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 91 HIS : no HD1:sc= -0.141 K(o=-0.13,f=-9.3!) USER MOD Set 1.2: A 116 THR OG1 : rot 180:sc= 0.00811 USER MOD Set 2.1: A 98 SER OG : rot 174:sc= 0.984 USER MOD Set 2.2: A 100 GLN : amide:sc= 1.6 K(o=2.6,f=-0.11) USER MOD Set 3.1: A 82 HIS : no HE2:sc= 1.52 K(o=2.6,f=-6.2!) USER MOD Set 3.2: A 88 SER OG : rot 163:sc= 1.12 USER MOD Set 4.1: A 46 HIS : no HD1:sc= 0.325 K(o=2,f=-4.9) USER MOD Set 4.2: A 55 GLN : amide:sc= 0.32 K(o=2,f=1.1) USER MOD Set 4.3: A 58 CYS SG : rot 105:sc= 1.32 USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.123) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.0461 (180deg=-0.0296) USER MOD Single : A 3 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.17) USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 0.87 (180deg=0.835) USER MOD Single : A 6 TYR OH : rot 150:sc= -0.244 USER MOD Single : A 9 MET CE :methyl -176:sc= -0.144 (180deg=-0.182) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0662 K(o=-0.066,f=-1.5!) USER MOD Single : A 27 THR OG1 : rot -130:sc= 0.287 USER MOD Single : A 30 ASN : amide:sc= -0.396 K(o=-0.4,f=-1.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 1.48 K(o=1.5,f=-4.9!) USER MOD Single : A 40 TYR OH : rot 13:sc= 0.909 USER MOD Single : A 41 ASN : amide:sc= -1.56! C(o=-1.6!,f=-8!) USER MOD Single : A 44 THR OG1 : rot -47:sc= 0.128 USER MOD Single : A 54 SER OG : rot -168:sc= -0.0292 USER MOD Single : A 62 ASN : amide:sc= 0.534 K(o=0.53,f=-8.7!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 3:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.61) USER MOD Single : A 78 ASN : amide:sc= -0.456 K(o=-0.46,f=-1.4!) USER MOD Single : A 80 HIS : no HE2:sc= -0.539 K(o=-0.54,f=-2.3) USER MOD Single : A 84 THR OG1 : rot -70:sc= 0.522 USER MOD Single : A 87 MET CE :methyl -116:sc= -0.165 (180deg=-0.889) USER MOD Single : A 89 MET CE :methyl 170:sc= 0 (180deg=-0.0709) USER MOD Single : A 96 THR OG1 : rot 80:sc= 0.0765 USER MOD Single : A 99 CYS SG : rot 180:sc= -0.667 USER MOD Single : A 105 HIS : no HE2:sc= -0.22 K(o=-0.22,f=-1.9!) USER MOD Single : A 108 GLN : amide:sc= -0.0725 X(o=-0.073,f=-0.52) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.225 K(o=-0.23,f=-6.3!) USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-0.89) 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 125 MET CE :methyl -171:sc= 0 (180deg=-0.0428) USER MOD Single : A 130 THR OG1 : rot -76:sc= 0.965 USER MOD Single : A 131 MET CE :methyl 175:sc= -1.35 (180deg=-1.39) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.937 K(o=-0.94,f=-5.1!) USER MOD Single : A 137 MET CE :methyl -116:sc= -0.11 (180deg=-0.411) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ -179:sc= 0.879 (180deg=0.878) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.285 3.398 -16.316 1.00 0.00 N ATOM 2 CA MET A 1 -3.639 2.137 -15.973 1.00 0.00 C ATOM 3 C MET A 1 -3.819 1.810 -14.496 1.00 0.00 C ATOM 4 O MET A 1 -4.037 2.701 -13.675 1.00 0.00 O ATOM 5 CB MET A 1 -2.155 2.190 -16.330 1.00 0.00 C ATOM 6 CG MET A 1 -1.869 2.255 -17.824 1.00 0.00 C ATOM 7 SD MET A 1 -0.105 2.185 -18.197 1.00 0.00 S ATOM 8 CE MET A 1 0.422 3.802 -17.640 1.00 0.00 C ATOM 0 H1 MET A 1 -5.044 3.223 -17.005 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.688 3.826 -15.458 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.584 4.046 -16.730 1.00 0.00 H new ATOM 0 HA MET A 1 -4.114 1.345 -16.552 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.709 3.061 -15.849 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.663 1.310 -15.916 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.375 1.429 -18.323 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.286 3.176 -18.230 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.453 3.974 -17.948 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.220 4.565 -18.079 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.354 3.852 -16.553 1.00 0.00 H new ATOM 18 N ALA A 2 -3.727 0.527 -14.165 1.00 0.00 N ATOM 19 CA ALA A 2 -3.856 0.082 -12.782 1.00 0.00 C ATOM 20 C ALA A 2 -2.705 0.596 -11.928 1.00 0.00 C ATOM 21 O ALA A 2 -1.593 0.789 -12.420 1.00 0.00 O ATOM 22 CB ALA A 2 -3.924 -1.438 -12.718 1.00 0.00 C ATOM 0 H ALA A 2 -3.563 -0.224 -14.836 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.783 0.494 -12.382 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.020 -1.754 -11.679 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.787 -1.788 -13.285 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.014 -1.861 -13.143 1.00 0.00 H new ATOM 28 N LYS A 3 -2.978 0.815 -10.646 1.00 0.00 N ATOM 29 CA LYS A 3 -1.963 1.300 -9.719 1.00 0.00 C ATOM 30 C LYS A 3 -1.391 0.161 -8.884 1.00 0.00 C ATOM 31 O LYS A 3 -2.130 -0.577 -8.233 1.00 0.00 O ATOM 32 CB LYS A 3 -2.543 2.381 -8.805 1.00 0.00 C ATOM 33 CG LYS A 3 -2.997 3.640 -9.532 1.00 0.00 C ATOM 34 CD LYS A 3 -3.325 4.755 -8.550 1.00 0.00 C ATOM 35 CE LYS A 3 -3.669 6.048 -9.275 1.00 0.00 C ATOM 36 NZ LYS A 3 -2.483 6.639 -9.951 1.00 0.00 N ATOM 0 H LYS A 3 -3.895 0.664 -10.225 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.154 1.732 -10.308 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.391 1.964 -8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.792 2.655 -8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.214 3.971 -10.214 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.875 3.416 -10.139 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.163 4.454 -7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.475 4.922 -7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.448 5.854 -10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.076 6.766 -8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.744 7.552 -10.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.724 6.785 -9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.150 5.994 -10.696 1.00 0.00 H new ATOM 50 N LYS A 4 -0.069 0.022 -8.909 1.00 0.00 N ATOM 51 CA LYS A 4 0.607 -1.017 -8.140 1.00 0.00 C ATOM 52 C LYS A 4 1.847 -0.471 -7.447 1.00 0.00 C ATOM 53 O LYS A 4 2.684 0.179 -8.073 1.00 0.00 O ATOM 54 CB LYS A 4 0.983 -2.192 -9.044 1.00 0.00 C ATOM 55 CG LYS A 4 1.601 -3.376 -8.311 1.00 0.00 C ATOM 56 CD LYS A 4 1.955 -4.499 -9.275 1.00 0.00 C ATOM 57 CE LYS A 4 2.745 -5.597 -8.580 1.00 0.00 C ATOM 58 NZ LYS A 4 3.069 -6.719 -9.503 1.00 0.00 N ATOM 0 H LYS A 4 0.556 0.616 -9.454 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.084 -1.367 -7.373 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.090 -2.531 -9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.685 -1.842 -9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.497 -3.052 -7.782 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.904 -3.745 -7.559 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.042 -4.918 -9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.538 -4.099 -10.105 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.668 -5.180 -8.177 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.171 -5.977 -7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.706 -7.388 -9.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.193 -7.209 -9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.535 -6.345 -10.354 1.00 0.00 H new ATOM 72 N GLY A 5 1.960 -0.737 -6.150 1.00 0.00 N ATOM 73 CA GLY A 5 3.076 -0.233 -5.359 1.00 0.00 C ATOM 74 C GLY A 5 4.046 -1.350 -5.000 1.00 0.00 C ATOM 75 O GLY A 5 3.687 -2.528 -5.019 1.00 0.00 O ATOM 0 H GLY A 5 1.291 -1.300 -5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.601 0.542 -5.918 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.699 0.231 -4.448 1.00 0.00 H new ATOM 79 N TYR A 6 5.278 -0.975 -4.672 1.00 0.00 N ATOM 80 CA TYR A 6 6.312 -1.946 -4.335 1.00 0.00 C ATOM 81 C TYR A 6 7.173 -1.456 -3.178 1.00 0.00 C ATOM 82 O TYR A 6 7.690 -0.340 -3.207 1.00 0.00 O ATOM 83 CB TYR A 6 7.184 -2.246 -5.557 1.00 0.00 C ATOM 84 CG TYR A 6 8.376 -3.127 -5.255 1.00 0.00 C ATOM 85 CD1 TYR A 6 8.185 -4.453 -4.897 1.00 0.00 C ATOM 86 CD2 TYR A 6 9.660 -2.608 -5.335 1.00 0.00 C ATOM 87 CE1 TYR A 6 9.274 -5.258 -4.621 1.00 0.00 C ATOM 88 CE2 TYR A 6 10.748 -3.412 -5.059 1.00 0.00 C ATOM 89 CZ TYR A 6 10.558 -4.732 -4.704 1.00 0.00 C ATOM 90 OH TYR A 6 11.643 -5.533 -4.429 1.00 0.00 O ATOM 0 H TYR A 6 5.585 -0.003 -4.632 1.00 0.00 H new ATOM 0 HA TYR A 6 5.818 -2.866 -4.022 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.572 -2.728 -6.319 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.537 -1.305 -5.980 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.185 -4.857 -4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.809 -1.575 -5.613 1.00 0.00 H new ATOM 0 HE1 TYR A 6 9.128 -6.291 -4.342 1.00 0.00 H new ATOM 0 HE2 TYR A 6 11.748 -3.008 -5.121 1.00 0.00 H new ATOM 0 HH TYR A 6 12.413 -5.232 -4.954 1.00 0.00 H new ATOM 100 N ILE A 7 7.323 -2.297 -2.161 1.00 0.00 N ATOM 101 CA ILE A 7 8.248 -2.021 -1.068 1.00 0.00 C ATOM 102 C ILE A 7 9.398 -3.021 -1.054 1.00 0.00 C ATOM 103 O ILE A 7 9.193 -4.214 -0.832 1.00 0.00 O ATOM 104 CB ILE A 7 7.521 -2.055 0.288 1.00 0.00 C ATOM 105 CG1 ILE A 7 6.508 -0.911 0.380 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.522 -1.977 1.430 1.00 0.00 C ATOM 107 CD1 ILE A 7 5.543 -1.040 1.536 1.00 0.00 C ATOM 0 H ILE A 7 6.815 -3.177 -2.071 1.00 0.00 H new ATOM 0 HA ILE A 7 8.653 -1.022 -1.230 1.00 0.00 H new ATOM 0 HB ILE A 7 6.982 -2.999 0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.047 0.032 0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.942 -0.864 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.991 -2.002 2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.205 -2.824 1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.088 -1.049 1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.858 -0.193 1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.976 -1.966 1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.098 -1.055 2.474 1.00 0.00 H new ATOM 119 N LEU A 8 10.608 -2.526 -1.292 1.00 0.00 N ATOM 120 CA LEU A 8 11.815 -3.314 -1.072 1.00 0.00 C ATOM 121 C LEU A 8 12.342 -3.128 0.345 1.00 0.00 C ATOM 122 O LEU A 8 12.673 -2.015 0.754 1.00 0.00 O ATOM 123 CB LEU A 8 12.898 -2.919 -2.083 1.00 0.00 C ATOM 124 CG LEU A 8 14.266 -3.582 -1.885 1.00 0.00 C ATOM 125 CD1 LEU A 8 14.140 -5.084 -2.105 1.00 0.00 C ATOM 126 CD2 LEU A 8 15.272 -2.971 -2.850 1.00 0.00 C ATOM 0 H LEU A 8 10.779 -1.582 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 8 11.559 -4.365 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.540 -3.160 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.030 -1.838 -2.043 1.00 0.00 H new ATOM 0 HG LEU A 8 14.618 -3.411 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.113 -5.555 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.429 -5.498 -1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.788 -5.275 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.244 -3.443 -2.709 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.937 -3.131 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.356 -1.901 -2.659 1.00 0.00 H new ATOM 138 N MET A 9 12.416 -4.225 1.092 1.00 0.00 N ATOM 139 CA MET A 9 12.941 -4.192 2.452 1.00 0.00 C ATOM 140 C MET A 9 14.457 -4.344 2.462 1.00 0.00 C ATOM 141 O MET A 9 15.039 -4.911 1.537 1.00 0.00 O ATOM 142 CB MET A 9 12.290 -5.287 3.295 1.00 0.00 C ATOM 143 CG MET A 9 10.769 -5.240 3.321 1.00 0.00 C ATOM 144 SD MET A 9 10.131 -3.699 4.008 1.00 0.00 S ATOM 145 CE MET A 9 10.553 -3.899 5.737 1.00 0.00 C ATOM 0 H MET A 9 12.119 -5.149 0.778 1.00 0.00 H new ATOM 0 HA MET A 9 12.699 -3.221 2.885 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.605 -6.258 2.913 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.661 -5.211 4.317 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.388 -5.366 2.307 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.394 -6.078 3.909 1.00 0.00 H new ATOM 0 HE1 MET A 9 10.160 -3.057 6.307 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.120 -4.826 6.112 1.00 0.00 H new ATOM 0 HE3 MET A 9 11.637 -3.936 5.845 1.00 0.00 H new ATOM 155 N GLU A 10 15.090 -3.832 3.512 1.00 0.00 N ATOM 156 CA GLU A 10 16.542 -3.892 3.633 1.00 0.00 C ATOM 157 C GLU A 10 17.014 -5.311 3.921 1.00 0.00 C ATOM 158 O GLU A 10 18.214 -5.577 3.977 1.00 0.00 O ATOM 159 CB GLU A 10 17.024 -2.950 4.739 1.00 0.00 C ATOM 160 CG GLU A 10 18.537 -2.850 4.866 1.00 0.00 C ATOM 161 CD GLU A 10 18.978 -1.708 5.738 1.00 0.00 C ATOM 162 OE1 GLU A 10 18.137 -1.098 6.353 1.00 0.00 O ATOM 163 OE2 GLU A 10 20.157 -1.445 5.789 1.00 0.00 O ATOM 0 H GLU A 10 14.620 -3.371 4.291 1.00 0.00 H new ATOM 0 HA GLU A 10 16.968 -3.576 2.681 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.621 -1.955 4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.613 -3.287 5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.924 -3.783 5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.973 -2.732 3.874 1.00 0.00 H new ATOM 170 N ASN A 11 16.062 -6.220 4.102 1.00 0.00 N ATOM 171 CA ASN A 11 16.374 -7.637 4.255 1.00 0.00 C ATOM 172 C ASN A 11 16.226 -8.378 2.933 1.00 0.00 C ATOM 173 O ASN A 11 16.363 -9.601 2.877 1.00 0.00 O ATOM 174 CB ASN A 11 15.495 -8.264 5.321 1.00 0.00 C ATOM 175 CG ASN A 11 15.807 -7.756 6.701 1.00 0.00 C ATOM 176 OD1 ASN A 11 16.924 -7.929 7.200 1.00 0.00 O ATOM 177 ND2 ASN A 11 14.841 -7.134 7.325 1.00 0.00 N ATOM 0 H ASN A 11 15.067 -6.001 4.146 1.00 0.00 H new ATOM 0 HA ASN A 11 17.414 -7.720 4.571 1.00 0.00 H new ATOM 0 HB2 ASN A 11 14.449 -8.060 5.091 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.621 -9.347 5.299 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.994 -6.768 8.265 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.935 -7.015 6.872 1.00 0.00 H new ATOM 184 N GLY A 12 15.948 -7.632 1.869 1.00 0.00 N ATOM 185 CA GLY A 12 15.796 -8.216 0.542 1.00 0.00 C ATOM 186 C GLY A 12 14.353 -8.628 0.283 1.00 0.00 C ATOM 187 O GLY A 12 14.048 -9.255 -0.731 1.00 0.00 O ATOM 0 H GLY A 12 15.823 -6.620 1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.113 -7.497 -0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 12 16.447 -9.085 0.447 1.00 0.00 H new ATOM 191 N GLY A 13 13.466 -8.272 1.207 1.00 0.00 N ATOM 192 CA GLY A 13 12.053 -8.609 1.083 1.00 0.00 C ATOM 193 C GLY A 13 11.410 -7.871 -0.084 1.00 0.00 C ATOM 194 O GLY A 13 11.646 -6.679 -0.283 1.00 0.00 O ATOM 0 H GLY A 13 13.702 -7.750 2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 13 11.944 -9.684 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.534 -8.356 2.007 1.00 0.00 H new ATOM 198 N LYS A 14 10.598 -8.587 -0.856 1.00 0.00 N ATOM 199 CA LYS A 14 9.969 -8.018 -2.040 1.00 0.00 C ATOM 200 C LYS A 14 8.453 -7.981 -1.896 1.00 0.00 C ATOM 201 O LYS A 14 7.768 -8.963 -2.185 1.00 0.00 O ATOM 202 CB LYS A 14 10.360 -8.812 -3.288 1.00 0.00 C ATOM 203 CG LYS A 14 11.847 -8.786 -3.611 1.00 0.00 C ATOM 204 CD LYS A 14 12.140 -9.488 -4.928 1.00 0.00 C ATOM 205 CE LYS A 14 13.628 -9.476 -5.245 1.00 0.00 C ATOM 206 NZ LYS A 14 13.919 -10.068 -6.579 1.00 0.00 N ATOM 0 H LYS A 14 10.361 -9.564 -0.681 1.00 0.00 H new ATOM 0 HA LYS A 14 10.325 -6.993 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.047 -9.848 -3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.808 -8.418 -4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.192 -7.753 -3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.404 -9.268 -2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.785 -10.517 -4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.591 -8.999 -5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.997 -8.451 -5.215 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.167 -10.031 -4.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.944 -10.040 -6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.591 -11.055 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.426 -9.524 -7.315 1.00 0.00 H new ATOM 220 N ILE A 15 7.934 -6.844 -1.449 1.00 0.00 N ATOM 221 CA ILE A 15 6.508 -6.706 -1.179 1.00 0.00 C ATOM 222 C ILE A 15 5.795 -6.004 -2.328 1.00 0.00 C ATOM 223 O ILE A 15 6.008 -4.816 -2.571 1.00 0.00 O ATOM 224 CB ILE A 15 6.269 -5.926 0.126 1.00 0.00 C ATOM 225 CG1 ILE A 15 6.930 -6.643 1.306 1.00 0.00 C ATOM 226 CG2 ILE A 15 4.778 -5.750 0.375 1.00 0.00 C ATOM 227 CD1 ILE A 15 6.990 -5.814 2.569 1.00 0.00 C ATOM 0 H ILE A 15 8.480 -6.003 -1.265 1.00 0.00 H new ATOM 0 HA ILE A 15 6.099 -7.711 -1.074 1.00 0.00 H new ATOM 0 HB ILE A 15 6.720 -4.939 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.383 -7.563 1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.943 -6.931 1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.627 -5.196 1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.333 -5.199 -0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.305 -6.729 0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.471 -6.390 3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.563 -4.906 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.979 -5.548 2.878 1.00 0.00 H new ATOM 239 N GLU A 16 4.949 -6.747 -3.034 1.00 0.00 N ATOM 240 CA GLU A 16 4.151 -6.180 -4.115 1.00 0.00 C ATOM 241 C GLU A 16 2.678 -6.108 -3.733 1.00 0.00 C ATOM 242 O GLU A 16 2.110 -7.076 -3.228 1.00 0.00 O ATOM 243 CB GLU A 16 4.317 -7.008 -5.391 1.00 0.00 C ATOM 244 CG GLU A 16 5.710 -6.952 -6.001 1.00 0.00 C ATOM 245 CD GLU A 16 5.809 -7.693 -7.305 1.00 0.00 C ATOM 246 OE1 GLU A 16 4.813 -8.213 -7.748 1.00 0.00 O ATOM 247 OE2 GLU A 16 6.882 -7.740 -7.859 1.00 0.00 O ATOM 0 H GLU A 16 4.798 -7.743 -2.877 1.00 0.00 H new ATOM 0 HA GLU A 16 4.508 -5.166 -4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.072 -8.047 -5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.596 -6.661 -6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.990 -5.911 -6.159 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.427 -7.372 -5.295 1.00 0.00 H new ATOM 254 N PHE A 17 2.064 -4.955 -3.978 1.00 0.00 N ATOM 255 CA PHE A 17 0.683 -4.723 -3.577 1.00 0.00 C ATOM 256 C PHE A 17 -0.032 -3.809 -4.564 1.00 0.00 C ATOM 257 O PHE A 17 0.595 -2.977 -5.219 1.00 0.00 O ATOM 258 CB PHE A 17 0.628 -4.110 -2.176 1.00 0.00 C ATOM 259 CG PHE A 17 1.425 -2.844 -2.036 1.00 0.00 C ATOM 260 CD1 PHE A 17 2.786 -2.889 -1.773 1.00 0.00 C ATOM 261 CD2 PHE A 17 0.816 -1.606 -2.170 1.00 0.00 C ATOM 262 CE1 PHE A 17 3.521 -1.728 -1.644 1.00 0.00 C ATOM 263 CE2 PHE A 17 1.549 -0.440 -2.043 1.00 0.00 C ATOM 264 CZ PHE A 17 2.901 -0.501 -1.779 1.00 0.00 C ATOM 0 H PHE A 17 2.503 -4.166 -4.453 1.00 0.00 H new ATOM 0 HA PHE A 17 0.175 -5.688 -3.568 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.411 -3.904 -1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.995 -4.841 -1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.277 -3.845 -1.668 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.243 -1.551 -2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.580 -1.779 -1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.062 0.518 -2.151 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.474 0.409 -1.678 1.00 0.00 H new ATOM 274 N GLU A 18 -1.347 -3.969 -4.667 1.00 0.00 N ATOM 275 CA GLU A 18 -2.146 -3.176 -5.593 1.00 0.00 C ATOM 276 C GLU A 18 -2.846 -2.029 -4.876 1.00 0.00 C ATOM 277 O GLU A 18 -3.112 -2.106 -3.676 1.00 0.00 O ATOM 278 CB GLU A 18 -3.179 -4.057 -6.297 1.00 0.00 C ATOM 279 CG GLU A 18 -2.582 -5.121 -7.208 1.00 0.00 C ATOM 280 CD GLU A 18 -3.627 -5.952 -7.900 1.00 0.00 C ATOM 281 OE1 GLU A 18 -4.789 -5.740 -7.650 1.00 0.00 O ATOM 282 OE2 GLU A 18 -3.262 -6.799 -8.680 1.00 0.00 O ATOM 0 H GLU A 18 -1.883 -4.642 -4.119 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.470 -2.753 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.796 -4.546 -5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.840 -3.421 -6.886 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.953 -4.640 -7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.936 -5.774 -6.621 1.00 0.00 H new ATOM 289 N LEU A 19 -3.143 -0.967 -5.616 1.00 0.00 N ATOM 290 CA LEU A 19 -3.798 0.204 -5.047 1.00 0.00 C ATOM 291 C LEU A 19 -5.231 0.333 -5.549 1.00 0.00 C ATOM 292 O LEU A 19 -5.551 -0.097 -6.657 1.00 0.00 O ATOM 293 CB LEU A 19 -3.012 1.474 -5.397 1.00 0.00 C ATOM 294 CG LEU A 19 -2.085 2.007 -4.297 1.00 0.00 C ATOM 295 CD1 LEU A 19 -1.468 0.838 -3.542 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.010 2.885 -4.920 1.00 0.00 C ATOM 0 H LEU A 19 -2.940 -0.893 -6.613 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.822 0.079 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.414 1.275 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.722 2.258 -5.659 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.654 2.611 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.809 1.217 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.259 0.238 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.894 0.221 -4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.351 3.264 -4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.429 2.299 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.479 3.722 -5.437 1.00 0.00 H new ATOM 308 N PHE A 20 -6.090 0.927 -4.728 1.00 0.00 N ATOM 309 CA PHE A 20 -7.504 1.052 -5.057 1.00 0.00 C ATOM 310 C PHE A 20 -7.968 2.499 -4.952 1.00 0.00 C ATOM 311 O PHE A 20 -8.608 2.887 -3.975 1.00 0.00 O ATOM 312 CB PHE A 20 -8.348 0.173 -4.134 1.00 0.00 C ATOM 313 CG PHE A 20 -7.968 -1.280 -4.167 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.328 -2.083 -5.239 1.00 0.00 C ATOM 315 CD2 PHE A 20 -7.250 -1.848 -3.125 1.00 0.00 C ATOM 316 CE1 PHE A 20 -7.980 -3.419 -5.272 1.00 0.00 C ATOM 317 CE2 PHE A 20 -6.900 -3.185 -3.155 1.00 0.00 C ATOM 318 CZ PHE A 20 -7.265 -3.970 -4.227 1.00 0.00 C ATOM 0 H PHE A 20 -5.830 1.330 -3.828 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.634 0.720 -6.087 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.254 0.540 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.397 0.271 -4.413 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.888 -1.658 -6.059 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.961 -1.239 -2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.267 -4.032 -6.114 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.340 -3.615 -2.338 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.992 -5.015 -4.250 1.00 0.00 H new ATOM 328 N PRO A 21 -7.640 3.295 -5.964 1.00 0.00 N ATOM 329 CA PRO A 21 -8.061 4.690 -6.009 1.00 0.00 C ATOM 330 C PRO A 21 -9.574 4.806 -6.141 1.00 0.00 C ATOM 331 O PRO A 21 -10.148 5.870 -5.910 1.00 0.00 O ATOM 332 CB PRO A 21 -7.343 5.227 -7.252 1.00 0.00 C ATOM 333 CG PRO A 21 -7.134 4.022 -8.103 1.00 0.00 C ATOM 334 CD PRO A 21 -6.824 2.922 -7.123 1.00 0.00 C ATOM 0 HA PRO A 21 -7.814 5.244 -5.103 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.944 5.978 -7.766 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.396 5.700 -6.992 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.022 3.792 -8.691 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.315 4.170 -8.807 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.097 1.941 -7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.763 2.884 -6.877 1.00 0.00 H new ATOM 342 N ASN A 22 -10.216 3.704 -6.514 1.00 0.00 N ATOM 343 CA ASN A 22 -11.672 3.648 -6.571 1.00 0.00 C ATOM 344 C ASN A 22 -12.279 3.650 -5.175 1.00 0.00 C ATOM 345 O ASN A 22 -13.439 4.019 -4.992 1.00 0.00 O ATOM 346 CB ASN A 22 -12.128 2.428 -7.351 1.00 0.00 C ATOM 347 CG ASN A 22 -11.874 2.558 -8.827 1.00 0.00 C ATOM 348 OD1 ASN A 22 -11.724 3.669 -9.349 1.00 0.00 O ATOM 349 ND2 ASN A 22 -11.821 1.442 -9.511 1.00 0.00 N ATOM 0 H ASN A 22 -9.750 2.837 -6.782 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.022 4.541 -7.088 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.611 1.546 -6.973 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.193 2.270 -7.182 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.650 1.468 -10.516 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.951 0.547 -9.038 1.00 0.00 H new ATOM 356 N GLU A 23 -11.489 3.234 -4.190 1.00 0.00 N ATOM 357 CA GLU A 23 -11.941 3.204 -2.805 1.00 0.00 C ATOM 358 C GLU A 23 -11.565 4.488 -2.076 1.00 0.00 C ATOM 359 O GLU A 23 -12.346 5.015 -1.283 1.00 0.00 O ATOM 360 CB GLU A 23 -11.347 1.997 -2.075 1.00 0.00 C ATOM 361 CG GLU A 23 -11.792 0.650 -2.623 1.00 0.00 C ATOM 362 CD GLU A 23 -11.141 -0.510 -1.922 1.00 0.00 C ATOM 363 OE1 GLU A 23 -10.350 -0.279 -1.040 1.00 0.00 O ATOM 364 OE2 GLU A 23 -11.436 -1.629 -2.269 1.00 0.00 O ATOM 0 H GLU A 23 -10.531 2.913 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.028 3.118 -2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.260 2.055 -2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.620 2.055 -1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.874 0.564 -2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.560 0.602 -3.687 1.00 0.00 H new ATOM 371 N ALA A 24 -10.363 4.986 -2.347 1.00 0.00 N ATOM 372 CA ALA A 24 -9.889 6.220 -1.731 1.00 0.00 C ATOM 373 C ALA A 24 -8.935 6.964 -2.657 1.00 0.00 C ATOM 374 O ALA A 24 -7.718 6.803 -2.570 1.00 0.00 O ATOM 375 CB ALA A 24 -9.211 5.923 -0.401 1.00 0.00 C ATOM 0 H ALA A 24 -9.699 4.554 -2.989 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.753 6.860 -1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.863 6.854 0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.922 5.442 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.362 5.260 -0.566 1.00 0.00 H new ATOM 381 N PRO A 25 -9.495 7.781 -3.543 1.00 0.00 N ATOM 382 CA PRO A 25 -8.696 8.546 -4.493 1.00 0.00 C ATOM 383 C PRO A 25 -7.603 9.334 -3.783 1.00 0.00 C ATOM 384 O PRO A 25 -6.440 9.303 -4.185 1.00 0.00 O ATOM 385 CB PRO A 25 -9.728 9.472 -5.144 1.00 0.00 C ATOM 386 CG PRO A 25 -10.999 8.696 -5.094 1.00 0.00 C ATOM 387 CD PRO A 25 -10.951 7.984 -3.769 1.00 0.00 C ATOM 0 HA PRO A 25 -8.170 7.923 -5.216 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.815 10.414 -4.603 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.452 9.718 -6.169 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.867 9.351 -5.162 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.067 7.990 -5.922 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.402 8.580 -2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.489 7.037 -3.802 1.00 0.00 H new ATOM 395 N VAL A 26 -7.982 10.042 -2.724 1.00 0.00 N ATOM 396 CA VAL A 26 -7.072 10.958 -2.048 1.00 0.00 C ATOM 397 C VAL A 26 -5.964 10.201 -1.326 1.00 0.00 C ATOM 398 O VAL A 26 -4.784 10.517 -1.477 1.00 0.00 O ATOM 399 CB VAL A 26 -7.842 11.825 -1.033 1.00 0.00 C ATOM 400 CG1 VAL A 26 -6.878 12.660 -0.206 1.00 0.00 C ATOM 401 CG2 VAL A 26 -8.837 12.715 -1.764 1.00 0.00 C ATOM 0 H VAL A 26 -8.915 9.998 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.621 11.597 -2.807 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.390 11.172 -0.354 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.439 13.266 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.198 12.002 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.304 13.312 -0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.378 13.326 -1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.303 13.363 -2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.543 12.095 -2.316 1.00 0.00 H new ATOM 411 N THR A 27 -6.352 9.202 -0.542 1.00 0.00 N ATOM 412 CA THR A 27 -5.397 8.436 0.251 1.00 0.00 C ATOM 413 C THR A 27 -4.390 7.719 -0.639 1.00 0.00 C ATOM 414 O THR A 27 -3.192 7.715 -0.358 1.00 0.00 O ATOM 415 CB THR A 27 -6.117 7.411 1.148 1.00 0.00 C ATOM 416 OG1 THR A 27 -6.992 8.096 2.054 1.00 0.00 O ATOM 417 CG2 THR A 27 -5.108 6.596 1.942 1.00 0.00 C ATOM 0 H THR A 27 -7.322 8.903 -0.438 1.00 0.00 H new ATOM 0 HA THR A 27 -4.862 9.144 0.884 1.00 0.00 H new ATOM 0 HB THR A 27 -6.694 6.738 0.514 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.834 7.776 2.967 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.634 5.877 2.570 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.449 6.064 1.256 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.516 7.262 2.570 1.00 0.00 H new ATOM 425 N VAL A 28 -4.884 7.114 -1.713 1.00 0.00 N ATOM 426 CA VAL A 28 -4.024 6.419 -2.665 1.00 0.00 C ATOM 427 C VAL A 28 -3.066 7.386 -3.349 1.00 0.00 C ATOM 428 O VAL A 28 -1.875 7.106 -3.481 1.00 0.00 O ATOM 429 CB VAL A 28 -4.876 5.703 -3.730 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.997 5.206 -4.868 1.00 0.00 C ATOM 431 CG2 VAL A 28 -5.639 4.551 -3.094 1.00 0.00 C ATOM 0 H VAL A 28 -5.877 7.090 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.440 5.684 -2.110 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.595 6.410 -4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.615 4.703 -5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.488 6.052 -5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.257 4.507 -4.478 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.239 4.049 -3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.933 3.842 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.292 4.936 -2.311 1.00 0.00 H new ATOM 441 N ALA A 29 -3.594 8.525 -3.784 1.00 0.00 N ATOM 442 CA ALA A 29 -2.780 9.551 -4.425 1.00 0.00 C ATOM 443 C ALA A 29 -1.653 10.011 -3.509 1.00 0.00 C ATOM 444 O ALA A 29 -0.505 10.132 -3.935 1.00 0.00 O ATOM 445 CB ALA A 29 -3.646 10.734 -4.835 1.00 0.00 C ATOM 0 H ALA A 29 -4.583 8.761 -3.704 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.332 9.116 -5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.025 11.492 -5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.412 10.399 -5.535 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.123 11.159 -3.952 1.00 0.00 H new ATOM 451 N ASN A 30 -1.989 10.267 -2.249 1.00 0.00 N ATOM 452 CA ASN A 30 -1.009 10.730 -1.274 1.00 0.00 C ATOM 453 C ASN A 30 0.105 9.709 -1.086 1.00 0.00 C ATOM 454 O ASN A 30 1.287 10.050 -1.131 1.00 0.00 O ATOM 455 CB ASN A 30 -1.680 11.038 0.053 1.00 0.00 C ATOM 456 CG ASN A 30 -2.465 12.321 0.018 1.00 0.00 C ATOM 457 OD1 ASN A 30 -2.264 13.163 -0.865 1.00 0.00 O ATOM 458 ND2 ASN A 30 -3.357 12.485 0.962 1.00 0.00 N ATOM 0 H ASN A 30 -2.934 10.161 -1.879 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.562 11.647 -1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.345 10.216 0.320 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.922 11.101 0.834 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.920 13.335 0.989 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.489 11.763 1.670 1.00 0.00 H new ATOM 465 N PHE A 31 -0.279 8.454 -0.875 1.00 0.00 N ATOM 466 CA PHE A 31 0.687 7.376 -0.696 1.00 0.00 C ATOM 467 C PHE A 31 1.610 7.258 -1.903 1.00 0.00 C ATOM 468 O PHE A 31 2.832 7.199 -1.759 1.00 0.00 O ATOM 469 CB PHE A 31 -0.031 6.046 -0.466 1.00 0.00 C ATOM 470 CG PHE A 31 0.896 4.889 -0.229 1.00 0.00 C ATOM 471 CD1 PHE A 31 1.347 4.594 1.049 1.00 0.00 C ATOM 472 CD2 PHE A 31 1.322 4.095 -1.283 1.00 0.00 C ATOM 473 CE1 PHE A 31 2.201 3.529 1.269 1.00 0.00 C ATOM 474 CE2 PHE A 31 2.174 3.030 -1.066 1.00 0.00 C ATOM 475 CZ PHE A 31 2.614 2.747 0.211 1.00 0.00 C ATOM 0 H PHE A 31 -1.254 8.158 -0.824 1.00 0.00 H new ATOM 0 HA PHE A 31 1.290 7.615 0.180 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.697 6.147 0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.656 5.827 -1.332 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.028 5.203 1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.984 4.312 -2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.544 3.310 2.269 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.496 2.418 -1.896 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.281 1.915 0.381 1.00 0.00 H new ATOM 485 N GLU A 32 1.020 7.225 -3.092 1.00 0.00 N ATOM 486 CA GLU A 32 1.788 7.107 -4.327 1.00 0.00 C ATOM 487 C GLU A 32 2.812 8.227 -4.447 1.00 0.00 C ATOM 488 O GLU A 32 3.992 7.978 -4.698 1.00 0.00 O ATOM 489 CB GLU A 32 0.854 7.123 -5.539 1.00 0.00 C ATOM 490 CG GLU A 32 1.569 7.097 -6.883 1.00 0.00 C ATOM 491 CD GLU A 32 0.621 7.122 -8.050 1.00 0.00 C ATOM 492 OE1 GLU A 32 -0.565 7.133 -7.827 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.086 7.130 -9.166 1.00 0.00 O ATOM 0 H GLU A 32 0.010 7.278 -3.228 1.00 0.00 H new ATOM 0 HA GLU A 32 2.321 6.157 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.186 6.264 -5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.230 8.015 -5.490 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.241 7.953 -6.948 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.187 6.201 -6.943 1.00 0.00 H new ATOM 500 N LYS A 33 2.356 9.462 -4.266 1.00 0.00 N ATOM 501 CA LYS A 33 3.224 10.627 -4.395 1.00 0.00 C ATOM 502 C LYS A 33 4.371 10.571 -3.395 1.00 0.00 C ATOM 503 O LYS A 33 5.533 10.757 -3.756 1.00 0.00 O ATOM 504 CB LYS A 33 2.423 11.916 -4.206 1.00 0.00 C ATOM 505 CG LYS A 33 1.476 12.241 -5.353 1.00 0.00 C ATOM 506 CD LYS A 33 0.699 13.521 -5.081 1.00 0.00 C ATOM 507 CE LYS A 33 -0.262 13.838 -6.218 1.00 0.00 C ATOM 508 NZ LYS A 33 -1.018 15.096 -5.973 1.00 0.00 N ATOM 0 H LYS A 33 1.389 9.682 -4.029 1.00 0.00 H new ATOM 0 HA LYS A 33 3.647 10.619 -5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.846 11.839 -3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.118 12.746 -4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.044 12.347 -6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.780 11.415 -5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.142 13.420 -4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.395 14.350 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.296 13.926 -7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.962 13.012 -6.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.661 15.276 -6.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.571 15.004 -5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.352 15.889 -5.880 1.00 0.00 H new ATOM 522 N LEU A 34 4.039 10.313 -2.134 1.00 0.00 N ATOM 523 CA LEU A 34 5.042 10.219 -1.080 1.00 0.00 C ATOM 524 C LEU A 34 6.112 9.192 -1.430 1.00 0.00 C ATOM 525 O LEU A 34 7.308 9.469 -1.331 1.00 0.00 O ATOM 526 CB LEU A 34 4.380 9.843 0.251 1.00 0.00 C ATOM 527 CG LEU A 34 3.530 10.942 0.904 1.00 0.00 C ATOM 528 CD1 LEU A 34 2.754 10.354 2.076 1.00 0.00 C ATOM 529 CD2 LEU A 34 4.435 12.077 1.361 1.00 0.00 C ATOM 0 H LEU A 34 3.081 10.165 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 34 5.519 11.195 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.749 8.969 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.160 9.547 0.953 1.00 0.00 H new ATOM 0 HG LEU A 34 2.815 11.340 0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.150 11.134 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.103 9.556 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.453 9.951 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.833 12.858 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.157 11.698 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.964 12.489 0.502 1.00 0.00 H new ATOM 541 N ALA A 35 5.675 8.005 -1.837 1.00 0.00 N ATOM 542 CA ALA A 35 6.594 6.930 -2.187 1.00 0.00 C ATOM 543 C ALA A 35 7.551 7.361 -3.292 1.00 0.00 C ATOM 544 O ALA A 35 8.763 7.176 -3.184 1.00 0.00 O ATOM 545 CB ALA A 35 5.822 5.689 -2.612 1.00 0.00 C ATOM 0 H ALA A 35 4.689 7.764 -1.932 1.00 0.00 H new ATOM 0 HA ALA A 35 7.185 6.692 -1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.523 4.895 -2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.185 5.358 -1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.204 5.924 -3.479 1.00 0.00 H new ATOM 551 N ASN A 36 6.999 7.938 -4.354 1.00 0.00 N ATOM 552 CA ASN A 36 7.789 8.306 -5.523 1.00 0.00 C ATOM 553 C ASN A 36 8.628 9.549 -5.252 1.00 0.00 C ATOM 554 O ASN A 36 9.582 9.835 -5.975 1.00 0.00 O ATOM 555 CB ASN A 36 6.892 8.519 -6.728 1.00 0.00 C ATOM 556 CG ASN A 36 6.355 7.230 -7.285 1.00 0.00 C ATOM 557 OD1 ASN A 36 6.929 6.157 -7.062 1.00 0.00 O ATOM 558 ND2 ASN A 36 5.267 7.313 -8.006 1.00 0.00 N ATOM 0 H ASN A 36 6.007 8.161 -4.429 1.00 0.00 H new ATOM 0 HA ASN A 36 8.470 7.483 -5.740 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.059 9.164 -6.447 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.451 9.041 -7.505 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.858 6.471 -8.411 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.828 8.220 -8.164 1.00 0.00 H new ATOM 565 N GLU A 37 8.266 10.283 -4.206 1.00 0.00 N ATOM 566 CA GLU A 37 9.074 11.403 -3.741 1.00 0.00 C ATOM 567 C GLU A 37 10.183 10.933 -2.807 1.00 0.00 C ATOM 568 O GLU A 37 11.018 11.723 -2.371 1.00 0.00 O ATOM 569 CB GLU A 37 8.197 12.434 -3.026 1.00 0.00 C ATOM 570 CG GLU A 37 7.274 13.220 -3.947 1.00 0.00 C ATOM 571 CD GLU A 37 6.306 14.093 -3.198 1.00 0.00 C ATOM 572 OE1 GLU A 37 6.320 14.063 -1.990 1.00 0.00 O ATOM 573 OE2 GLU A 37 5.552 14.791 -3.833 1.00 0.00 O ATOM 0 H GLU A 37 7.417 10.122 -3.664 1.00 0.00 H new ATOM 0 HA GLU A 37 9.533 11.866 -4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.593 11.922 -2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.841 13.134 -2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.875 13.840 -4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.717 12.525 -4.575 1.00 0.00 H new ATOM 580 N GLY A 38 10.185 9.638 -2.505 1.00 0.00 N ATOM 581 CA GLY A 38 11.243 9.040 -1.700 1.00 0.00 C ATOM 582 C GLY A 38 10.976 9.228 -0.213 1.00 0.00 C ATOM 583 O GLY A 38 11.888 9.128 0.609 1.00 0.00 O ATOM 0 H GLY A 38 9.464 8.982 -2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.319 7.977 -1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.201 9.491 -1.960 1.00 0.00 H new ATOM 587 N PHE A 39 9.722 9.501 0.129 1.00 0.00 N ATOM 588 CA PHE A 39 9.329 9.686 1.520 1.00 0.00 C ATOM 589 C PHE A 39 9.451 8.385 2.304 1.00 0.00 C ATOM 590 O PHE A 39 10.179 8.312 3.295 1.00 0.00 O ATOM 591 CB PHE A 39 7.892 10.205 1.606 1.00 0.00 C ATOM 592 CG PHE A 39 7.381 10.343 3.011 1.00 0.00 C ATOM 593 CD1 PHE A 39 7.762 11.417 3.802 1.00 0.00 C ATOM 594 CD2 PHE A 39 6.518 9.399 3.547 1.00 0.00 C ATOM 595 CE1 PHE A 39 7.293 11.544 5.096 1.00 0.00 C ATOM 596 CE2 PHE A 39 6.045 9.524 4.839 1.00 0.00 C ATOM 597 CZ PHE A 39 6.433 10.598 5.614 1.00 0.00 C ATOM 0 H PHE A 39 8.959 9.599 -0.540 1.00 0.00 H new ATOM 0 HA PHE A 39 10.004 10.421 1.960 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.836 11.175 1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.238 9.529 1.056 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.433 12.163 3.402 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.212 8.555 2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.600 12.384 5.702 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.372 8.782 5.242 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.064 10.698 6.624 1.00 0.00 H new ATOM 607 N TYR A 40 8.735 7.360 1.855 1.00 0.00 N ATOM 608 CA TYR A 40 8.702 6.083 2.557 1.00 0.00 C ATOM 609 C TYR A 40 10.040 5.362 2.454 1.00 0.00 C ATOM 610 O TYR A 40 10.394 4.563 3.321 1.00 0.00 O ATOM 611 CB TYR A 40 7.579 5.199 2.009 1.00 0.00 C ATOM 612 CG TYR A 40 6.191 5.715 2.316 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.744 5.765 3.628 1.00 0.00 C ATOM 614 CD2 TYR A 40 5.365 6.139 1.284 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.476 6.236 3.908 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.097 6.610 1.566 1.00 0.00 C ATOM 617 CZ TYR A 40 3.653 6.660 2.871 1.00 0.00 C ATOM 618 OH TYR A 40 2.390 7.129 3.150 1.00 0.00 O ATOM 0 H TYR A 40 8.169 7.389 1.007 1.00 0.00 H new ATOM 0 HA TYR A 40 8.508 6.286 3.610 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.693 5.111 0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.684 4.196 2.423 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.387 5.436 4.431 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.713 6.101 0.262 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.125 6.275 4.929 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.453 6.939 0.764 1.00 0.00 H new ATOM 0 HH TYR A 40 2.307 7.292 4.113 1.00 0.00 H new ATOM 628 N ASN A 41 10.780 5.649 1.388 1.00 0.00 N ATOM 629 CA ASN A 41 12.134 5.132 1.234 1.00 0.00 C ATOM 630 C ASN A 41 13.030 5.580 2.381 1.00 0.00 C ATOM 631 O ASN A 41 13.372 6.758 2.490 1.00 0.00 O ATOM 632 CB ASN A 41 12.721 5.558 -0.099 1.00 0.00 C ATOM 633 CG ASN A 41 14.109 5.025 -0.317 1.00 0.00 C ATOM 634 OD1 ASN A 41 14.832 4.733 0.643 1.00 0.00 O ATOM 635 ND2 ASN A 41 14.497 4.894 -1.560 1.00 0.00 N ATOM 0 H ASN A 41 10.464 6.238 0.617 1.00 0.00 H new ATOM 0 HA ASN A 41 12.080 4.044 1.257 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.073 5.212 -0.904 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.742 6.647 -0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 41 15.430 4.538 -1.768 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.866 5.148 -2.321 1.00 0.00 H new ATOM 642 N GLY A 42 13.405 4.636 3.237 1.00 0.00 N ATOM 643 CA GLY A 42 14.337 4.914 4.325 1.00 0.00 C ATOM 644 C GLY A 42 13.621 4.936 5.669 1.00 0.00 C ATOM 645 O GLY A 42 14.255 5.043 6.719 1.00 0.00 O ATOM 0 H GLY A 42 13.078 3.671 3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.120 4.156 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.825 5.874 4.154 1.00 0.00 H new ATOM 649 N LEU A 43 12.297 4.832 5.631 1.00 0.00 N ATOM 650 CA LEU A 43 11.495 4.806 6.848 1.00 0.00 C ATOM 651 C LEU A 43 11.330 3.384 7.368 1.00 0.00 C ATOM 652 O LEU A 43 11.568 2.417 6.646 1.00 0.00 O ATOM 653 CB LEU A 43 10.115 5.425 6.588 1.00 0.00 C ATOM 654 CG LEU A 43 10.121 6.871 6.076 1.00 0.00 C ATOM 655 CD1 LEU A 43 8.695 7.405 6.048 1.00 0.00 C ATOM 656 CD2 LEU A 43 11.008 7.723 6.971 1.00 0.00 C ATOM 0 H LEU A 43 11.756 4.764 4.769 1.00 0.00 H new ATOM 0 HA LEU A 43 12.017 5.391 7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.589 4.804 5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.541 5.389 7.514 1.00 0.00 H new ATOM 0 HG LEU A 43 10.521 6.907 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.698 8.433 5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.088 6.788 5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.276 7.378 7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.012 8.750 6.607 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.624 7.701 7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.024 7.329 6.957 1.00 0.00 H new ATOM 668 N THR A 44 10.922 3.264 8.627 1.00 0.00 N ATOM 669 CA THR A 44 10.877 1.970 9.298 1.00 0.00 C ATOM 670 C THR A 44 9.479 1.669 9.822 1.00 0.00 C ATOM 671 O THR A 44 8.605 2.537 9.823 1.00 0.00 O ATOM 672 CB THR A 44 11.888 1.913 10.459 1.00 0.00 C ATOM 673 OG1 THR A 44 11.468 2.798 11.506 1.00 0.00 O ATOM 674 CG2 THR A 44 13.273 2.319 9.980 1.00 0.00 C ATOM 0 H THR A 44 10.617 4.048 9.204 1.00 0.00 H new ATOM 0 HA THR A 44 11.144 1.214 8.560 1.00 0.00 H new ATOM 0 HB THR A 44 11.931 0.891 10.835 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.216 3.664 11.121 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.974 2.273 10.813 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.600 1.639 9.193 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.239 3.336 9.590 1.00 0.00 H new ATOM 682 N PHE A 45 9.273 0.434 10.268 1.00 0.00 N ATOM 683 CA PHE A 45 8.019 0.050 10.906 1.00 0.00 C ATOM 684 C PHE A 45 8.114 0.167 12.422 1.00 0.00 C ATOM 685 O PHE A 45 8.775 -0.638 13.076 1.00 0.00 O ATOM 686 CB PHE A 45 7.643 -1.383 10.523 1.00 0.00 C ATOM 687 CG PHE A 45 7.160 -1.525 9.107 1.00 0.00 C ATOM 688 CD1 PHE A 45 8.059 -1.718 8.069 1.00 0.00 C ATOM 689 CD2 PHE A 45 5.807 -1.464 8.810 1.00 0.00 C ATOM 690 CE1 PHE A 45 7.617 -1.849 6.766 1.00 0.00 C ATOM 691 CE2 PHE A 45 5.361 -1.595 7.509 1.00 0.00 C ATOM 692 CZ PHE A 45 6.267 -1.788 6.486 1.00 0.00 C ATOM 0 H PHE A 45 9.959 -0.318 10.199 1.00 0.00 H new ATOM 0 HA PHE A 45 7.245 0.732 10.554 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.510 -2.027 10.668 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.866 -1.738 11.200 1.00 0.00 H new ATOM 0 HD1 PHE A 45 9.117 -1.767 8.281 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.093 -1.312 9.606 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.328 -1.999 5.967 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.304 -1.546 7.293 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.920 -1.891 5.468 1.00 0.00 H new ATOM 702 N HIS A 46 7.447 1.176 12.974 1.00 0.00 N ATOM 703 CA HIS A 46 7.663 1.566 14.362 1.00 0.00 C ATOM 704 C HIS A 46 7.044 0.557 15.320 1.00 0.00 C ATOM 705 O HIS A 46 7.407 0.500 16.495 1.00 0.00 O ATOM 706 CB HIS A 46 7.079 2.958 14.630 1.00 0.00 C ATOM 707 CG HIS A 46 5.601 3.042 14.410 1.00 0.00 C ATOM 708 ND1 HIS A 46 5.048 3.404 13.199 1.00 0.00 N ATOM 709 CD2 HIS A 46 4.561 2.812 15.245 1.00 0.00 C ATOM 710 CE1 HIS A 46 3.729 3.392 13.300 1.00 0.00 C ATOM 711 NE2 HIS A 46 3.410 3.037 14.531 1.00 0.00 N ATOM 0 H HIS A 46 6.753 1.738 12.481 1.00 0.00 H new ATOM 0 HA HIS A 46 8.739 1.592 14.532 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.301 3.244 15.658 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.576 3.681 13.983 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.625 2.508 16.279 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.032 3.632 12.510 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.461 2.945 14.893 1.00 0.00 H new ATOM 718 N ARG A 47 6.109 -0.238 14.812 1.00 0.00 N ATOM 719 CA ARG A 47 5.357 -1.166 15.646 1.00 0.00 C ATOM 720 C ARG A 47 4.733 -2.278 14.810 1.00 0.00 C ATOM 721 O ARG A 47 3.617 -2.139 14.311 1.00 0.00 O ATOM 722 CB ARG A 47 4.262 -0.435 16.410 1.00 0.00 C ATOM 723 CG ARG A 47 3.497 -1.290 17.406 1.00 0.00 C ATOM 724 CD ARG A 47 2.511 -0.488 18.174 1.00 0.00 C ATOM 725 NE ARG A 47 3.154 0.556 18.956 1.00 0.00 N ATOM 726 CZ ARG A 47 2.527 1.651 19.431 1.00 0.00 C ATOM 727 NH1 ARG A 47 1.246 1.829 19.196 1.00 0.00 N ATOM 728 NH2 ARG A 47 3.201 2.545 20.134 1.00 0.00 N ATOM 0 H ARG A 47 5.854 -0.258 13.825 1.00 0.00 H new ATOM 0 HA ARG A 47 6.057 -1.610 16.354 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.709 0.405 16.942 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.555 -0.018 15.693 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.981 -2.092 16.877 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.198 -1.762 18.095 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.795 -0.038 17.487 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.947 -1.144 18.838 1.00 0.00 H new ATOM 0 HE ARG A 47 4.148 0.453 19.159 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.726 1.139 18.654 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.772 2.657 19.555 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.195 2.406 20.317 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.727 3.374 20.494 1.00 0.00 H new ATOM 742 N VAL A 48 5.463 -3.379 14.661 1.00 0.00 N ATOM 743 CA VAL A 48 4.938 -4.558 13.983 1.00 0.00 C ATOM 744 C VAL A 48 4.277 -5.513 14.969 1.00 0.00 C ATOM 745 O VAL A 48 4.920 -6.006 15.895 1.00 0.00 O ATOM 746 CB VAL A 48 6.069 -5.294 13.240 1.00 0.00 C ATOM 747 CG1 VAL A 48 5.530 -6.536 12.545 1.00 0.00 C ATOM 748 CG2 VAL A 48 6.726 -4.357 12.238 1.00 0.00 C ATOM 0 H VAL A 48 6.420 -3.479 15.001 1.00 0.00 H new ATOM 0 HA VAL A 48 4.188 -4.222 13.267 1.00 0.00 H new ATOM 0 HB VAL A 48 6.820 -5.612 13.964 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.343 -7.044 12.025 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.097 -7.208 13.286 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.764 -6.247 11.826 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.525 -4.884 11.716 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.983 -4.018 11.516 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.141 -3.497 12.763 1.00 0.00 H new ATOM 758 N ILE A 49 2.989 -5.769 14.765 1.00 0.00 N ATOM 759 CA ILE A 49 2.248 -6.696 15.612 1.00 0.00 C ATOM 760 C ILE A 49 1.661 -7.838 14.795 1.00 0.00 C ATOM 761 O ILE A 49 0.544 -7.741 14.287 1.00 0.00 O ATOM 762 CB ILE A 49 1.120 -5.968 16.365 1.00 0.00 C ATOM 763 CG1 ILE A 49 1.680 -4.777 17.146 1.00 0.00 C ATOM 764 CG2 ILE A 49 0.399 -6.929 17.298 1.00 0.00 C ATOM 765 CD1 ILE A 49 0.617 -3.900 17.767 1.00 0.00 C ATOM 0 H ILE A 49 2.436 -5.347 14.019 1.00 0.00 H new ATOM 0 HA ILE A 49 2.951 -7.109 16.336 1.00 0.00 H new ATOM 0 HB ILE A 49 0.402 -5.593 15.636 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.337 -5.147 17.933 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.292 -4.172 16.478 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.396 -6.399 17.823 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.031 -7.745 16.718 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.106 -7.332 18.023 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.091 -3.078 18.303 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.027 -3.499 16.984 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.019 -4.490 18.462 1.00 0.00 H new ATOM 777 N PRO A 50 2.419 -8.924 14.672 1.00 0.00 N ATOM 778 CA PRO A 50 1.950 -10.111 13.970 1.00 0.00 C ATOM 779 C PRO A 50 0.627 -10.604 14.545 1.00 0.00 C ATOM 780 O PRO A 50 0.489 -10.767 15.758 1.00 0.00 O ATOM 781 CB PRO A 50 3.079 -11.119 14.207 1.00 0.00 C ATOM 782 CG PRO A 50 4.289 -10.273 14.405 1.00 0.00 C ATOM 783 CD PRO A 50 3.791 -9.085 15.185 1.00 0.00 C ATOM 0 HA PRO A 50 1.751 -9.937 12.913 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.881 -11.741 15.080 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.198 -11.791 13.357 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.065 -10.810 14.951 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.722 -9.970 13.452 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.804 -9.269 16.259 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.398 -8.198 15.006 1.00 0.00 H new ATOM 791 N GLY A 51 -0.341 -10.840 13.668 1.00 0.00 N ATOM 792 CA GLY A 51 -1.652 -11.323 14.085 1.00 0.00 C ATOM 793 C GLY A 51 -2.603 -10.165 14.358 1.00 0.00 C ATOM 794 O GLY A 51 -3.731 -10.367 14.810 1.00 0.00 O ATOM 0 H GLY A 51 -0.243 -10.705 12.662 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.070 -11.965 13.310 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.549 -11.933 14.983 1.00 0.00 H new ATOM 798 N PHE A 52 -2.144 -8.949 14.080 1.00 0.00 N ATOM 799 CA PHE A 52 -2.992 -7.768 14.181 1.00 0.00 C ATOM 800 C PHE A 52 -2.729 -6.802 13.032 1.00 0.00 C ATOM 801 O PHE A 52 -3.317 -6.925 11.958 1.00 0.00 O ATOM 802 CB PHE A 52 -2.760 -7.057 15.515 1.00 0.00 C ATOM 803 CG PHE A 52 -3.687 -5.899 15.754 1.00 0.00 C ATOM 804 CD1 PHE A 52 -5.047 -6.019 15.508 1.00 0.00 C ATOM 805 CD2 PHE A 52 -3.201 -4.688 16.223 1.00 0.00 C ATOM 806 CE1 PHE A 52 -5.901 -4.954 15.727 1.00 0.00 C ATOM 807 CE2 PHE A 52 -4.053 -3.622 16.444 1.00 0.00 C ATOM 808 CZ PHE A 52 -5.404 -3.756 16.195 1.00 0.00 C ATOM 0 H PHE A 52 -1.188 -8.756 13.783 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.029 -8.098 14.125 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.877 -7.777 16.325 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.731 -6.700 15.552 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.443 -6.955 15.141 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.145 -4.576 16.418 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.958 -5.060 15.531 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.662 -2.685 16.811 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.071 -2.924 16.366 1.00 0.00 H new ATOM 818 N VAL A 53 -1.843 -5.840 13.266 1.00 0.00 N ATOM 819 CA VAL A 53 -1.396 -4.937 12.211 1.00 0.00 C ATOM 820 C VAL A 53 0.098 -4.662 12.319 1.00 0.00 C ATOM 821 O VAL A 53 0.683 -4.770 13.397 1.00 0.00 O ATOM 822 CB VAL A 53 -2.166 -3.606 12.286 1.00 0.00 C ATOM 823 CG1 VAL A 53 -3.666 -3.855 12.227 1.00 0.00 C ATOM 824 CG2 VAL A 53 -1.792 -2.861 13.558 1.00 0.00 C ATOM 0 H VAL A 53 -1.420 -5.665 14.177 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.594 -5.421 11.254 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.892 -2.990 11.429 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.195 -2.904 12.281 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.915 -4.356 11.292 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.964 -4.484 13.066 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.341 -1.920 13.604 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.045 -3.471 14.425 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.721 -2.657 13.558 1.00 0.00 H new ATOM 834 N SER A 54 0.712 -4.306 11.195 1.00 0.00 N ATOM 835 CA SER A 54 2.102 -3.865 11.188 1.00 0.00 C ATOM 836 C SER A 54 2.208 -2.386 10.839 1.00 0.00 C ATOM 837 O SER A 54 2.087 -2.003 9.675 1.00 0.00 O ATOM 838 CB SER A 54 2.905 -4.687 10.198 1.00 0.00 C ATOM 839 OG SER A 54 4.202 -4.178 10.058 1.00 0.00 O ATOM 0 H SER A 54 0.268 -4.314 10.277 1.00 0.00 H new ATOM 0 HA SER A 54 2.507 -4.010 12.190 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.951 -5.723 10.533 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.404 -4.688 9.230 1.00 0.00 H new ATOM 0 HG SER A 54 4.638 -4.600 9.289 1.00 0.00 H new ATOM 845 N GLN A 55 2.435 -1.559 11.853 1.00 0.00 N ATOM 846 CA GLN A 55 2.449 -0.112 11.674 1.00 0.00 C ATOM 847 C GLN A 55 3.847 0.386 11.330 1.00 0.00 C ATOM 848 O GLN A 55 4.838 -0.084 11.888 1.00 0.00 O ATOM 849 CB GLN A 55 1.940 0.589 12.935 1.00 0.00 C ATOM 850 CG GLN A 55 0.553 0.149 13.376 1.00 0.00 C ATOM 851 CD GLN A 55 0.065 0.910 14.594 1.00 0.00 C ATOM 852 OE1 GLN A 55 0.708 1.858 15.051 1.00 0.00 O ATOM 853 NE2 GLN A 55 -1.079 0.498 15.128 1.00 0.00 N ATOM 0 H GLN A 55 2.612 -1.866 12.809 1.00 0.00 H new ATOM 0 HA GLN A 55 1.786 0.127 10.843 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.643 0.406 13.748 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.929 1.665 12.760 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.149 0.294 12.555 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.567 -0.918 13.599 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.579 -0.291 14.718 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.458 0.971 15.949 1.00 0.00 H new ATOM 862 N GLY A 56 3.919 1.340 10.408 1.00 0.00 N ATOM 863 CA GLY A 56 5.198 1.892 9.976 1.00 0.00 C ATOM 864 C GLY A 56 5.011 3.237 9.287 1.00 0.00 C ATOM 865 O GLY A 56 3.887 3.713 9.125 1.00 0.00 O ATOM 0 H GLY A 56 3.106 1.747 9.945 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.856 2.010 10.837 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.686 1.196 9.294 1.00 0.00 H new ATOM 869 N GLY A 57 6.120 3.848 8.881 1.00 0.00 N ATOM 870 CA GLY A 57 6.084 5.161 8.249 1.00 0.00 C ATOM 871 C GLY A 57 6.819 6.197 9.091 1.00 0.00 C ATOM 872 O GLY A 57 6.590 7.399 8.951 1.00 0.00 O ATOM 0 H GLY A 57 7.056 3.453 8.979 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.538 5.104 7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.049 5.471 8.107 1.00 0.00 H new ATOM 876 N CYS A 58 7.702 5.725 9.964 1.00 0.00 N ATOM 877 CA CYS A 58 8.432 6.605 10.867 1.00 0.00 C ATOM 878 C CYS A 58 9.924 6.598 10.556 1.00 0.00 C ATOM 879 O CYS A 58 10.498 5.555 10.246 1.00 0.00 O ATOM 880 CB CYS A 58 8.218 6.182 12.321 1.00 0.00 C ATOM 881 SG CYS A 58 6.501 6.303 12.879 1.00 0.00 S ATOM 0 H CYS A 58 7.929 4.736 10.065 1.00 0.00 H new ATOM 0 HA CYS A 58 8.047 7.614 10.722 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.557 5.153 12.443 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.843 6.802 12.964 1.00 0.00 H new ATOM 0 HG CYS A 58 5.980 5.114 12.939 1.00 0.00 H new ATOM 887 N PRO A 59 10.546 7.769 10.642 1.00 0.00 N ATOM 888 CA PRO A 59 11.962 7.908 10.328 1.00 0.00 C ATOM 889 C PRO A 59 12.834 7.393 11.466 1.00 0.00 C ATOM 890 O PRO A 59 14.008 7.080 11.270 1.00 0.00 O ATOM 891 CB PRO A 59 12.125 9.419 10.130 1.00 0.00 C ATOM 892 CG PRO A 59 11.097 10.017 11.028 1.00 0.00 C ATOM 893 CD PRO A 59 9.921 9.082 10.926 1.00 0.00 C ATOM 0 HA PRO A 59 12.269 7.330 9.456 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.129 9.750 10.397 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.961 9.705 9.091 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.459 10.090 12.054 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.831 11.026 10.712 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.344 9.060 11.851 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.238 9.382 10.131 1.00 0.00 H new ATOM 901 N ARG A 60 12.252 7.309 12.658 1.00 0.00 N ATOM 902 CA ARG A 60 12.992 6.900 13.845 1.00 0.00 C ATOM 903 C ARG A 60 12.398 5.640 14.460 1.00 0.00 C ATOM 904 O ARG A 60 13.061 4.936 15.220 1.00 0.00 O ATOM 905 CB ARG A 60 12.997 8.014 14.883 1.00 0.00 C ATOM 906 CG ARG A 60 13.658 9.306 14.431 1.00 0.00 C ATOM 907 CD ARG A 60 13.660 10.329 15.509 1.00 0.00 C ATOM 908 NE ARG A 60 14.222 11.591 15.058 1.00 0.00 N ATOM 909 CZ ARG A 60 14.314 12.702 15.816 1.00 0.00 C ATOM 910 NH1 ARG A 60 13.877 12.689 17.056 1.00 0.00 N ATOM 911 NH2 ARG A 60 14.842 13.803 15.313 1.00 0.00 N ATOM 0 H ARG A 60 11.268 7.519 12.827 1.00 0.00 H new ATOM 0 HA ARG A 60 14.015 6.689 13.535 1.00 0.00 H new ATOM 0 HB2 ARG A 60 11.967 8.230 15.168 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.507 7.655 15.777 1.00 0.00 H new ATOM 0 HG2 ARG A 60 14.683 9.101 14.122 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.134 9.697 13.559 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.640 10.490 15.858 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.234 9.959 16.359 1.00 0.00 H new ATOM 0 HE ARG A 60 14.571 11.640 14.101 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.469 11.839 17.444 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.946 13.529 17.630 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.180 13.813 14.351 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.911 14.643 15.887 1.00 0.00 H new ATOM 925 N GLY A 61 11.142 5.361 14.125 1.00 0.00 N ATOM 926 CA GLY A 61 10.440 4.209 14.678 1.00 0.00 C ATOM 927 C GLY A 61 9.929 4.498 16.083 1.00 0.00 C ATOM 928 O GLY A 61 9.799 3.591 16.905 1.00 0.00 O ATOM 0 H GLY A 61 10.590 5.918 13.473 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.603 3.945 14.031 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.109 3.349 14.701 1.00 0.00 H new ATOM 932 N ASN A 62 9.640 5.766 16.353 1.00 0.00 N ATOM 933 CA ASN A 62 9.227 6.191 17.685 1.00 0.00 C ATOM 934 C ASN A 62 7.728 6.458 17.738 1.00 0.00 C ATOM 935 O ASN A 62 7.209 6.944 18.743 1.00 0.00 O ATOM 936 CB ASN A 62 10.004 7.421 18.119 1.00 0.00 C ATOM 937 CG ASN A 62 9.719 8.617 17.254 1.00 0.00 C ATOM 938 OD1 ASN A 62 8.980 8.525 16.267 1.00 0.00 O ATOM 939 ND2 ASN A 62 10.291 9.741 17.607 1.00 0.00 N ATOM 0 H ASN A 62 9.684 6.519 15.666 1.00 0.00 H new ATOM 0 HA ASN A 62 9.448 5.380 18.378 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.755 7.657 19.154 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.071 7.202 18.090 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.134 10.587 17.059 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.893 9.770 18.430 1.00 0.00 H new ATOM 946 N GLY A 63 7.037 6.136 16.650 1.00 0.00 N ATOM 947 CA GLY A 63 5.587 6.275 16.596 1.00 0.00 C ATOM 948 C GLY A 63 5.184 7.603 15.966 1.00 0.00 C ATOM 949 O GLY A 63 4.001 7.863 15.747 1.00 0.00 O ATOM 0 H GLY A 63 7.458 5.777 15.793 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.161 5.453 16.021 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.175 6.207 17.603 1.00 0.00 H new ATOM 953 N THR A 64 6.174 8.439 15.677 1.00 0.00 N ATOM 954 CA THR A 64 5.929 9.727 15.039 1.00 0.00 C ATOM 955 C THR A 64 6.498 9.758 13.626 1.00 0.00 C ATOM 956 O THR A 64 7.698 9.579 13.426 1.00 0.00 O ATOM 957 CB THR A 64 6.530 10.879 15.863 1.00 0.00 C ATOM 958 OG1 THR A 64 5.931 10.902 17.166 1.00 0.00 O ATOM 959 CG2 THR A 64 6.287 12.213 15.174 1.00 0.00 C ATOM 0 H THR A 64 7.156 8.248 15.875 1.00 0.00 H new ATOM 0 HA THR A 64 4.848 9.859 14.986 1.00 0.00 H new ATOM 0 HB THR A 64 7.604 10.719 15.952 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.316 11.635 17.690 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.719 13.015 15.772 1.00 0.00 H new ATOM 0 HG22 THR A 64 6.753 12.204 14.188 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.215 12.377 15.067 1.00 0.00 H new ATOM 967 N GLY A 65 5.627 9.986 12.648 1.00 0.00 N ATOM 968 CA GLY A 65 6.035 10.009 11.249 1.00 0.00 C ATOM 969 C GLY A 65 6.762 11.304 10.909 1.00 0.00 C ATOM 970 O GLY A 65 6.847 12.214 11.733 1.00 0.00 O ATOM 0 H GLY A 65 4.633 10.158 12.800 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.685 9.159 11.043 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.159 9.902 10.610 1.00 0.00 H new ATOM 974 N ASP A 66 7.285 11.380 9.690 1.00 0.00 N ATOM 975 CA ASP A 66 8.020 12.557 9.244 1.00 0.00 C ATOM 976 C ASP A 66 7.173 13.418 8.316 1.00 0.00 C ATOM 977 O ASP A 66 7.696 14.099 7.435 1.00 0.00 O ATOM 978 CB ASP A 66 9.310 12.145 8.530 1.00 0.00 C ATOM 979 CG ASP A 66 10.426 13.170 8.683 1.00 0.00 C ATOM 980 OD1 ASP A 66 10.276 14.069 9.476 1.00 0.00 O ATOM 981 OD2 ASP A 66 11.417 13.045 8.004 1.00 0.00 O ATOM 0 H ASP A 66 7.213 10.639 8.993 1.00 0.00 H new ATOM 0 HA ASP A 66 8.270 13.144 10.128 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.647 11.187 8.925 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.102 11.998 7.470 1.00 0.00 H new ATOM 986 N ALA A 67 5.860 13.383 8.520 1.00 0.00 N ATOM 987 CA ALA A 67 4.939 14.181 7.719 1.00 0.00 C ATOM 988 C ALA A 67 5.134 15.669 7.976 1.00 0.00 C ATOM 989 O ALA A 67 5.271 16.457 7.041 1.00 0.00 O ATOM 990 CB ALA A 67 3.500 13.778 8.009 1.00 0.00 C ATOM 0 H ALA A 67 5.410 12.810 9.234 1.00 0.00 H new ATOM 0 HA ALA A 67 5.154 13.990 6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.824 14.382 7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.361 12.725 7.766 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.283 13.938 9.065 1.00 0.00 H new ATOM 996 N GLY A 68 5.146 16.049 9.249 1.00 0.00 N ATOM 997 CA GLY A 68 5.352 17.441 9.633 1.00 0.00 C ATOM 998 C GLY A 68 4.043 18.218 9.610 1.00 0.00 C ATOM 999 O GLY A 68 4.013 19.411 9.918 1.00 0.00 O ATOM 0 H GLY A 68 5.015 15.411 10.034 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.787 17.485 10.632 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.066 17.906 8.954 1.00 0.00 H new ATOM 1003 N TYR A 69 2.963 17.539 9.242 1.00 0.00 N ATOM 1004 CA TYR A 69 1.655 18.175 9.141 1.00 0.00 C ATOM 1005 C TYR A 69 0.559 17.146 8.892 1.00 0.00 C ATOM 1006 O TYR A 69 0.836 15.957 8.734 1.00 0.00 O ATOM 1007 CB TYR A 69 1.657 19.227 8.029 1.00 0.00 C ATOM 1008 CG TYR A 69 2.265 18.743 6.732 1.00 0.00 C ATOM 1009 CD1 TYR A 69 1.545 17.897 5.901 1.00 0.00 C ATOM 1010 CD2 TYR A 69 3.543 19.145 6.372 1.00 0.00 C ATOM 1011 CE1 TYR A 69 2.100 17.455 4.715 1.00 0.00 C ATOM 1012 CE2 TYR A 69 4.098 18.703 5.187 1.00 0.00 C ATOM 1013 CZ TYR A 69 3.381 17.862 4.361 1.00 0.00 C ATOM 1014 OH TYR A 69 3.936 17.422 3.180 1.00 0.00 O ATOM 0 H TYR A 69 2.967 16.546 9.008 1.00 0.00 H new ATOM 0 HA TYR A 69 1.447 18.666 10.092 1.00 0.00 H new ATOM 0 HB2 TYR A 69 0.632 19.546 7.842 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.206 20.104 8.372 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.550 17.584 6.181 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.104 19.804 7.018 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.541 16.797 4.066 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.093 19.016 4.907 1.00 0.00 H new ATOM 0 HH TYR A 69 4.835 17.799 3.081 1.00 0.00 H new ATOM 1024 N THR A 70 -0.684 17.610 8.859 1.00 0.00 N ATOM 1025 CA THR A 70 -1.824 16.732 8.625 1.00 0.00 C ATOM 1026 C THR A 70 -2.172 16.662 7.143 1.00 0.00 C ATOM 1027 O THR A 70 -2.167 17.678 6.447 1.00 0.00 O ATOM 1028 CB THR A 70 -3.057 17.197 9.424 1.00 0.00 C ATOM 1029 OG1 THR A 70 -2.765 17.148 10.827 1.00 0.00 O ATOM 1030 CG2 THR A 70 -4.252 16.306 9.126 1.00 0.00 C ATOM 0 H THR A 70 -0.929 18.591 8.992 1.00 0.00 H new ATOM 0 HA THR A 70 -1.538 15.737 8.965 1.00 0.00 H new ATOM 0 HB THR A 70 -3.298 18.219 9.131 1.00 0.00 H new ATOM 0 HG1 THR A 70 -3.549 17.445 11.335 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.114 16.649 9.699 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.483 16.351 8.062 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.018 15.278 9.404 1.00 0.00 H new ATOM 1038 N ILE A 71 -2.473 15.459 6.666 1.00 0.00 N ATOM 1039 CA ILE A 71 -2.890 15.266 5.283 1.00 0.00 C ATOM 1040 C ILE A 71 -4.293 14.678 5.208 1.00 0.00 C ATOM 1041 O ILE A 71 -4.760 14.040 6.152 1.00 0.00 O ATOM 1042 CB ILE A 71 -1.906 14.346 4.536 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -1.888 12.955 5.174 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -0.511 14.951 4.530 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -1.134 11.922 4.368 1.00 0.00 C ATOM 0 H ILE A 71 -2.436 14.602 7.218 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.894 16.246 4.805 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.240 14.247 3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.440 13.026 6.165 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.915 12.616 5.312 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.171 14.288 3.998 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.537 15.920 4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.166 15.080 5.556 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.166 10.963 4.885 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.594 11.820 3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.097 12.237 4.252 1.00 0.00 H new ATOM 1057 N PRO A 72 -4.961 14.897 4.081 1.00 0.00 N ATOM 1058 CA PRO A 72 -6.333 14.434 3.901 1.00 0.00 C ATOM 1059 C PRO A 72 -6.374 12.941 3.607 1.00 0.00 C ATOM 1060 O PRO A 72 -5.533 12.418 2.876 1.00 0.00 O ATOM 1061 CB PRO A 72 -6.821 15.259 2.705 1.00 0.00 C ATOM 1062 CG PRO A 72 -5.588 15.511 1.908 1.00 0.00 C ATOM 1063 CD PRO A 72 -4.510 15.724 2.938 1.00 0.00 C ATOM 0 HA PRO A 72 -6.953 14.565 4.788 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.567 14.716 2.124 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.285 16.191 3.027 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.356 14.667 1.259 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.702 16.385 1.266 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.535 15.405 2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.419 16.775 3.213 1.00 0.00 H new ATOM 1071 N CYS A 73 -7.359 12.257 4.180 1.00 0.00 N ATOM 1072 CA CYS A 73 -7.625 10.865 3.839 1.00 0.00 C ATOM 1073 C CYS A 73 -9.092 10.653 3.491 1.00 0.00 C ATOM 1074 O CYS A 73 -9.979 11.235 4.116 1.00 0.00 O ATOM 1075 CB CYS A 73 -7.244 9.944 5.000 1.00 0.00 C ATOM 1076 SG CYS A 73 -5.485 9.980 5.424 1.00 0.00 S ATOM 0 H CYS A 73 -7.987 12.645 4.884 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.018 10.621 2.967 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -7.824 10.225 5.879 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -7.525 8.922 4.746 1.00 0.00 H new ATOM 0 HG CYS A 73 -4.876 10.851 4.675 1.00 0.00 H new ATOM 1082 N GLU A 74 -9.344 9.816 2.490 1.00 0.00 N ATOM 1083 CA GLU A 74 -10.688 9.643 1.954 1.00 0.00 C ATOM 1084 C GLU A 74 -11.301 8.327 2.419 1.00 0.00 C ATOM 1085 O GLU A 74 -10.762 7.253 2.153 1.00 0.00 O ATOM 1086 CB GLU A 74 -10.664 9.694 0.425 1.00 0.00 C ATOM 1087 CG GLU A 74 -12.029 9.544 -0.231 1.00 0.00 C ATOM 1088 CD GLU A 74 -12.987 10.637 0.158 1.00 0.00 C ATOM 1089 OE1 GLU A 74 -12.712 11.775 -0.137 1.00 0.00 O ATOM 1090 OE2 GLU A 74 -13.995 10.331 0.750 1.00 0.00 O ATOM 0 H GLU A 74 -8.632 9.246 2.033 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.304 10.460 2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.226 10.642 0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.009 8.904 0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.908 9.542 -1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.455 8.579 0.044 1.00 0.00 H new ATOM 1097 N THR A 75 -12.430 8.419 3.112 1.00 0.00 N ATOM 1098 CA THR A 75 -13.101 7.239 3.643 1.00 0.00 C ATOM 1099 C THR A 75 -14.275 6.829 2.764 1.00 0.00 C ATOM 1100 O THR A 75 -14.778 5.710 2.866 1.00 0.00 O ATOM 1101 CB THR A 75 -13.593 7.481 5.082 1.00 0.00 C ATOM 1102 OG1 THR A 75 -14.553 8.545 5.089 1.00 0.00 O ATOM 1103 CG2 THR A 75 -12.429 7.849 5.989 1.00 0.00 C ATOM 0 H THR A 75 -12.900 9.300 3.319 1.00 0.00 H new ATOM 0 HA THR A 75 -12.370 6.430 3.651 1.00 0.00 H new ATOM 0 HB THR A 75 -14.053 6.564 5.451 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.866 8.697 6.005 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.796 8.016 7.002 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.702 7.037 5.996 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.954 8.758 5.620 1.00 0.00 H new ATOM 1111 N ASP A 76 -14.706 7.740 1.899 1.00 0.00 N ATOM 1112 CA ASP A 76 -15.873 7.506 1.058 1.00 0.00 C ATOM 1113 C ASP A 76 -15.465 7.185 -0.374 1.00 0.00 C ATOM 1114 O ASP A 76 -14.422 7.636 -0.849 1.00 0.00 O ATOM 1115 CB ASP A 76 -16.797 8.727 1.070 1.00 0.00 C ATOM 1116 CG ASP A 76 -17.336 9.048 2.457 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -17.843 8.158 3.097 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -17.236 10.182 2.863 1.00 0.00 O ATOM 0 H ASP A 76 -14.264 8.649 1.762 1.00 0.00 H new ATOM 0 HA ASP A 76 -16.407 6.648 1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -16.254 9.591 0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -17.633 8.551 0.393 1.00 0.00 H new ATOM 1123 N ASN A 77 -16.294 6.403 -1.058 1.00 0.00 N ATOM 1124 CA ASN A 77 -17.557 5.945 -0.494 1.00 0.00 C ATOM 1125 C ASN A 77 -17.443 4.517 0.025 1.00 0.00 C ATOM 1126 O ASN A 77 -18.248 4.078 0.846 1.00 0.00 O ATOM 1127 CB ASN A 77 -18.670 6.053 -1.519 1.00 0.00 C ATOM 1128 CG ASN A 77 -18.991 7.478 -1.876 1.00 0.00 C ATOM 1129 OD1 ASN A 77 -19.579 8.213 -1.074 1.00 0.00 O ATOM 1130 ND2 ASN A 77 -18.618 7.881 -3.063 1.00 0.00 N ATOM 0 H ASN A 77 -16.112 6.073 -2.006 1.00 0.00 H new ATOM 0 HA ASN A 77 -17.800 6.590 0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -18.382 5.512 -2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -19.566 5.569 -1.130 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -18.810 8.838 -3.360 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -18.135 7.239 -3.691 1.00 0.00 H new ATOM 1137 N ASN A 78 -16.438 3.795 -0.460 1.00 0.00 N ATOM 1138 CA ASN A 78 -16.341 2.360 -0.221 1.00 0.00 C ATOM 1139 C ASN A 78 -15.841 2.068 1.188 1.00 0.00 C ATOM 1140 O ASN A 78 -14.788 2.556 1.597 1.00 0.00 O ATOM 1141 CB ASN A 78 -15.439 1.708 -1.254 1.00 0.00 C ATOM 1142 CG ASN A 78 -16.067 1.657 -2.619 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -17.296 1.658 -2.750 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -15.246 1.611 -3.637 1.00 0.00 N ATOM 0 H ASN A 78 -15.679 4.181 -1.021 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.341 1.936 -0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.500 2.259 -1.310 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -15.196 0.695 -0.932 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -15.614 1.574 -4.588 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -14.238 1.612 -3.480 1.00 0.00 H new ATOM 1151 N PRO A 79 -16.604 1.270 1.927 1.00 0.00 N ATOM 1152 CA PRO A 79 -16.187 0.821 3.250 1.00 0.00 C ATOM 1153 C PRO A 79 -14.822 0.146 3.198 1.00 0.00 C ATOM 1154 O PRO A 79 -14.404 -0.350 2.152 1.00 0.00 O ATOM 1155 CB PRO A 79 -17.290 -0.166 3.643 1.00 0.00 C ATOM 1156 CG PRO A 79 -18.479 0.283 2.863 1.00 0.00 C ATOM 1157 CD PRO A 79 -17.911 0.726 1.539 1.00 0.00 C ATOM 0 HA PRO A 79 -16.072 1.635 3.965 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -17.014 -1.191 3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.484 -0.140 4.715 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -19.200 -0.525 2.736 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -18.999 1.098 3.365 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -17.815 -0.104 0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -18.538 1.477 1.058 1.00 0.00 H new ATOM 1165 N HIS A 80 -14.132 0.133 4.333 1.00 0.00 N ATOM 1166 CA HIS A 80 -12.788 -0.428 4.405 1.00 0.00 C ATOM 1167 C HIS A 80 -12.724 -1.580 5.400 1.00 0.00 C ATOM 1168 O HIS A 80 -12.642 -1.365 6.608 1.00 0.00 O ATOM 1169 CB HIS A 80 -11.772 0.650 4.797 1.00 0.00 C ATOM 1170 CG HIS A 80 -11.769 1.836 3.883 1.00 0.00 C ATOM 1171 ND1 HIS A 80 -11.314 1.771 2.583 1.00 0.00 N ATOM 1172 CD2 HIS A 80 -12.165 3.115 4.081 1.00 0.00 C ATOM 1173 CE1 HIS A 80 -11.431 2.962 2.020 1.00 0.00 C ATOM 1174 NE2 HIS A 80 -11.945 3.793 2.908 1.00 0.00 N ATOM 0 H HIS A 80 -14.481 0.505 5.216 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.539 -0.810 3.415 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -11.985 0.985 5.812 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.775 0.210 4.809 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -10.945 0.936 2.127 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -12.577 3.525 4.991 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.153 3.212 1.007 1.00 0.00 H new ATOM 1181 N ARG A 81 -12.761 -2.804 4.883 1.00 0.00 N ATOM 1182 CA ARG A 81 -12.944 -3.983 5.721 1.00 0.00 C ATOM 1183 C ARG A 81 -11.711 -4.250 6.574 1.00 0.00 C ATOM 1184 O ARG A 81 -11.810 -4.797 7.673 1.00 0.00 O ATOM 1185 CB ARG A 81 -13.239 -5.207 4.865 1.00 0.00 C ATOM 1186 CG ARG A 81 -14.606 -5.208 4.202 1.00 0.00 C ATOM 1187 CD ARG A 81 -14.788 -6.390 3.321 1.00 0.00 C ATOM 1188 NE ARG A 81 -16.092 -6.392 2.677 1.00 0.00 N ATOM 1189 CZ ARG A 81 -16.465 -7.247 1.705 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -15.623 -8.162 1.277 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -17.675 -7.166 1.182 1.00 0.00 N ATOM 0 H ARG A 81 -12.667 -3.005 3.887 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.790 -3.788 6.380 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.476 -5.284 4.091 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.152 -6.097 5.488 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.382 -5.202 4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.728 -4.296 3.617 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.008 -6.399 2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.672 -7.301 3.908 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.773 -5.697 2.983 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.688 -8.224 1.681 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -15.905 -8.810 0.541 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.328 -6.456 1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.957 -7.814 0.446 1.00 0.00 H new ATOM 1205 N HIS A 82 -10.548 -3.859 6.062 1.00 0.00 N ATOM 1206 CA HIS A 82 -9.282 -4.166 6.717 1.00 0.00 C ATOM 1207 C HIS A 82 -9.128 -5.665 6.943 1.00 0.00 C ATOM 1208 O HIS A 82 -9.251 -6.147 8.069 1.00 0.00 O ATOM 1209 CB HIS A 82 -9.171 -3.427 8.054 1.00 0.00 C ATOM 1210 CG HIS A 82 -9.015 -1.945 7.911 1.00 0.00 C ATOM 1211 ND1 HIS A 82 -10.081 -1.105 7.669 1.00 0.00 N ATOM 1212 CD2 HIS A 82 -7.918 -1.154 7.976 1.00 0.00 C ATOM 1213 CE1 HIS A 82 -9.648 0.141 7.592 1.00 0.00 C ATOM 1214 NE2 HIS A 82 -8.340 0.139 7.773 1.00 0.00 N ATOM 0 H HIS A 82 -10.457 -3.329 5.195 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.481 -3.831 6.058 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -10.061 -3.634 8.649 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.319 -3.821 8.607 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -11.052 -1.399 7.566 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.903 -1.477 8.154 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.260 1.013 7.412 1.00 0.00 H new ATOM 1221 N VAL A 83 -8.857 -6.396 5.868 1.00 0.00 N ATOM 1222 CA VAL A 83 -8.717 -7.845 5.942 1.00 0.00 C ATOM 1223 C VAL A 83 -7.257 -8.265 5.824 1.00 0.00 C ATOM 1224 O VAL A 83 -6.372 -7.425 5.655 1.00 0.00 O ATOM 1225 CB VAL A 83 -9.534 -8.520 4.825 1.00 0.00 C ATOM 1226 CG1 VAL A 83 -11.010 -8.181 4.967 1.00 0.00 C ATOM 1227 CG2 VAL A 83 -9.009 -8.085 3.465 1.00 0.00 C ATOM 0 H VAL A 83 -8.730 -6.008 4.933 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.094 -8.164 6.914 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.426 -9.601 4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.573 -8.666 4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.373 -8.532 5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.143 -7.101 4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.591 -8.566 2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.097 -7.003 3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.962 -8.374 3.370 1.00 0.00 H new ATOM 1237 N THR A 84 -7.012 -9.567 5.911 1.00 0.00 N ATOM 1238 CA THR A 84 -5.660 -10.102 5.789 1.00 0.00 C ATOM 1239 C THR A 84 -5.008 -9.658 4.487 1.00 0.00 C ATOM 1240 O THR A 84 -5.504 -9.957 3.399 1.00 0.00 O ATOM 1241 CB THR A 84 -5.665 -11.641 5.867 1.00 0.00 C ATOM 1242 OG1 THR A 84 -6.195 -12.055 7.133 1.00 0.00 O ATOM 1243 CG2 THR A 84 -4.254 -12.186 5.709 1.00 0.00 C ATOM 0 H THR A 84 -7.732 -10.273 6.066 1.00 0.00 H new ATOM 0 HA THR A 84 -5.080 -9.708 6.623 1.00 0.00 H new ATOM 0 HB THR A 84 -6.286 -12.030 5.060 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.557 -11.832 7.843 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.276 -13.274 5.767 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.853 -11.882 4.742 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.621 -11.793 6.505 1.00 0.00 H new ATOM 1251 N GLY A 85 -3.895 -8.944 4.602 1.00 0.00 N ATOM 1252 CA GLY A 85 -3.128 -8.525 3.435 1.00 0.00 C ATOM 1253 C GLY A 85 -3.423 -7.075 3.073 1.00 0.00 C ATOM 1254 O GLY A 85 -2.670 -6.444 2.331 1.00 0.00 O ATOM 0 H GLY A 85 -3.502 -8.642 5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.063 -8.643 3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.367 -9.170 2.589 1.00 0.00 H new ATOM 1258 N ALA A 86 -4.524 -6.551 3.601 1.00 0.00 N ATOM 1259 CA ALA A 86 -4.944 -5.187 3.300 1.00 0.00 C ATOM 1260 C ALA A 86 -3.912 -4.175 3.777 1.00 0.00 C ATOM 1261 O ALA A 86 -3.232 -4.391 4.780 1.00 0.00 O ATOM 1262 CB ALA A 86 -6.298 -4.899 3.932 1.00 0.00 C ATOM 0 H ALA A 86 -5.142 -7.051 4.240 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.032 -5.093 2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.598 -3.877 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.039 -5.594 3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.228 -5.019 5.013 1.00 0.00 H new ATOM 1268 N MET A 87 -3.798 -3.068 3.051 1.00 0.00 N ATOM 1269 CA MET A 87 -2.904 -1.984 3.442 1.00 0.00 C ATOM 1270 C MET A 87 -3.671 -0.684 3.648 1.00 0.00 C ATOM 1271 O MET A 87 -4.411 -0.243 2.769 1.00 0.00 O ATOM 1272 CB MET A 87 -1.811 -1.797 2.392 1.00 0.00 C ATOM 1273 CG MET A 87 -0.905 -3.005 2.203 1.00 0.00 C ATOM 1274 SD MET A 87 0.453 -2.686 1.059 1.00 0.00 S ATOM 1275 CE MET A 87 1.421 -1.512 2.002 1.00 0.00 C ATOM 0 H MET A 87 -4.314 -2.898 2.188 1.00 0.00 H new ATOM 0 HA MET A 87 -2.440 -2.253 4.391 1.00 0.00 H new ATOM 0 HB2 MET A 87 -2.279 -1.557 1.437 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.199 -0.940 2.672 1.00 0.00 H new ATOM 0 HG2 MET A 87 -0.498 -3.303 3.169 1.00 0.00 H new ATOM 0 HG3 MET A 87 -1.496 -3.843 1.834 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.437 -0.554 1.483 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.976 -1.383 2.989 1.00 0.00 H new ATOM 0 HE3 MET A 87 2.440 -1.884 2.110 1.00 0.00 H new ATOM 1285 N SER A 88 -3.489 -0.074 4.814 1.00 0.00 N ATOM 1286 CA SER A 88 -4.324 1.046 5.232 1.00 0.00 C ATOM 1287 C SER A 88 -3.484 2.160 5.844 1.00 0.00 C ATOM 1288 O SER A 88 -2.560 1.901 6.615 1.00 0.00 O ATOM 1289 CB SER A 88 -5.366 0.579 6.229 1.00 0.00 C ATOM 1290 OG SER A 88 -6.113 1.659 6.717 1.00 0.00 O ATOM 0 H SER A 88 -2.769 -0.337 5.487 1.00 0.00 H new ATOM 0 HA SER A 88 -4.824 1.441 4.347 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.031 -0.143 5.755 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.878 0.066 7.058 1.00 0.00 H new ATOM 0 HG SER A 88 -6.939 1.327 7.127 1.00 0.00 H new ATOM 1296 N MET A 89 -3.810 3.400 5.496 1.00 0.00 N ATOM 1297 CA MET A 89 -3.162 4.561 6.096 1.00 0.00 C ATOM 1298 C MET A 89 -3.905 5.024 7.341 1.00 0.00 C ATOM 1299 O MET A 89 -5.132 4.937 7.413 1.00 0.00 O ATOM 1300 CB MET A 89 -3.067 5.695 5.078 1.00 0.00 C ATOM 1301 CG MET A 89 -1.948 5.535 4.058 1.00 0.00 C ATOM 1302 SD MET A 89 -1.831 6.936 2.928 1.00 0.00 S ATOM 1303 CE MET A 89 -1.051 8.156 3.981 1.00 0.00 C ATOM 0 H MET A 89 -4.520 3.627 4.800 1.00 0.00 H new ATOM 0 HA MET A 89 -2.155 4.271 6.397 1.00 0.00 H new ATOM 0 HB2 MET A 89 -4.016 5.771 4.548 1.00 0.00 H new ATOM 0 HB3 MET A 89 -2.924 6.634 5.612 1.00 0.00 H new ATOM 0 HG2 MET A 89 -0.999 5.415 4.581 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.113 4.623 3.484 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.750 9.015 3.381 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.755 8.478 4.748 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.172 7.719 4.455 1.00 0.00 H new ATOM 1313 N ALA A 90 -3.157 5.516 8.322 1.00 0.00 N ATOM 1314 CA ALA A 90 -3.719 5.839 9.628 1.00 0.00 C ATOM 1315 C ALA A 90 -4.228 7.275 9.668 1.00 0.00 C ATOM 1316 O ALA A 90 -3.548 8.197 9.217 1.00 0.00 O ATOM 1317 CB ALA A 90 -2.685 5.614 10.721 1.00 0.00 C ATOM 0 H ALA A 90 -2.157 5.700 8.237 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.566 5.176 9.803 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.120 5.860 11.690 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.373 4.570 10.718 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.820 6.251 10.540 1.00 0.00 H new ATOM 1323 N HIS A 91 -5.427 7.458 10.210 1.00 0.00 N ATOM 1324 CA HIS A 91 -5.989 8.790 10.396 1.00 0.00 C ATOM 1325 C HIS A 91 -6.952 8.821 11.575 1.00 0.00 C ATOM 1326 O HIS A 91 -7.314 7.780 12.121 1.00 0.00 O ATOM 1327 CB HIS A 91 -6.711 9.255 9.128 1.00 0.00 C ATOM 1328 CG HIS A 91 -7.943 8.465 8.812 1.00 0.00 C ATOM 1329 ND1 HIS A 91 -9.120 8.611 9.515 1.00 0.00 N ATOM 1330 CD2 HIS A 91 -8.180 7.521 7.871 1.00 0.00 C ATOM 1331 CE1 HIS A 91 -10.030 7.791 9.019 1.00 0.00 C ATOM 1332 NE2 HIS A 91 -9.485 7.119 8.021 1.00 0.00 N ATOM 0 H HIS A 91 -6.029 6.699 10.529 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.162 9.469 10.605 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.982 10.305 9.239 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -6.023 9.191 8.285 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.475 7.153 7.140 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.046 7.688 9.370 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.957 6.415 7.453 1.00 0.00 H new ATOM 1339 N ARG A 92 -7.364 10.023 11.965 1.00 0.00 N ATOM 1340 CA ARG A 92 -8.282 10.193 13.085 1.00 0.00 C ATOM 1341 C ARG A 92 -9.558 10.903 12.650 1.00 0.00 C ATOM 1342 O ARG A 92 -10.106 11.721 13.387 1.00 0.00 O ATOM 1343 CB ARG A 92 -7.621 10.986 14.203 1.00 0.00 C ATOM 1344 CG ARG A 92 -6.416 10.311 14.839 1.00 0.00 C ATOM 1345 CD ARG A 92 -5.870 11.111 15.966 1.00 0.00 C ATOM 1346 NE ARG A 92 -4.712 10.474 16.572 1.00 0.00 N ATOM 1347 CZ ARG A 92 -4.082 10.922 17.675 1.00 0.00 C ATOM 1348 NH1 ARG A 92 -4.508 12.010 18.279 1.00 0.00 N ATOM 1349 NH2 ARG A 92 -3.034 10.270 18.149 1.00 0.00 N ATOM 0 H ARG A 92 -7.076 10.895 11.521 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.541 9.199 13.449 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.311 11.954 13.809 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.362 11.180 14.978 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.700 9.322 15.199 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.641 10.166 14.087 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.593 12.102 15.607 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -6.644 11.251 16.721 1.00 0.00 H new ATOM 0 HE ARG A 92 -4.351 9.628 16.131 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.315 12.514 17.912 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.031 12.350 19.114 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.702 9.427 17.679 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.557 10.610 18.984 1.00 0.00 H new ATOM 1363 N GLY A 93 -10.025 10.583 11.447 1.00 0.00 N ATOM 1364 CA GLY A 93 -11.219 11.214 10.897 1.00 0.00 C ATOM 1365 C GLY A 93 -11.042 11.535 9.420 1.00 0.00 C ATOM 1366 O GLY A 93 -9.946 11.403 8.873 1.00 0.00 O ATOM 0 H GLY A 93 -9.594 9.890 10.835 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.076 10.553 11.028 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.436 12.130 11.447 1.00 0.00 H new ATOM 1370 N ARG A 94 -12.125 11.958 8.777 1.00 0.00 N ATOM 1371 CA ARG A 94 -12.104 12.245 7.348 1.00 0.00 C ATOM 1372 C ARG A 94 -11.288 13.495 7.049 1.00 0.00 C ATOM 1373 O ARG A 94 -11.435 14.519 7.715 1.00 0.00 O ATOM 1374 CB ARG A 94 -13.520 12.428 6.818 1.00 0.00 C ATOM 1375 CG ARG A 94 -13.629 12.522 5.305 1.00 0.00 C ATOM 1376 CD ARG A 94 -15.041 12.445 4.851 1.00 0.00 C ATOM 1377 NE ARG A 94 -15.138 12.224 3.417 1.00 0.00 N ATOM 1378 CZ ARG A 94 -15.136 13.201 2.489 1.00 0.00 C ATOM 1379 NH1 ARG A 94 -15.041 14.459 2.860 1.00 0.00 N ATOM 1380 NH2 ARG A 94 -15.229 12.896 1.207 1.00 0.00 N ATOM 0 H ARG A 94 -13.029 12.110 9.224 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.638 11.395 6.850 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.131 11.593 7.161 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.942 13.333 7.255 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.188 13.459 4.966 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -13.055 11.716 4.848 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.548 11.637 5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.557 13.369 5.112 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.213 11.261 3.090 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -14.969 14.695 3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -15.039 15.199 2.158 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.302 11.920 0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -15.227 13.636 0.505 1.00 0.00 H new ATOM 1394 N ASP A 95 -10.425 13.405 6.041 1.00 0.00 N ATOM 1395 CA ASP A 95 -9.573 14.525 5.662 1.00 0.00 C ATOM 1396 C ASP A 95 -8.691 14.965 6.823 1.00 0.00 C ATOM 1397 O ASP A 95 -8.345 16.141 6.941 1.00 0.00 O ATOM 1398 CB ASP A 95 -10.420 15.706 5.180 1.00 0.00 C ATOM 1399 CG ASP A 95 -11.187 15.402 3.901 1.00 0.00 C ATOM 1400 OD1 ASP A 95 -10.580 14.943 2.961 1.00 0.00 O ATOM 1401 OD2 ASP A 95 -12.373 15.631 3.875 1.00 0.00 O ATOM 0 H ASP A 95 -10.298 12.568 5.473 1.00 0.00 H new ATOM 0 HA ASP A 95 -8.930 14.189 4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.125 15.984 5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -9.773 16.567 5.013 1.00 0.00 H new ATOM 1406 N THR A 96 -8.330 14.014 7.678 1.00 0.00 N ATOM 1407 CA THR A 96 -7.554 14.316 8.875 1.00 0.00 C ATOM 1408 C THR A 96 -6.727 13.114 9.313 1.00 0.00 C ATOM 1409 O THR A 96 -7.097 12.399 10.244 1.00 0.00 O ATOM 1410 CB THR A 96 -8.468 14.763 10.031 1.00 0.00 C ATOM 1411 OG1 THR A 96 -9.319 15.828 9.587 1.00 0.00 O ATOM 1412 CG2 THR A 96 -7.640 15.241 11.213 1.00 0.00 C ATOM 0 H THR A 96 -8.563 13.027 7.564 1.00 0.00 H new ATOM 0 HA THR A 96 -6.879 15.134 8.623 1.00 0.00 H new ATOM 0 HB THR A 96 -9.072 13.912 10.345 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.071 15.456 9.081 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.303 15.553 12.020 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.001 14.430 11.562 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.021 16.084 10.906 1.00 0.00 H new ATOM 1420 N GLY A 97 -5.606 12.896 8.635 1.00 0.00 N ATOM 1421 CA GLY A 97 -4.747 11.753 8.921 1.00 0.00 C ATOM 1422 C GLY A 97 -3.277 12.114 8.760 1.00 0.00 C ATOM 1423 O GLY A 97 -2.934 13.272 8.522 1.00 0.00 O ATOM 0 H GLY A 97 -5.270 13.497 7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.929 11.404 9.937 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.997 10.930 8.251 1.00 0.00 H new ATOM 1427 N SER A 98 -2.409 11.115 8.891 1.00 0.00 N ATOM 1428 CA SER A 98 -0.975 11.318 8.721 1.00 0.00 C ATOM 1429 C SER A 98 -0.427 10.458 7.590 1.00 0.00 C ATOM 1430 O SER A 98 -1.162 9.690 6.968 1.00 0.00 O ATOM 1431 CB SER A 98 -0.246 10.997 10.011 1.00 0.00 C ATOM 1432 OG SER A 98 -0.108 9.613 10.179 1.00 0.00 O ATOM 0 H SER A 98 -2.675 10.156 9.115 1.00 0.00 H new ATOM 0 HA SER A 98 -0.812 12.365 8.464 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.738 11.466 10.003 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.792 11.417 10.856 1.00 0.00 H new ATOM 0 HG SER A 98 0.452 9.433 10.963 1.00 0.00 H new ATOM 1438 N CYS A 99 0.869 10.589 7.327 1.00 0.00 N ATOM 1439 CA CYS A 99 1.523 9.809 6.284 1.00 0.00 C ATOM 1440 C CYS A 99 1.798 8.386 6.753 1.00 0.00 C ATOM 1441 O CYS A 99 2.223 7.535 5.970 1.00 0.00 O ATOM 1442 CB CYS A 99 2.838 10.465 5.865 1.00 0.00 C ATOM 1443 SG CYS A 99 2.641 12.092 5.101 1.00 0.00 S ATOM 0 H CYS A 99 1.488 11.230 7.824 1.00 0.00 H new ATOM 0 HA CYS A 99 0.847 9.774 5.429 1.00 0.00 H new ATOM 0 HB2 CYS A 99 3.479 10.562 6.742 1.00 0.00 H new ATOM 0 HB3 CYS A 99 3.353 9.807 5.165 1.00 0.00 H new ATOM 0 HG CYS A 99 3.809 12.566 4.783 1.00 0.00 H new ATOM 1449 N GLN A 100 1.553 8.132 8.034 1.00 0.00 N ATOM 1450 CA GLN A 100 1.786 6.814 8.612 1.00 0.00 C ATOM 1451 C GLN A 100 0.774 5.800 8.096 1.00 0.00 C ATOM 1452 O GLN A 100 -0.368 6.145 7.795 1.00 0.00 O ATOM 1453 CB GLN A 100 1.725 6.881 10.140 1.00 0.00 C ATOM 1454 CG GLN A 100 2.780 7.778 10.766 1.00 0.00 C ATOM 1455 CD GLN A 100 2.454 8.140 12.202 1.00 0.00 C ATOM 1456 OE1 GLN A 100 1.524 8.909 12.467 1.00 0.00 O ATOM 1457 NE2 GLN A 100 3.216 7.589 13.139 1.00 0.00 N ATOM 0 H GLN A 100 1.193 8.823 8.692 1.00 0.00 H new ATOM 0 HA GLN A 100 2.781 6.489 8.309 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.739 7.236 10.438 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.836 5.874 10.542 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.747 7.276 10.731 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.873 8.690 10.177 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.974 6.959 12.875 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.044 7.795 14.123 1.00 0.00 H new ATOM 1466 N PHE A 101 1.199 4.545 7.996 1.00 0.00 N ATOM 1467 CA PHE A 101 0.336 3.480 7.500 1.00 0.00 C ATOM 1468 C PHE A 101 0.562 2.185 8.268 1.00 0.00 C ATOM 1469 O PHE A 101 1.430 2.111 9.139 1.00 0.00 O ATOM 1470 CB PHE A 101 0.581 3.243 6.009 1.00 0.00 C ATOM 1471 CG PHE A 101 1.921 2.636 5.704 1.00 0.00 C ATOM 1472 CD1 PHE A 101 3.053 3.431 5.601 1.00 0.00 C ATOM 1473 CD2 PHE A 101 2.052 1.267 5.520 1.00 0.00 C ATOM 1474 CE1 PHE A 101 4.285 2.874 5.320 1.00 0.00 C ATOM 1475 CE2 PHE A 101 3.284 0.707 5.239 1.00 0.00 C ATOM 1476 CZ PHE A 101 4.400 1.511 5.140 1.00 0.00 C ATOM 0 H PHE A 101 2.138 4.240 8.253 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.697 3.795 7.649 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.200 2.589 5.621 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.494 4.192 5.481 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.970 4.498 5.742 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.182 0.632 5.597 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.158 3.505 5.241 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.373 -0.360 5.097 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.363 1.074 4.922 1.00 0.00 H new ATOM 1486 N PHE A 102 -0.224 1.163 7.943 1.00 0.00 N ATOM 1487 CA PHE A 102 -0.061 -0.153 8.549 1.00 0.00 C ATOM 1488 C PHE A 102 -0.631 -1.245 7.653 1.00 0.00 C ATOM 1489 O PHE A 102 -1.578 -1.014 6.903 1.00 0.00 O ATOM 1490 CB PHE A 102 -0.744 -0.200 9.917 1.00 0.00 C ATOM 1491 CG PHE A 102 -2.225 0.049 9.863 1.00 0.00 C ATOM 1492 CD1 PHE A 102 -2.728 1.341 9.894 1.00 0.00 C ATOM 1493 CD2 PHE A 102 -3.118 -1.009 9.782 1.00 0.00 C ATOM 1494 CE1 PHE A 102 -4.088 1.572 9.846 1.00 0.00 C ATOM 1495 CE2 PHE A 102 -4.481 -0.781 9.733 1.00 0.00 C ATOM 1496 CZ PHE A 102 -4.965 0.508 9.765 1.00 0.00 C ATOM 0 H PHE A 102 -0.981 1.222 7.262 1.00 0.00 H new ATOM 0 HA PHE A 102 1.007 -0.331 8.675 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.565 -1.176 10.369 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.283 0.543 10.569 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.047 2.177 9.956 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.745 -2.022 9.757 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -4.466 2.583 9.872 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.166 -1.614 9.670 1.00 0.00 H new ATOM 0 HZ PHE A 102 -6.029 0.687 9.727 1.00 0.00 H new ATOM 1506 N ILE A 103 -0.046 -2.436 7.737 1.00 0.00 N ATOM 1507 CA ILE A 103 -0.527 -3.580 6.971 1.00 0.00 C ATOM 1508 C ILE A 103 -1.287 -4.557 7.859 1.00 0.00 C ATOM 1509 O ILE A 103 -0.785 -4.984 8.899 1.00 0.00 O ATOM 1510 CB ILE A 103 0.642 -4.311 6.284 1.00 0.00 C ATOM 1511 CG1 ILE A 103 1.450 -3.335 5.425 1.00 0.00 C ATOM 1512 CG2 ILE A 103 0.125 -5.466 5.441 1.00 0.00 C ATOM 1513 CD1 ILE A 103 2.735 -3.919 4.885 1.00 0.00 C ATOM 0 H ILE A 103 0.762 -2.634 8.328 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.206 -3.198 6.209 1.00 0.00 H new ATOM 0 HB ILE A 103 1.299 -4.716 7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.833 -3.004 4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.684 -2.451 6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.964 -5.971 4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.408 -6.171 6.078 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.552 -5.084 4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.252 -3.169 4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.373 -4.224 5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.508 -4.785 4.264 1.00 0.00 H new ATOM 1525 N VAL A 104 -2.498 -4.908 7.442 1.00 0.00 N ATOM 1526 CA VAL A 104 -3.388 -5.717 8.267 1.00 0.00 C ATOM 1527 C VAL A 104 -3.051 -7.197 8.154 1.00 0.00 C ATOM 1528 O VAL A 104 -2.924 -7.732 7.053 1.00 0.00 O ATOM 1529 CB VAL A 104 -4.854 -5.493 7.849 1.00 0.00 C ATOM 1530 CG1 VAL A 104 -5.783 -6.372 8.674 1.00 0.00 C ATOM 1531 CG2 VAL A 104 -5.219 -4.025 8.008 1.00 0.00 C ATOM 0 H VAL A 104 -2.887 -4.645 6.536 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.252 -5.407 9.303 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.969 -5.770 6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.814 -6.201 8.366 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.526 -7.420 8.518 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.674 -6.125 9.730 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.257 -3.874 7.711 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.093 -3.730 9.050 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.569 -3.418 7.378 1.00 0.00 H new ATOM 1541 N HIS A 105 -2.907 -7.856 9.299 1.00 0.00 N ATOM 1542 CA HIS A 105 -2.636 -9.287 9.331 1.00 0.00 C ATOM 1543 C HIS A 105 -3.926 -10.091 9.439 1.00 0.00 C ATOM 1544 O HIS A 105 -4.086 -11.117 8.780 1.00 0.00 O ATOM 1545 CB HIS A 105 -1.711 -9.638 10.501 1.00 0.00 C ATOM 1546 CG HIS A 105 -0.344 -9.037 10.388 1.00 0.00 C ATOM 1547 ND1 HIS A 105 0.579 -9.460 9.453 1.00 0.00 N ATOM 1548 CD2 HIS A 105 0.258 -8.049 11.090 1.00 0.00 C ATOM 1549 CE1 HIS A 105 1.689 -8.756 9.586 1.00 0.00 C ATOM 1550 NE2 HIS A 105 1.520 -7.894 10.572 1.00 0.00 N ATOM 0 H HIS A 105 -2.974 -7.420 10.219 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.142 -9.547 8.395 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -2.171 -9.301 11.430 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -1.618 -10.722 10.566 1.00 0.00 H new ATOM 0 HD1 HIS A 105 0.428 -10.200 8.767 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -0.174 -7.487 11.905 1.00 0.00 H new ATOM 0 HE1 HIS A 105 2.583 -8.867 8.990 1.00 0.00 H new ATOM 1557 N GLU A 106 -4.843 -9.616 10.274 1.00 0.00 N ATOM 1558 CA GLU A 106 -6.112 -10.303 10.489 1.00 0.00 C ATOM 1559 C GLU A 106 -7.290 -9.362 10.278 1.00 0.00 C ATOM 1560 O GLU A 106 -7.184 -8.157 10.506 1.00 0.00 O ATOM 1561 CB GLU A 106 -6.165 -10.895 11.900 1.00 0.00 C ATOM 1562 CG GLU A 106 -5.079 -11.919 12.193 1.00 0.00 C ATOM 1563 CD GLU A 106 -5.255 -13.197 11.421 1.00 0.00 C ATOM 1564 OE1 GLU A 106 -6.355 -13.696 11.378 1.00 0.00 O ATOM 1565 OE2 GLU A 106 -4.290 -13.677 10.876 1.00 0.00 O ATOM 0 H GLU A 106 -4.732 -8.758 10.814 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.183 -11.109 9.759 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.088 -10.084 12.624 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.138 -11.363 12.048 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.107 -11.488 11.955 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.076 -12.143 13.260 1.00 0.00 H new ATOM 1572 N PRO A 107 -8.414 -9.919 9.841 1.00 0.00 N ATOM 1573 CA PRO A 107 -9.619 -9.131 9.607 1.00 0.00 C ATOM 1574 C PRO A 107 -9.996 -8.322 10.839 1.00 0.00 C ATOM 1575 O PRO A 107 -10.118 -8.865 11.938 1.00 0.00 O ATOM 1576 CB PRO A 107 -10.671 -10.198 9.287 1.00 0.00 C ATOM 1577 CG PRO A 107 -9.889 -11.315 8.684 1.00 0.00 C ATOM 1578 CD PRO A 107 -8.607 -11.341 9.472 1.00 0.00 C ATOM 0 HA PRO A 107 -9.506 -8.395 8.811 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.197 -10.520 10.186 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.424 -9.820 8.595 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.423 -12.262 8.762 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -9.701 -11.142 7.624 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.687 -11.979 10.352 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.776 -11.720 8.878 1.00 0.00 H new ATOM 1586 N GLN A 108 -10.182 -7.019 10.652 1.00 0.00 N ATOM 1587 CA GLN A 108 -10.599 -6.140 11.737 1.00 0.00 C ATOM 1588 C GLN A 108 -11.684 -5.175 11.280 1.00 0.00 C ATOM 1589 O GLN A 108 -11.401 -4.029 10.928 1.00 0.00 O ATOM 1590 CB GLN A 108 -9.401 -5.359 12.284 1.00 0.00 C ATOM 1591 CG GLN A 108 -8.372 -6.217 12.999 1.00 0.00 C ATOM 1592 CD GLN A 108 -8.913 -6.825 14.279 1.00 0.00 C ATOM 1593 OE1 GLN A 108 -9.650 -6.177 15.027 1.00 0.00 O ATOM 1594 NE2 GLN A 108 -8.550 -8.076 14.538 1.00 0.00 N ATOM 0 H GLN A 108 -10.050 -6.548 9.757 1.00 0.00 H new ATOM 0 HA GLN A 108 -11.010 -6.764 12.531 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -8.914 -4.839 11.459 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.763 -4.596 12.973 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -8.042 -7.014 12.333 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.496 -5.611 13.230 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -7.939 -8.574 13.891 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -8.883 -8.539 15.384 1.00 0.00 H new ATOM 1603 N PRO A 109 -12.928 -5.644 11.286 1.00 0.00 N ATOM 1604 CA PRO A 109 -14.058 -4.822 10.871 1.00 0.00 C ATOM 1605 C PRO A 109 -14.145 -3.546 11.698 1.00 0.00 C ATOM 1606 O PRO A 109 -14.691 -2.539 11.248 1.00 0.00 O ATOM 1607 CB PRO A 109 -15.260 -5.739 11.120 1.00 0.00 C ATOM 1608 CG PRO A 109 -14.700 -7.116 11.000 1.00 0.00 C ATOM 1609 CD PRO A 109 -13.331 -7.018 11.619 1.00 0.00 C ATOM 0 HA PRO A 109 -13.989 -4.483 9.837 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -15.693 -5.570 12.106 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -16.051 -5.566 10.390 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -15.321 -7.844 11.522 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -14.644 -7.433 9.959 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -13.360 -7.182 12.696 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -12.644 -7.755 11.203 1.00 0.00 H new ATOM 1617 N HIS A 110 -13.603 -3.595 12.911 1.00 0.00 N ATOM 1618 CA HIS A 110 -13.674 -2.463 13.828 1.00 0.00 C ATOM 1619 C HIS A 110 -12.908 -1.264 13.284 1.00 0.00 C ATOM 1620 O HIS A 110 -13.150 -0.126 13.686 1.00 0.00 O ATOM 1621 CB HIS A 110 -13.122 -2.847 15.204 1.00 0.00 C ATOM 1622 CG HIS A 110 -13.940 -3.882 15.914 1.00 0.00 C ATOM 1623 ND1 HIS A 110 -15.211 -3.630 16.385 1.00 0.00 N ATOM 1624 CD2 HIS A 110 -13.669 -5.169 16.232 1.00 0.00 C ATOM 1625 CE1 HIS A 110 -15.687 -4.720 16.962 1.00 0.00 C ATOM 1626 NE2 HIS A 110 -14.770 -5.667 16.883 1.00 0.00 N ATOM 0 H HIS A 110 -13.110 -4.407 13.282 1.00 0.00 H new ATOM 0 HA HIS A 110 -14.724 -2.187 13.929 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -12.104 -3.219 15.086 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -13.065 -1.953 15.825 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -12.757 -5.704 16.014 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.660 -4.819 17.420 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -14.865 -6.615 17.247 1.00 0.00 H new ATOM 1633 N LEU A 111 -11.982 -1.526 12.367 1.00 0.00 N ATOM 1634 CA LEU A 111 -11.162 -0.472 11.784 1.00 0.00 C ATOM 1635 C LEU A 111 -11.873 0.196 10.613 1.00 0.00 C ATOM 1636 O LEU A 111 -11.441 1.240 10.126 1.00 0.00 O ATOM 1637 CB LEU A 111 -9.818 -1.044 11.314 1.00 0.00 C ATOM 1638 CG LEU A 111 -8.918 -1.617 12.416 1.00 0.00 C ATOM 1639 CD1 LEU A 111 -7.642 -2.167 11.795 1.00 0.00 C ATOM 1640 CD2 LEU A 111 -8.607 -0.531 13.435 1.00 0.00 C ATOM 0 H LEU A 111 -11.781 -2.461 12.012 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.987 0.279 12.554 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.014 -1.830 10.585 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.270 -0.257 10.795 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.430 -2.432 12.928 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.002 -2.574 12.578 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.893 -2.955 11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.115 -1.366 11.276 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.967 -0.939 14.218 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -8.095 0.295 12.942 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.536 -0.170 13.877 1.00 0.00 H new ATOM 1652 N ASP A 112 -12.965 -0.414 10.166 1.00 0.00 N ATOM 1653 CA ASP A 112 -13.759 0.140 9.075 1.00 0.00 C ATOM 1654 C ASP A 112 -14.365 1.483 9.461 1.00 0.00 C ATOM 1655 O ASP A 112 -15.297 1.548 10.261 1.00 0.00 O ATOM 1656 CB ASP A 112 -14.872 -0.833 8.676 1.00 0.00 C ATOM 1657 CG ASP A 112 -15.626 -0.389 7.429 1.00 0.00 C ATOM 1658 OD1 ASP A 112 -15.306 0.651 6.903 1.00 0.00 O ATOM 1659 OD2 ASP A 112 -16.515 -1.094 7.014 1.00 0.00 O ATOM 0 H ASP A 112 -13.321 -1.293 10.542 1.00 0.00 H new ATOM 0 HA ASP A 112 -13.093 0.293 8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -14.441 -1.819 8.503 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -15.575 -0.933 9.503 1.00 0.00 H new ATOM 1664 N GLY A 113 -13.828 2.554 8.887 1.00 0.00 N ATOM 1665 CA GLY A 113 -14.270 3.904 9.216 1.00 0.00 C ATOM 1666 C GLY A 113 -13.303 4.580 10.180 1.00 0.00 C ATOM 1667 O GLY A 113 -13.334 5.798 10.354 1.00 0.00 O ATOM 0 H GLY A 113 -13.084 2.513 8.190 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -14.351 4.495 8.304 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -15.264 3.866 9.661 1.00 0.00 H new ATOM 1671 N VAL A 114 -12.444 3.781 10.806 1.00 0.00 N ATOM 1672 CA VAL A 114 -11.408 4.310 11.685 1.00 0.00 C ATOM 1673 C VAL A 114 -10.151 4.669 10.903 1.00 0.00 C ATOM 1674 O VAL A 114 -9.553 5.723 11.119 1.00 0.00 O ATOM 1675 CB VAL A 114 -11.054 3.279 12.773 1.00 0.00 C ATOM 1676 CG1 VAL A 114 -9.915 3.792 13.642 1.00 0.00 C ATOM 1677 CG2 VAL A 114 -12.283 2.977 13.619 1.00 0.00 C ATOM 0 H VAL A 114 -12.445 2.765 10.720 1.00 0.00 H new ATOM 0 HA VAL A 114 -11.799 5.215 12.150 1.00 0.00 H new ATOM 0 HB VAL A 114 -10.725 2.357 12.294 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -9.678 3.051 14.406 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -9.036 3.969 13.022 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -10.214 4.724 14.121 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -12.026 2.247 14.387 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -12.633 3.894 14.093 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -13.072 2.573 12.984 1.00 0.00 H new ATOM 1687 N HIS A 115 -9.755 3.786 9.992 1.00 0.00 N ATOM 1688 CA HIS A 115 -8.659 4.072 9.073 1.00 0.00 C ATOM 1689 C HIS A 115 -9.056 3.775 7.633 1.00 0.00 C ATOM 1690 O HIS A 115 -10.142 3.258 7.372 1.00 0.00 O ATOM 1691 CB HIS A 115 -7.416 3.256 9.444 1.00 0.00 C ATOM 1692 CG HIS A 115 -6.896 3.543 10.819 1.00 0.00 C ATOM 1693 ND1 HIS A 115 -6.491 4.801 11.213 1.00 0.00 N ATOM 1694 CD2 HIS A 115 -6.715 2.736 11.890 1.00 0.00 C ATOM 1695 CE1 HIS A 115 -6.084 4.754 12.470 1.00 0.00 C ATOM 1696 NE2 HIS A 115 -6.209 3.513 12.902 1.00 0.00 N ATOM 0 H HIS A 115 -10.177 2.865 9.870 1.00 0.00 H new ATOM 0 HA HIS A 115 -8.428 5.134 9.157 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.653 2.195 9.369 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.629 3.459 8.718 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.929 1.678 11.939 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -5.712 5.589 13.045 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -5.968 3.184 13.837 1.00 0.00 H new ATOM 1703 N THR A 116 -8.170 4.107 6.700 1.00 0.00 N ATOM 1704 CA THR A 116 -8.498 4.059 5.281 1.00 0.00 C ATOM 1705 C THR A 116 -7.589 3.088 4.537 1.00 0.00 C ATOM 1706 O THR A 116 -6.398 3.346 4.365 1.00 0.00 O ATOM 1707 CB THR A 116 -8.396 5.456 4.641 1.00 0.00 C ATOM 1708 OG1 THR A 116 -9.363 6.329 5.238 1.00 0.00 O ATOM 1709 CG2 THR A 116 -8.647 5.376 3.143 1.00 0.00 C ATOM 0 H THR A 116 -7.218 4.413 6.902 1.00 0.00 H new ATOM 0 HA THR A 116 -9.527 3.708 5.200 1.00 0.00 H new ATOM 0 HB THR A 116 -7.392 5.845 4.810 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.296 7.218 4.831 1.00 0.00 H new ATOM 0 HG21 THR A 116 -8.571 6.372 2.708 1.00 0.00 H new ATOM 0 HG22 THR A 116 -7.905 4.722 2.684 1.00 0.00 H new ATOM 0 HG23 THR A 116 -9.645 4.976 2.962 1.00 0.00 H new ATOM 1717 N VAL A 117 -8.157 1.970 4.100 1.00 0.00 N ATOM 1718 CA VAL A 117 -7.467 1.065 3.189 1.00 0.00 C ATOM 1719 C VAL A 117 -7.227 1.723 1.835 1.00 0.00 C ATOM 1720 O VAL A 117 -8.129 2.333 1.263 1.00 0.00 O ATOM 1721 CB VAL A 117 -8.287 -0.224 2.991 1.00 0.00 C ATOM 1722 CG1 VAL A 117 -7.684 -1.074 1.883 1.00 0.00 C ATOM 1723 CG2 VAL A 117 -8.348 -1.003 4.296 1.00 0.00 C ATOM 0 H VAL A 117 -9.095 1.668 4.363 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.503 0.820 3.634 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.302 0.043 2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.276 -1.981 1.757 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.682 -0.509 0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.661 -1.342 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.929 -1.913 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.338 -1.264 4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.821 -0.390 5.064 1.00 0.00 H new ATOM 1733 N PHE A 118 -6.004 1.595 1.330 1.00 0.00 N ATOM 1734 CA PHE A 118 -5.627 2.227 0.072 1.00 0.00 C ATOM 1735 C PHE A 118 -5.109 1.200 -0.928 1.00 0.00 C ATOM 1736 O PHE A 118 -5.051 1.464 -2.129 1.00 0.00 O ATOM 1737 CB PHE A 118 -4.558 3.296 0.311 1.00 0.00 C ATOM 1738 CG PHE A 118 -3.235 2.742 0.754 1.00 0.00 C ATOM 1739 CD1 PHE A 118 -2.274 2.372 -0.177 1.00 0.00 C ATOM 1740 CD2 PHE A 118 -2.947 2.585 2.101 1.00 0.00 C ATOM 1741 CE1 PHE A 118 -1.056 1.862 0.230 1.00 0.00 C ATOM 1742 CE2 PHE A 118 -1.729 2.076 2.510 1.00 0.00 C ATOM 1743 CZ PHE A 118 -0.783 1.714 1.573 1.00 0.00 C ATOM 0 H PHE A 118 -5.258 1.059 1.773 1.00 0.00 H new ATOM 0 HA PHE A 118 -6.519 2.695 -0.344 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -4.414 3.864 -0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -4.919 3.995 1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -2.481 2.484 -1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -3.684 2.864 2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -0.317 1.579 -0.505 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -1.518 1.962 3.563 1.00 0.00 H new ATOM 0 HZ PHE A 118 0.169 1.316 1.891 1.00 0.00 H new ATOM 1753 N GLY A 119 -4.737 0.029 -0.425 1.00 0.00 N ATOM 1754 CA GLY A 119 -4.174 -1.022 -1.265 1.00 0.00 C ATOM 1755 C GLY A 119 -4.257 -2.379 -0.579 1.00 0.00 C ATOM 1756 O GLY A 119 -4.859 -2.511 0.486 1.00 0.00 O ATOM 0 H GLY A 119 -4.815 -0.217 0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.709 -1.058 -2.214 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.134 -0.790 -1.494 1.00 0.00 H new ATOM 1760 N GLN A 120 -3.647 -3.386 -1.195 1.00 0.00 N ATOM 1761 CA GLN A 120 -3.638 -4.732 -0.638 1.00 0.00 C ATOM 1762 C GLN A 120 -2.478 -5.550 -1.191 1.00 0.00 C ATOM 1763 O GLN A 120 -2.253 -5.587 -2.400 1.00 0.00 O ATOM 1764 CB GLN A 120 -4.963 -5.443 -0.929 1.00 0.00 C ATOM 1765 CG GLN A 120 -5.060 -6.842 -0.347 1.00 0.00 C ATOM 1766 CD GLN A 120 -6.400 -7.495 -0.628 1.00 0.00 C ATOM 1767 OE1 GLN A 120 -7.279 -6.895 -1.252 1.00 0.00 O ATOM 1768 NE2 GLN A 120 -6.564 -8.730 -0.168 1.00 0.00 N ATOM 0 H GLN A 120 -3.152 -3.294 -2.082 1.00 0.00 H new ATOM 0 HA GLN A 120 -3.511 -4.643 0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -5.780 -4.840 -0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -5.102 -5.500 -2.009 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -4.264 -7.461 -0.761 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -4.900 -6.796 0.730 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -5.810 -9.188 0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.444 -9.220 -0.326 1.00 0.00 H new ATOM 1777 N VAL A 121 -1.742 -6.205 -0.298 1.00 0.00 N ATOM 1778 CA VAL A 121 -0.605 -7.024 -0.695 1.00 0.00 C ATOM 1779 C VAL A 121 -1.052 -8.224 -1.522 1.00 0.00 C ATOM 1780 O VAL A 121 -2.002 -8.919 -1.161 1.00 0.00 O ATOM 1781 CB VAL A 121 0.159 -7.518 0.547 1.00 0.00 C ATOM 1782 CG1 VAL A 121 1.273 -8.473 0.144 1.00 0.00 C ATOM 1783 CG2 VAL A 121 0.718 -6.331 1.317 1.00 0.00 C ATOM 0 H VAL A 121 -1.914 -6.183 0.707 1.00 0.00 H new ATOM 0 HA VAL A 121 0.052 -6.404 -1.305 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.531 -8.060 1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.802 -8.812 1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.846 -9.332 -0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.970 -7.960 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.257 -6.688 2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.398 -5.770 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.100 -5.684 1.632 1.00 0.00 H new ATOM 1793 N THR A 122 -0.364 -8.460 -2.633 1.00 0.00 N ATOM 1794 CA THR A 122 -0.677 -9.587 -3.504 1.00 0.00 C ATOM 1795 C THR A 122 0.477 -10.580 -3.556 1.00 0.00 C ATOM 1796 O THR A 122 0.287 -11.750 -3.887 1.00 0.00 O ATOM 1797 CB THR A 122 -1.015 -9.111 -4.928 1.00 0.00 C ATOM 1798 OG1 THR A 122 0.122 -8.446 -5.495 1.00 0.00 O ATOM 1799 CG2 THR A 122 -2.196 -8.153 -4.905 1.00 0.00 C ATOM 0 H THR A 122 0.416 -7.885 -2.952 1.00 0.00 H new ATOM 0 HA THR A 122 -1.550 -10.086 -3.084 1.00 0.00 H new ATOM 0 HB THR A 122 -1.276 -9.980 -5.532 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.094 -8.145 -6.402 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.420 -7.827 -5.921 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.066 -8.658 -4.486 1.00 0.00 H new ATOM 0 HG23 THR A 122 -1.949 -7.286 -4.292 1.00 0.00 H new ATOM 1807 N SER A 123 1.674 -10.106 -3.227 1.00 0.00 N ATOM 1808 CA SER A 123 2.852 -10.964 -3.180 1.00 0.00 C ATOM 1809 C SER A 123 3.869 -10.449 -2.171 1.00 0.00 C ATOM 1810 O SER A 123 4.089 -9.243 -2.057 1.00 0.00 O ATOM 1811 CB SER A 123 3.489 -11.052 -4.553 1.00 0.00 C ATOM 1812 OG SER A 123 4.637 -11.855 -4.523 1.00 0.00 O ATOM 0 H SER A 123 1.854 -9.131 -2.989 1.00 0.00 H new ATOM 0 HA SER A 123 2.532 -11.957 -2.866 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.772 -11.462 -5.265 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.749 -10.053 -4.902 1.00 0.00 H new ATOM 0 HG SER A 123 5.029 -11.898 -5.420 1.00 0.00 H new ATOM 1818 N GLY A 124 4.487 -11.369 -1.438 1.00 0.00 N ATOM 1819 CA GLY A 124 5.448 -11.007 -0.403 1.00 0.00 C ATOM 1820 C GLY A 124 4.771 -10.869 0.954 1.00 0.00 C ATOM 1821 O GLY A 124 5.325 -10.275 1.879 1.00 0.00 O ATOM 0 H GLY A 124 4.339 -12.373 -1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 124 6.229 -11.765 -0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.934 -10.068 -0.667 1.00 0.00 H new ATOM 1825 N MET A 125 3.567 -11.421 1.067 1.00 0.00 N ATOM 1826 CA MET A 125 2.849 -11.440 2.336 1.00 0.00 C ATOM 1827 C MET A 125 3.659 -12.145 3.417 1.00 0.00 C ATOM 1828 O MET A 125 3.557 -11.815 4.598 1.00 0.00 O ATOM 1829 CB MET A 125 1.490 -12.114 2.164 1.00 0.00 C ATOM 1830 CG MET A 125 0.595 -12.051 3.394 1.00 0.00 C ATOM 1831 SD MET A 125 0.030 -10.376 3.757 1.00 0.00 S ATOM 1832 CE MET A 125 -0.423 -10.538 5.481 1.00 0.00 C ATOM 0 H MET A 125 3.068 -11.861 0.294 1.00 0.00 H new ATOM 0 HA MET A 125 2.694 -10.409 2.653 1.00 0.00 H new ATOM 0 HB2 MET A 125 0.970 -11.647 1.327 1.00 0.00 H new ATOM 0 HB3 MET A 125 1.648 -13.159 1.898 1.00 0.00 H new ATOM 0 HG2 MET A 125 -0.270 -12.697 3.243 1.00 0.00 H new ATOM 0 HG3 MET A 125 1.138 -12.442 4.254 1.00 0.00 H new ATOM 0 HE1 MET A 125 -0.939 -9.635 5.808 1.00 0.00 H new ATOM 0 HE2 MET A 125 -1.082 -11.397 5.605 1.00 0.00 H new ATOM 0 HE3 MET A 125 0.475 -10.680 6.081 1.00 0.00 H new ATOM 1842 N ASP A 126 4.466 -13.118 3.005 1.00 0.00 N ATOM 1843 CA ASP A 126 5.388 -13.785 3.916 1.00 0.00 C ATOM 1844 C ASP A 126 6.368 -12.794 4.531 1.00 0.00 C ATOM 1845 O ASP A 126 6.615 -12.817 5.736 1.00 0.00 O ATOM 1846 CB ASP A 126 6.158 -14.888 3.185 1.00 0.00 C ATOM 1847 CG ASP A 126 5.297 -16.103 2.869 1.00 0.00 C ATOM 1848 OD1 ASP A 126 4.215 -16.194 3.400 1.00 0.00 O ATOM 1849 OD2 ASP A 126 5.729 -16.928 2.100 1.00 0.00 O ATOM 0 H ASP A 126 4.500 -13.462 2.045 1.00 0.00 H new ATOM 0 HA ASP A 126 4.799 -14.230 4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 126 6.565 -14.486 2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 126 7.005 -15.199 3.796 1.00 0.00 H new ATOM 1854 N VAL A 127 6.925 -11.925 3.695 1.00 0.00 N ATOM 1855 CA VAL A 127 7.821 -10.874 4.165 1.00 0.00 C ATOM 1856 C VAL A 127 7.108 -9.936 5.130 1.00 0.00 C ATOM 1857 O VAL A 127 7.670 -9.535 6.149 1.00 0.00 O ATOM 1858 CB VAL A 127 8.367 -10.064 2.974 1.00 0.00 C ATOM 1859 CG1 VAL A 127 9.144 -8.852 3.466 1.00 0.00 C ATOM 1860 CG2 VAL A 127 9.244 -10.950 2.103 1.00 0.00 C ATOM 0 H VAL A 127 6.772 -11.927 2.687 1.00 0.00 H new ATOM 0 HA VAL A 127 8.648 -11.353 4.690 1.00 0.00 H new ATOM 0 HB VAL A 127 7.529 -9.707 2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.523 -8.291 2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.487 -8.214 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 127 9.980 -9.182 4.083 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.626 -10.370 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 127 10.079 -11.328 2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.656 -11.788 1.728 1.00 0.00 H new ATOM 1870 N VAL A 128 5.868 -9.588 4.803 1.00 0.00 N ATOM 1871 CA VAL A 128 5.043 -8.773 5.686 1.00 0.00 C ATOM 1872 C VAL A 128 4.873 -9.433 7.047 1.00 0.00 C ATOM 1873 O VAL A 128 5.054 -8.796 8.085 1.00 0.00 O ATOM 1874 CB VAL A 128 3.657 -8.538 5.056 1.00 0.00 C ATOM 1875 CG1 VAL A 128 2.723 -7.874 6.057 1.00 0.00 C ATOM 1876 CG2 VAL A 128 3.796 -7.689 3.802 1.00 0.00 C ATOM 0 H VAL A 128 5.412 -9.858 3.932 1.00 0.00 H new ATOM 0 HA VAL A 128 5.549 -7.818 5.823 1.00 0.00 H new ATOM 0 HB VAL A 128 3.226 -9.500 4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.748 -7.715 5.595 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.611 -8.516 6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.140 -6.915 6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.812 -7.527 3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.241 -6.728 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.435 -8.203 3.084 1.00 0.00 H new ATOM 1886 N ARG A 129 4.524 -10.716 7.037 1.00 0.00 N ATOM 1887 CA ARG A 129 4.262 -11.448 8.271 1.00 0.00 C ATOM 1888 C ARG A 129 5.525 -11.581 9.112 1.00 0.00 C ATOM 1889 O ARG A 129 5.461 -11.644 10.339 1.00 0.00 O ATOM 1890 CB ARG A 129 3.710 -12.832 7.964 1.00 0.00 C ATOM 1891 CG ARG A 129 2.284 -12.850 7.439 1.00 0.00 C ATOM 1892 CD ARG A 129 1.865 -14.217 7.034 1.00 0.00 C ATOM 1893 NE ARG A 129 0.497 -14.242 6.540 1.00 0.00 N ATOM 1894 CZ ARG A 129 -0.101 -15.321 5.998 1.00 0.00 C ATOM 1895 NH1 ARG A 129 0.559 -16.452 5.887 1.00 0.00 N ATOM 1896 NH2 ARG A 129 -1.351 -15.240 5.578 1.00 0.00 N ATOM 0 H ARG A 129 4.416 -11.270 6.187 1.00 0.00 H new ATOM 0 HA ARG A 129 3.523 -10.882 8.838 1.00 0.00 H new ATOM 0 HB2 ARG A 129 4.358 -13.311 7.230 1.00 0.00 H new ATOM 0 HB3 ARG A 129 3.755 -13.435 8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.608 -12.475 8.208 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.202 -12.176 6.586 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.537 -14.588 6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.956 -14.892 7.885 1.00 0.00 H new ATOM 0 HE ARG A 129 -0.048 -13.382 6.609 1.00 0.00 H new ATOM 0 HH11 ARG A 129 1.524 -16.513 6.211 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.106 -17.269 5.477 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -1.862 -14.361 5.664 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -1.805 -16.056 5.167 1.00 0.00 H new ATOM 1910 N THR A 130 6.672 -11.627 8.444 1.00 0.00 N ATOM 1911 CA THR A 130 7.948 -11.817 9.124 1.00 0.00 C ATOM 1912 C THR A 130 8.665 -10.489 9.332 1.00 0.00 C ATOM 1913 O THR A 130 9.880 -10.453 9.526 1.00 0.00 O ATOM 1914 CB THR A 130 8.857 -12.779 8.336 1.00 0.00 C ATOM 1915 OG1 THR A 130 9.066 -12.267 7.014 1.00 0.00 O ATOM 1916 CG2 THR A 130 8.225 -14.159 8.248 1.00 0.00 C ATOM 0 H THR A 130 6.745 -11.535 7.431 1.00 0.00 H new ATOM 0 HA THR A 130 7.733 -12.254 10.099 1.00 0.00 H new ATOM 0 HB THR A 130 9.811 -12.861 8.856 1.00 0.00 H new ATOM 0 HG1 THR A 130 8.265 -12.426 6.471 1.00 0.00 H new ATOM 0 HG21 THR A 130 8.882 -14.825 7.688 1.00 0.00 H new ATOM 0 HG22 THR A 130 8.077 -14.556 9.252 1.00 0.00 H new ATOM 0 HG23 THR A 130 7.263 -14.087 7.741 1.00 0.00 H new ATOM 1924 N MET A 131 7.906 -9.400 9.291 1.00 0.00 N ATOM 1925 CA MET A 131 8.434 -8.085 9.636 1.00 0.00 C ATOM 1926 C MET A 131 8.838 -8.021 11.104 1.00 0.00 C ATOM 1927 O MET A 131 8.332 -8.781 11.931 1.00 0.00 O ATOM 1928 CB MET A 131 7.403 -7.003 9.320 1.00 0.00 C ATOM 1929 CG MET A 131 7.293 -6.652 7.842 1.00 0.00 C ATOM 1930 SD MET A 131 6.091 -5.344 7.526 1.00 0.00 S ATOM 1931 CE MET A 131 6.312 -5.100 5.766 1.00 0.00 C ATOM 0 H MET A 131 6.922 -9.402 9.022 1.00 0.00 H new ATOM 0 HA MET A 131 9.326 -7.910 9.035 1.00 0.00 H new ATOM 0 HB2 MET A 131 6.427 -7.333 9.676 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.658 -6.101 9.877 1.00 0.00 H new ATOM 0 HG2 MET A 131 8.270 -6.339 7.473 1.00 0.00 H new ATOM 0 HG3 MET A 131 7.011 -7.543 7.281 1.00 0.00 H new ATOM 0 HE1 MET A 131 5.575 -4.383 5.403 1.00 0.00 H new ATOM 0 HE2 MET A 131 7.315 -4.718 5.575 1.00 0.00 H new ATOM 0 HE3 MET A 131 6.180 -6.050 5.248 1.00 0.00 H new ATOM 1941 N LYS A 132 9.750 -7.110 11.421 1.00 0.00 N ATOM 1942 CA LYS A 132 10.184 -6.908 12.799 1.00 0.00 C ATOM 1943 C LYS A 132 9.979 -5.463 13.234 1.00 0.00 C ATOM 1944 O LYS A 132 9.866 -4.564 12.402 1.00 0.00 O ATOM 1945 CB LYS A 132 11.653 -7.303 12.962 1.00 0.00 C ATOM 1946 CG LYS A 132 11.935 -8.782 12.743 1.00 0.00 C ATOM 1947 CD LYS A 132 13.414 -9.095 12.915 1.00 0.00 C ATOM 1948 CE LYS A 132 13.698 -10.573 12.692 1.00 0.00 C ATOM 1949 NZ LYS A 132 15.141 -10.895 12.866 1.00 0.00 N ATOM 0 H LYS A 132 10.204 -6.499 10.742 1.00 0.00 H new ATOM 0 HA LYS A 132 9.573 -7.546 13.438 1.00 0.00 H new ATOM 0 HB2 LYS A 132 12.252 -6.724 12.260 1.00 0.00 H new ATOM 0 HB3 LYS A 132 11.981 -7.028 13.964 1.00 0.00 H new ATOM 0 HG2 LYS A 132 11.352 -9.374 13.448 1.00 0.00 H new ATOM 0 HG3 LYS A 132 11.614 -9.071 11.742 1.00 0.00 H new ATOM 0 HD2 LYS A 132 13.997 -8.501 12.212 1.00 0.00 H new ATOM 0 HD3 LYS A 132 13.734 -8.809 13.917 1.00 0.00 H new ATOM 0 HE2 LYS A 132 13.107 -11.165 13.391 1.00 0.00 H new ATOM 0 HE3 LYS A 132 13.382 -10.856 11.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 15.292 -11.911 12.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 15.703 -10.349 12.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 15.437 -10.649 13.832 1.00 0.00 H new ATOM 1963 N ASN A 133 9.930 -5.247 14.545 1.00 0.00 N ATOM 1964 CA ASN A 133 9.740 -3.910 15.094 1.00 0.00 C ATOM 1965 C ASN A 133 10.970 -3.040 14.867 1.00 0.00 C ATOM 1966 O ASN A 133 11.973 -3.173 15.568 1.00 0.00 O ATOM 1967 CB ASN A 133 9.402 -3.982 16.572 1.00 0.00 C ATOM 1968 CG ASN A 133 9.038 -2.642 17.148 1.00 0.00 C ATOM 1969 OD1 ASN A 133 9.516 -1.602 16.681 1.00 0.00 O ATOM 1970 ND2 ASN A 133 8.202 -2.646 18.155 1.00 0.00 N ATOM 0 H ASN A 133 10.019 -5.982 15.247 1.00 0.00 H new ATOM 0 HA ASN A 133 8.903 -3.449 14.569 1.00 0.00 H new ATOM 0 HB2 ASN A 133 8.572 -4.673 16.718 1.00 0.00 H new ATOM 0 HB3 ASN A 133 10.255 -4.388 17.117 1.00 0.00 H new ATOM 0 HD21 ASN A 133 7.920 -1.766 18.587 1.00 0.00 H new ATOM 0 HD22 ASN A 133 7.833 -3.529 18.508 1.00 0.00 H new ATOM 1977 N GLY A 134 10.886 -2.151 13.883 1.00 0.00 N ATOM 1978 CA GLY A 134 12.016 -1.305 13.518 1.00 0.00 C ATOM 1979 C GLY A 134 12.596 -1.712 12.170 1.00 0.00 C ATOM 1980 O GLY A 134 13.594 -1.150 11.717 1.00 0.00 O ATOM 0 H GLY A 134 10.047 -1.998 13.324 1.00 0.00 H new ATOM 0 HA2 GLY A 134 11.697 -0.264 13.480 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.788 -1.374 14.285 1.00 0.00 H new ATOM 1984 N ASP A 135 11.966 -2.692 11.532 1.00 0.00 N ATOM 1985 CA ASP A 135 12.393 -3.148 10.215 1.00 0.00 C ATOM 1986 C ASP A 135 12.374 -2.008 9.205 1.00 0.00 C ATOM 1987 O ASP A 135 11.535 -1.111 9.281 1.00 0.00 O ATOM 1988 CB ASP A 135 11.496 -4.286 9.723 1.00 0.00 C ATOM 1989 CG ASP A 135 12.124 -5.091 8.593 1.00 0.00 C ATOM 1990 OD1 ASP A 135 13.237 -4.797 8.229 1.00 0.00 O ATOM 1991 OD2 ASP A 135 11.484 -5.992 8.106 1.00 0.00 O ATOM 0 H ASP A 135 11.156 -3.187 11.907 1.00 0.00 H new ATOM 0 HA ASP A 135 13.416 -3.512 10.308 1.00 0.00 H new ATOM 0 HB2 ASP A 135 11.273 -4.952 10.556 1.00 0.00 H new ATOM 0 HB3 ASP A 135 10.547 -3.872 9.383 1.00 0.00 H new ATOM 1996 N VAL A 136 13.306 -2.048 8.257 1.00 0.00 N ATOM 1997 CA VAL A 136 13.603 -0.888 7.425 1.00 0.00 C ATOM 1998 C VAL A 136 13.112 -1.094 5.998 1.00 0.00 C ATOM 1999 O VAL A 136 13.381 -2.125 5.382 1.00 0.00 O ATOM 2000 CB VAL A 136 15.119 -0.615 7.411 1.00 0.00 C ATOM 2001 CG1 VAL A 136 15.430 0.614 6.571 1.00 0.00 C ATOM 2002 CG2 VAL A 136 15.628 -0.440 8.833 1.00 0.00 C ATOM 0 H VAL A 136 13.869 -2.872 8.046 1.00 0.00 H new ATOM 0 HA VAL A 136 13.082 -0.031 7.852 1.00 0.00 H new ATOM 0 HB VAL A 136 15.628 -1.468 6.963 1.00 0.00 H new ATOM 0 HG11 VAL A 136 16.505 0.793 6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.090 0.451 5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 136 14.918 1.480 6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 136 16.701 -0.247 8.814 1.00 0.00 H new ATOM 0 HG22 VAL A 136 15.116 0.401 9.302 1.00 0.00 H new ATOM 0 HG23 VAL A 136 15.432 -1.348 9.404 1.00 0.00 H new ATOM 2012 N MET A 137 12.393 -0.107 5.476 1.00 0.00 N ATOM 2013 CA MET A 137 12.003 -0.102 4.072 1.00 0.00 C ATOM 2014 C MET A 137 13.099 0.497 3.198 1.00 0.00 C ATOM 2015 O MET A 137 13.281 1.714 3.162 1.00 0.00 O ATOM 2016 CB MET A 137 10.697 0.666 3.889 1.00 0.00 C ATOM 2017 CG MET A 137 9.487 0.018 4.547 1.00 0.00 C ATOM 2018 SD MET A 137 7.975 0.976 4.324 1.00 0.00 S ATOM 2019 CE MET A 137 8.194 2.247 5.566 1.00 0.00 C ATOM 0 H MET A 137 12.068 0.702 6.006 1.00 0.00 H new ATOM 0 HA MET A 137 11.852 -1.135 3.759 1.00 0.00 H new ATOM 0 HB2 MET A 137 10.821 1.670 4.294 1.00 0.00 H new ATOM 0 HB3 MET A 137 10.500 0.775 2.822 1.00 0.00 H new ATOM 0 HG2 MET A 137 9.344 -0.980 4.132 1.00 0.00 H new ATOM 0 HG3 MET A 137 9.680 -0.104 5.613 1.00 0.00 H new ATOM 0 HE1 MET A 137 7.415 2.155 6.322 1.00 0.00 H new ATOM 0 HE2 MET A 137 9.171 2.132 6.036 1.00 0.00 H new ATOM 0 HE3 MET A 137 8.130 3.229 5.097 1.00 0.00 H new ATOM 2029 N LYS A 138 13.826 -0.364 2.497 1.00 0.00 N ATOM 2030 CA LYS A 138 14.998 0.060 1.740 1.00 0.00 C ATOM 2031 C LYS A 138 14.611 1.001 0.606 1.00 0.00 C ATOM 2032 O LYS A 138 15.220 2.056 0.428 1.00 0.00 O ATOM 2033 CB LYS A 138 15.746 -1.153 1.184 1.00 0.00 C ATOM 2034 CG LYS A 138 17.020 -0.813 0.424 1.00 0.00 C ATOM 2035 CD LYS A 138 17.784 -2.070 0.034 1.00 0.00 C ATOM 2036 CE LYS A 138 19.043 -1.732 -0.750 1.00 0.00 C ATOM 2037 NZ LYS A 138 19.795 -2.953 -1.149 1.00 0.00 N ATOM 0 H LYS A 138 13.624 -1.362 2.437 1.00 0.00 H new ATOM 0 HA LYS A 138 15.656 0.599 2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 138 15.997 -1.819 2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 138 15.078 -1.704 0.521 1.00 0.00 H new ATOM 0 HG2 LYS A 138 16.771 -0.244 -0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 138 17.654 -0.176 1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 138 18.051 -2.629 0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 138 17.143 -2.716 -0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 138 18.774 -1.164 -1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 138 19.686 -1.092 -0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 20.646 -2.679 -1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 20.074 -3.482 -0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 19.191 -3.553 -1.747 1.00 0.00 H new ATOM 2051 N GLU A 139 13.595 0.612 -0.157 1.00 0.00 N ATOM 2052 CA GLU A 139 13.171 1.386 -1.318 1.00 0.00 C ATOM 2053 C GLU A 139 11.679 1.220 -1.574 1.00 0.00 C ATOM 2054 O GLU A 139 11.218 0.141 -1.946 1.00 0.00 O ATOM 2055 CB GLU A 139 13.960 0.961 -2.558 1.00 0.00 C ATOM 2056 CG GLU A 139 13.581 1.704 -3.831 1.00 0.00 C ATOM 2057 CD GLU A 139 14.450 1.342 -5.002 1.00 0.00 C ATOM 2058 OE1 GLU A 139 15.403 0.626 -4.811 1.00 0.00 O ATOM 2059 OE2 GLU A 139 14.163 1.784 -6.090 1.00 0.00 O ATOM 0 H GLU A 139 13.050 -0.234 0.008 1.00 0.00 H new ATOM 0 HA GLU A 139 13.370 2.437 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 139 15.022 1.112 -2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 139 13.813 -0.107 -2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 139 12.541 1.487 -4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 139 13.649 2.777 -3.653 1.00 0.00 H new ATOM 2066 N VAL A 140 10.927 2.297 -1.373 1.00 0.00 N ATOM 2067 CA VAL A 140 9.490 2.286 -1.625 1.00 0.00 C ATOM 2068 C VAL A 140 9.135 3.150 -2.828 1.00 0.00 C ATOM 2069 O VAL A 140 9.598 4.285 -2.947 1.00 0.00 O ATOM 2070 CB VAL A 140 8.728 2.795 -0.387 1.00 0.00 C ATOM 2071 CG1 VAL A 140 7.226 2.750 -0.631 1.00 0.00 C ATOM 2072 CG2 VAL A 140 9.102 1.964 0.830 1.00 0.00 C ATOM 0 H VAL A 140 11.289 3.189 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 140 9.198 1.258 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 140 9.009 3.831 -0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 140 6.703 3.113 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 140 6.977 3.381 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.921 1.724 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 140 8.559 2.330 1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 140 8.842 0.921 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 140 10.174 2.045 1.010 1.00 0.00 H new ATOM 2082 N LYS A 141 8.311 2.608 -3.717 1.00 0.00 N ATOM 2083 CA LYS A 141 7.942 3.303 -4.945 1.00 0.00 C ATOM 2084 C LYS A 141 6.675 2.715 -5.552 1.00 0.00 C ATOM 2085 O LYS A 141 6.374 1.536 -5.363 1.00 0.00 O ATOM 2086 CB LYS A 141 9.088 3.246 -5.957 1.00 0.00 C ATOM 2087 CG LYS A 141 9.537 1.836 -6.317 1.00 0.00 C ATOM 2088 CD LYS A 141 10.779 1.860 -7.196 1.00 0.00 C ATOM 2089 CE LYS A 141 11.283 0.453 -7.483 1.00 0.00 C ATOM 2090 NZ LYS A 141 12.614 0.463 -8.148 1.00 0.00 N ATOM 0 H LYS A 141 7.885 1.687 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 141 7.745 4.345 -4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 141 8.779 3.760 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 141 9.940 3.794 -5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 141 9.744 1.274 -5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 141 8.731 1.317 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 141 10.553 2.366 -8.135 1.00 0.00 H new ATOM 0 HD3 LYS A 141 11.563 2.436 -6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 141 11.348 -0.106 -6.550 1.00 0.00 H new ATOM 0 HE3 LYS A 141 10.565 -0.067 -8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 12.913 -0.514 -8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 12.551 0.989 -9.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 13.310 0.921 -7.525 1.00 0.00 H new ATOM 2104 N VAL A 142 5.936 3.543 -6.283 1.00 0.00 N ATOM 2105 CA VAL A 142 4.652 3.135 -6.838 1.00 0.00 C ATOM 2106 C VAL A 142 4.553 3.491 -8.316 1.00 0.00 C ATOM 2107 O VAL A 142 4.944 4.584 -8.728 1.00 0.00 O ATOM 2108 CB VAL A 142 3.499 3.809 -6.072 1.00 0.00 C ATOM 2109 CG1 VAL A 142 2.158 3.427 -6.682 1.00 0.00 C ATOM 2110 CG2 VAL A 142 3.554 3.417 -4.603 1.00 0.00 C ATOM 0 H VAL A 142 6.205 4.502 -6.505 1.00 0.00 H new ATOM 0 HA VAL A 142 4.575 2.053 -6.734 1.00 0.00 H new ATOM 0 HB VAL A 142 3.609 4.891 -6.149 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.355 3.912 -6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 142 2.127 3.749 -7.723 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.031 2.346 -6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.735 3.898 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.462 2.335 -4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.504 3.737 -4.176 1.00 0.00 H new ATOM 2120 N PHE A 143 4.026 2.564 -9.110 1.00 0.00 N ATOM 2121 CA PHE A 143 3.908 2.766 -10.549 1.00 0.00 C ATOM 2122 C PHE A 143 2.469 2.579 -11.014 1.00 0.00 C ATOM 2123 O PHE A 143 1.631 2.061 -10.277 1.00 0.00 O ATOM 2124 CB PHE A 143 4.822 1.797 -11.301 1.00 0.00 C ATOM 2125 CG PHE A 143 6.280 1.977 -10.992 1.00 0.00 C ATOM 2126 CD1 PHE A 143 7.031 2.938 -11.650 1.00 0.00 C ATOM 2127 CD2 PHE A 143 6.905 1.184 -10.040 1.00 0.00 C ATOM 2128 CE1 PHE A 143 8.374 3.104 -11.368 1.00 0.00 C ATOM 2129 CE2 PHE A 143 8.248 1.348 -9.754 1.00 0.00 C ATOM 2130 CZ PHE A 143 8.982 2.307 -10.418 1.00 0.00 C ATOM 0 H PHE A 143 3.674 1.665 -8.780 1.00 0.00 H new ATOM 0 HA PHE A 143 4.212 3.790 -10.767 1.00 0.00 H new ATOM 0 HB2 PHE A 143 4.532 0.775 -11.057 1.00 0.00 H new ATOM 0 HB3 PHE A 143 4.669 1.925 -12.373 1.00 0.00 H new ATOM 0 HD1 PHE A 143 6.561 3.565 -12.393 1.00 0.00 H new ATOM 0 HD2 PHE A 143 6.336 0.430 -9.516 1.00 0.00 H new ATOM 0 HE1 PHE A 143 8.947 3.856 -11.890 1.00 0.00 H new ATOM 0 HE2 PHE A 143 8.722 0.724 -9.010 1.00 0.00 H new ATOM 0 HZ PHE A 143 10.031 2.435 -10.196 1.00 0.00 H new ATOM 2140 N ASP A 144 2.189 3.007 -12.241 1.00 0.00 N ATOM 2141 CA ASP A 144 0.891 2.763 -12.859 1.00 0.00 C ATOM 2142 C ASP A 144 0.953 1.585 -13.823 1.00 0.00 C ATOM 2143 O ASP A 144 1.048 1.769 -15.036 1.00 0.00 O ATOM 2144 CB ASP A 144 0.408 4.012 -13.599 1.00 0.00 C ATOM 2145 CG ASP A 144 0.023 5.146 -12.659 1.00 0.00 C ATOM 2146 OD1 ASP A 144 -0.723 4.904 -11.741 1.00 0.00 O ATOM 2147 OD2 ASP A 144 0.479 6.245 -12.869 1.00 0.00 O ATOM 0 H ASP A 144 2.844 3.525 -12.827 1.00 0.00 H new ATOM 0 HA ASP A 144 0.185 2.522 -12.064 1.00 0.00 H new ATOM 0 HB2 ASP A 144 1.193 4.356 -14.272 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -0.451 3.752 -14.218 1.00 0.00 H new ATOM 2152 N GLU A 145 0.897 0.376 -13.276 1.00 0.00 N ATOM 2153 CA GLU A 145 1.051 -0.834 -14.074 1.00 0.00 C ATOM 2154 C GLU A 145 -0.067 -0.963 -15.101 1.00 0.00 C ATOM 2155 O GLU A 145 -1.247 -0.877 -14.762 1.00 0.00 O ATOM 2156 CB GLU A 145 1.073 -2.070 -13.171 1.00 0.00 C ATOM 2157 CG GLU A 145 1.278 -3.385 -13.911 1.00 0.00 C ATOM 2158 CD GLU A 145 1.318 -4.573 -12.990 1.00 0.00 C ATOM 2159 OE1 GLU A 145 0.334 -4.825 -12.335 1.00 0.00 O ATOM 2160 OE2 GLU A 145 2.332 -5.229 -12.942 1.00 0.00 O ATOM 0 H GLU A 145 0.746 0.208 -12.281 1.00 0.00 H new ATOM 0 HA GLU A 145 1.999 -0.763 -14.607 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.868 -1.953 -12.435 1.00 0.00 H new ATOM 0 HB3 GLU A 145 0.134 -2.119 -12.620 1.00 0.00 H new ATOM 0 HG2 GLU A 145 0.473 -3.519 -14.634 1.00 0.00 H new ATOM 0 HG3 GLU A 145 2.209 -3.337 -14.476 1.00 0.00 H new ATOM 2167 N PRO A 146 0.311 -1.171 -16.357 1.00 0.00 N ATOM 2168 CA PRO A 146 -0.659 -1.385 -17.424 1.00 0.00 C ATOM 2169 C PRO A 146 -1.674 -2.454 -17.039 1.00 0.00 C ATOM 2170 O PRO A 146 -2.647 -2.228 -16.998 1.00 0.00 O ATOM 2171 CB PRO A 146 0.214 -1.834 -18.599 1.00 0.00 C ATOM 2172 CG PRO A 146 1.523 -1.160 -18.362 1.00 0.00 C ATOM 2173 CD PRO A 146 1.705 -1.214 -16.868 1.00 0.00 C ATOM 2174 OXT PRO A 146 -1.306 -3.567 -16.784 1.00 0.00 O ATOM 0 HA PRO A 146 -1.253 -0.500 -17.651 1.00 0.00 H new ATOM 0 HB2 PRO A 146 0.323 -2.918 -18.622 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -0.220 -1.537 -19.554 1.00 0.00 H new ATOM 0 HG2 PRO A 146 2.334 -1.672 -18.880 1.00 0.00 H new ATOM 0 HG3 PRO A 146 1.512 -0.132 -18.724 1.00 0.00 H new ATOM 0 HD2 PRO A 146 2.220 -2.123 -16.557 1.00 0.00 H new ATOM 0 HD3 PRO A 146 2.294 -0.373 -16.503 1.00 0.00 H new TER 2182 PRO A 146