141 8.313 2.460 -3.735 1.00 0.00 N ATOM 2083 CA LYS A 141 7.923 3.147 -4.961 1.00 0.00 C ATOM 2084 C LYS A 141 6.508 2.770 -5.377 1.00 0.00 C ATOM 2085 O LYS A 141 5.981 1.737 -4.961 1.00 0.00 O ATOM 2086 CB LYS A 141 8.906 2.828 -6.090 1.00 0.00 C ATOM 2087 CG LYS A 141 8.932 1.364 -6.505 1.00 0.00 C ATOM 2088 CD LYS A 141 9.937 1.124 -7.622 1.00 0.00 C ATOM 2089 CE LYS A 141 9.956 -0.337 -8.048 1.00 0.00 C ATOM 2090 NZ LYS A 141 10.874 -0.570 -9.195 1.00 0.00 N ATOM 0 H LYS A 141 7.899 1.535 -3.621 1.00 0.00 H new ATOM 0 HA LYS A 141 7.946 4.219 -4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 141 8.652 3.435 -6.959 1.00 0.00 H new ATOM 0 HB3 LYS A 141 9.908 3.122 -5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 141 9.186 0.744 -5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 141 7.939 1.060 -6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 141 9.688 1.751 -8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 141 10.932 1.420 -7.288 1.00 0.00 H new ATOM 0 HE2 LYS A 141 10.264 -0.957 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 141 8.948 -0.648 -8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 10.858 -1.577 -9.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 10.566 0.001 -10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 11.841 -0.297 -8.927 1.00 0.00 H new ATOM 2104 N VAL A 142 5.894 3.613 -6.200 1.00 0.00 N ATOM 2105 CA VAL A 142 4.577 3.323 -6.753 1.00 0.00 C ATOM 2106 C VAL A 142 4.560 3.509 -8.265 1.00 0.00 C ATOM 2107 O VAL A 142 5.155 4.449 -8.790 1.00 0.00 O ATOM 2108 CB VAL A 142 3.515 4.238 -6.115 1.00 0.00 C ATOM 2109 CG1 VAL A 142 2.175 4.067 -6.814 1.00 0.00 C ATOM 2110 CG2 VAL A 142 3.392 3.932 -4.630 1.00 0.00 C ATOM 0 H VAL A 142 6.289 4.505 -6.499 1.00 0.00 H new ATOM 0 HA VAL A 142 4.346 2.282 -6.527 1.00 0.00 H new ATOM 0 HB VAL A 142 3.826 5.276 -6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.437 4.721 -6.350 1.00 0.00 H new ATOM 0 HG12 VAL A 142 2.279 4.326 -7.868 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.848 3.031 -6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.639 4.583 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.097 2.891 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.352 4.102 -4.143 1.00 0.00 H new ATOM 2120 N PHE A 143 3.876 2.606 -8.960 1.00 0.00 N ATOM 2121 CA PHE A 143 3.901 2.581 -10.417 1.00 0.00 C ATOM 2122 C PHE A 143 2.537 2.207 -10.984 1.00 0.00 C ATOM 2123 O PHE A 143 1.625 1.840 -10.244 1.00 0.00 O ATOM 2124 CB PHE A 143 4.955 1.593 -10.918 1.00 0.00 C ATOM 2125 CG PHE A 143 4.756 0.190 -10.421 1.00 0.00 C ATOM 2126 CD1 PHE A 143 5.261 -0.205 -9.192 1.00 0.00 C ATOM 2127 CD2 PHE A 143 4.061 -0.738 -11.182 1.00 0.00 C ATOM 2128 CE1 PHE A 143 5.079 -1.496 -8.734 1.00 0.00 C ATOM 2129 CE2 PHE A 143 3.876 -2.030 -10.726 1.00 0.00 C ATOM 2130 CZ PHE A 143 4.384 -2.409 -9.503 1.00 0.00 C ATOM 0 H PHE A 143 3.297 1.881 -8.536 1.00 0.00 H new ATOM 0 HA PHE A 143 4.157 3.583 -10.761 1.00 0.00 H new ATOM 0 HB2 PHE A 143 4.945 1.587 -12.008 1.00 0.00 H new ATOM 0 HB3 PHE A 143 5.941 1.941 -10.610 1.00 0.00 H new ATOM 0 HD1 PHE A 143 5.803 0.505 -8.585 1.00 0.00 H new ATOM 0 HD2 PHE A 143 3.660 -0.448 -12.142 1.00 0.00 H new ATOM 0 HE1 PHE A 143 5.480 -1.791 -7.775 1.00 0.00 H new ATOM 0 HE2 PHE A 143 3.333 -2.743 -11.329 1.00 0.00 H new ATOM 0 HZ PHE A 143 4.239 -3.418 -9.146 1.00 0.00 H new ATOM 2140 N ASP A 144 2.405 2.303 -12.303 1.00 0.00 N ATOM 2141 CA ASP A 144 1.151 1.978 -12.973 1.00 0.00 C ATOM 2142 C ASP A 144 1.316 0.783 -13.903 1.00 0.00 C ATOM 2143 O ASP A 144 2.169 0.790 -14.791 1.00 0.00 O ATOM 2144 CB ASP A 144 0.638 3.183 -13.765 1.00 0.00 C ATOM 2145 CG ASP A 144 -0.739 2.950 -14.371 1.00 0.00 C ATOM 2146 OD1 ASP A 144 -1.255 1.867 -14.229 1.00 0.00 O ATOM 2147 OD2 ASP A 144 -1.263 3.859 -14.970 1.00 0.00 O ATOM 0 H ASP A 144 3.152 2.603 -12.929 1.00 0.00 H new ATOM 0 HA ASP A 144 0.423 1.719 -12.204 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.598 4.053 -13.109 1.00 0.00 H new ATOM 0 HB3 ASP A 144 1.345 3.416 -14.561 1.00 0.00 H new ATOM 2152 N GLU A 145 0.497 -0.242 -13.694 1.00 0.00 N ATOM 2153 CA GLU A 145 0.640 -1.498 -14.421 1.00 0.00 C ATOM 2154 C GLU A 145 -0.701 -1.975 -14.963 1.00 0.00 C ATOM 2155 O GLU A 145 -1.693 -2.024 -14.236 1.00 0.00 O ATOM 2156 CB GLU A 145 1.247 -2.571 -13.514 1.00 0.00 C ATOM 2157 CG GLU A 145 1.473 -3.914 -14.196 1.00 0.00 C ATOM 2158 CD GLU A 145 2.118 -4.927 -13.292 1.00 0.00 C ATOM 2159 OE1 GLU A 145 3.236 -4.710 -12.890 1.00 0.00 O ATOM 2160 OE2 GLU A 145 1.491 -5.919 -13.001 1.00 0.00 O ATOM 0 H GLU A 145 -0.274 -0.228 -13.026 1.00 0.00 H new ATOM 0 HA GLU A 145 1.308 -1.323 -15.265 1.00 0.00 H new ATOM 0 HB2 GLU A 145 2.200 -2.208 -13.128 1.00 0.00 H new ATOM 0 HB3 GLU A 145 0.591 -2.718 -12.656 1.00 0.00 H new ATOM 0 HG2 GLU A 145 0.517 -4.303 -14.546 1.00 0.00 H new ATOM 0 HG3 GLU A 145 2.100 -3.768 -15.076 1.00 0.00 H new ATOM 2167 N PRO A 146 -0.723 -2.328 -16.243 1.00 0.00 N ATOM 2168 CA PRO A 146 -1.936 -2.829 -16.880 1.00 0.00 C ATOM 2169 C PRO A 146 -2.254 -4.246 -16.421 1.00 0.00 C ATOM 2170 O PRO A 146 -3.120 -4.440 -15.958 1.00 0.00 O ATOM 2171 CB PRO A 146 -1.588 -2.783 -18.371 1.00 0.00 C ATOM 2172 CG PRO A 146 -0.110 -2.976 -18.407 1.00 0.00 C ATOM 2173 CD PRO A 146 0.396 -2.225 -17.205 1.00 0.00 C ATOM 2174 OXT PRO A 146 -1.466 -5.130 -16.615 1.00 0.00 O ATOM 0 HA PRO A 146 -2.824 -2.247 -16.634 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -2.106 -3.566 -18.925 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -1.877 -1.832 -18.818 1.00 0.00 H new ATOM 0 HG2 PRO A 146 0.154 -4.032 -18.355 1.00 0.00 H new ATOM 0 HG3 PRO A 146 0.319 -2.585 -19.329 1.00 0.00 H new ATOM 0 HD2 PRO A 146 1.309 -2.669 -16.809 1.00 0.00 H new ATOM 0 HD3 PRO A 146 0.625 -1.187 -17.446 1.00 0.00 H new TER 2182 PRO A 146