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 82 HIS : no HE2:sc= 1.72 K(o=2.7,f=-5!) USER MOD Set 1.2: A 88 SER OG : rot -166:sc= 1.02 USER MOD Set 2.1: A 73 CYS SG : rot 180:sc= 0.387 USER MOD Set 2.2: A 75 THR OG1 : rot -88:sc= 0.439 USER MOD Set 2.3: A 91 HIS : no HE2:sc= -0.153 K(o=2.2,f=-5.2!) USER MOD Set 2.4: A 116 THR OG1 : rot 54:sc= 1.53 USER MOD Set 3.1: A 55 GLN : amide:sc= 0.793 K(o=2.2,f=-0.25) USER MOD Set 3.2: A 100 GLN : amide:sc= 1.42 K(o=2.2,f=-1.9) USER MOD Set 4.1: A 54 SER OG : rot 150:sc= 0.567 USER MOD Set 4.2: A 105 HIS : no HD1:sc= 0.743 K(o=1.3,f=-5.8!) USER MOD Set 5.1: A 40 TYR OH : rot 11:sc= 0.883 USER MOD Set 5.2: A 89 MET CE :methyl -177:sc= -0.055 (180deg=-0.0886) USER MOD Set 6.1: A 9 MET CE :methyl -129:sc= -0.0891 (180deg=-0.071) USER MOD Set 6.2: A 11 ASN : amide:sc=-0.00739 X(o=-0.097,f=-0.089) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0108 (180deg=-0.223) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.552 (180deg=-0.127) USER MOD Single : A 3 LYS NZ :NH3+ -171:sc= 0.977 (180deg=0.928) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= 0.649 (180deg=0.649) USER MOD Single : A 6 TYR OH : rot 30:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.069 K(o=-0.069,f=-1.6!) USER MOD Single : A 27 THR OG1 : rot 76:sc= 0.924 USER MOD Single : A 30 ASN : amide:sc= -0.8 K(o=-0.8,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= -1.35! C(o=-1.3!,f=-6.4!) USER MOD Single : A 44 THR OG1 : rot -41:sc= 0.182 USER MOD Single : A 46 HIS : no HE2:sc= 0.884 K(o=0.88,f=-2.7!) USER MOD Single : A 58 CYS SG : rot -100:sc= -0.265 USER MOD Single : A 62 ASN : amide:sc= 0.323 K(o=0.32,f=-7.8!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 159:sc= 0.807 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.612 K(o=0.61,f=-1.3) USER MOD Single : A 78 ASN : amide:sc= -0.0413 K(o=-0.041,f=-1.3!) USER MOD Single : A 80 HIS : no HE2:sc= 0.839 K(o=0.84,f=-5.1!) USER MOD Single : A 84 THR OG1 : rot -60:sc= 0.87 USER MOD Single : A 87 MET CE :methyl -119:sc= 0 (180deg=-0.338) USER MOD Single : A 96 THR OG1 : rot -58:sc= 1.33 USER MOD Single : A 98 SER OG : rot 180:sc= 0.178 USER MOD Single : A 99 CYS SG : rot 156:sc= -0.0179 USER MOD Single : A 108 GLN : amide:sc= -0.0194 K(o=-0.019,f=-0.55) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.0623 K(o=-0.062,f=-2.8!) USER MOD Single : A 120 GLN : amide:sc= 0.126 K(o=0.13,f=-0.87) 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 -148:sc= -0.131 (180deg=-1.06) USER MOD Single : A 130 THR OG1 : rot -101:sc= 0.863 USER MOD Single : A 131 MET CE :methyl 143:sc= -0.0984 (180deg=-1.6) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -1.12 K(o=-1.1,f=-6.4!) USER MOD Single : A 137 MET CE :methyl 138:sc= 0 (180deg=-0.221) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.411 -0.547 -16.682 1.00 0.00 N ATOM 2 CA MET A 1 -5.908 0.680 -16.075 1.00 0.00 C ATOM 3 C MET A 1 -6.089 0.660 -14.562 1.00 0.00 C ATOM 4 O MET A 1 -7.205 0.786 -14.059 1.00 0.00 O ATOM 5 CB MET A 1 -6.609 1.894 -16.680 1.00 0.00 C ATOM 6 CG MET A 1 -6.344 2.099 -18.165 1.00 0.00 C ATOM 7 SD MET A 1 -4.597 2.361 -18.530 1.00 0.00 S ATOM 8 CE MET A 1 -4.341 3.984 -17.818 1.00 0.00 C ATOM 0 H1 MET A 1 -5.655 -0.994 -17.239 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.724 -1.200 -15.936 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.213 -0.323 -17.305 1.00 0.00 H new ATOM 0 HA MET A 1 -4.840 0.749 -16.284 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.683 1.792 -16.526 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.293 2.787 -16.140 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.700 1.229 -18.717 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.917 2.957 -18.517 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.394 4.392 -18.172 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.155 4.645 -18.116 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.318 3.905 -16.731 1.00 0.00 H new ATOM 18 N ALA A 2 -4.983 0.502 -13.842 1.00 0.00 N ATOM 19 CA ALA A 2 -5.015 0.491 -12.385 1.00 0.00 C ATOM 20 C ALA A 2 -3.680 0.939 -11.802 1.00 0.00 C ATOM 21 O ALA A 2 -2.670 0.988 -12.504 1.00 0.00 O ATOM 22 CB ALA A 2 -5.377 -0.894 -11.872 1.00 0.00 C ATOM 0 H ALA A 2 -4.054 0.380 -14.244 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.780 1.197 -12.061 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.396 -0.885 -10.782 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.359 -1.177 -12.250 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.635 -1.615 -12.215 1.00 0.00 H new ATOM 28 N LYS A 3 -3.682 1.265 -10.514 1.00 0.00 N ATOM 29 CA LYS A 3 -2.467 1.691 -9.829 1.00 0.00 C ATOM 30 C LYS A 3 -1.879 0.559 -8.995 1.00 0.00 C ATOM 31 O LYS A 3 -2.602 -0.142 -8.288 1.00 0.00 O ATOM 32 CB LYS A 3 -2.748 2.906 -8.943 1.00 0.00 C ATOM 33 CG LYS A 3 -3.274 4.123 -9.693 1.00 0.00 C ATOM 34 CD LYS A 3 -2.225 4.679 -10.646 1.00 0.00 C ATOM 35 CE LYS A 3 -2.696 5.973 -11.294 1.00 0.00 C ATOM 36 NZ LYS A 3 -1.725 6.475 -12.303 1.00 0.00 N ATOM 0 H LYS A 3 -4.513 1.242 -9.923 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.737 1.969 -10.589 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.473 2.624 -8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.830 3.183 -8.425 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.169 3.850 -10.252 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.567 4.894 -8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -1.297 4.858 -10.104 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.005 3.942 -11.418 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.662 5.809 -11.771 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.844 6.731 -10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.004 7.429 -12.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.775 6.511 -11.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.716 5.837 -13.124 1.00 0.00 H new ATOM 50 N LYS A 4 -0.565 0.386 -9.085 1.00 0.00 N ATOM 51 CA LYS A 4 0.134 -0.600 -8.270 1.00 0.00 C ATOM 52 C LYS A 4 1.423 -0.026 -7.696 1.00 0.00 C ATOM 53 O LYS A 4 1.907 1.012 -8.147 1.00 0.00 O ATOM 54 CB LYS A 4 0.437 -1.854 -9.092 1.00 0.00 C ATOM 55 CG LYS A 4 -0.796 -2.634 -9.528 1.00 0.00 C ATOM 56 CD LYS A 4 -0.412 -3.898 -10.282 1.00 0.00 C ATOM 57 CE LYS A 4 -1.644 -4.672 -10.730 1.00 0.00 C ATOM 58 NZ LYS A 4 -1.284 -5.889 -11.505 1.00 0.00 N ATOM 0 H LYS A 4 0.038 0.916 -9.715 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.518 -0.870 -7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.001 -1.565 -9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.079 -2.511 -8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.391 -2.896 -8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.421 -2.005 -10.162 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.191 -3.636 -11.151 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.205 -4.531 -9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.230 -4.958 -9.857 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.276 -4.027 -11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.151 -6.378 -11.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.732 -5.616 -12.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.717 -6.525 -10.909 1.00 0.00 H new ATOM 72 N GLY A 5 1.976 -0.708 -6.698 1.00 0.00 N ATOM 73 CA GLY A 5 3.234 -0.291 -6.090 1.00 0.00 C ATOM 74 C GLY A 5 3.918 -1.457 -5.388 1.00 0.00 C ATOM 75 O GLY A 5 3.351 -2.542 -5.268 1.00 0.00 O ATOM 0 H GLY A 5 1.572 -1.553 -6.293 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.895 0.114 -6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.048 0.510 -5.374 1.00 0.00 H new ATOM 79 N TYR A 6 5.144 -1.227 -4.927 1.00 0.00 N ATOM 80 CA TYR A 6 5.876 -2.230 -4.162 1.00 0.00 C ATOM 81 C TYR A 6 6.969 -1.588 -3.319 1.00 0.00 C ATOM 82 O TYR A 6 7.398 -0.467 -3.590 1.00 0.00 O ATOM 83 CB TYR A 6 6.474 -3.283 -5.096 1.00 0.00 C ATOM 84 CG TYR A 6 7.428 -2.717 -6.124 1.00 0.00 C ATOM 85 CD1 TYR A 6 6.945 -2.265 -7.343 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.786 -2.648 -5.847 1.00 0.00 C ATOM 87 CE1 TYR A 6 7.816 -1.747 -8.283 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.657 -2.131 -6.786 1.00 0.00 C ATOM 89 CZ TYR A 6 9.167 -1.680 -8.007 1.00 0.00 C ATOM 90 OH TYR A 6 10.035 -1.164 -8.942 1.00 0.00 O ATOM 0 H TYR A 6 5.651 -0.354 -5.070 1.00 0.00 H new ATOM 0 HA TYR A 6 5.172 -2.718 -3.488 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.999 -4.029 -4.499 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.664 -3.800 -5.611 1.00 0.00 H new ATOM 0 HD1 TYR A 6 5.888 -2.318 -7.558 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.162 -2.999 -4.897 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.440 -1.395 -9.232 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.714 -2.077 -6.573 1.00 0.00 H new ATOM 0 HH TYR A 6 9.571 -0.492 -9.484 1.00 0.00 H new ATOM 100 N ILE A 7 7.418 -2.306 -2.295 1.00 0.00 N ATOM 101 CA ILE A 7 8.408 -1.778 -1.364 1.00 0.00 C ATOM 102 C ILE A 7 9.366 -2.869 -0.902 1.00 0.00 C ATOM 103 O ILE A 7 8.946 -3.971 -0.550 1.00 0.00 O ATOM 104 CB ILE A 7 7.726 -1.142 -0.139 1.00 0.00 C ATOM 105 CG1 ILE A 7 8.759 -0.428 0.737 1.00 0.00 C ATOM 106 CG2 ILE A 7 6.981 -2.197 0.663 1.00 0.00 C ATOM 107 CD1 ILE A 7 8.152 0.491 1.771 1.00 0.00 C ATOM 0 H ILE A 7 7.111 -3.257 -2.089 1.00 0.00 H new ATOM 0 HA ILE A 7 8.976 -1.013 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 7 7.004 -0.405 -0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.371 -1.175 1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.426 0.150 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.505 -1.730 1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 7 6.220 -2.661 0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.683 -2.958 1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.946 0.960 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.564 1.261 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.508 -0.084 2.436 1.00 0.00 H new ATOM 119 N LEU A 8 10.658 -2.555 -0.908 1.00 0.00 N ATOM 120 CA LEU A 8 11.682 -3.522 -0.534 1.00 0.00 C ATOM 121 C LEU A 8 12.262 -3.209 0.839 1.00 0.00 C ATOM 122 O LEU A 8 12.484 -2.046 1.179 1.00 0.00 O ATOM 123 CB LEU A 8 12.806 -3.534 -1.579 1.00 0.00 C ATOM 124 CG LEU A 8 12.558 -4.410 -2.813 1.00 0.00 C ATOM 125 CD1 LEU A 8 11.640 -3.677 -3.781 1.00 0.00 C ATOM 126 CD2 LEU A 8 13.887 -4.751 -3.470 1.00 0.00 C ATOM 0 H LEU A 8 11.020 -1.637 -1.168 1.00 0.00 H new ATOM 0 HA LEU A 8 11.213 -4.505 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.979 -2.510 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.723 -3.871 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 8 12.073 -5.340 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.464 -4.300 -4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.690 -3.464 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.108 -2.742 -4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.710 -5.374 -4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.390 -3.832 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.515 -5.292 -2.762 1.00 0.00 H new ATOM 138 N MET A 9 12.504 -4.251 1.626 1.00 0.00 N ATOM 139 CA MET A 9 13.110 -4.095 2.943 1.00 0.00 C ATOM 140 C MET A 9 14.622 -4.266 2.878 1.00 0.00 C ATOM 141 O MET A 9 15.151 -4.832 1.921 1.00 0.00 O ATOM 142 CB MET A 9 12.502 -5.092 3.926 1.00 0.00 C ATOM 143 CG MET A 9 11.030 -4.855 4.235 1.00 0.00 C ATOM 144 SD MET A 9 10.306 -6.177 5.227 1.00 0.00 S ATOM 145 CE MET A 9 11.008 -5.816 6.833 1.00 0.00 C ATOM 0 H MET A 9 12.289 -5.216 1.374 1.00 0.00 H new ATOM 0 HA MET A 9 12.903 -3.084 3.293 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.618 -6.098 3.523 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.067 -5.055 4.858 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.922 -3.908 4.764 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.477 -4.763 3.300 1.00 0.00 H new ATOM 0 HE1 MET A 9 11.463 -6.718 7.242 1.00 0.00 H new ATOM 0 HE2 MET A 9 11.767 -5.040 6.732 1.00 0.00 H new ATOM 0 HE3 MET A 9 10.222 -5.469 7.504 1.00 0.00 H new ATOM 155 N GLU A 10 15.312 -3.774 3.901 1.00 0.00 N ATOM 156 CA GLU A 10 16.763 -3.895 3.975 1.00 0.00 C ATOM 157 C GLU A 10 17.183 -5.334 4.245 1.00 0.00 C ATOM 158 O GLU A 10 18.362 -5.677 4.146 1.00 0.00 O ATOM 159 CB GLU A 10 17.321 -2.978 5.065 1.00 0.00 C ATOM 160 CG GLU A 10 17.312 -1.499 4.709 1.00 0.00 C ATOM 161 CD GLU A 10 18.342 -1.141 3.673 1.00 0.00 C ATOM 162 OE1 GLU A 10 19.131 -1.989 3.329 1.00 0.00 O ATOM 163 OE2 GLU A 10 18.340 -0.019 3.225 1.00 0.00 O ATOM 0 H GLU A 10 14.889 -3.287 4.691 1.00 0.00 H new ATOM 0 HA GLU A 10 17.171 -3.593 3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.741 -3.123 5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.345 -3.279 5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.323 -1.225 4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.491 -0.912 5.610 1.00 0.00 H new ATOM 170 N ASN A 11 16.212 -6.175 4.586 1.00 0.00 N ATOM 171 CA ASN A 11 16.466 -7.594 4.800 1.00 0.00 C ATOM 172 C ASN A 11 16.408 -8.368 3.489 1.00 0.00 C ATOM 173 O ASN A 11 16.598 -9.584 3.466 1.00 0.00 O ATOM 174 CB ASN A 11 15.483 -8.167 5.803 1.00 0.00 C ATOM 175 CG ASN A 11 15.685 -7.619 7.189 1.00 0.00 C ATOM 176 OD1 ASN A 11 16.763 -7.764 7.776 1.00 0.00 O ATOM 177 ND2 ASN A 11 14.668 -6.993 7.722 1.00 0.00 N ATOM 0 H ASN A 11 15.240 -5.897 4.720 1.00 0.00 H new ATOM 0 HA ASN A 11 17.473 -7.697 5.205 1.00 0.00 H new ATOM 0 HB2 ASN A 11 14.467 -7.949 5.475 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.585 -9.252 5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.746 -6.600 8.660 1.00 0.00 H new ATOM 0 HD22 ASN A 11 13.797 -6.898 7.200 1.00 0.00 H new ATOM 184 N GLY A 12 16.144 -7.656 2.398 1.00 0.00 N ATOM 185 CA GLY A 12 16.145 -8.259 1.071 1.00 0.00 C ATOM 186 C GLY A 12 14.751 -8.729 0.677 1.00 0.00 C ATOM 187 O GLY A 12 14.561 -9.317 -0.387 1.00 0.00 O ATOM 0 H GLY A 12 15.926 -6.660 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.507 -7.536 0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 12 16.835 -9.103 1.053 1.00 0.00 H new ATOM 191 N GLY A 13 13.777 -8.466 1.543 1.00 0.00 N ATOM 192 CA GLY A 13 12.394 -8.841 1.277 1.00 0.00 C ATOM 193 C GLY A 13 11.743 -7.880 0.291 1.00 0.00 C ATOM 194 O GLY A 13 12.123 -6.712 0.205 1.00 0.00 O ATOM 0 H GLY A 13 13.921 -7.994 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.360 -9.855 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.830 -8.847 2.210 1.00 0.00 H new ATOM 198 N LYS A 14 10.760 -8.377 -0.451 1.00 0.00 N ATOM 199 CA LYS A 14 10.040 -7.557 -1.419 1.00 0.00 C ATOM 200 C LYS A 14 8.533 -7.709 -1.257 1.00 0.00 C ATOM 201 O LYS A 14 7.998 -8.815 -1.340 1.00 0.00 O ATOM 202 CB LYS A 14 10.455 -7.922 -2.845 1.00 0.00 C ATOM 203 CG LYS A 14 9.815 -7.061 -3.926 1.00 0.00 C ATOM 204 CD LYS A 14 10.366 -7.402 -5.302 1.00 0.00 C ATOM 205 CE LYS A 14 9.758 -6.516 -6.379 1.00 0.00 C ATOM 206 NZ LYS A 14 10.316 -6.813 -7.726 1.00 0.00 N ATOM 0 H LYS A 14 10.443 -9.345 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 14 10.300 -6.515 -1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.539 -7.841 -2.927 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.199 -8.965 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.735 -7.207 -3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.996 -6.008 -3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.450 -7.284 -5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.159 -8.448 -5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.677 -6.655 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.941 -5.470 -6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.875 -6.187 -8.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.344 -6.655 -7.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.120 -7.804 -7.972 1.00 0.00 H new ATOM 220 N ILE A 15 7.853 -6.592 -1.024 1.00 0.00 N ATOM 221 CA ILE A 15 6.406 -6.600 -0.842 1.00 0.00 C ATOM 222 C ILE A 15 5.704 -5.869 -1.978 1.00 0.00 C ATOM 223 O ILE A 15 5.896 -4.668 -2.169 1.00 0.00 O ATOM 224 CB ILE A 15 6.018 -5.956 0.502 1.00 0.00 C ATOM 225 CG1 ILE A 15 6.723 -6.668 1.660 1.00 0.00 C ATOM 226 CG2 ILE A 15 4.509 -5.990 0.692 1.00 0.00 C ATOM 227 CD1 ILE A 15 8.059 -6.062 2.026 1.00 0.00 C ATOM 0 H ILE A 15 8.281 -5.669 -0.957 1.00 0.00 H new ATOM 0 HA ILE A 15 6.084 -7.641 -0.844 1.00 0.00 H new ATOM 0 HB ILE A 15 6.340 -4.915 0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.074 -6.649 2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.870 -7.715 1.395 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.252 -5.531 1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.028 -5.439 -0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.164 -7.024 0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.497 -6.620 2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.726 -6.106 1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.918 -5.023 2.323 1.00 0.00 H new ATOM 239 N GLU A 16 4.889 -6.599 -2.731 1.00 0.00 N ATOM 240 CA GLU A 16 4.178 -6.028 -3.869 1.00 0.00 C ATOM 241 C GLU A 16 2.681 -5.952 -3.603 1.00 0.00 C ATOM 242 O GLU A 16 2.064 -6.935 -3.192 1.00 0.00 O ATOM 243 CB GLU A 16 4.442 -6.854 -5.131 1.00 0.00 C ATOM 244 CG GLU A 16 3.837 -6.271 -6.400 1.00 0.00 C ATOM 245 CD GLU A 16 4.121 -7.104 -7.619 1.00 0.00 C ATOM 246 OE1 GLU A 16 3.756 -8.254 -7.627 1.00 0.00 O ATOM 247 OE2 GLU A 16 4.705 -6.588 -8.543 1.00 0.00 O ATOM 0 H GLU A 16 4.704 -7.590 -2.573 1.00 0.00 H new ATOM 0 HA GLU A 16 4.550 -5.015 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.519 -6.952 -5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.047 -7.859 -4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.758 -6.178 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.228 -5.265 -6.554 1.00 0.00 H new ATOM 254 N PHE A 17 2.101 -4.781 -3.840 1.00 0.00 N ATOM 255 CA PHE A 17 0.717 -4.521 -3.464 1.00 0.00 C ATOM 256 C PHE A 17 -0.015 -3.752 -4.556 1.00 0.00 C ATOM 257 O PHE A 17 0.606 -3.078 -5.378 1.00 0.00 O ATOM 258 CB PHE A 17 0.657 -3.735 -2.153 1.00 0.00 C ATOM 259 CG PHE A 17 1.463 -2.468 -2.168 1.00 0.00 C ATOM 260 CD1 PHE A 17 0.913 -1.286 -2.641 1.00 0.00 C ATOM 261 CD2 PHE A 17 2.772 -2.456 -1.712 1.00 0.00 C ATOM 262 CE1 PHE A 17 1.653 -0.118 -2.655 1.00 0.00 C ATOM 263 CE2 PHE A 17 3.514 -1.290 -1.725 1.00 0.00 C ATOM 264 CZ PHE A 17 2.954 -0.121 -2.198 1.00 0.00 C ATOM 0 H PHE A 17 2.569 -3.995 -4.292 1.00 0.00 H new ATOM 0 HA PHE A 17 0.225 -5.484 -3.329 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.382 -3.491 -1.934 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.012 -4.371 -1.342 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.105 -1.278 -3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.217 -3.368 -1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.212 0.796 -3.024 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.532 -1.294 -1.365 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.534 0.790 -2.210 1.00 0.00 H new ATOM 274 N GLU A 18 -1.340 -3.856 -4.560 1.00 0.00 N ATOM 275 CA GLU A 18 -2.165 -3.097 -5.492 1.00 0.00 C ATOM 276 C GLU A 18 -2.827 -1.911 -4.802 1.00 0.00 C ATOM 277 O GLU A 18 -3.031 -1.922 -3.588 1.00 0.00 O ATOM 278 CB GLU A 18 -3.235 -3.998 -6.114 1.00 0.00 C ATOM 279 CG GLU A 18 -2.683 -5.141 -6.954 1.00 0.00 C ATOM 280 CD GLU A 18 -3.760 -5.968 -7.597 1.00 0.00 C ATOM 281 OE1 GLU A 18 -4.913 -5.690 -7.368 1.00 0.00 O ATOM 282 OE2 GLU A 18 -3.431 -6.879 -8.320 1.00 0.00 O ATOM 0 H GLU A 18 -1.866 -4.459 -3.927 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.514 -2.717 -6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.851 -4.414 -5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.889 -3.388 -6.737 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.033 -4.735 -7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.066 -5.783 -6.325 1.00 0.00 H new ATOM 289 N LEU A 19 -3.159 -0.889 -5.583 1.00 0.00 N ATOM 290 CA LEU A 19 -3.827 0.295 -5.053 1.00 0.00 C ATOM 291 C LEU A 19 -5.247 0.413 -5.591 1.00 0.00 C ATOM 292 O LEU A 19 -5.548 -0.065 -6.684 1.00 0.00 O ATOM 293 CB LEU A 19 -3.032 1.556 -5.410 1.00 0.00 C ATOM 294 CG LEU A 19 -1.593 1.610 -4.877 1.00 0.00 C ATOM 295 CD1 LEU A 19 -0.873 2.811 -5.476 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.617 1.687 -3.358 1.00 0.00 C ATOM 0 H LEU A 19 -2.977 -0.856 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.877 0.194 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.001 1.648 -6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.573 2.423 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.054 0.708 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.148 2.849 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.854 2.720 -6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.397 3.725 -5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.596 1.725 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.153 2.584 -3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.120 0.807 -2.957 1.00 0.00 H new ATOM 308 N PHE A 20 -6.116 1.054 -4.816 1.00 0.00 N ATOM 309 CA PHE A 20 -7.526 1.162 -5.173 1.00 0.00 C ATOM 310 C PHE A 20 -8.011 2.602 -5.072 1.00 0.00 C ATOM 311 O PHE A 20 -8.656 2.982 -4.095 1.00 0.00 O ATOM 312 CB PHE A 20 -8.376 0.267 -4.268 1.00 0.00 C ATOM 313 CG PHE A 20 -7.957 -1.175 -4.276 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.229 -1.986 -5.368 1.00 0.00 C ATOM 315 CD2 PHE A 20 -7.289 -1.725 -3.192 1.00 0.00 C ATOM 316 CE1 PHE A 20 -7.846 -3.313 -5.377 1.00 0.00 C ATOM 317 CE2 PHE A 20 -6.903 -3.052 -3.198 1.00 0.00 C ATOM 318 CZ PHE A 20 -7.181 -3.846 -4.289 1.00 0.00 C ATOM 0 H PHE A 20 -5.868 1.507 -3.936 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.632 0.833 -6.207 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.324 0.645 -3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.418 0.335 -4.581 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.747 -1.575 -6.222 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.068 -1.109 -2.333 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.066 -3.933 -6.233 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.383 -3.467 -2.347 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.880 -4.883 -4.294 1.00 0.00 H new ATOM 328 N PRO A 21 -7.696 3.399 -6.087 1.00 0.00 N ATOM 329 CA PRO A 21 -8.158 4.781 -6.147 1.00 0.00 C ATOM 330 C PRO A 21 -9.674 4.861 -6.024 1.00 0.00 C ATOM 331 O PRO A 21 -10.213 5.830 -5.490 1.00 0.00 O ATOM 332 CB PRO A 21 -7.678 5.245 -7.526 1.00 0.00 C ATOM 333 CG PRO A 21 -6.492 4.388 -7.808 1.00 0.00 C ATOM 334 CD PRO A 21 -6.862 3.041 -7.246 1.00 0.00 C ATOM 0 HA PRO A 21 -7.777 5.399 -5.334 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.452 5.114 -8.282 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.413 6.302 -7.520 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.289 4.330 -8.877 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.594 4.784 -7.334 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.409 2.436 -7.969 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.982 2.468 -6.952 1.00 0.00 H new ATOM 342 N ASN A 22 -10.358 3.836 -6.522 1.00 0.00 N ATOM 343 CA ASN A 22 -11.815 3.808 -6.510 1.00 0.00 C ATOM 344 C ASN A 22 -12.353 3.793 -5.084 1.00 0.00 C ATOM 345 O ASN A 22 -13.438 4.308 -4.813 1.00 0.00 O ATOM 346 CB ASN A 22 -12.334 2.614 -7.289 1.00 0.00 C ATOM 347 CG ASN A 22 -12.167 2.777 -8.774 1.00 0.00 C ATOM 348 OD1 ASN A 22 -12.029 3.899 -9.276 1.00 0.00 O ATOM 349 ND2 ASN A 22 -12.177 1.680 -9.487 1.00 0.00 N ATOM 0 H ASN A 22 -9.925 3.012 -6.940 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.171 4.717 -6.994 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.808 1.716 -6.964 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -13.389 2.466 -7.060 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.068 1.729 -10.500 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.294 0.776 -9.030 1.00 0.00 H new ATOM 356 N GLU A 23 -11.588 3.198 -4.175 1.00 0.00 N ATOM 357 CA GLU A 23 -11.988 3.110 -2.775 1.00 0.00 C ATOM 358 C GLU A 23 -11.558 4.349 -2.001 1.00 0.00 C ATOM 359 O GLU A 23 -12.311 4.872 -1.179 1.00 0.00 O ATOM 360 CB GLU A 23 -11.391 1.859 -2.127 1.00 0.00 C ATOM 361 CG GLU A 23 -11.910 0.547 -2.699 1.00 0.00 C ATOM 362 CD GLU A 23 -11.257 -0.658 -2.081 1.00 0.00 C ATOM 363 OE1 GLU A 23 -10.405 -0.485 -1.243 1.00 0.00 O ATOM 364 OE2 GLU A 23 -11.612 -1.754 -2.446 1.00 0.00 O ATOM 0 H GLU A 23 -10.686 2.769 -4.383 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.076 3.045 -2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.307 1.888 -2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.600 1.883 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.987 0.490 -2.544 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.741 0.534 -3.776 1.00 0.00 H new ATOM 371 N ALA A 24 -10.343 4.816 -2.269 1.00 0.00 N ATOM 372 CA ALA A 24 -9.810 5.996 -1.597 1.00 0.00 C ATOM 373 C ALA A 24 -8.962 6.833 -2.545 1.00 0.00 C ATOM 374 O ALA A 24 -7.740 6.692 -2.589 1.00 0.00 O ATOM 375 CB ALA A 24 -8.995 5.587 -0.378 1.00 0.00 C ATOM 0 H ALA A 24 -9.708 4.395 -2.947 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.651 6.607 -1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.604 6.478 0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.631 5.039 0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.167 4.951 -0.691 1.00 0.00 H new ATOM 381 N PRO A 25 -9.618 7.707 -3.301 1.00 0.00 N ATOM 382 CA PRO A 25 -8.947 8.468 -4.349 1.00 0.00 C ATOM 383 C PRO A 25 -7.752 9.233 -3.794 1.00 0.00 C ATOM 384 O PRO A 25 -6.618 9.027 -4.225 1.00 0.00 O ATOM 385 CB PRO A 25 -10.045 9.416 -4.842 1.00 0.00 C ATOM 386 CG PRO A 25 -11.306 8.646 -4.650 1.00 0.00 C ATOM 387 CD PRO A 25 -11.097 7.901 -3.358 1.00 0.00 C ATOM 0 HA PRO A 25 -8.538 7.843 -5.143 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.055 10.345 -4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.898 9.686 -5.888 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.170 9.307 -4.592 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.484 7.961 -5.479 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.460 8.471 -2.503 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.627 6.948 -3.354 1.00 0.00 H new ATOM 395 N VAL A 26 -8.014 10.116 -2.836 1.00 0.00 N ATOM 396 CA VAL A 26 -7.006 11.059 -2.369 1.00 0.00 C ATOM 397 C VAL A 26 -5.937 10.360 -1.539 1.00 0.00 C ATOM 398 O VAL A 26 -4.755 10.693 -1.623 1.00 0.00 O ATOM 399 CB VAL A 26 -7.663 12.169 -1.525 1.00 0.00 C ATOM 400 CG1 VAL A 26 -6.604 13.094 -0.946 1.00 0.00 C ATOM 401 CG2 VAL A 26 -8.654 12.947 -2.375 1.00 0.00 C ATOM 0 H VAL A 26 -8.917 10.198 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.533 11.498 -3.247 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.201 11.712 -0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.085 13.872 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.927 12.521 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.039 13.553 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.115 13.730 -1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.133 13.398 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.426 12.272 -2.744 1.00 0.00 H new ATOM 411 N THR A 27 -6.360 9.388 -0.738 1.00 0.00 N ATOM 412 CA THR A 27 -5.434 8.607 0.073 1.00 0.00 C ATOM 413 C THR A 27 -4.396 7.906 -0.794 1.00 0.00 C ATOM 414 O THR A 27 -3.196 7.992 -0.533 1.00 0.00 O ATOM 415 CB THR A 27 -6.185 7.566 0.924 1.00 0.00 C ATOM 416 OG1 THR A 27 -7.104 8.232 1.800 1.00 0.00 O ATOM 417 CG2 THR A 27 -5.207 6.747 1.751 1.00 0.00 C ATOM 0 H THR A 27 -7.339 9.122 -0.633 1.00 0.00 H new ATOM 0 HA THR A 27 -4.922 9.303 0.737 1.00 0.00 H new ATOM 0 HB THR A 27 -6.729 6.898 0.256 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.888 8.524 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.756 6.017 2.346 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.515 6.228 1.088 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.648 7.408 2.413 1.00 0.00 H new ATOM 425 N VAL A 28 -4.865 7.214 -1.826 1.00 0.00 N ATOM 426 CA VAL A 28 -3.976 6.533 -2.759 1.00 0.00 C ATOM 427 C VAL A 28 -3.066 7.522 -3.475 1.00 0.00 C ATOM 428 O VAL A 28 -1.873 7.272 -3.646 1.00 0.00 O ATOM 429 CB VAL A 28 -4.795 5.748 -3.800 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.893 5.244 -4.918 1.00 0.00 C ATOM 431 CG2 VAL A 28 -5.516 4.589 -3.127 1.00 0.00 C ATOM 0 H VAL A 28 -5.857 7.110 -2.038 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.358 5.844 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.538 6.414 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.488 4.691 -5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.415 6.091 -5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.129 4.588 -4.501 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.093 4.039 -3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.785 3.923 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.187 4.974 -2.359 1.00 0.00 H new ATOM 441 N ALA A 29 -3.636 8.648 -3.892 1.00 0.00 N ATOM 442 CA ALA A 29 -2.872 9.687 -4.571 1.00 0.00 C ATOM 443 C ALA A 29 -1.699 10.156 -3.719 1.00 0.00 C ATOM 444 O ALA A 29 -0.561 10.198 -4.183 1.00 0.00 O ATOM 445 CB ALA A 29 -3.773 10.863 -4.924 1.00 0.00 C ATOM 0 H ALA A 29 -4.626 8.864 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.471 9.261 -5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.188 11.631 -5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.573 10.524 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.204 11.278 -4.013 1.00 0.00 H new ATOM 451 N ASN A 30 -1.986 10.507 -2.470 1.00 0.00 N ATOM 452 CA ASN A 30 -0.969 11.043 -1.572 1.00 0.00 C ATOM 453 C ASN A 30 0.097 10.001 -1.264 1.00 0.00 C ATOM 454 O ASN A 30 1.293 10.294 -1.293 1.00 0.00 O ATOM 455 CB ASN A 30 -1.603 11.554 -0.292 1.00 0.00 C ATOM 456 CG ASN A 30 -2.329 12.857 -0.487 1.00 0.00 C ATOM 457 OD1 ASN A 30 -2.093 13.573 -1.467 1.00 0.00 O ATOM 458 ND2 ASN A 30 -3.209 13.178 0.427 1.00 0.00 N ATOM 0 H ASN A 30 -2.915 10.430 -2.056 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.484 11.879 -2.075 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.300 10.807 0.087 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.830 11.683 0.466 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.733 14.050 0.347 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.371 12.556 1.219 1.00 0.00 H new ATOM 465 N PHE A 31 -0.341 8.782 -0.967 1.00 0.00 N ATOM 466 CA PHE A 31 0.576 7.675 -0.727 1.00 0.00 C ATOM 467 C PHE A 31 1.467 7.426 -1.936 1.00 0.00 C ATOM 468 O PHE A 31 2.672 7.214 -1.800 1.00 0.00 O ATOM 469 CB PHE A 31 -0.201 6.402 -0.388 1.00 0.00 C ATOM 470 CG PHE A 31 0.673 5.201 -0.160 1.00 0.00 C ATOM 471 CD1 PHE A 31 1.192 4.932 1.098 1.00 0.00 C ATOM 472 CD2 PHE A 31 0.979 4.339 -1.202 1.00 0.00 C ATOM 473 CE1 PHE A 31 1.997 3.828 1.309 1.00 0.00 C ATOM 474 CE2 PHE A 31 1.782 3.235 -0.994 1.00 0.00 C ATOM 475 CZ PHE A 31 2.291 2.979 0.263 1.00 0.00 C ATOM 0 H PHE A 31 -1.328 8.536 -0.887 1.00 0.00 H new ATOM 0 HA PHE A 31 1.209 7.946 0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.799 6.580 0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.896 6.185 -1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.965 5.592 1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.584 4.533 -2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.396 3.631 2.293 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.012 2.572 -1.815 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.918 2.115 0.427 1.00 0.00 H new ATOM 485 N GLU A 32 0.868 7.452 -3.122 1.00 0.00 N ATOM 486 CA GLU A 32 1.602 7.208 -4.358 1.00 0.00 C ATOM 487 C GLU A 32 2.649 8.288 -4.599 1.00 0.00 C ATOM 488 O GLU A 32 3.761 8.001 -5.041 1.00 0.00 O ATOM 489 CB GLU A 32 0.640 7.141 -5.546 1.00 0.00 C ATOM 490 CG GLU A 32 1.307 6.823 -6.877 1.00 0.00 C ATOM 491 CD GLU A 32 0.327 6.721 -8.012 1.00 0.00 C ATOM 492 OE1 GLU A 32 -0.850 6.841 -7.769 1.00 0.00 O ATOM 493 OE2 GLU A 32 0.755 6.525 -9.125 1.00 0.00 O ATOM 0 H GLU A 32 -0.126 7.640 -3.253 1.00 0.00 H new ATOM 0 HA GLU A 32 2.114 6.251 -4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.117 6.384 -5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.121 8.096 -5.632 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.040 7.597 -7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.853 5.884 -6.789 1.00 0.00 H new ATOM 500 N LYS A 33 2.286 9.533 -4.307 1.00 0.00 N ATOM 501 CA LYS A 33 3.219 10.647 -4.412 1.00 0.00 C ATOM 502 C LYS A 33 4.412 10.456 -3.484 1.00 0.00 C ATOM 503 O LYS A 33 5.561 10.624 -3.892 1.00 0.00 O ATOM 504 CB LYS A 33 2.514 11.967 -4.096 1.00 0.00 C ATOM 505 CG LYS A 33 1.546 12.437 -5.174 1.00 0.00 C ATOM 506 CD LYS A 33 0.853 13.729 -4.768 1.00 0.00 C ATOM 507 CE LYS A 33 -0.137 14.184 -5.831 1.00 0.00 C ATOM 508 NZ LYS A 33 -0.813 15.455 -5.455 1.00 0.00 N ATOM 0 H LYS A 33 1.351 9.795 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 33 3.587 10.678 -5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.969 11.859 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.267 12.739 -3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.085 12.589 -6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.800 11.664 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.332 13.583 -3.822 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.598 14.508 -4.605 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.384 14.317 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.886 13.407 -5.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.479 15.729 -6.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.332 15.322 -4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.101 16.204 -5.332 1.00 0.00 H new ATOM 522 N LEU A 34 4.133 10.104 -2.234 1.00 0.00 N ATOM 523 CA LEU A 34 5.184 9.844 -1.258 1.00 0.00 C ATOM 524 C LEU A 34 6.119 8.740 -1.737 1.00 0.00 C ATOM 525 O LEU A 34 7.341 8.890 -1.703 1.00 0.00 O ATOM 526 CB LEU A 34 4.570 9.452 0.092 1.00 0.00 C ATOM 527 CG LEU A 34 3.877 10.584 0.861 1.00 0.00 C ATOM 528 CD1 LEU A 34 3.119 10.003 2.046 1.00 0.00 C ATOM 529 CD2 LEU A 34 4.915 11.598 1.317 1.00 0.00 C ATOM 0 H LEU A 34 3.186 9.992 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 34 5.764 10.759 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.845 8.655 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.357 9.038 0.722 1.00 0.00 H new ATOM 0 HG LEU A 34 3.163 11.093 0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.627 10.807 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.370 9.296 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.816 9.489 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.422 12.402 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.640 11.109 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.427 12.011 0.448 1.00 0.00 H new ATOM 541 N ALA A 35 5.539 7.631 -2.182 1.00 0.00 N ATOM 542 CA ALA A 35 6.318 6.503 -2.675 1.00 0.00 C ATOM 543 C ALA A 35 7.140 6.893 -3.897 1.00 0.00 C ATOM 544 O ALA A 35 8.294 6.486 -4.036 1.00 0.00 O ATOM 545 CB ALA A 35 5.404 5.331 -3.005 1.00 0.00 C ATOM 0 H ALA A 35 4.529 7.490 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 35 7.008 6.201 -1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.001 4.496 -3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.866 5.025 -2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.690 5.631 -3.772 1.00 0.00 H new ATOM 551 N ASN A 36 6.540 7.684 -4.779 1.00 0.00 N ATOM 552 CA ASN A 36 7.215 8.131 -5.992 1.00 0.00 C ATOM 553 C ASN A 36 8.374 9.064 -5.664 1.00 0.00 C ATOM 554 O ASN A 36 9.365 9.118 -6.394 1.00 0.00 O ATOM 555 CB ASN A 36 6.234 8.809 -6.930 1.00 0.00 C ATOM 556 CG ASN A 36 6.838 9.117 -8.273 1.00 0.00 C ATOM 557 OD1 ASN A 36 7.229 8.208 -9.014 1.00 0.00 O ATOM 558 ND2 ASN A 36 6.921 10.381 -8.600 1.00 0.00 N ATOM 0 H ASN A 36 5.586 8.030 -4.677 1.00 0.00 H new ATOM 0 HA ASN A 36 7.622 7.252 -6.492 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.364 8.167 -7.066 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.880 9.734 -6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.321 10.650 -9.499 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.585 11.097 -7.956 1.00 0.00 H new ATOM 565 N GLU A 37 8.245 9.795 -4.562 1.00 0.00 N ATOM 566 CA GLU A 37 9.307 10.684 -4.104 1.00 0.00 C ATOM 567 C GLU A 37 10.376 9.915 -3.339 1.00 0.00 C ATOM 568 O GLU A 37 11.401 10.477 -2.951 1.00 0.00 O ATOM 569 CB GLU A 37 8.731 11.792 -3.221 1.00 0.00 C ATOM 570 CG GLU A 37 7.874 12.808 -3.963 1.00 0.00 C ATOM 571 CD GLU A 37 7.169 13.764 -3.042 1.00 0.00 C ATOM 572 OE1 GLU A 37 7.835 14.444 -2.300 1.00 0.00 O ATOM 573 OE2 GLU A 37 5.963 13.814 -3.080 1.00 0.00 O ATOM 0 H GLU A 37 7.415 9.789 -3.969 1.00 0.00 H new ATOM 0 HA GLU A 37 9.770 11.132 -4.984 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.132 11.337 -2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.553 12.316 -2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.503 13.372 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.135 12.281 -4.566 1.00 0.00 H new ATOM 580 N GLY A 38 10.132 8.626 -3.124 1.00 0.00 N ATOM 581 CA GLY A 38 11.062 7.785 -2.381 1.00 0.00 C ATOM 582 C GLY A 38 10.991 8.070 -0.887 1.00 0.00 C ATOM 583 O GLY A 38 11.950 7.829 -0.153 1.00 0.00 O ATOM 0 H GLY A 38 9.297 8.142 -3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.833 6.735 -2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.077 7.957 -2.739 1.00 0.00 H new ATOM 587 N PHE A 39 9.850 8.584 -0.442 1.00 0.00 N ATOM 588 CA PHE A 39 9.687 9.002 0.946 1.00 0.00 C ATOM 589 C PHE A 39 9.981 7.854 1.904 1.00 0.00 C ATOM 590 O PHE A 39 10.632 8.042 2.931 1.00 0.00 O ATOM 591 CB PHE A 39 8.269 9.523 1.184 1.00 0.00 C ATOM 592 CG PHE A 39 7.984 9.869 2.618 1.00 0.00 C ATOM 593 CD1 PHE A 39 8.518 11.015 3.189 1.00 0.00 C ATOM 594 CD2 PHE A 39 7.182 9.050 3.398 1.00 0.00 C ATOM 595 CE1 PHE A 39 8.257 11.334 4.508 1.00 0.00 C ATOM 596 CE2 PHE A 39 6.918 9.367 4.717 1.00 0.00 C ATOM 597 CZ PHE A 39 7.457 10.511 5.271 1.00 0.00 C ATOM 0 H PHE A 39 9.023 8.722 -1.023 1.00 0.00 H new ATOM 0 HA PHE A 39 10.401 9.803 1.138 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.108 10.407 0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.554 8.770 0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.145 11.665 2.596 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.759 8.154 2.970 1.00 0.00 H new ATOM 0 HE1 PHE A 39 8.680 12.228 4.941 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.291 8.721 5.313 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.252 10.761 6.302 1.00 0.00 H new ATOM 607 N TYR A 40 9.494 6.666 1.562 1.00 0.00 N ATOM 608 CA TYR A 40 9.583 5.516 2.455 1.00 0.00 C ATOM 609 C TYR A 40 10.937 4.829 2.334 1.00 0.00 C ATOM 610 O TYR A 40 11.227 3.875 3.057 1.00 0.00 O ATOM 611 CB TYR A 40 8.457 4.522 2.162 1.00 0.00 C ATOM 612 CG TYR A 40 7.073 5.076 2.422 1.00 0.00 C ATOM 613 CD1 TYR A 40 6.559 5.081 3.711 1.00 0.00 C ATOM 614 CD2 TYR A 40 6.317 5.577 1.372 1.00 0.00 C ATOM 615 CE1 TYR A 40 5.295 5.586 3.948 1.00 0.00 C ATOM 616 CE2 TYR A 40 5.053 6.081 1.610 1.00 0.00 C ATOM 617 CZ TYR A 40 4.543 6.085 2.903 1.00 0.00 C ATOM 618 OH TYR A 40 3.285 6.587 3.140 1.00 0.00 O ATOM 0 H TYR A 40 9.033 6.474 0.672 1.00 0.00 H new ATOM 0 HA TYR A 40 9.476 5.878 3.478 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.523 4.208 1.120 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.603 3.631 2.773 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.147 4.690 4.529 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.717 5.573 0.369 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.895 5.590 4.951 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.463 6.471 0.794 1.00 0.00 H new ATOM 0 HH TYR A 40 3.145 6.676 4.106 1.00 0.00 H new ATOM 628 N ASN A 41 11.764 5.320 1.417 1.00 0.00 N ATOM 629 CA ASN A 41 13.139 4.848 1.294 1.00 0.00 C ATOM 630 C ASN A 41 13.985 5.298 2.479 1.00 0.00 C ATOM 631 O ASN A 41 14.424 6.446 2.539 1.00 0.00 O ATOM 632 CB ASN A 41 13.751 5.322 -0.011 1.00 0.00 C ATOM 633 CG ASN A 41 15.136 4.778 -0.230 1.00 0.00 C ATOM 634 OD1 ASN A 41 15.886 4.552 0.725 1.00 0.00 O ATOM 635 ND2 ASN A 41 15.488 4.563 -1.472 1.00 0.00 N ATOM 0 H ASN A 41 11.506 6.045 0.748 1.00 0.00 H new ATOM 0 HA ASN A 41 13.120 3.758 1.292 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.110 5.020 -0.840 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.787 6.411 -0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 41 16.415 4.194 -1.683 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.835 4.764 -2.229 1.00 0.00 H new ATOM 642 N GLY A 42 14.208 4.388 3.420 1.00 0.00 N ATOM 643 CA GLY A 42 15.085 4.655 4.552 1.00 0.00 C ATOM 644 C GLY A 42 14.294 4.765 5.849 1.00 0.00 C ATOM 645 O GLY A 42 14.869 4.898 6.930 1.00 0.00 O ATOM 0 H GLY A 42 13.792 3.457 3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.823 3.857 4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.635 5.580 4.379 1.00 0.00 H new ATOM 649 N LEU A 43 12.971 4.710 5.735 1.00 0.00 N ATOM 650 CA LEU A 43 12.099 4.769 6.902 1.00 0.00 C ATOM 651 C LEU A 43 12.015 3.415 7.595 1.00 0.00 C ATOM 652 O LEU A 43 12.497 2.408 7.075 1.00 0.00 O ATOM 653 CB LEU A 43 10.694 5.226 6.490 1.00 0.00 C ATOM 654 CG LEU A 43 10.604 6.630 5.877 1.00 0.00 C ATOM 655 CD1 LEU A 43 9.143 7.041 5.760 1.00 0.00 C ATOM 656 CD2 LEU A 43 11.381 7.612 6.741 1.00 0.00 C ATOM 0 H LEU A 43 12.479 4.625 4.845 1.00 0.00 H new ATOM 0 HA LEU A 43 12.524 5.488 7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.295 4.510 5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.048 5.191 7.368 1.00 0.00 H new ATOM 0 HG LEU A 43 11.042 6.629 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.079 8.038 5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.616 6.332 5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.686 7.047 6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.317 8.609 6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.958 7.627 7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.425 7.305 6.792 1.00 0.00 H new ATOM 668 N THR A 44 11.401 3.395 8.774 1.00 0.00 N ATOM 669 CA THR A 44 11.355 2.192 9.595 1.00 0.00 C ATOM 670 C THR A 44 9.927 1.866 10.015 1.00 0.00 C ATOM 671 O THR A 44 9.016 2.671 9.827 1.00 0.00 O ATOM 672 CB THR A 44 12.241 2.341 10.846 1.00 0.00 C ATOM 673 OG1 THR A 44 11.684 3.339 11.712 1.00 0.00 O ATOM 674 CG2 THR A 44 13.653 2.745 10.454 1.00 0.00 C ATOM 0 H THR A 44 10.928 4.201 9.182 1.00 0.00 H new ATOM 0 HA THR A 44 11.738 1.372 8.988 1.00 0.00 H new ATOM 0 HB THR A 44 12.280 1.382 11.363 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.359 4.092 11.176 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.265 2.846 11.350 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.083 1.982 9.805 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.625 3.698 9.925 1.00 0.00 H new ATOM 682 N PHE A 45 9.741 0.679 10.583 1.00 0.00 N ATOM 683 CA PHE A 45 8.467 0.314 11.191 1.00 0.00 C ATOM 684 C PHE A 45 8.414 0.734 12.654 1.00 0.00 C ATOM 685 O PHE A 45 9.439 0.777 13.335 1.00 0.00 O ATOM 686 CB PHE A 45 8.235 -1.195 11.081 1.00 0.00 C ATOM 687 CG PHE A 45 7.971 -1.665 9.678 1.00 0.00 C ATOM 688 CD1 PHE A 45 6.688 -1.644 9.153 1.00 0.00 C ATOM 689 CD2 PHE A 45 9.007 -2.131 8.882 1.00 0.00 C ATOM 690 CE1 PHE A 45 6.444 -2.078 7.865 1.00 0.00 C ATOM 691 CE2 PHE A 45 8.765 -2.565 7.592 1.00 0.00 C ATOM 692 CZ PHE A 45 7.485 -2.538 7.084 1.00 0.00 C ATOM 0 H PHE A 45 10.456 -0.046 10.635 1.00 0.00 H new ATOM 0 HA PHE A 45 7.680 0.840 10.651 1.00 0.00 H new ATOM 0 HB2 PHE A 45 9.108 -1.717 11.471 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.390 -1.471 11.712 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.870 -1.284 9.759 1.00 0.00 H new ATOM 0 HD2 PHE A 45 10.013 -2.155 9.274 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.439 -2.058 7.469 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.580 -2.925 6.982 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.296 -2.876 6.076 1.00 0.00 H new ATOM 702 N HIS A 46 7.215 1.045 13.132 1.00 0.00 N ATOM 703 CA HIS A 46 7.040 1.576 14.479 1.00 0.00 C ATOM 704 C HIS A 46 6.589 0.489 15.446 1.00 0.00 C ATOM 705 O HIS A 46 7.068 0.412 16.577 1.00 0.00 O ATOM 706 CB HIS A 46 6.025 2.724 14.482 1.00 0.00 C ATOM 707 CG HIS A 46 5.540 3.095 15.849 1.00 0.00 C ATOM 708 ND1 HIS A 46 6.377 3.595 16.823 1.00 0.00 N ATOM 709 CD2 HIS A 46 4.307 3.038 16.403 1.00 0.00 C ATOM 710 CE1 HIS A 46 5.677 3.831 17.920 1.00 0.00 C ATOM 711 NE2 HIS A 46 4.419 3.502 17.690 1.00 0.00 N ATOM 0 H HIS A 46 6.348 0.938 12.606 1.00 0.00 H new ATOM 0 HA HIS A 46 8.007 1.955 14.810 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.479 3.599 14.017 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.170 2.443 13.867 1.00 0.00 H new ATOM 0 HD1 HIS A 46 7.378 3.757 16.715 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.404 2.692 15.923 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.068 4.226 18.846 1.00 0.00 H new ATOM 718 N ARG A 47 5.663 -0.349 14.994 1.00 0.00 N ATOM 719 CA ARG A 47 5.069 -1.370 15.851 1.00 0.00 C ATOM 720 C ARG A 47 4.548 -2.543 15.030 1.00 0.00 C ATOM 721 O ARG A 47 3.376 -2.579 14.657 1.00 0.00 O ATOM 722 CB ARG A 47 3.931 -0.784 16.672 1.00 0.00 C ATOM 723 CG ARG A 47 3.313 -1.738 17.682 1.00 0.00 C ATOM 724 CD ARG A 47 2.350 -1.046 18.575 1.00 0.00 C ATOM 725 NE ARG A 47 1.665 -1.975 19.459 1.00 0.00 N ATOM 726 CZ ARG A 47 0.697 -1.630 20.330 1.00 0.00 C ATOM 727 NH1 ARG A 47 0.309 -0.377 20.420 1.00 0.00 N ATOM 728 NH2 ARG A 47 0.135 -2.552 21.092 1.00 0.00 N ATOM 0 H ARG A 47 5.307 -0.342 14.038 1.00 0.00 H new ATOM 0 HA ARG A 47 5.850 -1.730 16.521 1.00 0.00 H new ATOM 0 HB2 ARG A 47 4.299 0.094 17.202 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.151 -0.442 15.992 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.805 -2.546 17.155 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.101 -2.194 18.281 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.878 -0.301 19.170 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.616 -0.511 17.972 1.00 0.00 H new ATOM 0 HE ARG A 47 1.937 -2.957 19.417 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.741 0.334 19.830 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.424 -0.116 21.080 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.434 -3.524 21.021 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.598 -2.291 21.752 1.00 0.00 H new ATOM 742 N VAL A 48 5.425 -3.500 14.751 1.00 0.00 N ATOM 743 CA VAL A 48 5.051 -4.685 13.988 1.00 0.00 C ATOM 744 C VAL A 48 4.505 -5.776 14.898 1.00 0.00 C ATOM 745 O VAL A 48 5.126 -6.131 15.901 1.00 0.00 O ATOM 746 CB VAL A 48 6.267 -5.227 13.212 1.00 0.00 C ATOM 747 CG1 VAL A 48 5.904 -6.515 12.488 1.00 0.00 C ATOM 748 CG2 VAL A 48 6.764 -4.178 12.231 1.00 0.00 C ATOM 0 H VAL A 48 6.402 -3.478 15.042 1.00 0.00 H new ATOM 0 HA VAL A 48 4.270 -4.394 13.286 1.00 0.00 H new ATOM 0 HB VAL A 48 7.067 -5.450 13.918 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.774 -6.885 11.945 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.585 -7.263 13.214 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.093 -6.322 11.786 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.624 -4.568 11.686 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.969 -3.932 11.527 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.056 -3.280 12.776 1.00 0.00 H new ATOM 758 N ILE A 49 3.340 -6.307 14.544 1.00 0.00 N ATOM 759 CA ILE A 49 2.720 -7.379 15.315 1.00 0.00 C ATOM 760 C ILE A 49 2.425 -8.589 14.438 1.00 0.00 C ATOM 761 O ILE A 49 1.386 -8.653 13.780 1.00 0.00 O ATOM 762 CB ILE A 49 1.417 -6.896 15.979 1.00 0.00 C ATOM 763 CG1 ILE A 49 1.678 -5.641 16.815 1.00 0.00 C ATOM 764 CG2 ILE A 49 0.817 -7.998 16.838 1.00 0.00 C ATOM 765 CD1 ILE A 49 0.421 -4.987 17.343 1.00 0.00 C ATOM 0 H ILE A 49 2.805 -6.012 13.727 1.00 0.00 H new ATOM 0 HA ILE A 49 3.428 -7.672 16.090 1.00 0.00 H new ATOM 0 HB ILE A 49 0.701 -6.645 15.196 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.321 -5.903 17.656 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.225 -4.919 16.209 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.103 -7.639 17.300 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.597 -8.865 16.216 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.527 -8.280 17.616 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.687 -4.105 17.925 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.214 -4.693 16.508 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.117 -5.692 17.977 1.00 0.00 H new ATOM 777 N PRO A 50 3.345 -9.548 14.432 1.00 0.00 N ATOM 778 CA PRO A 50 3.189 -10.755 13.630 1.00 0.00 C ATOM 779 C PRO A 50 1.864 -11.446 13.928 1.00 0.00 C ATOM 780 O PRO A 50 1.612 -11.867 15.057 1.00 0.00 O ATOM 781 CB PRO A 50 4.383 -11.613 14.063 1.00 0.00 C ATOM 782 CG PRO A 50 5.422 -10.620 14.458 1.00 0.00 C ATOM 783 CD PRO A 50 4.650 -9.520 15.136 1.00 0.00 C ATOM 0 HA PRO A 50 3.172 -10.562 12.557 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.122 -12.268 14.894 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.730 -12.251 13.251 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.158 -11.061 15.130 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.966 -10.247 13.590 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.537 -9.705 16.204 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.145 -8.555 15.031 1.00 0.00 H new ATOM 791 N GLY A 51 1.020 -11.560 12.908 1.00 0.00 N ATOM 792 CA GLY A 51 -0.260 -12.244 13.046 1.00 0.00 C ATOM 793 C GLY A 51 -1.407 -11.250 13.168 1.00 0.00 C ATOM 794 O GLY A 51 -2.576 -11.617 13.053 1.00 0.00 O ATOM 0 H GLY A 51 1.200 -11.187 11.976 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.425 -12.889 12.183 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.238 -12.887 13.926 1.00 0.00 H new ATOM 798 N PHE A 52 -1.065 -9.987 13.402 1.00 0.00 N ATOM 799 CA PHE A 52 -2.059 -8.921 13.449 1.00 0.00 C ATOM 800 C PHE A 52 -1.597 -7.701 12.662 1.00 0.00 C ATOM 801 O PHE A 52 -0.629 -7.770 11.905 1.00 0.00 O ATOM 802 CB PHE A 52 -2.344 -8.521 14.898 1.00 0.00 C ATOM 803 CG PHE A 52 -2.939 -9.624 15.725 1.00 0.00 C ATOM 804 CD1 PHE A 52 -4.289 -9.927 15.639 1.00 0.00 C ATOM 805 CD2 PHE A 52 -2.148 -10.364 16.592 1.00 0.00 C ATOM 806 CE1 PHE A 52 -4.837 -10.941 16.399 1.00 0.00 C ATOM 807 CE2 PHE A 52 -2.693 -11.380 17.354 1.00 0.00 C ATOM 808 CZ PHE A 52 -4.038 -11.668 17.258 1.00 0.00 C ATOM 0 H PHE A 52 -0.107 -9.677 13.562 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.973 -9.300 12.993 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.415 -8.191 15.363 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -3.023 -7.669 14.903 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.920 -9.363 14.969 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.094 -10.143 16.672 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.891 -11.165 16.321 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.066 -11.948 18.025 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.465 -12.461 17.854 1.00 0.00 H new ATOM 818 N VAL A 53 -2.294 -6.586 12.846 1.00 0.00 N ATOM 819 CA VAL A 53 -1.974 -5.356 12.131 1.00 0.00 C ATOM 820 C VAL A 53 -0.635 -4.789 12.583 1.00 0.00 C ATOM 821 O VAL A 53 -0.318 -4.794 13.773 1.00 0.00 O ATOM 822 CB VAL A 53 -3.076 -4.304 12.358 1.00 0.00 C ATOM 823 CG1 VAL A 53 -3.038 -3.794 13.791 1.00 0.00 C ATOM 824 CG2 VAL A 53 -2.908 -3.157 11.373 1.00 0.00 C ATOM 0 H VAL A 53 -3.085 -6.508 13.485 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.911 -5.597 11.070 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.048 -4.768 12.190 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.823 -3.052 13.934 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.196 -4.626 14.478 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.068 -3.339 13.990 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.691 -2.417 11.539 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.933 -2.693 11.518 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.980 -3.539 10.355 1.00 0.00 H new ATOM 834 N SER A 54 0.149 -4.301 11.629 1.00 0.00 N ATOM 835 CA SER A 54 1.456 -3.727 11.927 1.00 0.00 C ATOM 836 C SER A 54 1.540 -2.278 11.466 1.00 0.00 C ATOM 837 O SER A 54 1.048 -1.929 10.393 1.00 0.00 O ATOM 838 CB SER A 54 2.547 -4.543 11.263 1.00 0.00 C ATOM 839 OG SER A 54 2.589 -5.844 11.782 1.00 0.00 O ATOM 0 H SER A 54 -0.099 -4.291 10.640 1.00 0.00 H new ATOM 0 HA SER A 54 1.595 -3.749 13.008 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.373 -4.582 10.188 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.511 -4.057 11.412 1.00 0.00 H new ATOM 0 HG SER A 54 2.905 -6.462 11.090 1.00 0.00 H new ATOM 845 N GLN A 55 2.167 -1.438 12.282 1.00 0.00 N ATOM 846 CA GLN A 55 2.273 -0.015 11.984 1.00 0.00 C ATOM 847 C GLN A 55 3.694 0.360 11.582 1.00 0.00 C ATOM 848 O GLN A 55 4.655 0.016 12.269 1.00 0.00 O ATOM 849 CB GLN A 55 1.835 0.820 13.190 1.00 0.00 C ATOM 850 CG GLN A 55 1.823 2.318 12.939 1.00 0.00 C ATOM 851 CD GLN A 55 1.253 3.096 14.110 1.00 0.00 C ATOM 852 OE1 GLN A 55 0.674 2.519 15.034 1.00 0.00 O ATOM 853 NE2 GLN A 55 1.413 4.414 14.077 1.00 0.00 N ATOM 0 H GLN A 55 2.610 -1.719 13.157 1.00 0.00 H new ATOM 0 HA GLN A 55 1.611 0.198 11.144 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.836 0.506 13.492 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.502 0.608 14.026 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.839 2.658 12.740 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.236 2.529 12.045 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.899 4.849 13.293 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.050 4.991 14.836 1.00 0.00 H new ATOM 862 N GLY A 56 3.820 1.065 10.463 1.00 0.00 N ATOM 863 CA GLY A 56 5.123 1.495 9.971 1.00 0.00 C ATOM 864 C GLY A 56 5.027 2.836 9.256 1.00 0.00 C ATOM 865 O GLY A 56 3.934 3.364 9.050 1.00 0.00 O ATOM 0 H GLY A 56 3.034 1.351 9.879 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.821 1.573 10.804 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.523 0.744 9.289 1.00 0.00 H new ATOM 869 N GLY A 57 6.178 3.383 8.878 1.00 0.00 N ATOM 870 CA GLY A 57 6.220 4.605 8.082 1.00 0.00 C ATOM 871 C GLY A 57 6.756 5.774 8.897 1.00 0.00 C ATOM 872 O GLY A 57 6.308 6.911 8.739 1.00 0.00 O ATOM 0 H GLY A 57 7.094 2.999 9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.850 4.450 7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.220 4.840 7.718 1.00 0.00 H new ATOM 876 N CYS A 58 7.718 5.491 9.769 1.00 0.00 N ATOM 877 CA CYS A 58 8.288 6.511 10.640 1.00 0.00 C ATOM 878 C CYS A 58 9.781 6.680 10.390 1.00 0.00 C ATOM 879 O CYS A 58 10.478 5.717 10.069 1.00 0.00 O ATOM 880 CB CYS A 58 8.059 6.153 12.110 1.00 0.00 C ATOM 881 SG CYS A 58 6.316 6.034 12.578 1.00 0.00 S ATOM 0 H CYS A 58 8.120 4.561 9.891 1.00 0.00 H new ATOM 0 HA CYS A 58 7.786 7.451 10.413 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.547 5.201 12.321 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.542 6.904 12.735 1.00 0.00 H new ATOM 0 HG CYS A 58 5.952 7.129 13.176 1.00 0.00 H new ATOM 887 N PRO A 59 10.266 7.907 10.539 1.00 0.00 N ATOM 888 CA PRO A 59 11.662 8.218 10.257 1.00 0.00 C ATOM 889 C PRO A 59 12.569 7.761 11.393 1.00 0.00 C ATOM 890 O PRO A 59 13.770 7.572 11.203 1.00 0.00 O ATOM 891 CB PRO A 59 11.655 9.745 10.120 1.00 0.00 C ATOM 892 CG PRO A 59 10.541 10.186 11.007 1.00 0.00 C ATOM 893 CD PRO A 59 9.485 9.125 10.839 1.00 0.00 C ATOM 0 HA PRO A 59 12.045 7.714 9.370 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.606 10.177 10.430 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.487 10.052 9.088 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.866 10.262 12.045 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.167 11.168 10.717 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.888 9.006 11.743 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.795 9.369 10.031 1.00 0.00 H new ATOM 901 N ARG A 60 11.986 7.586 12.574 1.00 0.00 N ATOM 902 CA ARG A 60 12.748 7.192 13.753 1.00 0.00 C ATOM 903 C ARG A 60 12.047 6.075 14.514 1.00 0.00 C ATOM 904 O ARG A 60 12.538 5.607 15.541 1.00 0.00 O ATOM 905 CB ARG A 60 12.953 8.382 14.680 1.00 0.00 C ATOM 906 CG ARG A 60 13.748 9.531 14.079 1.00 0.00 C ATOM 907 CD ARG A 60 15.174 9.167 13.879 1.00 0.00 C ATOM 908 NE ARG A 60 15.953 10.285 13.373 1.00 0.00 N ATOM 909 CZ ARG A 60 16.103 10.585 12.068 1.00 0.00 C ATOM 910 NH1 ARG A 60 15.523 9.842 11.151 1.00 0.00 N ATOM 911 NH2 ARG A 60 16.834 11.626 11.708 1.00 0.00 N ATOM 0 H ARG A 60 10.987 7.711 12.740 1.00 0.00 H new ATOM 0 HA ARG A 60 13.717 6.829 13.410 1.00 0.00 H new ATOM 0 HB2 ARG A 60 11.977 8.757 14.988 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.462 8.039 15.581 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.308 9.817 13.124 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.683 10.400 14.733 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.598 8.827 14.824 1.00 0.00 H new ATOM 0 HD3 ARG A 60 15.241 8.332 13.181 1.00 0.00 H new ATOM 0 HE ARG A 60 16.419 10.885 14.054 1.00 0.00 H new ATOM 0 HH11 ARG A 60 14.959 9.038 11.428 1.00 0.00 H new ATOM 0 HH12 ARG A 60 15.637 10.070 10.163 1.00 0.00 H new ATOM 0 HH21 ARG A 60 17.285 12.203 12.418 1.00 0.00 H new ATOM 0 HH22 ARG A 60 16.947 11.853 10.720 1.00 0.00 H new ATOM 925 N GLY A 61 10.895 5.650 14.004 1.00 0.00 N ATOM 926 CA GLY A 61 10.086 4.640 14.675 1.00 0.00 C ATOM 927 C GLY A 61 9.431 5.203 15.930 1.00 0.00 C ATOM 928 O GLY A 61 9.119 4.465 16.864 1.00 0.00 O ATOM 0 H GLY A 61 10.501 5.990 13.127 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.318 4.274 13.994 1.00 0.00 H new ATOM 0 HA3 GLY A 61 10.711 3.787 14.939 1.00 0.00 H new ATOM 932 N ASN A 62 9.226 6.516 15.945 1.00 0.00 N ATOM 933 CA ASN A 62 8.709 7.197 17.127 1.00 0.00 C ATOM 934 C ASN A 62 7.203 7.401 17.031 1.00 0.00 C ATOM 935 O ASN A 62 6.588 7.991 17.920 1.00 0.00 O ATOM 936 CB ASN A 62 9.417 8.524 17.330 1.00 0.00 C ATOM 937 CG ASN A 62 9.183 9.483 16.196 1.00 0.00 C ATOM 938 OD1 ASN A 62 8.522 9.145 15.207 1.00 0.00 O ATOM 939 ND2 ASN A 62 9.713 10.672 16.319 1.00 0.00 N ATOM 0 H ASN A 62 9.410 7.130 15.152 1.00 0.00 H new ATOM 0 HA ASN A 62 8.906 6.564 17.992 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.074 8.976 18.260 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.487 8.348 17.437 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.589 11.365 15.581 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.251 10.907 17.153 1.00 0.00 H new ATOM 946 N GLY A 63 6.612 6.910 15.947 1.00 0.00 N ATOM 947 CA GLY A 63 5.167 6.977 15.765 1.00 0.00 C ATOM 948 C GLY A 63 4.738 8.348 15.260 1.00 0.00 C ATOM 949 O GLY A 63 3.558 8.696 15.307 1.00 0.00 O ATOM 0 H GLY A 63 7.112 6.461 15.180 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.851 6.211 15.057 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.669 6.763 16.710 1.00 0.00 H new ATOM 953 N THR A 64 5.702 9.123 14.777 1.00 0.00 N ATOM 954 CA THR A 64 5.419 10.440 14.218 1.00 0.00 C ATOM 955 C THR A 64 5.988 10.575 12.811 1.00 0.00 C ATOM 956 O THR A 64 7.196 10.454 12.606 1.00 0.00 O ATOM 957 CB THR A 64 5.985 11.557 15.114 1.00 0.00 C ATOM 958 OG1 THR A 64 5.401 11.467 16.421 1.00 0.00 O ATOM 959 CG2 THR A 64 5.682 12.924 14.520 1.00 0.00 C ATOM 0 H THR A 64 6.688 8.862 14.761 1.00 0.00 H new ATOM 0 HA THR A 64 4.335 10.543 14.170 1.00 0.00 H new ATOM 0 HB THR A 64 7.066 11.434 15.182 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.763 12.177 16.991 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.090 13.700 15.167 1.00 0.00 H new ATOM 0 HG22 THR A 64 6.136 13.000 13.532 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.603 13.053 14.435 1.00 0.00 H new ATOM 967 N GLY A 65 5.111 10.826 11.845 1.00 0.00 N ATOM 968 CA GLY A 65 5.524 10.979 10.456 1.00 0.00 C ATOM 969 C GLY A 65 6.150 12.347 10.215 1.00 0.00 C ATOM 970 O GLY A 65 5.956 13.276 10.999 1.00 0.00 O ATOM 0 H GLY A 65 4.108 10.928 12.000 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.240 10.198 10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.662 10.850 9.801 1.00 0.00 H new ATOM 974 N ASP A 66 6.901 12.465 9.126 1.00 0.00 N ATOM 975 CA ASP A 66 7.591 13.709 8.802 1.00 0.00 C ATOM 976 C ASP A 66 7.322 14.128 7.362 1.00 0.00 C ATOM 977 O ASP A 66 8.075 14.911 6.783 1.00 0.00 O ATOM 978 CB ASP A 66 9.098 13.560 9.024 1.00 0.00 C ATOM 979 CG ASP A 66 9.738 12.545 8.085 1.00 0.00 C ATOM 980 OD1 ASP A 66 9.230 11.452 7.989 1.00 0.00 O ATOM 981 OD2 ASP A 66 10.727 12.871 7.474 1.00 0.00 O ATOM 0 H ASP A 66 7.048 11.714 8.452 1.00 0.00 H new ATOM 0 HA ASP A 66 7.206 14.484 9.465 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.578 14.529 8.886 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.280 13.259 10.056 1.00 0.00 H new ATOM 986 N ALA A 67 6.244 13.603 6.789 1.00 0.00 N ATOM 987 CA ALA A 67 5.862 13.939 5.422 1.00 0.00 C ATOM 988 C ALA A 67 5.333 15.364 5.333 1.00 0.00 C ATOM 989 O ALA A 67 5.771 16.148 4.491 1.00 0.00 O ATOM 990 CB ALA A 67 4.824 12.955 4.906 1.00 0.00 C ATOM 0 H ALA A 67 5.619 12.942 7.251 1.00 0.00 H new ATOM 0 HA ALA A 67 6.752 13.871 4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.549 13.219 3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.239 11.947 4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.939 12.993 5.541 1.00 0.00 H new ATOM 996 N GLY A 68 4.388 15.695 6.207 1.00 0.00 N ATOM 997 CA GLY A 68 3.744 17.001 6.181 1.00 0.00 C ATOM 998 C GLY A 68 2.456 16.965 5.367 1.00 0.00 C ATOM 999 O GLY A 68 1.695 17.932 5.348 1.00 0.00 O ATOM 0 H GLY A 68 4.051 15.074 6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.525 17.321 7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.426 17.737 5.755 1.00 0.00 H new ATOM 1003 N TYR A 69 2.216 15.843 4.698 1.00 0.00 N ATOM 1004 CA TYR A 69 1.006 15.666 3.906 1.00 0.00 C ATOM 1005 C TYR A 69 -0.203 15.414 4.796 1.00 0.00 C ATOM 1006 O TYR A 69 -0.068 14.940 5.925 1.00 0.00 O ATOM 1007 CB TYR A 69 1.179 14.518 2.910 1.00 0.00 C ATOM 1008 CG TYR A 69 2.168 14.814 1.803 1.00 0.00 C ATOM 1009 CD1 TYR A 69 2.955 15.954 1.863 1.00 0.00 C ATOM 1010 CD2 TYR A 69 2.286 13.945 0.728 1.00 0.00 C ATOM 1011 CE1 TYR A 69 3.858 16.224 0.852 1.00 0.00 C ATOM 1012 CE2 TYR A 69 3.188 14.215 -0.283 1.00 0.00 C ATOM 1013 CZ TYR A 69 3.971 15.350 -0.223 1.00 0.00 C ATOM 1014 OH TYR A 69 4.870 15.619 -1.229 1.00 0.00 O ATOM 0 H TYR A 69 2.846 15.041 4.689 1.00 0.00 H new ATOM 0 HA TYR A 69 0.833 16.589 3.352 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.506 13.628 3.448 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.211 14.285 2.467 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.862 16.631 2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.673 13.057 0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.473 17.110 0.897 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.280 13.538 -1.120 1.00 0.00 H new ATOM 0 HH TYR A 69 5.073 14.793 -1.716 1.00 0.00 H new ATOM 1024 N THR A 70 -1.387 15.734 4.285 1.00 0.00 N ATOM 1025 CA THR A 70 -2.628 15.481 5.006 1.00 0.00 C ATOM 1026 C THR A 70 -3.557 14.580 4.204 1.00 0.00 C ATOM 1027 O THR A 70 -3.986 14.934 3.106 1.00 0.00 O ATOM 1028 CB THR A 70 -3.350 16.797 5.347 1.00 0.00 C ATOM 1029 OG1 THR A 70 -2.505 17.611 6.171 1.00 0.00 O ATOM 1030 CG2 THR A 70 -4.651 16.517 6.082 1.00 0.00 C ATOM 0 H THR A 70 -1.513 16.170 3.372 1.00 0.00 H new ATOM 0 HA THR A 70 -2.364 14.974 5.934 1.00 0.00 H new ATOM 0 HB THR A 70 -3.575 17.321 4.418 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.966 18.449 6.385 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.147 17.459 6.315 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.301 15.910 5.452 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.438 15.981 7.007 1.00 0.00 H new ATOM 1038 N ILE A 71 -3.866 13.411 4.759 1.00 0.00 N ATOM 1039 CA ILE A 71 -4.764 12.467 4.105 1.00 0.00 C ATOM 1040 C ILE A 71 -6.153 12.506 4.729 1.00 0.00 C ATOM 1041 O ILE A 71 -6.300 12.393 5.946 1.00 0.00 O ATOM 1042 CB ILE A 71 -4.205 11.035 4.184 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -2.892 10.930 3.402 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -5.224 10.036 3.656 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -2.202 9.593 3.545 1.00 0.00 C ATOM 0 H ILE A 71 -3.507 13.096 5.660 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.841 12.763 3.059 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.003 10.799 5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.093 11.114 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.215 11.715 3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.812 9.029 3.719 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.134 10.094 4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.457 10.268 2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.280 9.595 2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.968 9.415 4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.859 8.804 3.180 1.00 0.00 H new ATOM 1057 N PRO A 72 -7.170 12.665 3.889 1.00 0.00 N ATOM 1058 CA PRO A 72 -8.550 12.716 4.356 1.00 0.00 C ATOM 1059 C PRO A 72 -9.079 11.320 4.662 1.00 0.00 C ATOM 1060 O PRO A 72 -8.623 10.333 4.085 1.00 0.00 O ATOM 1061 CB PRO A 72 -9.289 13.355 3.177 1.00 0.00 C ATOM 1062 CG PRO A 72 -8.537 12.890 1.977 1.00 0.00 C ATOM 1063 CD PRO A 72 -7.096 12.895 2.414 1.00 0.00 C ATOM 0 HA PRO A 72 -8.672 13.273 5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.331 13.038 3.141 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.289 14.443 3.250 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.856 11.894 1.670 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.697 13.553 1.126 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.524 12.113 1.915 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.610 13.843 2.181 1.00 0.00 H new ATOM 1071 N CYS A 73 -10.044 11.245 5.572 1.00 0.00 N ATOM 1072 CA CYS A 73 -10.730 9.991 5.859 1.00 0.00 C ATOM 1073 C CYS A 73 -11.716 9.636 4.755 1.00 0.00 C ATOM 1074 O CYS A 73 -12.737 10.302 4.584 1.00 0.00 O ATOM 1075 CB CYS A 73 -11.474 10.079 7.192 1.00 0.00 C ATOM 1076 SG CYS A 73 -12.418 8.594 7.610 1.00 0.00 S ATOM 0 H CYS A 73 -10.369 12.039 6.124 1.00 0.00 H new ATOM 0 HA CYS A 73 -9.972 9.210 5.917 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -10.753 10.274 7.986 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -12.153 10.931 7.162 1.00 0.00 H new ATOM 0 HG CYS A 73 -13.010 8.764 8.755 1.00 0.00 H new ATOM 1082 N GLU A 74 -11.405 8.583 4.006 1.00 0.00 N ATOM 1083 CA GLU A 74 -12.223 8.185 2.867 1.00 0.00 C ATOM 1084 C GLU A 74 -12.820 6.799 3.077 1.00 0.00 C ATOM 1085 O GLU A 74 -12.724 5.934 2.207 1.00 0.00 O ATOM 1086 CB GLU A 74 -11.392 8.204 1.582 1.00 0.00 C ATOM 1087 CG GLU A 74 -10.951 9.592 1.139 1.00 0.00 C ATOM 1088 CD GLU A 74 -10.078 9.566 -0.085 1.00 0.00 C ATOM 1089 OE1 GLU A 74 -9.109 8.846 -0.084 1.00 0.00 O ATOM 1090 OE2 GLU A 74 -10.381 10.267 -1.021 1.00 0.00 O ATOM 0 H GLU A 74 -10.591 7.990 4.168 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.040 8.901 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.507 7.584 1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.974 7.748 0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.833 10.201 0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.411 10.073 1.954 1.00 0.00 H new ATOM 1097 N THR A 75 -13.438 6.595 4.235 1.00 0.00 N ATOM 1098 CA THR A 75 -14.075 5.322 4.550 1.00 0.00 C ATOM 1099 C THR A 75 -15.556 5.344 4.195 1.00 0.00 C ATOM 1100 O THR A 75 -16.270 4.365 4.408 1.00 0.00 O ATOM 1101 CB THR A 75 -13.905 4.971 6.039 1.00 0.00 C ATOM 1102 OG1 THR A 75 -14.519 5.985 6.845 1.00 0.00 O ATOM 1103 CG2 THR A 75 -12.431 4.867 6.400 1.00 0.00 C ATOM 0 H THR A 75 -13.511 7.296 4.972 1.00 0.00 H new ATOM 0 HA THR A 75 -13.582 4.557 3.949 1.00 0.00 H new ATOM 0 HB THR A 75 -14.382 4.009 6.225 1.00 0.00 H new ATOM 0 HG1 THR A 75 -13.869 6.696 7.028 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.332 4.618 7.457 1.00 0.00 H new ATOM 0 HG22 THR A 75 -11.963 4.088 5.798 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.940 5.820 6.204 1.00 0.00 H new ATOM 1111 N ASP A 76 -16.012 6.468 3.650 1.00 0.00 N ATOM 1112 CA ASP A 76 -17.411 6.623 3.274 1.00 0.00 C ATOM 1113 C ASP A 76 -17.605 6.411 1.777 1.00 0.00 C ATOM 1114 O ASP A 76 -18.604 6.844 1.204 1.00 0.00 O ATOM 1115 CB ASP A 76 -17.922 8.010 3.669 1.00 0.00 C ATOM 1116 CG ASP A 76 -17.160 9.139 2.989 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -16.215 8.855 2.290 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -17.528 10.274 3.175 1.00 0.00 O ATOM 0 H ASP A 76 -15.431 7.285 3.459 1.00 0.00 H new ATOM 0 HA ASP A 76 -17.983 5.865 3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -18.979 8.088 3.415 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -17.844 8.126 4.750 1.00 0.00 H new ATOM 1123 N ASN A 77 -16.642 5.743 1.150 1.00 0.00 N ATOM 1124 CA ASN A 77 -16.729 5.431 -0.271 1.00 0.00 C ATOM 1125 C ASN A 77 -17.190 3.997 -0.494 1.00 0.00 C ATOM 1126 O ASN A 77 -18.277 3.611 -0.062 1.00 0.00 O ATOM 1127 CB ASN A 77 -15.395 5.674 -0.954 1.00 0.00 C ATOM 1128 CG ASN A 77 -15.015 7.129 -0.980 1.00 0.00 C ATOM 1129 OD1 ASN A 77 -15.878 8.010 -0.896 1.00 0.00 O ATOM 1130 ND2 ASN A 77 -13.739 7.397 -1.092 1.00 0.00 N ATOM 0 H ASN A 77 -15.793 5.408 1.604 1.00 0.00 H new ATOM 0 HA ASN A 77 -17.472 6.094 -0.714 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -14.619 5.109 -0.438 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -15.440 5.296 -1.975 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.421 8.366 -1.113 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.062 6.637 -1.158 1.00 0.00 H new ATOM 1137 N ASN A 78 -16.359 3.211 -1.169 1.00 0.00 N ATOM 1138 CA ASN A 78 -16.644 1.797 -1.382 1.00 0.00 C ATOM 1139 C ASN A 78 -16.332 0.978 -0.136 1.00 0.00 C ATOM 1140 O ASN A 78 -15.468 1.347 0.660 1.00 0.00 O ATOM 1141 CB ASN A 78 -15.869 1.269 -2.575 1.00 0.00 C ATOM 1142 CG ASN A 78 -16.384 1.808 -3.882 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -17.537 2.246 -3.976 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -15.552 1.784 -4.892 1.00 0.00 N ATOM 0 H ASN A 78 -15.481 3.530 -1.579 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.709 1.699 -1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.817 1.533 -2.466 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -15.925 0.181 -2.587 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -15.846 2.136 -5.803 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -14.610 1.413 -4.768 1.00 0.00 H new ATOM 1151 N PRO A 79 -17.039 -0.134 0.029 1.00 0.00 N ATOM 1152 CA PRO A 79 -16.787 -1.046 1.138 1.00 0.00 C ATOM 1153 C PRO A 79 -15.317 -1.440 1.205 1.00 0.00 C ATOM 1154 O PRO A 79 -14.650 -1.559 0.177 1.00 0.00 O ATOM 1155 CB PRO A 79 -17.680 -2.246 0.807 1.00 0.00 C ATOM 1156 CG PRO A 79 -18.797 -1.663 0.011 1.00 0.00 C ATOM 1157 CD PRO A 79 -18.142 -0.605 -0.835 1.00 0.00 C ATOM 0 HA PRO A 79 -17.006 -0.611 2.113 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -17.137 -3.001 0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -18.047 -2.731 1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -19.283 -2.420 -0.605 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -19.565 -1.236 0.657 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -17.773 -1.011 -1.777 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -18.834 0.200 -1.084 1.00 0.00 H new ATOM 1165 N HIS A 80 -14.818 -1.640 2.419 1.00 0.00 N ATOM 1166 CA HIS A 80 -13.421 -2.006 2.623 1.00 0.00 C ATOM 1167 C HIS A 80 -13.276 -3.016 3.754 1.00 0.00 C ATOM 1168 O HIS A 80 -14.119 -3.085 4.649 1.00 0.00 O ATOM 1169 CB HIS A 80 -12.575 -0.766 2.925 1.00 0.00 C ATOM 1170 CG HIS A 80 -12.883 -0.136 4.248 1.00 0.00 C ATOM 1171 ND1 HIS A 80 -13.897 0.783 4.417 1.00 0.00 N ATOM 1172 CD2 HIS A 80 -12.309 -0.291 5.464 1.00 0.00 C ATOM 1173 CE1 HIS A 80 -13.935 1.165 5.682 1.00 0.00 C ATOM 1174 NE2 HIS A 80 -12.982 0.529 6.338 1.00 0.00 N ATOM 0 H HIS A 80 -15.361 -1.555 3.278 1.00 0.00 H new ATOM 0 HA HIS A 80 -13.063 -2.464 1.701 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -11.521 -1.041 2.900 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -12.731 -0.030 2.137 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -14.520 1.116 3.681 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -11.478 -0.938 5.703 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -14.628 1.876 6.107 1.00 0.00 H new ATOM 1181 N ARG A 81 -12.202 -3.795 3.710 1.00 0.00 N ATOM 1182 CA ARG A 81 -11.988 -4.862 4.682 1.00 0.00 C ATOM 1183 C ARG A 81 -10.527 -4.933 5.110 1.00 0.00 C ATOM 1184 O ARG A 81 -9.629 -5.019 4.272 1.00 0.00 O ATOM 1185 CB ARG A 81 -12.410 -6.205 4.104 1.00 0.00 C ATOM 1186 CG ARG A 81 -13.891 -6.323 3.778 1.00 0.00 C ATOM 1187 CD ARG A 81 -14.724 -6.349 5.008 1.00 0.00 C ATOM 1188 NE ARG A 81 -16.127 -6.583 4.708 1.00 0.00 N ATOM 1189 CZ ARG A 81 -17.014 -5.618 4.395 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -16.629 -4.363 4.345 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -18.271 -5.935 4.137 1.00 0.00 N ATOM 0 H ARG A 81 -11.464 -3.708 3.011 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.599 -4.636 5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.837 -6.390 3.196 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.145 -6.989 4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.194 -5.484 3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.065 -7.231 3.201 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.361 -7.130 5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.619 -5.402 5.538 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.464 -7.545 4.736 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.659 -4.119 4.543 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.300 -3.633 4.108 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.569 -6.910 4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.943 -5.205 3.900 1.00 0.00 H new ATOM 1205 N HIS A 82 -10.297 -4.898 6.418 1.00 0.00 N ATOM 1206 CA HIS A 82 -8.961 -5.095 6.965 1.00 0.00 C ATOM 1207 C HIS A 82 -8.647 -6.576 7.132 1.00 0.00 C ATOM 1208 O HIS A 82 -8.678 -7.106 8.243 1.00 0.00 O ATOM 1209 CB HIS A 82 -8.817 -4.381 8.313 1.00 0.00 C ATOM 1210 CG HIS A 82 -8.719 -2.892 8.199 1.00 0.00 C ATOM 1211 ND1 HIS A 82 -9.813 -2.091 7.952 1.00 0.00 N ATOM 1212 CD2 HIS A 82 -7.656 -2.059 8.295 1.00 0.00 C ATOM 1213 CE1 HIS A 82 -9.427 -0.827 7.903 1.00 0.00 C ATOM 1214 NE2 HIS A 82 -8.124 -0.782 8.108 1.00 0.00 N ATOM 0 H HIS A 82 -11.020 -4.735 7.119 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.250 -4.667 6.258 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.672 -4.633 8.940 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.928 -4.757 8.820 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -10.770 -2.421 7.827 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.632 -2.345 8.483 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.069 0.023 7.725 1.00 0.00 H new ATOM 1221 N VAL A 83 -8.345 -7.240 6.022 1.00 0.00 N ATOM 1222 CA VAL A 83 -8.005 -8.658 6.046 1.00 0.00 C ATOM 1223 C VAL A 83 -6.539 -8.880 5.695 1.00 0.00 C ATOM 1224 O VAL A 83 -5.770 -7.926 5.574 1.00 0.00 O ATOM 1225 CB VAL A 83 -8.890 -9.436 5.054 1.00 0.00 C ATOM 1226 CG1 VAL A 83 -10.357 -9.317 5.442 1.00 0.00 C ATOM 1227 CG2 VAL A 83 -8.663 -8.921 3.642 1.00 0.00 C ATOM 0 H VAL A 83 -8.329 -6.819 5.093 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.180 -9.023 7.058 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.616 -10.490 5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.968 -9.873 4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -10.503 -9.725 6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.652 -8.268 5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.292 -9.476 2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.917 -7.862 3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.616 -9.055 3.370 1.00 0.00 H new ATOM 1237 N THR A 84 -6.159 -10.142 5.534 1.00 0.00 N ATOM 1238 CA THR A 84 -4.777 -10.493 5.231 1.00 0.00 C ATOM 1239 C THR A 84 -4.267 -9.726 4.017 1.00 0.00 C ATOM 1240 O THR A 84 -4.789 -9.875 2.912 1.00 0.00 O ATOM 1241 CB THR A 84 -4.629 -12.006 4.986 1.00 0.00 C ATOM 1242 OG1 THR A 84 -5.067 -12.726 6.146 1.00 0.00 O ATOM 1243 CG2 THR A 84 -3.180 -12.360 4.691 1.00 0.00 C ATOM 0 H THR A 84 -6.790 -10.940 5.608 1.00 0.00 H new ATOM 0 HA THR A 84 -4.177 -10.217 6.098 1.00 0.00 H new ATOM 0 HB THR A 84 -5.241 -12.281 4.127 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.519 -12.469 6.917 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.095 -13.433 4.521 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.848 -11.824 3.802 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.556 -12.077 5.539 1.00 0.00 H new ATOM 1251 N GLY A 85 -3.244 -8.904 4.229 1.00 0.00 N ATOM 1252 CA GLY A 85 -2.595 -8.191 3.136 1.00 0.00 C ATOM 1253 C GLY A 85 -3.067 -6.744 3.065 1.00 0.00 C ATOM 1254 O GLY A 85 -2.402 -5.892 2.476 1.00 0.00 O ATOM 0 H GLY A 85 -2.847 -8.715 5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.514 -8.217 3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.810 -8.693 2.193 1.00 0.00 H new ATOM 1258 N ALA A 86 -4.219 -6.473 3.668 1.00 0.00 N ATOM 1259 CA ALA A 86 -4.870 -5.176 3.529 1.00 0.00 C ATOM 1260 C ALA A 86 -3.964 -4.051 4.012 1.00 0.00 C ATOM 1261 O ALA A 86 -3.249 -4.198 5.004 1.00 0.00 O ATOM 1262 CB ALA A 86 -6.187 -5.159 4.292 1.00 0.00 C ATOM 0 H ALA A 86 -4.722 -7.135 4.259 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.074 -5.014 2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.661 -4.184 4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.847 -5.931 3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.998 -5.350 5.348 1.00 0.00 H new ATOM 1268 N MET A 87 -3.998 -2.926 3.306 1.00 0.00 N ATOM 1269 CA MET A 87 -3.208 -1.760 3.683 1.00 0.00 C ATOM 1270 C MET A 87 -4.085 -0.523 3.828 1.00 0.00 C ATOM 1271 O MET A 87 -4.826 -0.166 2.913 1.00 0.00 O ATOM 1272 CB MET A 87 -2.106 -1.514 2.654 1.00 0.00 C ATOM 1273 CG MET A 87 -1.160 -2.689 2.451 1.00 0.00 C ATOM 1274 SD MET A 87 0.114 -2.352 1.219 1.00 0.00 S ATOM 1275 CE MET A 87 1.167 -1.221 2.122 1.00 0.00 C ATOM 0 H MET A 87 -4.565 -2.797 2.468 1.00 0.00 H new ATOM 0 HA MET A 87 -2.750 -1.961 4.651 1.00 0.00 H new ATOM 0 HB2 MET A 87 -2.567 -1.266 1.698 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.525 -0.645 2.963 1.00 0.00 H new ATOM 0 HG2 MET A 87 -0.685 -2.936 3.400 1.00 0.00 H new ATOM 0 HG3 MET A 87 -1.734 -3.564 2.144 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.202 -0.263 1.603 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.768 -1.076 3.126 1.00 0.00 H new ATOM 0 HE3 MET A 87 2.173 -1.635 2.188 1.00 0.00 H new ATOM 1285 N SER A 88 -3.996 0.126 4.984 1.00 0.00 N ATOM 1286 CA SER A 88 -4.780 1.327 5.250 1.00 0.00 C ATOM 1287 C SER A 88 -3.935 2.395 5.933 1.00 0.00 C ATOM 1288 O SER A 88 -3.064 2.086 6.745 1.00 0.00 O ATOM 1289 CB SER A 88 -5.977 0.987 6.115 1.00 0.00 C ATOM 1290 OG SER A 88 -5.573 0.491 7.361 1.00 0.00 O ATOM 0 H SER A 88 -3.389 -0.159 5.752 1.00 0.00 H new ATOM 0 HA SER A 88 -5.125 1.723 4.295 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.592 1.876 6.256 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.597 0.247 5.609 1.00 0.00 H new ATOM 0 HG SER A 88 -6.337 0.072 7.810 1.00 0.00 H new ATOM 1296 N MET A 89 -4.200 3.654 5.597 1.00 0.00 N ATOM 1297 CA MET A 89 -3.407 4.765 6.110 1.00 0.00 C ATOM 1298 C MET A 89 -3.877 5.184 7.497 1.00 0.00 C ATOM 1299 O MET A 89 -5.073 5.166 7.789 1.00 0.00 O ATOM 1300 CB MET A 89 -3.471 5.948 5.145 1.00 0.00 C ATOM 1301 CG MET A 89 -2.834 5.688 3.787 1.00 0.00 C ATOM 1302 SD MET A 89 -1.138 5.088 3.918 1.00 0.00 S ATOM 1303 CE MET A 89 -0.293 6.574 4.448 1.00 0.00 C ATOM 0 H MET A 89 -4.957 3.930 4.972 1.00 0.00 H new ATOM 0 HA MET A 89 -2.372 4.433 6.194 1.00 0.00 H new ATOM 0 HB2 MET A 89 -4.515 6.223 4.996 1.00 0.00 H new ATOM 0 HB3 MET A 89 -2.978 6.804 5.606 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.433 4.957 3.243 1.00 0.00 H new ATOM 0 HG3 MET A 89 -2.846 6.608 3.203 1.00 0.00 H new ATOM 0 HE1 MET A 89 0.777 6.378 4.522 1.00 0.00 H new ATOM 0 HE2 MET A 89 -0.467 7.370 3.723 1.00 0.00 H new ATOM 0 HE3 MET A 89 -0.673 6.881 5.422 1.00 0.00 H new ATOM 1313 N ALA A 90 -2.930 5.562 8.348 1.00 0.00 N ATOM 1314 CA ALA A 90 -3.242 5.947 9.719 1.00 0.00 C ATOM 1315 C ALA A 90 -3.943 7.299 9.765 1.00 0.00 C ATOM 1316 O ALA A 90 -3.466 8.278 9.192 1.00 0.00 O ATOM 1317 CB ALA A 90 -1.975 5.981 10.561 1.00 0.00 C ATOM 0 H ALA A 90 -1.939 5.610 8.112 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.920 5.200 10.132 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.224 6.270 11.582 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.515 4.993 10.566 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.277 6.704 10.139 1.00 0.00 H new ATOM 1323 N HIS A 91 -5.080 7.346 10.452 1.00 0.00 N ATOM 1324 CA HIS A 91 -5.732 8.612 10.768 1.00 0.00 C ATOM 1325 C HIS A 91 -6.655 8.469 11.971 1.00 0.00 C ATOM 1326 O HIS A 91 -6.805 7.381 12.527 1.00 0.00 O ATOM 1327 CB HIS A 91 -6.528 9.127 9.565 1.00 0.00 C ATOM 1328 CG HIS A 91 -7.639 8.216 9.145 1.00 0.00 C ATOM 1329 ND1 HIS A 91 -8.835 8.137 9.829 1.00 0.00 N ATOM 1330 CD2 HIS A 91 -7.738 7.345 8.113 1.00 0.00 C ATOM 1331 CE1 HIS A 91 -9.621 7.257 9.233 1.00 0.00 C ATOM 1332 NE2 HIS A 91 -8.979 6.763 8.191 1.00 0.00 N ATOM 0 H HIS A 91 -5.569 6.522 10.801 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.951 9.332 11.012 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.944 10.105 9.807 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.849 9.269 8.725 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -9.075 8.673 10.663 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -6.982 7.145 7.368 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.619 6.988 9.546 1.00 0.00 H new ATOM 1339 N ARG A 92 -7.274 9.576 12.370 1.00 0.00 N ATOM 1340 CA ARG A 92 -8.195 9.574 13.500 1.00 0.00 C ATOM 1341 C ARG A 92 -9.512 10.249 13.139 1.00 0.00 C ATOM 1342 O ARG A 92 -10.420 10.340 13.964 1.00 0.00 O ATOM 1343 CB ARG A 92 -7.577 10.283 14.696 1.00 0.00 C ATOM 1344 CG ARG A 92 -6.308 9.640 15.235 1.00 0.00 C ATOM 1345 CD ARG A 92 -6.584 8.322 15.862 1.00 0.00 C ATOM 1346 NE ARG A 92 -5.388 7.739 16.448 1.00 0.00 N ATOM 1347 CZ ARG A 92 -4.495 6.985 15.777 1.00 0.00 C ATOM 1348 NH1 ARG A 92 -4.678 6.733 14.500 1.00 0.00 N ATOM 1349 NH2 ARG A 92 -3.437 6.500 16.402 1.00 0.00 N ATOM 0 H ARG A 92 -7.154 10.487 11.926 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.393 8.534 13.758 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.354 11.312 14.415 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.315 10.324 15.497 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.591 9.514 14.424 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.847 10.302 15.968 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.346 8.439 16.633 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -6.990 7.642 15.113 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.212 7.913 17.438 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.495 7.108 14.018 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.003 6.162 13.991 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.296 6.696 17.393 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.761 5.929 15.894 1.00 0.00 H new ATOM 1363 N GLY A 93 -9.607 10.722 11.901 1.00 0.00 N ATOM 1364 CA GLY A 93 -10.798 11.428 11.441 1.00 0.00 C ATOM 1365 C GLY A 93 -10.556 12.096 10.093 1.00 0.00 C ATOM 1366 O GLY A 93 -9.577 11.796 9.408 1.00 0.00 O ATOM 0 H GLY A 93 -8.874 10.629 11.198 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.630 10.728 11.359 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.085 12.180 12.176 1.00 0.00 H new ATOM 1370 N ARG A 94 -11.451 13.003 9.719 1.00 0.00 N ATOM 1371 CA ARG A 94 -11.372 13.669 8.424 1.00 0.00 C ATOM 1372 C ARG A 94 -10.191 14.631 8.371 1.00 0.00 C ATOM 1373 O ARG A 94 -10.092 15.552 9.180 1.00 0.00 O ATOM 1374 CB ARG A 94 -12.657 14.431 8.135 1.00 0.00 C ATOM 1375 CG ARG A 94 -12.726 15.067 6.755 1.00 0.00 C ATOM 1376 CD ARG A 94 -12.870 14.045 5.686 1.00 0.00 C ATOM 1377 NE ARG A 94 -13.036 14.652 4.375 1.00 0.00 N ATOM 1378 CZ ARG A 94 -13.104 13.966 3.217 1.00 0.00 C ATOM 1379 NH1 ARG A 94 -13.018 12.654 3.226 1.00 0.00 N ATOM 1380 NH2 ARG A 94 -13.257 14.611 2.075 1.00 0.00 N ATOM 0 H ARG A 94 -12.241 13.294 10.295 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.231 12.898 7.667 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.500 13.749 8.248 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.776 15.212 8.886 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.568 15.758 6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.824 15.653 6.579 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.991 13.400 5.679 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.729 13.410 5.904 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.106 15.669 4.329 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.900 12.157 4.109 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.069 12.134 2.350 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -13.324 15.629 2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.308 14.091 1.199 1.00 0.00 H new ATOM 1394 N ASP A 95 -9.298 14.409 7.413 1.00 0.00 N ATOM 1395 CA ASP A 95 -8.149 15.286 7.219 1.00 0.00 C ATOM 1396 C ASP A 95 -7.221 15.251 8.427 1.00 0.00 C ATOM 1397 O ASP A 95 -6.764 16.291 8.903 1.00 0.00 O ATOM 1398 CB ASP A 95 -8.607 16.724 6.963 1.00 0.00 C ATOM 1399 CG ASP A 95 -9.317 16.889 5.625 1.00 0.00 C ATOM 1400 OD1 ASP A 95 -8.770 16.475 4.630 1.00 0.00 O ATOM 1401 OD2 ASP A 95 -10.397 17.427 5.611 1.00 0.00 O ATOM 0 H ASP A 95 -9.348 13.629 6.758 1.00 0.00 H new ATOM 0 HA ASP A 95 -7.601 14.925 6.349 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -9.276 17.035 7.765 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.742 17.387 6.994 1.00 0.00 H new ATOM 1406 N THR A 96 -6.944 14.049 8.920 1.00 0.00 N ATOM 1407 CA THR A 96 -5.996 13.867 10.013 1.00 0.00 C ATOM 1408 C THR A 96 -4.956 12.810 9.671 1.00 0.00 C ATOM 1409 O THR A 96 -4.077 12.506 10.477 1.00 0.00 O ATOM 1410 CB THR A 96 -6.721 13.479 11.315 1.00 0.00 C ATOM 1411 OG1 THR A 96 -7.393 12.226 11.135 1.00 0.00 O ATOM 1412 CG2 THR A 96 -7.735 14.544 11.701 1.00 0.00 C ATOM 0 H THR A 96 -7.364 13.184 8.579 1.00 0.00 H new ATOM 0 HA THR A 96 -5.489 14.820 10.162 1.00 0.00 H new ATOM 0 HB THR A 96 -5.982 13.392 12.112 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.020 12.296 10.385 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.237 14.251 12.623 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.224 15.495 11.852 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.472 14.650 10.905 1.00 0.00 H new ATOM 1420 N GLY A 97 -5.061 12.252 8.470 1.00 0.00 N ATOM 1421 CA GLY A 97 -4.250 11.101 8.086 1.00 0.00 C ATOM 1422 C GLY A 97 -2.805 11.507 7.830 1.00 0.00 C ATOM 1423 O GLY A 97 -2.538 12.578 7.285 1.00 0.00 O ATOM 0 H GLY A 97 -5.700 12.578 7.745 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.285 10.349 8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.666 10.642 7.189 1.00 0.00 H new ATOM 1427 N SER A 98 -1.874 10.646 8.227 1.00 0.00 N ATOM 1428 CA SER A 98 -0.452 10.922 8.058 1.00 0.00 C ATOM 1429 C SER A 98 0.179 9.964 7.055 1.00 0.00 C ATOM 1430 O SER A 98 -0.519 9.207 6.381 1.00 0.00 O ATOM 1431 CB SER A 98 0.262 10.816 9.391 1.00 0.00 C ATOM 1432 OG SER A 98 0.383 9.478 9.791 1.00 0.00 O ATOM 0 H SER A 98 -2.079 9.750 8.669 1.00 0.00 H new ATOM 0 HA SER A 98 -0.349 11.937 7.673 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.251 11.267 9.315 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.287 11.377 10.147 1.00 0.00 H new ATOM 0 HG SER A 98 0.848 9.435 10.652 1.00 0.00 H new ATOM 1438 N CYS A 99 1.504 10.003 6.961 1.00 0.00 N ATOM 1439 CA CYS A 99 2.233 9.129 6.051 1.00 0.00 C ATOM 1440 C CYS A 99 2.395 7.734 6.639 1.00 0.00 C ATOM 1441 O CYS A 99 2.844 6.811 5.959 1.00 0.00 O ATOM 1442 CB CYS A 99 3.613 9.708 5.738 1.00 0.00 C ATOM 1443 SG CYS A 99 4.655 9.962 7.195 1.00 0.00 S ATOM 0 H CYS A 99 2.095 10.632 7.505 1.00 0.00 H new ATOM 0 HA CYS A 99 1.652 9.058 5.131 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.128 9.039 5.048 1.00 0.00 H new ATOM 0 HB3 CYS A 99 3.487 10.661 5.224 1.00 0.00 H new ATOM 0 HG CYS A 99 5.906 9.946 6.842 1.00 0.00 H new ATOM 1449 N GLN A 100 2.028 7.584 7.907 1.00 0.00 N ATOM 1450 CA GLN A 100 2.065 6.286 8.569 1.00 0.00 C ATOM 1451 C GLN A 100 0.970 5.367 8.042 1.00 0.00 C ATOM 1452 O GLN A 100 -0.118 5.821 7.690 1.00 0.00 O ATOM 1453 CB GLN A 100 1.924 6.451 10.084 1.00 0.00 C ATOM 1454 CG GLN A 100 3.060 7.223 10.734 1.00 0.00 C ATOM 1455 CD GLN A 100 2.909 7.315 12.241 1.00 0.00 C ATOM 1456 OE1 GLN A 100 3.059 6.318 12.955 1.00 0.00 O ATOM 1457 NE2 GLN A 100 2.612 8.511 12.734 1.00 0.00 N ATOM 0 H GLN A 100 1.701 8.348 8.498 1.00 0.00 H new ATOM 0 HA GLN A 100 3.030 5.830 8.350 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.984 6.961 10.297 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.862 5.464 10.542 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.007 6.740 10.495 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.100 8.228 10.314 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.497 9.307 12.107 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.499 8.634 13.740 1.00 0.00 H new ATOM 1466 N PHE A 101 1.265 4.072 7.990 1.00 0.00 N ATOM 1467 CA PHE A 101 0.376 3.109 7.353 1.00 0.00 C ATOM 1468 C PHE A 101 0.254 1.838 8.185 1.00 0.00 C ATOM 1469 O PHE A 101 1.127 1.530 8.996 1.00 0.00 O ATOM 1470 CB PHE A 101 0.879 2.760 5.952 1.00 0.00 C ATOM 1471 CG PHE A 101 2.257 2.159 5.936 1.00 0.00 C ATOM 1472 CD1 PHE A 101 2.435 0.794 6.103 1.00 0.00 C ATOM 1473 CD2 PHE A 101 3.375 2.957 5.753 1.00 0.00 C ATOM 1474 CE1 PHE A 101 3.700 0.240 6.088 1.00 0.00 C ATOM 1475 CE2 PHE A 101 4.642 2.405 5.736 1.00 0.00 C ATOM 1476 CZ PHE A 101 4.804 1.044 5.905 1.00 0.00 C ATOM 0 H PHE A 101 2.114 3.666 8.382 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.609 3.569 7.276 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.182 2.061 5.489 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.879 3.662 5.340 1.00 0.00 H new ATOM 0 HD1 PHE A 101 1.575 0.157 6.246 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.255 4.022 5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.824 -0.825 6.220 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.505 3.038 5.591 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.793 0.611 5.894 1.00 0.00 H new ATOM 1486 N PHE A 102 -0.834 1.105 7.978 1.00 0.00 N ATOM 1487 CA PHE A 102 -1.029 -0.181 8.640 1.00 0.00 C ATOM 1488 C PHE A 102 -1.080 -1.318 7.629 1.00 0.00 C ATOM 1489 O PHE A 102 -1.771 -1.229 6.615 1.00 0.00 O ATOM 1490 CB PHE A 102 -2.316 -0.166 9.466 1.00 0.00 C ATOM 1491 CG PHE A 102 -2.241 0.702 10.690 1.00 0.00 C ATOM 1492 CD1 PHE A 102 -1.739 0.205 11.882 1.00 0.00 C ATOM 1493 CD2 PHE A 102 -2.674 2.019 10.650 1.00 0.00 C ATOM 1494 CE1 PHE A 102 -1.670 1.001 13.009 1.00 0.00 C ATOM 1495 CE2 PHE A 102 -2.606 2.819 11.775 1.00 0.00 C ATOM 1496 CZ PHE A 102 -2.105 2.311 12.954 1.00 0.00 C ATOM 0 H PHE A 102 -1.595 1.379 7.357 1.00 0.00 H new ATOM 0 HA PHE A 102 -0.179 -0.346 9.302 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -3.136 0.179 8.837 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.554 -1.186 9.769 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.397 -0.818 11.931 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -3.069 2.424 9.730 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -1.277 0.600 13.931 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.946 3.843 11.730 1.00 0.00 H new ATOM 0 HZ PHE A 102 -2.053 2.936 13.833 1.00 0.00 H new ATOM 1506 N ILE A 103 -0.346 -2.389 7.912 1.00 0.00 N ATOM 1507 CA ILE A 103 -0.453 -3.619 7.138 1.00 0.00 C ATOM 1508 C ILE A 103 -1.064 -4.741 7.967 1.00 0.00 C ATOM 1509 O ILE A 103 -0.536 -5.109 9.016 1.00 0.00 O ATOM 1510 CB ILE A 103 0.926 -4.060 6.614 1.00 0.00 C ATOM 1511 CG1 ILE A 103 1.525 -2.978 5.710 1.00 0.00 C ATOM 1512 CG2 ILE A 103 0.814 -5.380 5.867 1.00 0.00 C ATOM 1513 CD1 ILE A 103 2.939 -3.270 5.263 1.00 0.00 C ATOM 0 H ILE A 103 0.331 -2.429 8.674 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.107 -3.413 6.291 1.00 0.00 H new ATOM 0 HB ILE A 103 1.591 -4.203 7.466 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.892 -2.862 4.830 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.511 -2.026 6.240 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.798 -5.677 5.503 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.429 -6.147 6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.135 -5.264 5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.294 -2.459 4.627 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.586 -3.356 6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.958 -4.205 4.704 1.00 0.00 H new ATOM 1525 N VAL A 104 -2.180 -5.282 7.490 1.00 0.00 N ATOM 1526 CA VAL A 104 -2.951 -6.252 8.259 1.00 0.00 C ATOM 1527 C VAL A 104 -2.535 -7.677 7.922 1.00 0.00 C ATOM 1528 O VAL A 104 -2.370 -8.028 6.754 1.00 0.00 O ATOM 1529 CB VAL A 104 -4.455 -6.079 7.981 1.00 0.00 C ATOM 1530 CG1 VAL A 104 -5.262 -7.112 8.753 1.00 0.00 C ATOM 1531 CG2 VAL A 104 -4.892 -4.669 8.347 1.00 0.00 C ATOM 0 H VAL A 104 -2.571 -5.065 6.573 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.752 -6.072 9.315 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.637 -6.234 6.918 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.323 -6.975 8.544 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.959 -8.113 8.447 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.083 -6.989 9.821 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.957 -4.555 8.147 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.700 -4.492 9.405 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.332 -3.948 7.751 1.00 0.00 H new ATOM 1541 N HIS A 105 -2.367 -8.498 8.954 1.00 0.00 N ATOM 1542 CA HIS A 105 -2.036 -9.906 8.767 1.00 0.00 C ATOM 1543 C HIS A 105 -3.276 -10.783 8.886 1.00 0.00 C ATOM 1544 O HIS A 105 -3.363 -11.839 8.259 1.00 0.00 O ATOM 1545 CB HIS A 105 -0.987 -10.356 9.788 1.00 0.00 C ATOM 1546 CG HIS A 105 0.320 -9.635 9.665 1.00 0.00 C ATOM 1547 ND1 HIS A 105 1.347 -9.798 10.571 1.00 0.00 N ATOM 1548 CD2 HIS A 105 0.767 -8.751 8.743 1.00 0.00 C ATOM 1549 CE1 HIS A 105 2.370 -9.042 10.211 1.00 0.00 C ATOM 1550 NE2 HIS A 105 2.044 -8.397 9.106 1.00 0.00 N ATOM 0 H HIS A 105 -2.455 -8.212 9.929 1.00 0.00 H new ATOM 0 HA HIS A 105 -1.627 -10.016 7.763 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -1.382 -10.205 10.793 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -0.814 -11.426 9.671 1.00 0.00 H new ATOM 0 HD2 HIS A 105 0.222 -8.391 7.883 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.313 -8.965 10.732 1.00 0.00 H new ATOM 0 HE2 HIS A 105 2.643 -7.742 8.603 1.00 0.00 H new ATOM 1557 N GLU A 106 -4.235 -10.338 9.692 1.00 0.00 N ATOM 1558 CA GLU A 106 -5.391 -11.159 10.033 1.00 0.00 C ATOM 1559 C GLU A 106 -6.684 -10.362 9.917 1.00 0.00 C ATOM 1560 O GLU A 106 -6.756 -9.211 10.351 1.00 0.00 O ATOM 1561 CB GLU A 106 -5.250 -11.719 11.448 1.00 0.00 C ATOM 1562 CG GLU A 106 -6.420 -12.578 11.906 1.00 0.00 C ATOM 1563 CD GLU A 106 -6.257 -13.092 13.309 1.00 0.00 C ATOM 1564 OE1 GLU A 106 -5.338 -13.839 13.544 1.00 0.00 O ATOM 1565 OE2 GLU A 106 -7.052 -12.738 14.146 1.00 0.00 O ATOM 0 H GLU A 106 -4.234 -9.413 10.121 1.00 0.00 H new ATOM 0 HA GLU A 106 -5.433 -11.987 9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.337 -12.312 11.501 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.131 -10.888 12.144 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.339 -11.995 11.843 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.532 -13.423 11.226 1.00 0.00 H new ATOM 1572 N PRO A 107 -7.704 -10.980 9.332 1.00 0.00 N ATOM 1573 CA PRO A 107 -9.026 -10.369 9.251 1.00 0.00 C ATOM 1574 C PRO A 107 -9.444 -9.782 10.594 1.00 0.00 C ATOM 1575 O PRO A 107 -9.569 -10.500 11.585 1.00 0.00 O ATOM 1576 CB PRO A 107 -9.923 -11.542 8.845 1.00 0.00 C ATOM 1577 CG PRO A 107 -9.038 -12.409 8.016 1.00 0.00 C ATOM 1578 CD PRO A 107 -7.699 -12.339 8.698 1.00 0.00 C ATOM 0 HA PRO A 107 -9.074 -9.535 8.551 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -10.300 -12.076 9.717 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.791 -11.203 8.280 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.410 -13.433 7.975 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -8.980 -12.050 6.988 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -7.584 -13.129 9.441 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.880 -12.448 7.987 1.00 0.00 H new ATOM 1586 N GLN A 108 -9.658 -8.471 10.619 1.00 0.00 N ATOM 1587 CA GLN A 108 -10.103 -7.790 11.829 1.00 0.00 C ATOM 1588 C GLN A 108 -11.170 -6.749 11.514 1.00 0.00 C ATOM 1589 O GLN A 108 -10.857 -5.591 11.239 1.00 0.00 O ATOM 1590 CB GLN A 108 -8.919 -7.128 12.539 1.00 0.00 C ATOM 1591 CG GLN A 108 -7.977 -8.104 13.222 1.00 0.00 C ATOM 1592 CD GLN A 108 -8.629 -8.814 14.393 1.00 0.00 C ATOM 1593 OE1 GLN A 108 -9.402 -8.216 15.148 1.00 0.00 O ATOM 1594 NE2 GLN A 108 -8.322 -10.097 14.552 1.00 0.00 N ATOM 0 H GLN A 108 -9.530 -7.858 9.814 1.00 0.00 H new ATOM 0 HA GLN A 108 -10.540 -8.539 12.490 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -8.354 -6.544 11.812 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -9.301 -6.428 13.283 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -7.636 -8.843 12.497 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.094 -7.569 13.571 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -7.678 -10.551 13.904 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -8.730 -10.627 15.322 1.00 0.00 H new ATOM 1603 N PRO A 109 -12.430 -7.169 11.557 1.00 0.00 N ATOM 1604 CA PRO A 109 -13.545 -6.274 11.272 1.00 0.00 C ATOM 1605 C PRO A 109 -13.520 -5.054 12.183 1.00 0.00 C ATOM 1606 O PRO A 109 -14.036 -3.993 11.831 1.00 0.00 O ATOM 1607 CB PRO A 109 -14.770 -7.154 11.541 1.00 0.00 C ATOM 1608 CG PRO A 109 -14.288 -8.541 11.281 1.00 0.00 C ATOM 1609 CD PRO A 109 -12.877 -8.550 11.804 1.00 0.00 C ATOM 0 HA PRO A 109 -13.526 -5.870 10.260 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -15.124 -7.041 12.566 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -15.601 -6.892 10.886 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -14.906 -9.279 11.792 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -14.320 -8.780 10.218 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -12.840 -8.804 12.863 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -12.256 -9.276 11.280 1.00 0.00 H new ATOM 1617 N HIS A 110 -12.915 -5.210 13.356 1.00 0.00 N ATOM 1618 CA HIS A 110 -12.856 -4.133 14.337 1.00 0.00 C ATOM 1619 C HIS A 110 -12.082 -2.937 13.796 1.00 0.00 C ATOM 1620 O HIS A 110 -12.256 -1.811 14.262 1.00 0.00 O ATOM 1621 CB HIS A 110 -12.211 -4.621 15.638 1.00 0.00 C ATOM 1622 CG HIS A 110 -13.013 -5.664 16.353 1.00 0.00 C ATOM 1623 ND1 HIS A 110 -14.232 -5.393 16.937 1.00 0.00 N ATOM 1624 CD2 HIS A 110 -12.769 -6.976 16.579 1.00 0.00 C ATOM 1625 CE1 HIS A 110 -14.705 -6.497 17.491 1.00 0.00 C ATOM 1626 NE2 HIS A 110 -13.837 -7.470 17.288 1.00 0.00 N ATOM 0 H HIS A 110 -12.458 -6.073 13.650 1.00 0.00 H new ATOM 0 HA HIS A 110 -13.879 -3.819 14.543 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -11.223 -5.025 15.414 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -12.064 -3.769 16.302 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -11.898 -7.530 16.262 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -15.642 -6.587 18.020 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -13.942 -8.433 17.606 1.00 0.00 H new ATOM 1633 N LEU A 111 -11.225 -3.190 12.813 1.00 0.00 N ATOM 1634 CA LEU A 111 -10.401 -2.140 12.226 1.00 0.00 C ATOM 1635 C LEU A 111 -11.142 -1.419 11.108 1.00 0.00 C ATOM 1636 O LEU A 111 -10.761 -0.320 10.705 1.00 0.00 O ATOM 1637 CB LEU A 111 -9.095 -2.732 11.683 1.00 0.00 C ATOM 1638 CG LEU A 111 -8.159 -3.351 12.730 1.00 0.00 C ATOM 1639 CD1 LEU A 111 -6.951 -3.961 12.034 1.00 0.00 C ATOM 1640 CD2 LEU A 111 -7.736 -2.283 13.727 1.00 0.00 C ATOM 0 H LEU A 111 -11.083 -4.114 12.406 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.173 -1.417 13.009 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.343 -3.497 10.947 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -8.553 -1.946 11.157 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.677 -4.141 13.273 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.286 -4.401 12.778 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.282 -4.734 11.341 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.418 -3.185 11.484 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.071 -2.722 14.471 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.215 -1.482 13.203 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -8.618 -1.878 14.223 1.00 0.00 H new ATOM 1652 N ASP A 112 -12.204 -2.043 10.609 1.00 0.00 N ATOM 1653 CA ASP A 112 -12.987 -1.472 9.520 1.00 0.00 C ATOM 1654 C ASP A 112 -13.679 -0.187 9.953 1.00 0.00 C ATOM 1655 O ASP A 112 -14.364 -0.154 10.977 1.00 0.00 O ATOM 1656 CB ASP A 112 -14.029 -2.478 9.024 1.00 0.00 C ATOM 1657 CG ASP A 112 -13.412 -3.646 8.266 1.00 0.00 C ATOM 1658 OD1 ASP A 112 -12.238 -3.592 7.986 1.00 0.00 O ATOM 1659 OD2 ASP A 112 -14.120 -4.580 7.975 1.00 0.00 O ATOM 0 H ASP A 112 -12.542 -2.946 10.942 1.00 0.00 H new ATOM 0 HA ASP A 112 -12.300 -1.237 8.707 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -14.591 -2.861 9.876 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -14.741 -1.966 8.376 1.00 0.00 H new ATOM 1664 N GLY A 113 -13.498 0.870 9.170 1.00 0.00 N ATOM 1665 CA GLY A 113 -14.094 2.164 9.479 1.00 0.00 C ATOM 1666 C GLY A 113 -13.177 2.996 10.367 1.00 0.00 C ATOM 1667 O GLY A 113 -13.432 4.176 10.609 1.00 0.00 O ATOM 0 H GLY A 113 -12.942 0.856 8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -14.297 2.704 8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -15.052 2.016 9.978 1.00 0.00 H new ATOM 1671 N VAL A 114 -12.107 2.373 10.851 1.00 0.00 N ATOM 1672 CA VAL A 114 -11.152 3.053 11.718 1.00 0.00 C ATOM 1673 C VAL A 114 -10.044 3.713 10.908 1.00 0.00 C ATOM 1674 O VAL A 114 -9.644 4.843 11.188 1.00 0.00 O ATOM 1675 CB VAL A 114 -10.531 2.056 12.715 1.00 0.00 C ATOM 1676 CG1 VAL A 114 -9.501 2.751 13.592 1.00 0.00 C ATOM 1677 CG2 VAL A 114 -11.623 1.423 13.562 1.00 0.00 C ATOM 0 H VAL A 114 -11.880 1.398 10.657 1.00 0.00 H new ATOM 0 HA VAL A 114 -11.693 3.826 12.263 1.00 0.00 H new ATOM 0 HB VAL A 114 -10.023 1.269 12.158 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -9.073 2.032 14.290 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -8.710 3.165 12.966 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -9.981 3.556 14.149 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -11.177 0.719 14.265 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -12.152 2.200 14.114 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -12.324 0.895 12.916 1.00 0.00 H new ATOM 1687 N HIS A 115 -9.550 3.000 9.900 1.00 0.00 N ATOM 1688 CA HIS A 115 -8.549 3.548 8.993 1.00 0.00 C ATOM 1689 C HIS A 115 -8.983 3.402 7.540 1.00 0.00 C ATOM 1690 O HIS A 115 -9.803 2.544 7.211 1.00 0.00 O ATOM 1691 CB HIS A 115 -7.197 2.858 9.200 1.00 0.00 C ATOM 1692 CG HIS A 115 -6.618 3.067 10.564 1.00 0.00 C ATOM 1693 ND1 HIS A 115 -6.167 4.295 11.001 1.00 0.00 N ATOM 1694 CD2 HIS A 115 -6.415 2.205 11.588 1.00 0.00 C ATOM 1695 CE1 HIS A 115 -5.712 4.179 12.236 1.00 0.00 C ATOM 1696 NE2 HIS A 115 -5.850 2.921 12.615 1.00 0.00 N ATOM 0 H HIS A 115 -9.827 2.041 9.691 1.00 0.00 H new ATOM 0 HA HIS A 115 -8.447 4.609 9.219 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.314 1.789 9.025 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.492 3.228 8.455 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -6.653 1.152 11.596 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -5.298 4.977 12.834 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -5.581 2.543 13.523 1.00 0.00 H new ATOM 1703 N THR A 116 -8.429 4.244 6.675 1.00 0.00 N ATOM 1704 CA THR A 116 -8.826 4.271 5.272 1.00 0.00 C ATOM 1705 C THR A 116 -7.977 3.317 4.441 1.00 0.00 C ATOM 1706 O THR A 116 -6.797 3.571 4.201 1.00 0.00 O ATOM 1707 CB THR A 116 -8.721 5.695 4.694 1.00 0.00 C ATOM 1708 OG1 THR A 116 -9.630 6.561 5.383 1.00 0.00 O ATOM 1709 CG2 THR A 116 -9.054 5.694 3.210 1.00 0.00 C ATOM 0 H THR A 116 -7.703 4.917 6.921 1.00 0.00 H new ATOM 0 HA THR A 116 -9.866 3.947 5.224 1.00 0.00 H new ATOM 0 HB THR A 116 -7.699 6.050 4.826 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.465 6.508 6.348 1.00 0.00 H new ATOM 0 HG21 THR A 116 -8.975 6.708 2.819 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.356 5.045 2.681 1.00 0.00 H new ATOM 0 HG23 THR A 116 -10.070 5.328 3.065 1.00 0.00 H new ATOM 1717 N VAL A 117 -8.585 2.220 4.004 1.00 0.00 N ATOM 1718 CA VAL A 117 -7.910 1.266 3.132 1.00 0.00 C ATOM 1719 C VAL A 117 -7.627 1.875 1.765 1.00 0.00 C ATOM 1720 O VAL A 117 -8.502 2.486 1.153 1.00 0.00 O ATOM 1721 CB VAL A 117 -8.770 0.000 2.958 1.00 0.00 C ATOM 1722 CG1 VAL A 117 -8.142 -0.934 1.935 1.00 0.00 C ATOM 1723 CG2 VAL A 117 -8.935 -0.702 4.298 1.00 0.00 C ATOM 0 H VAL A 117 -9.545 1.969 4.240 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.962 1.002 3.600 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.755 0.289 2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.763 -1.823 1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -8.065 -0.424 0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.147 -1.226 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.544 -1.596 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.955 -0.983 4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.424 -0.030 5.003 1.00 0.00 H new ATOM 1733 N PHE A 118 -6.397 1.703 1.290 1.00 0.00 N ATOM 1734 CA PHE A 118 -5.956 2.345 0.057 1.00 0.00 C ATOM 1735 C PHE A 118 -5.365 1.330 -0.912 1.00 0.00 C ATOM 1736 O PHE A 118 -5.258 1.590 -2.110 1.00 0.00 O ATOM 1737 CB PHE A 118 -4.920 3.430 0.361 1.00 0.00 C ATOM 1738 CG PHE A 118 -3.602 2.891 0.840 1.00 0.00 C ATOM 1739 CD1 PHE A 118 -3.382 2.651 2.188 1.00 0.00 C ATOM 1740 CD2 PHE A 118 -2.579 2.624 -0.058 1.00 0.00 C ATOM 1741 CE1 PHE A 118 -2.169 2.157 2.629 1.00 0.00 C ATOM 1742 CE2 PHE A 118 -1.365 2.129 0.381 1.00 0.00 C ATOM 1743 CZ PHE A 118 -1.160 1.895 1.723 1.00 0.00 C ATOM 0 H PHE A 118 -5.688 1.124 1.741 1.00 0.00 H new ATOM 0 HA PHE A 118 -6.829 2.801 -0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -4.754 4.024 -0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.323 4.103 1.117 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.168 2.852 2.901 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -2.733 2.805 -1.112 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -2.010 1.976 3.682 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -0.577 1.926 -0.329 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.212 1.507 2.066 1.00 0.00 H new ATOM 1753 N GLY A 119 -4.983 0.171 -0.386 1.00 0.00 N ATOM 1754 CA GLY A 119 -4.347 -0.863 -1.193 1.00 0.00 C ATOM 1755 C GLY A 119 -4.322 -2.198 -0.459 1.00 0.00 C ATOM 1756 O GLY A 119 -4.875 -2.326 0.633 1.00 0.00 O ATOM 0 H GLY A 119 -5.103 -0.076 0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.883 -0.973 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.329 -0.561 -1.439 1.00 0.00 H new ATOM 1760 N GLN A 120 -3.678 -3.189 -1.064 1.00 0.00 N ATOM 1761 CA GLN A 120 -3.566 -4.512 -0.461 1.00 0.00 C ATOM 1762 C GLN A 120 -2.394 -5.289 -1.049 1.00 0.00 C ATOM 1763 O GLN A 120 -2.242 -5.372 -2.268 1.00 0.00 O ATOM 1764 CB GLN A 120 -4.865 -5.300 -0.654 1.00 0.00 C ATOM 1765 CG GLN A 120 -4.853 -6.683 -0.027 1.00 0.00 C ATOM 1766 CD GLN A 120 -6.177 -7.404 -0.187 1.00 0.00 C ATOM 1767 OE1 GLN A 120 -7.046 -6.972 -0.950 1.00 0.00 O ATOM 1768 NE2 GLN A 120 -6.341 -8.509 0.530 1.00 0.00 N ATOM 0 H GLN A 120 -3.225 -3.101 -1.973 1.00 0.00 H new ATOM 0 HA GLN A 120 -3.386 -4.377 0.606 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -5.690 -4.728 -0.230 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -5.062 -5.399 -1.722 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -4.061 -7.278 -0.482 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -4.616 -6.596 1.033 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -5.597 -8.831 1.149 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.211 -9.036 0.462 1.00 0.00 H new ATOM 1777 N VAL A 121 -1.569 -5.854 -0.176 1.00 0.00 N ATOM 1778 CA VAL A 121 -0.458 -6.696 -0.605 1.00 0.00 C ATOM 1779 C VAL A 121 -0.959 -7.965 -1.282 1.00 0.00 C ATOM 1780 O VAL A 121 -1.847 -8.645 -0.767 1.00 0.00 O ATOM 1781 CB VAL A 121 0.423 -7.073 0.600 1.00 0.00 C ATOM 1782 CG1 VAL A 121 1.535 -8.020 0.171 1.00 0.00 C ATOM 1783 CG2 VAL A 121 0.999 -5.817 1.235 1.00 0.00 C ATOM 0 H VAL A 121 -1.648 -5.744 0.835 1.00 0.00 H new ATOM 0 HA VAL A 121 0.131 -6.127 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.191 -7.586 1.340 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.148 -8.276 1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 121 1.099 -8.928 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.155 -7.535 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.621 -6.092 2.087 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.603 -5.283 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.186 -5.174 1.572 1.00 0.00 H new ATOM 1793 N THR A 122 -0.386 -8.279 -2.438 1.00 0.00 N ATOM 1794 CA THR A 122 -0.787 -9.456 -3.198 1.00 0.00 C ATOM 1795 C THR A 122 0.349 -10.466 -3.293 1.00 0.00 C ATOM 1796 O THR A 122 0.116 -11.667 -3.431 1.00 0.00 O ATOM 1797 CB THR A 122 -1.254 -9.070 -4.614 1.00 0.00 C ATOM 1798 OG1 THR A 122 -0.173 -8.450 -5.324 1.00 0.00 O ATOM 1799 CG2 THR A 122 -2.427 -8.105 -4.544 1.00 0.00 C ATOM 0 H THR A 122 0.360 -7.733 -2.870 1.00 0.00 H new ATOM 0 HA THR A 122 -1.620 -9.914 -2.664 1.00 0.00 H new ATOM 0 HB THR A 122 -1.570 -9.974 -5.135 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.471 -8.206 -6.225 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.744 -7.843 -5.554 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.255 -8.577 -4.015 1.00 0.00 H new ATOM 0 HG23 THR A 122 -2.124 -7.202 -4.013 1.00 0.00 H new ATOM 1807 N SER A 123 1.581 -9.972 -3.218 1.00 0.00 N ATOM 1808 CA SER A 123 2.755 -10.835 -3.238 1.00 0.00 C ATOM 1809 C SER A 123 3.794 -10.377 -2.223 1.00 0.00 C ATOM 1810 O SER A 123 3.919 -9.184 -1.944 1.00 0.00 O ATOM 1811 CB SER A 123 3.365 -10.854 -4.626 1.00 0.00 C ATOM 1812 OG SER A 123 2.482 -11.418 -5.555 1.00 0.00 O ATOM 0 H SER A 123 1.791 -8.977 -3.143 1.00 0.00 H new ATOM 0 HA SER A 123 2.436 -11.842 -2.969 1.00 0.00 H new ATOM 0 HB2 SER A 123 3.618 -9.838 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 123 4.295 -11.423 -4.611 1.00 0.00 H new ATOM 0 HG SER A 123 2.897 -11.418 -6.443 1.00 0.00 H new ATOM 1818 N GLY A 124 4.537 -11.330 -1.672 1.00 0.00 N ATOM 1819 CA GLY A 124 5.565 -11.025 -0.684 1.00 0.00 C ATOM 1820 C GLY A 124 5.009 -11.105 0.732 1.00 0.00 C ATOM 1821 O GLY A 124 5.630 -10.628 1.682 1.00 0.00 O ATOM 0 H GLY A 124 4.446 -12.322 -1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 124 6.395 -11.723 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.963 -10.027 -0.865 1.00 0.00 H new ATOM 1825 N MET A 125 3.833 -11.710 0.867 1.00 0.00 N ATOM 1826 CA MET A 125 3.215 -11.899 2.174 1.00 0.00 C ATOM 1827 C MET A 125 4.109 -12.723 3.093 1.00 0.00 C ATOM 1828 O MET A 125 4.071 -12.568 4.314 1.00 0.00 O ATOM 1829 CB MET A 125 1.850 -12.566 2.020 1.00 0.00 C ATOM 1830 CG MET A 125 0.761 -11.655 1.471 1.00 0.00 C ATOM 1831 SD MET A 125 0.516 -10.180 2.481 1.00 0.00 S ATOM 1832 CE MET A 125 0.215 -10.914 4.085 1.00 0.00 C ATOM 0 H MET A 125 3.289 -12.078 0.087 1.00 0.00 H new ATOM 0 HA MET A 125 3.080 -10.918 2.630 1.00 0.00 H new ATOM 0 HB2 MET A 125 1.953 -13.427 1.360 1.00 0.00 H new ATOM 0 HB3 MET A 125 1.533 -12.945 2.992 1.00 0.00 H new ATOM 0 HG2 MET A 125 1.020 -11.356 0.455 1.00 0.00 H new ATOM 0 HG3 MET A 125 -0.175 -12.210 1.411 1.00 0.00 H new ATOM 0 HE1 MET A 125 -0.472 -10.284 4.650 1.00 0.00 H new ATOM 0 HE2 MET A 125 -0.223 -11.904 3.956 1.00 0.00 H new ATOM 0 HE3 MET A 125 1.156 -11.002 4.627 1.00 0.00 H new ATOM 1842 N ASP A 126 4.913 -13.598 2.498 1.00 0.00 N ATOM 1843 CA ASP A 126 5.895 -14.369 3.251 1.00 0.00 C ATOM 1844 C ASP A 126 6.854 -13.455 4.004 1.00 0.00 C ATOM 1845 O ASP A 126 7.321 -13.790 5.091 1.00 0.00 O ATOM 1846 CB ASP A 126 6.685 -15.289 2.317 1.00 0.00 C ATOM 1847 CG ASP A 126 5.862 -16.466 1.809 1.00 0.00 C ATOM 1848 OD1 ASP A 126 4.794 -16.686 2.327 1.00 0.00 O ATOM 1849 OD2 ASP A 126 6.311 -17.133 0.908 1.00 0.00 O ATOM 0 H ASP A 126 4.904 -13.791 1.496 1.00 0.00 H new ATOM 0 HA ASP A 126 5.353 -14.975 3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 126 7.047 -14.711 1.467 1.00 0.00 H new ATOM 0 HB3 ASP A 126 7.562 -15.666 2.843 1.00 0.00 H new ATOM 1854 N VAL A 127 7.143 -12.298 3.418 1.00 0.00 N ATOM 1855 CA VAL A 127 7.969 -11.292 4.074 1.00 0.00 C ATOM 1856 C VAL A 127 7.155 -10.473 5.068 1.00 0.00 C ATOM 1857 O VAL A 127 7.593 -10.229 6.192 1.00 0.00 O ATOM 1858 CB VAL A 127 8.596 -10.350 3.028 1.00 0.00 C ATOM 1859 CG1 VAL A 127 9.359 -9.227 3.713 1.00 0.00 C ATOM 1860 CG2 VAL A 127 9.510 -11.139 2.103 1.00 0.00 C ATOM 0 H VAL A 127 6.817 -12.034 2.488 1.00 0.00 H new ATOM 0 HA VAL A 127 8.758 -11.813 4.616 1.00 0.00 H new ATOM 0 HB VAL A 127 7.801 -9.902 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.795 -8.571 2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.677 -8.654 4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 127 10.152 -9.649 4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.950 -10.467 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 127 10.303 -11.606 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.933 -11.910 1.592 1.00 0.00 H new ATOM 1870 N VAL A 128 5.968 -10.051 4.646 1.00 0.00 N ATOM 1871 CA VAL A 128 5.098 -9.240 5.491 1.00 0.00 C ATOM 1872 C VAL A 128 4.862 -9.908 6.839 1.00 0.00 C ATOM 1873 O VAL A 128 4.926 -9.259 7.884 1.00 0.00 O ATOM 1874 CB VAL A 128 3.745 -9.003 4.794 1.00 0.00 C ATOM 1875 CG1 VAL A 128 2.761 -8.350 5.752 1.00 0.00 C ATOM 1876 CG2 VAL A 128 3.945 -8.142 3.556 1.00 0.00 C ATOM 0 H VAL A 128 5.586 -10.257 3.723 1.00 0.00 H new ATOM 0 HA VAL A 128 5.595 -8.284 5.658 1.00 0.00 H new ATOM 0 HB VAL A 128 3.331 -9.964 4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.810 -8.190 5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.607 -8.999 6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.160 -7.392 6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.984 -7.978 3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.373 -7.182 3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.621 -8.648 2.866 1.00 0.00 H new ATOM 1886 N ARG A 129 4.589 -11.208 6.809 1.00 0.00 N ATOM 1887 CA ARG A 129 4.201 -11.936 8.012 1.00 0.00 C ATOM 1888 C ARG A 129 5.410 -12.240 8.886 1.00 0.00 C ATOM 1889 O ARG A 129 5.268 -12.686 10.026 1.00 0.00 O ATOM 1890 CB ARG A 129 3.501 -13.237 7.647 1.00 0.00 C ATOM 1891 CG ARG A 129 2.155 -13.069 6.960 1.00 0.00 C ATOM 1892 CD ARG A 129 1.543 -14.379 6.623 1.00 0.00 C ATOM 1893 NE ARG A 129 2.290 -15.078 5.590 1.00 0.00 N ATOM 1894 CZ ARG A 129 1.999 -16.312 5.137 1.00 0.00 C ATOM 1895 NH1 ARG A 129 0.976 -16.971 5.634 1.00 0.00 N ATOM 1896 NH2 ARG A 129 2.742 -16.862 4.191 1.00 0.00 N ATOM 0 H ARG A 129 4.629 -11.779 5.965 1.00 0.00 H new ATOM 0 HA ARG A 129 3.515 -11.301 8.573 1.00 0.00 H new ATOM 0 HB2 ARG A 129 4.156 -13.814 6.994 1.00 0.00 H new ATOM 0 HB3 ARG A 129 3.358 -13.823 8.555 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.482 -12.509 7.610 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.281 -12.482 6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.496 -14.998 7.519 1.00 0.00 H new ATOM 0 HD3 ARG A 129 0.517 -14.225 6.288 1.00 0.00 H new ATOM 0 HE ARG A 129 3.092 -14.599 5.179 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.402 -16.547 6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 129 0.756 -17.906 5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 129 3.536 -16.351 3.804 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.521 -17.797 3.848 1.00 0.00 H new ATOM 1910 N THR A 130 6.600 -11.999 8.347 1.00 0.00 N ATOM 1911 CA THR A 130 7.836 -12.249 9.077 1.00 0.00 C ATOM 1912 C THR A 130 8.566 -10.948 9.385 1.00 0.00 C ATOM 1913 O THR A 130 9.749 -10.953 9.726 1.00 0.00 O ATOM 1914 CB THR A 130 8.767 -13.189 8.288 1.00 0.00 C ATOM 1915 OG1 THR A 130 9.067 -12.609 7.012 1.00 0.00 O ATOM 1916 CG2 THR A 130 8.107 -14.543 8.083 1.00 0.00 C ATOM 0 H THR A 130 6.734 -11.630 7.406 1.00 0.00 H new ATOM 0 HA THR A 130 7.563 -12.730 10.016 1.00 0.00 H new ATOM 0 HB THR A 130 9.687 -13.327 8.857 1.00 0.00 H new ATOM 0 HG1 THR A 130 8.514 -13.032 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 130 8.779 -15.194 7.524 1.00 0.00 H new ATOM 0 HG22 THR A 130 7.889 -14.992 9.052 1.00 0.00 H new ATOM 0 HG23 THR A 130 7.179 -14.415 7.526 1.00 0.00 H new ATOM 1924 N MET A 131 7.854 -9.832 9.262 1.00 0.00 N ATOM 1925 CA MET A 131 8.399 -8.531 9.630 1.00 0.00 C ATOM 1926 C MET A 131 8.677 -8.452 11.125 1.00 0.00 C ATOM 1927 O MET A 131 8.063 -9.165 11.919 1.00 0.00 O ATOM 1928 CB MET A 131 7.440 -7.419 9.207 1.00 0.00 C ATOM 1929 CG MET A 131 7.404 -7.155 7.708 1.00 0.00 C ATOM 1930 SD MET A 131 6.275 -5.819 7.265 1.00 0.00 S ATOM 1931 CE MET A 131 6.606 -5.664 5.512 1.00 0.00 C ATOM 0 H MET A 131 6.897 -9.803 8.910 1.00 0.00 H new ATOM 0 HA MET A 131 9.346 -8.400 9.107 1.00 0.00 H new ATOM 0 HB2 MET A 131 6.435 -7.676 9.543 1.00 0.00 H new ATOM 0 HB3 MET A 131 7.722 -6.499 9.719 1.00 0.00 H new ATOM 0 HG2 MET A 131 8.408 -6.907 7.362 1.00 0.00 H new ATOM 0 HG3 MET A 131 7.104 -8.066 7.190 1.00 0.00 H new ATOM 0 HE1 MET A 131 5.678 -5.442 4.985 1.00 0.00 H new ATOM 0 HE2 MET A 131 7.320 -4.857 5.346 1.00 0.00 H new ATOM 0 HE3 MET A 131 7.022 -6.599 5.136 1.00 0.00 H new ATOM 1941 N LYS A 132 9.607 -7.583 11.503 1.00 0.00 N ATOM 1942 CA LYS A 132 9.941 -7.380 12.908 1.00 0.00 C ATOM 1943 C LYS A 132 9.860 -5.907 13.287 1.00 0.00 C ATOM 1944 O LYS A 132 10.015 -5.029 12.439 1.00 0.00 O ATOM 1945 CB LYS A 132 11.337 -7.925 13.212 1.00 0.00 C ATOM 1946 CG LYS A 132 11.473 -9.433 13.048 1.00 0.00 C ATOM 1947 CD LYS A 132 12.883 -9.900 13.377 1.00 0.00 C ATOM 1948 CE LYS A 132 13.027 -11.404 13.192 1.00 0.00 C ATOM 1949 NZ LYS A 132 14.403 -11.874 13.506 1.00 0.00 N ATOM 0 H LYS A 132 10.144 -7.007 10.855 1.00 0.00 H new ATOM 0 HA LYS A 132 9.211 -7.926 13.505 1.00 0.00 H new ATOM 0 HB2 LYS A 132 12.056 -7.434 12.556 1.00 0.00 H new ATOM 0 HB3 LYS A 132 11.604 -7.657 14.234 1.00 0.00 H new ATOM 0 HG2 LYS A 132 10.759 -9.938 13.699 1.00 0.00 H new ATOM 0 HG3 LYS A 132 11.224 -9.714 12.025 1.00 0.00 H new ATOM 0 HD2 LYS A 132 13.598 -9.383 12.737 1.00 0.00 H new ATOM 0 HD3 LYS A 132 13.125 -9.633 14.406 1.00 0.00 H new ATOM 0 HE2 LYS A 132 12.313 -11.919 13.835 1.00 0.00 H new ATOM 0 HE3 LYS A 132 12.779 -11.668 12.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 14.458 -12.903 13.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 15.083 -11.403 12.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 14.631 -11.645 14.495 1.00 0.00 H new ATOM 1963 N ASN A 133 9.617 -5.642 14.566 1.00 0.00 N ATOM 1964 CA ASN A 133 9.436 -4.277 15.045 1.00 0.00 C ATOM 1965 C ASN A 133 10.729 -3.479 14.936 1.00 0.00 C ATOM 1966 O ASN A 133 11.688 -3.730 15.665 1.00 0.00 O ATOM 1967 CB ASN A 133 8.928 -4.276 16.475 1.00 0.00 C ATOM 1968 CG ASN A 133 8.599 -2.895 16.971 1.00 0.00 C ATOM 1969 OD1 ASN A 133 9.128 -1.899 16.466 1.00 0.00 O ATOM 1970 ND2 ASN A 133 7.735 -2.817 17.951 1.00 0.00 N ATOM 0 H ASN A 133 9.541 -6.356 15.291 1.00 0.00 H new ATOM 0 HA ASN A 133 8.691 -3.796 14.412 1.00 0.00 H new ATOM 0 HB2 ASN A 133 8.039 -4.903 16.541 1.00 0.00 H new ATOM 0 HB3 ASN A 133 9.681 -4.721 17.125 1.00 0.00 H new ATOM 0 HD21 ASN A 133 7.473 -1.906 18.329 1.00 0.00 H new ATOM 0 HD22 ASN A 133 7.324 -3.667 18.337 1.00 0.00 H new ATOM 1977 N GLY A 134 10.748 -2.516 14.020 1.00 0.00 N ATOM 1978 CA GLY A 134 11.876 -1.601 13.894 1.00 0.00 C ATOM 1979 C GLY A 134 12.693 -1.904 12.644 1.00 0.00 C ATOM 1980 O GLY A 134 13.747 -1.307 12.420 1.00 0.00 O ATOM 0 H GLY A 134 9.994 -2.349 13.354 1.00 0.00 H new ATOM 0 HA2 GLY A 134 11.512 -0.574 13.854 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.512 -1.680 14.776 1.00 0.00 H new ATOM 1984 N ASP A 135 12.201 -2.832 11.831 1.00 0.00 N ATOM 1985 CA ASP A 135 12.840 -3.157 10.562 1.00 0.00 C ATOM 1986 C ASP A 135 12.905 -1.939 9.651 1.00 0.00 C ATOM 1987 O ASP A 135 12.053 -1.053 9.720 1.00 0.00 O ATOM 1988 CB ASP A 135 12.090 -4.290 9.858 1.00 0.00 C ATOM 1989 CG ASP A 135 12.410 -5.662 10.435 1.00 0.00 C ATOM 1990 OD1 ASP A 135 13.295 -5.749 11.254 1.00 0.00 O ATOM 1991 OD2 ASP A 135 11.768 -6.611 10.052 1.00 0.00 O ATOM 0 H ASP A 135 11.360 -3.373 12.029 1.00 0.00 H new ATOM 0 HA ASP A 135 13.858 -3.482 10.778 1.00 0.00 H new ATOM 0 HB2 ASP A 135 11.018 -4.111 9.934 1.00 0.00 H new ATOM 0 HB3 ASP A 135 12.340 -4.280 8.797 1.00 0.00 H new ATOM 1996 N VAL A 136 13.922 -1.900 8.795 1.00 0.00 N ATOM 1997 CA VAL A 136 14.134 -0.761 7.910 1.00 0.00 C ATOM 1998 C VAL A 136 13.651 -1.062 6.497 1.00 0.00 C ATOM 1999 O VAL A 136 13.946 -2.120 5.942 1.00 0.00 O ATOM 2000 CB VAL A 136 15.629 -0.389 7.870 1.00 0.00 C ATOM 2001 CG1 VAL A 136 15.852 0.820 6.974 1.00 0.00 C ATOM 2002 CG2 VAL A 136 16.133 -0.117 9.279 1.00 0.00 C ATOM 0 H VAL A 136 14.612 -2.645 8.696 1.00 0.00 H new ATOM 0 HA VAL A 136 13.558 0.076 8.303 1.00 0.00 H new ATOM 0 HB VAL A 136 16.191 -1.225 7.455 1.00 0.00 H new ATOM 0 HG11 VAL A 136 16.913 1.069 6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.517 0.590 5.963 1.00 0.00 H new ATOM 0 HG13 VAL A 136 15.286 1.668 7.360 1.00 0.00 H new ATOM 0 HG21 VAL A 136 17.190 0.145 9.243 1.00 0.00 H new ATOM 0 HG22 VAL A 136 15.569 0.708 9.714 1.00 0.00 H new ATOM 0 HG23 VAL A 136 16.001 -1.009 9.891 1.00 0.00 H new ATOM 2012 N MET A 137 12.905 -0.125 5.921 1.00 0.00 N ATOM 2013 CA MET A 137 12.440 -0.256 4.546 1.00 0.00 C ATOM 2014 C MET A 137 13.459 0.305 3.563 1.00 0.00 C ATOM 2015 O MET A 137 13.736 1.505 3.558 1.00 0.00 O ATOM 2016 CB MET A 137 11.094 0.444 4.376 1.00 0.00 C ATOM 2017 CG MET A 137 9.939 -0.222 5.111 1.00 0.00 C ATOM 2018 SD MET A 137 8.426 0.759 5.065 1.00 0.00 S ATOM 2019 CE MET A 137 8.712 1.884 6.429 1.00 0.00 C ATOM 0 H MET A 137 12.610 0.734 6.386 1.00 0.00 H new ATOM 0 HA MET A 137 12.317 -1.317 4.330 1.00 0.00 H new ATOM 0 HB2 MET A 137 11.187 1.472 4.726 1.00 0.00 H new ATOM 0 HB3 MET A 137 10.854 0.490 3.314 1.00 0.00 H new ATOM 0 HG2 MET A 137 9.747 -1.199 4.668 1.00 0.00 H new ATOM 0 HG3 MET A 137 10.225 -0.393 6.149 1.00 0.00 H new ATOM 0 HE1 MET A 137 8.396 2.888 6.145 1.00 0.00 H new ATOM 0 HE2 MET A 137 8.141 1.556 7.297 1.00 0.00 H new ATOM 0 HE3 MET A 137 9.774 1.894 6.676 1.00 0.00 H new ATOM 2029 N LYS A 138 14.015 -0.569 2.731 1.00 0.00 N ATOM 2030 CA LYS A 138 15.139 -0.205 1.876 1.00 0.00 C ATOM 2031 C LYS A 138 14.742 0.868 0.871 1.00 0.00 C ATOM 2032 O LYS A 138 15.408 1.897 0.750 1.00 0.00 O ATOM 2033 CB LYS A 138 15.677 -1.436 1.145 1.00 0.00 C ATOM 2034 CG LYS A 138 16.827 -1.148 0.189 1.00 0.00 C ATOM 2035 CD LYS A 138 17.354 -2.427 -0.443 1.00 0.00 C ATOM 2036 CE LYS A 138 18.458 -2.134 -1.448 1.00 0.00 C ATOM 2037 NZ LYS A 138 18.998 -3.379 -2.060 1.00 0.00 N ATOM 0 H LYS A 138 13.705 -1.536 2.630 1.00 0.00 H new ATOM 0 HA LYS A 138 15.925 0.200 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 138 16.009 -2.166 1.884 1.00 0.00 H new ATOM 0 HB3 LYS A 138 14.862 -1.896 0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 138 16.491 -0.466 -0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 138 17.632 -0.647 0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 138 17.734 -3.089 0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 138 16.538 -2.953 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 138 18.072 -1.483 -2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 138 19.265 -1.593 -0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 19.748 -3.135 -2.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 19.390 -3.990 -1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 18.234 -3.883 -2.554 1.00 0.00 H new ATOM 2051 N GLU A 139 13.652 0.624 0.152 1.00 0.00 N ATOM 2052 CA GLU A 139 13.245 1.497 -0.943 1.00 0.00 C ATOM 2053 C GLU A 139 11.810 1.211 -1.371 1.00 0.00 C ATOM 2054 O GLU A 139 11.272 0.140 -1.095 1.00 0.00 O ATOM 2055 CB GLU A 139 14.186 1.329 -2.138 1.00 0.00 C ATOM 2056 CG GLU A 139 14.175 -0.062 -2.756 1.00 0.00 C ATOM 2057 CD GLU A 139 15.213 -0.233 -3.831 1.00 0.00 C ATOM 2058 OE1 GLU A 139 15.946 0.694 -4.074 1.00 0.00 O ATOM 2059 OE2 GLU A 139 15.272 -1.293 -4.409 1.00 0.00 O ATOM 0 H GLU A 139 13.034 -0.172 0.308 1.00 0.00 H new ATOM 0 HA GLU A 139 13.299 2.526 -0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 139 13.915 2.056 -2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 139 15.202 1.564 -1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 139 14.343 -0.803 -1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 139 13.189 -0.260 -3.176 1.00 0.00 H new ATOM 2066 N VAL A 140 11.196 2.177 -2.046 1.00 0.00 N ATOM 2067 CA VAL A 140 9.808 2.051 -2.472 1.00 0.00 C ATOM 2068 C VAL A 140 9.604 2.628 -3.866 1.00 0.00 C ATOM 2069 O VAL A 140 10.167 3.668 -4.206 1.00 0.00 O ATOM 2070 CB VAL A 140 8.877 2.773 -1.479 1.00 0.00 C ATOM 2071 CG1 VAL A 140 9.132 4.273 -1.506 1.00 0.00 C ATOM 2072 CG2 VAL A 140 7.425 2.468 -1.815 1.00 0.00 C ATOM 0 H VAL A 140 11.639 3.057 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 140 9.564 0.989 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 140 9.085 2.412 -0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 140 8.466 4.768 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 140 10.167 4.471 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 140 8.945 4.656 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 140 6.773 2.982 -1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 140 7.206 2.810 -2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 140 7.255 1.393 -1.751 1.00 0.00 H new ATOM 2082 N LYS A 141 8.797 1.946 -4.672 1.00 0.00 N ATOM 2083 CA LYS A 141 8.506 2.398 -6.027 1.00 0.00 C ATOM 2084 C LYS A 141 7.073 2.066 -6.422 1.00 0.00 C ATOM 2085 O LYS A 141 6.501 1.082 -5.952 1.00 0.00 O ATOM 2086 CB LYS A 141 9.485 1.771 -7.022 1.00 0.00 C ATOM 2087 CG LYS A 141 10.924 2.246 -6.872 1.00 0.00 C ATOM 2088 CD LYS A 141 11.824 1.625 -7.929 1.00 0.00 C ATOM 2089 CE LYS A 141 13.263 2.099 -7.781 1.00 0.00 C ATOM 2090 NZ LYS A 141 14.158 1.483 -8.797 1.00 0.00 N ATOM 0 H LYS A 141 8.332 1.077 -4.409 1.00 0.00 H new ATOM 0 HA LYS A 141 8.623 3.481 -6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 141 9.459 0.688 -6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 141 9.146 1.991 -8.034 1.00 0.00 H new ATOM 0 HG2 LYS A 141 10.961 3.332 -6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 141 11.293 1.987 -5.880 1.00 0.00 H new ATOM 0 HD2 LYS A 141 11.787 0.539 -7.848 1.00 0.00 H new ATOM 0 HD3 LYS A 141 11.454 1.883 -8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 141 13.299 3.184 -7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 141 13.625 1.854 -6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 15.128 1.832 -8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 14.144 0.449 -8.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 13.828 1.737 -9.750 1.00 0.00 H new ATOM 2104 N VAL A 142 6.498 2.891 -7.290 1.00 0.00 N ATOM 2105 CA VAL A 142 5.146 2.662 -7.785 1.00 0.00 C ATOM 2106 C VAL A 142 5.100 2.713 -9.307 1.00 0.00 C ATOM 2107 O VAL A 142 6.031 3.199 -9.950 1.00 0.00 O ATOM 2108 CB VAL A 142 4.180 3.714 -7.209 1.00 0.00 C ATOM 2109 CG1 VAL A 142 4.074 3.570 -5.698 1.00 0.00 C ATOM 2110 CG2 VAL A 142 4.651 5.111 -7.586 1.00 0.00 C ATOM 0 H VAL A 142 6.948 3.726 -7.666 1.00 0.00 H new ATOM 0 HA VAL A 142 4.839 1.668 -7.460 1.00 0.00 H new ATOM 0 HB VAL A 142 3.189 3.554 -7.633 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.387 4.321 -5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 142 3.701 2.576 -5.453 1.00 0.00 H new ATOM 0 HG13 VAL A 142 5.057 3.710 -5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 142 3.963 5.850 -7.175 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.649 5.280 -7.182 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.679 5.205 -8.672 1.00 0.00 H new ATOM 2120 N PHE A 143 4.012 2.210 -9.879 1.00 0.00 N ATOM 2121 CA PHE A 143 3.849 2.184 -11.328 1.00 0.00 C ATOM 2122 C PHE A 143 2.383 2.042 -11.715 1.00 0.00 C ATOM 2123 O PHE A 143 1.579 1.504 -10.954 1.00 0.00 O ATOM 2124 CB PHE A 143 4.656 1.035 -11.935 1.00 0.00 C ATOM 2125 CG PHE A 143 4.165 -0.326 -11.537 1.00 0.00 C ATOM 2126 CD1 PHE A 143 4.593 -0.918 -10.358 1.00 0.00 C ATOM 2127 CD2 PHE A 143 3.272 -1.020 -12.341 1.00 0.00 C ATOM 2128 CE1 PHE A 143 4.144 -2.171 -9.991 1.00 0.00 C ATOM 2129 CE2 PHE A 143 2.819 -2.274 -11.975 1.00 0.00 C ATOM 2130 CZ PHE A 143 3.256 -2.850 -10.801 1.00 0.00 C ATOM 0 H PHE A 143 3.228 1.814 -9.360 1.00 0.00 H new ATOM 0 HA PHE A 143 4.219 3.131 -11.721 1.00 0.00 H new ATOM 0 HB2 PHE A 143 4.628 1.118 -13.021 1.00 0.00 H new ATOM 0 HB3 PHE A 143 5.699 1.137 -11.634 1.00 0.00 H new ATOM 0 HD1 PHE A 143 5.287 -0.392 -9.719 1.00 0.00 H new ATOM 0 HD2 PHE A 143 2.927 -0.576 -13.263 1.00 0.00 H new ATOM 0 HE1 PHE A 143 4.487 -2.620 -9.071 1.00 0.00 H new ATOM 0 HE2 PHE A 143 2.123 -2.803 -12.609 1.00 0.00 H new ATOM 0 HZ PHE A 143 2.904 -3.830 -10.516 1.00 0.00 H new ATOM 2140 N ASP A 144 2.040 2.529 -12.903 1.00 0.00 N ATOM 2141 CA ASP A 144 0.683 2.403 -13.420 1.00 0.00 C ATOM 2142 C ASP A 144 0.517 1.118 -14.222 1.00 0.00 C ATOM 2143 O ASP A 144 1.202 0.908 -15.223 1.00 0.00 O ATOM 2144 CB ASP A 144 0.328 3.608 -14.294 1.00 0.00 C ATOM 2145 CG ASP A 144 -1.137 3.628 -14.710 1.00 0.00 C ATOM 2146 OD1 ASP A 144 -1.609 2.630 -15.200 1.00 0.00 O ATOM 2147 OD2 ASP A 144 -1.770 4.640 -14.531 1.00 0.00 O ATOM 0 H ASP A 144 2.685 3.015 -13.526 1.00 0.00 H new ATOM 0 HA ASP A 144 0.005 2.368 -12.567 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.559 4.525 -13.751 1.00 0.00 H new ATOM 0 HB3 ASP A 144 0.954 3.600 -15.186 1.00 0.00 H new ATOM 2152 N GLU A 145 -0.398 0.263 -13.777 1.00 0.00 N ATOM 2153 CA GLU A 145 -0.707 -0.969 -14.494 1.00 0.00 C ATOM 2154 C GLU A 145 -1.645 -0.705 -15.665 1.00 0.00 C ATOM 2155 O GLU A 145 -2.766 -0.230 -15.479 1.00 0.00 O ATOM 2156 CB GLU A 145 -1.335 -1.993 -13.546 1.00 0.00 C ATOM 2157 CG GLU A 145 -1.733 -3.304 -14.210 1.00 0.00 C ATOM 2158 CD GLU A 145 -0.552 -4.170 -14.551 1.00 0.00 C ATOM 2159 OE1 GLU A 145 0.190 -4.507 -13.660 1.00 0.00 O ATOM 2160 OE2 GLU A 145 -0.392 -4.494 -15.703 1.00 0.00 O ATOM 0 H GLU A 145 -0.939 0.401 -12.923 1.00 0.00 H new ATOM 0 HA GLU A 145 0.228 -1.369 -14.887 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -0.630 -2.206 -12.742 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -2.218 -1.550 -13.086 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -2.400 -3.854 -13.546 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -2.294 -3.089 -15.119 1.00 0.00 H new ATOM 2167 N PRO A 146 -1.180 -1.016 -16.870 1.00 0.00 N ATOM 2168 CA PRO A 146 -1.979 -0.817 -18.073 1.00 0.00 C ATOM 2169 C PRO A 146 -3.068 -1.876 -18.192 1.00 0.00 C ATOM 2170 O PRO A 146 -4.029 -1.603 -18.217 1.00 0.00 O ATOM 2171 CB PRO A 146 -0.945 -0.941 -19.197 1.00 0.00 C ATOM 2172 CG PRO A 146 0.079 -1.877 -18.650 1.00 0.00 C ATOM 2173 CD PRO A 146 0.179 -1.512 -17.193 1.00 0.00 C ATOM 2174 OXT PRO A 146 -2.770 -3.037 -18.256 1.00 0.00 O ATOM 0 HA PRO A 146 -2.509 0.135 -18.087 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -1.394 -1.331 -20.110 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -0.508 0.026 -19.445 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -0.223 -2.916 -18.780 1.00 0.00 H new ATOM 0 HG3 PRO A 146 1.037 -1.758 -19.156 1.00 0.00 H new ATOM 0 HD2 PRO A 146 0.449 -2.372 -16.581 1.00 0.00 H new ATOM 0 HD3 PRO A 146 0.937 -0.748 -17.021 1.00 0.00 H new TER 2182 PRO A 146