USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 682 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 45 LYS NZ :NH3+ -149:sc= 1.29 (180deg=1.08) USER MOD Set 1.2: A 59 MET CE :methyl -173:sc= 0 (180deg=-0.0875) USER MOD Set 2.1: A 40 MET CE :methyl 166:sc= -0.0934 (180deg=-0.408) USER MOD Set 2.2: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 35 HIS : no HD1:sc= -0.382 X(o=-0.67,f=-0.31) USER MOD Set 3.2: B 199 CYS SG : rot 180:sc= -0.284 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -146:sc= 1.25 (180deg=-3.45!) USER MOD Single : A 25 LYS NZ :NH3+ -156:sc= 1.23 (180deg=1.11) USER MOD Single : A 29 GLN : amide:sc= -0.797 K(o=-0.8,f=-1.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -126:sc= 0.679 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -56:sc= 0.356 USER MOD Single : A 43 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.019) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= 1.85 (180deg=1.44) USER MOD Single : A 50 SER OG : rot 84:sc= -0.638! USER MOD Single : A 51 TYR OH : rot 180:sc= -0.236 USER MOD Single : A 52 CYS SG : rot 84:sc= 1.26 USER MOD Single : A 53 GLN : amide:sc= -0.425 K(o=-0.43,f=-3.3!) USER MOD Single : A 55 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.52) USER MOD Single : A 60 ASN : amide:sc= 0.968 K(o=0.97,f=-0.057) USER MOD Single : A 61 SER OG : rot -89:sc= 1.24 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 74 ASN : amide:sc= 0.278 K(o=0.28,f=-4.9!) USER MOD Single : A 75 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-3.9!) USER MOD Single : A 76 THR OG1 : rot 52:sc= 1.03 USER MOD Single : A 82 MET CE :methyl -162:sc= 0 (180deg=-0.379) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0564 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.310 -6.581 -1.330 1.00 10.00 N ATOM 2 CA TYR A 21 11.910 -6.185 -1.391 1.00 10.00 C ATOM 3 C TYR A 21 11.196 -6.533 -0.095 1.00 10.00 C ATOM 4 O TYR A 21 11.344 -7.638 0.426 1.00 10.00 O ATOM 5 CB TYR A 21 11.197 -6.874 -2.556 1.00 10.00 C ATOM 6 CG TYR A 21 11.563 -6.331 -3.917 1.00 10.00 C ATOM 7 CD1 TYR A 21 10.837 -5.293 -4.492 1.00 10.00 C ATOM 8 CD2 TYR A 21 12.624 -6.866 -4.634 1.00 10.00 C ATOM 9 CE1 TYR A 21 11.166 -4.803 -5.741 1.00 10.00 C ATOM 10 CE2 TYR A 21 12.960 -6.379 -5.880 1.00 10.00 C ATOM 11 CZ TYR A 21 12.227 -5.350 -6.430 1.00 10.00 C ATOM 12 OH TYR A 21 12.556 -4.871 -7.677 1.00 10.00 O ATOM 0 HA TYR A 21 11.881 -5.106 -1.542 1.00 10.00 H new ATOM 0 HB2 TYR A 21 11.427 -7.939 -2.529 1.00 10.00 H new ATOM 0 HB3 TYR A 21 10.120 -6.777 -2.416 1.00 10.00 H new ATOM 0 HD1 TYR A 21 10.004 -4.864 -3.954 1.00 10.00 H new ATOM 0 HD2 TYR A 21 13.196 -7.677 -4.209 1.00 10.00 H new ATOM 0 HE1 TYR A 21 10.595 -3.996 -6.175 1.00 10.00 H new ATOM 0 HE2 TYR A 21 13.793 -6.802 -6.422 1.00 10.00 H new ATOM 0 HH TYR A 21 13.328 -5.365 -8.024 1.00 10.00 H new ATOM 22 N ILE A 22 10.431 -5.590 0.418 1.00 10.00 N ATOM 23 CA ILE A 22 9.683 -5.798 1.642 1.00 10.00 C ATOM 24 C ILE A 22 8.311 -6.356 1.300 1.00 10.00 C ATOM 25 O ILE A 22 7.517 -5.698 0.625 1.00 10.00 O ATOM 26 CB ILE A 22 9.518 -4.492 2.450 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.879 -3.824 2.681 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.821 -4.768 3.777 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.837 -4.649 3.516 1.00 10.00 C ATOM 0 H ILE A 22 10.311 -4.666 0.003 1.00 10.00 H new ATOM 0 HA ILE A 22 10.241 -6.501 2.260 1.00 10.00 H new ATOM 0 HB ILE A 22 8.896 -3.808 1.873 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.340 -3.618 1.715 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.722 -2.863 3.170 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.714 -3.836 4.332 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.835 -5.194 3.589 1.00 10.00 H new ATOM 0 HG23 ILE A 22 9.415 -5.472 4.360 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.776 -4.108 3.634 1.00 10.00 H new ATOM 0 HD12 ILE A 22 11.399 -4.833 4.497 1.00 10.00 H new ATOM 0 HD13 ILE A 22 12.026 -5.600 3.019 1.00 10.00 H new ATOM 41 N LYS A 23 8.050 -7.572 1.745 1.00 10.00 N ATOM 42 CA LYS A 23 6.781 -8.228 1.478 1.00 10.00 C ATOM 43 C LYS A 23 5.745 -7.833 2.518 1.00 10.00 C ATOM 44 O LYS A 23 5.977 -7.977 3.716 1.00 10.00 O ATOM 45 CB LYS A 23 6.962 -9.744 1.489 1.00 10.00 C ATOM 46 CG LYS A 23 7.793 -10.278 0.335 1.00 10.00 C ATOM 47 CD LYS A 23 8.686 -11.438 0.766 1.00 10.00 C ATOM 48 CE LYS A 23 7.911 -12.531 1.493 1.00 10.00 C ATOM 49 NZ LYS A 23 7.857 -12.299 2.964 1.00 10.00 N ATOM 0 H LYS A 23 8.704 -8.128 2.296 1.00 10.00 H new ATOM 0 HA LYS A 23 6.432 -7.912 0.495 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.433 -10.036 2.428 1.00 10.00 H new ATOM 0 HB3 LYS A 23 5.980 -10.217 1.465 1.00 10.00 H new ATOM 0 HG2 LYS A 23 7.132 -10.607 -0.467 1.00 10.00 H new ATOM 0 HG3 LYS A 23 8.410 -9.476 -0.070 1.00 10.00 H new ATOM 0 HD2 LYS A 23 9.172 -11.864 -0.112 1.00 10.00 H new ATOM 0 HD3 LYS A 23 9.476 -11.062 1.417 1.00 10.00 H new ATOM 0 HE2 LYS A 23 6.897 -12.580 1.097 1.00 10.00 H new ATOM 0 HE3 LYS A 23 8.377 -13.497 1.296 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 7.873 -13.213 3.460 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 8.678 -11.732 3.256 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 6.982 -11.791 3.203 1.00 10.00 H new ATOM 63 N LEU A 24 4.617 -7.317 2.062 1.00 10.00 N ATOM 64 CA LEU A 24 3.541 -6.917 2.957 1.00 10.00 C ATOM 65 C LEU A 24 2.265 -7.657 2.594 1.00 10.00 C ATOM 66 O LEU A 24 2.111 -8.122 1.460 1.00 10.00 O ATOM 67 CB LEU A 24 3.312 -5.406 2.890 1.00 10.00 C ATOM 68 CG LEU A 24 4.521 -4.552 3.277 1.00 10.00 C ATOM 69 CD1 LEU A 24 5.039 -3.784 2.072 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.157 -3.601 4.405 1.00 10.00 C ATOM 0 H LEU A 24 4.420 -7.164 1.073 1.00 10.00 H new ATOM 0 HA LEU A 24 3.826 -7.174 3.977 1.00 10.00 H new ATOM 0 HB2 LEU A 24 3.010 -5.144 1.876 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.480 -5.150 3.546 1.00 10.00 H new ATOM 0 HG LEU A 24 5.315 -5.212 3.627 1.00 10.00 H new ATOM 0 HD11 LEU A 24 5.899 -3.182 2.366 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.337 -4.486 1.294 1.00 10.00 H new ATOM 0 HD13 LEU A 24 4.253 -3.132 1.691 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.027 -3.000 4.669 1.00 10.00 H new ATOM 0 HD22 LEU A 24 3.348 -2.946 4.082 1.00 10.00 H new ATOM 0 HD23 LEU A 24 3.834 -4.174 5.274 1.00 10.00 H new ATOM 82 N LYS A 25 1.351 -7.767 3.549 1.00 10.00 N ATOM 83 CA LYS A 25 0.100 -8.462 3.317 1.00 10.00 C ATOM 84 C LYS A 25 -1.078 -7.502 3.375 1.00 10.00 C ATOM 85 O LYS A 25 -1.404 -6.955 4.431 1.00 10.00 O ATOM 86 CB LYS A 25 -0.096 -9.580 4.342 1.00 10.00 C ATOM 87 CG LYS A 25 0.752 -10.814 4.072 1.00 10.00 C ATOM 88 CD LYS A 25 0.144 -12.062 4.697 1.00 10.00 C ATOM 89 CE LYS A 25 -1.036 -12.575 3.884 1.00 10.00 C ATOM 90 NZ LYS A 25 -1.601 -13.828 4.443 1.00 10.00 N ATOM 0 H LYS A 25 1.456 -7.383 4.488 1.00 10.00 H new ATOM 0 HA LYS A 25 0.146 -8.898 2.319 1.00 10.00 H new ATOM 0 HB2 LYS A 25 0.142 -9.197 5.334 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -1.147 -9.868 4.355 1.00 10.00 H new ATOM 0 HG2 LYS A 25 0.853 -10.958 2.996 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.755 -10.660 4.469 1.00 10.00 H new ATOM 0 HD2 LYS A 25 0.903 -12.841 4.769 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -0.182 -11.839 5.713 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -1.813 -11.811 3.853 1.00 10.00 H new ATOM 0 HE3 LYS A 25 -0.718 -12.749 2.856 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -2.095 -14.351 3.692 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -0.833 -14.415 4.826 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -2.272 -13.597 5.203 1.00 10.00 H new ATOM 104 N VAL A 26 -1.698 -7.288 2.228 1.00 10.00 N ATOM 105 CA VAL A 26 -2.859 -6.417 2.138 1.00 10.00 C ATOM 106 C VAL A 26 -4.123 -7.265 2.145 1.00 10.00 C ATOM 107 O VAL A 26 -4.282 -8.157 1.306 1.00 10.00 O ATOM 108 CB VAL A 26 -2.836 -5.548 0.863 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.789 -4.370 0.999 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.425 -5.069 0.554 1.00 10.00 C ATOM 0 H VAL A 26 -1.416 -7.707 1.342 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.840 -5.746 2.997 1.00 10.00 H new ATOM 0 HB VAL A 26 -3.171 -6.164 0.028 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.758 -3.770 0.090 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.803 -4.738 1.156 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.490 -3.756 1.849 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.437 -4.459 -0.349 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.052 -4.475 1.388 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -0.774 -5.930 0.401 1.00 10.00 H new ATOM 120 N ILE A 27 -5.004 -7.008 3.099 1.00 10.00 N ATOM 121 CA ILE A 27 -6.243 -7.760 3.214 1.00 10.00 C ATOM 122 C ILE A 27 -7.414 -6.967 2.648 1.00 10.00 C ATOM 123 O ILE A 27 -7.789 -5.922 3.185 1.00 10.00 O ATOM 124 CB ILE A 27 -6.538 -8.134 4.684 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.331 -8.846 5.311 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.784 -9.005 4.775 1.00 10.00 C ATOM 127 CD1 ILE A 27 -4.977 -10.163 4.650 1.00 10.00 C ATOM 0 H ILE A 27 -4.883 -6.283 3.806 1.00 10.00 H new ATOM 0 HA ILE A 27 -6.119 -8.677 2.637 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.722 -7.216 5.243 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.467 -8.184 5.263 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -5.536 -9.025 6.366 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.976 -9.258 5.818 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.638 -8.462 4.371 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -7.631 -9.919 4.202 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -4.114 -10.602 5.152 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.824 -10.845 4.722 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.738 -9.991 3.601 1.00 10.00 H new ATOM 139 N GLY A 28 -7.974 -7.459 1.553 1.00 10.00 N ATOM 140 CA GLY A 28 -9.098 -6.790 0.933 1.00 10.00 C ATOM 141 C GLY A 28 -10.406 -7.102 1.628 1.00 10.00 C ATOM 142 O GLY A 28 -10.560 -8.173 2.222 1.00 10.00 O ATOM 0 H GLY A 28 -7.669 -8.311 1.082 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -8.930 -5.713 0.946 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.164 -7.089 -0.113 1.00 10.00 H new ATOM 146 N GLN A 29 -11.353 -6.172 1.540 1.00 10.00 N ATOM 147 CA GLN A 29 -12.663 -6.330 2.165 1.00 10.00 C ATOM 148 C GLN A 29 -13.396 -7.554 1.612 1.00 10.00 C ATOM 149 O GLN A 29 -14.125 -8.234 2.334 1.00 10.00 O ATOM 150 CB GLN A 29 -13.505 -5.074 1.931 1.00 10.00 C ATOM 151 CG GLN A 29 -14.849 -5.098 2.643 1.00 10.00 C ATOM 152 CD GLN A 29 -14.721 -4.899 4.141 1.00 10.00 C ATOM 153 OE1 GLN A 29 -14.769 -3.775 4.635 1.00 10.00 O ATOM 154 NE2 GLN A 29 -14.558 -5.989 4.873 1.00 10.00 N ATOM 0 H GLN A 29 -11.235 -5.293 1.037 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.513 -6.477 3.235 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -12.942 -4.202 2.265 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -13.673 -4.954 0.861 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.488 -4.318 2.230 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.342 -6.050 2.448 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -14.523 -6.904 4.424 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -14.467 -5.914 5.886 1.00 10.00 H new ATOM 163 N ASP A 30 -13.161 -7.846 0.341 1.00 10.00 N ATOM 164 CA ASP A 30 -13.798 -8.974 -0.336 1.00 10.00 C ATOM 165 C ASP A 30 -13.082 -10.288 -0.028 1.00 10.00 C ATOM 166 O ASP A 30 -13.265 -11.281 -0.735 1.00 10.00 O ATOM 167 CB ASP A 30 -13.796 -8.738 -1.849 1.00 10.00 C ATOM 168 CG ASP A 30 -12.401 -8.813 -2.436 1.00 10.00 C ATOM 169 OD1 ASP A 30 -11.537 -8.014 -2.024 1.00 10.00 O ATOM 170 OD2 ASP A 30 -12.161 -9.674 -3.311 1.00 10.00 O ATOM 0 H ASP A 30 -12.526 -7.311 -0.251 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.822 -9.048 0.030 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -14.432 -9.480 -2.332 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -14.227 -7.760 -2.063 1.00 10.00 H new ATOM 175 N SER A 31 -12.270 -10.280 1.027 1.00 10.00 N ATOM 176 CA SER A 31 -11.515 -11.454 1.453 1.00 10.00 C ATOM 177 C SER A 31 -10.453 -11.822 0.418 1.00 10.00 C ATOM 178 O SER A 31 -10.361 -12.967 -0.025 1.00 10.00 O ATOM 179 CB SER A 31 -12.451 -12.640 1.716 1.00 10.00 C ATOM 180 OG SER A 31 -13.596 -12.237 2.453 1.00 10.00 O ATOM 0 H SER A 31 -12.118 -9.458 1.611 1.00 10.00 H new ATOM 0 HA SER A 31 -11.009 -11.209 2.387 1.00 10.00 H new ATOM 0 HB2 SER A 31 -12.762 -13.079 0.768 1.00 10.00 H new ATOM 0 HB3 SER A 31 -11.916 -13.414 2.265 1.00 10.00 H new ATOM 0 HG SER A 31 -14.176 -13.012 2.605 1.00 10.00 H new ATOM 186 N SER A 32 -9.654 -10.836 0.037 1.00 10.00 N ATOM 187 CA SER A 32 -8.592 -11.042 -0.934 1.00 10.00 C ATOM 188 C SER A 32 -7.234 -10.798 -0.285 1.00 10.00 C ATOM 189 O SER A 32 -7.055 -9.823 0.447 1.00 10.00 O ATOM 190 CB SER A 32 -8.782 -10.099 -2.125 1.00 10.00 C ATOM 191 OG SER A 32 -9.063 -8.777 -1.692 1.00 10.00 O ATOM 0 H SER A 32 -9.723 -9.881 0.388 1.00 10.00 H new ATOM 0 HA SER A 32 -8.632 -12.072 -1.288 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.882 -10.100 -2.740 1.00 10.00 H new ATOM 0 HB3 SER A 32 -9.597 -10.460 -2.752 1.00 10.00 H new ATOM 0 HG SER A 32 -9.891 -8.464 -2.113 1.00 10.00 H new ATOM 197 N GLU A 33 -6.290 -11.693 -0.526 1.00 10.00 N ATOM 198 CA GLU A 33 -4.956 -11.551 0.031 1.00 10.00 C ATOM 199 C GLU A 33 -3.989 -11.086 -1.048 1.00 10.00 C ATOM 200 O GLU A 33 -3.524 -11.876 -1.869 1.00 10.00 O ATOM 201 CB GLU A 33 -4.484 -12.865 0.651 1.00 10.00 C ATOM 202 CG GLU A 33 -5.094 -13.136 2.017 1.00 10.00 C ATOM 203 CD GLU A 33 -4.725 -14.498 2.562 1.00 10.00 C ATOM 204 OE1 GLU A 33 -3.531 -14.727 2.847 1.00 10.00 O ATOM 205 OE2 GLU A 33 -5.627 -15.349 2.711 1.00 10.00 O ATOM 0 H GLU A 33 -6.423 -12.524 -1.103 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.986 -10.801 0.821 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -4.734 -13.686 -0.021 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -3.398 -12.847 0.742 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -4.764 -12.368 2.716 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -6.179 -13.059 1.947 1.00 10.00 H new ATOM 212 N ILE A 34 -3.718 -9.791 -1.055 1.00 10.00 N ATOM 213 CA ILE A 34 -2.819 -9.203 -2.033 1.00 10.00 C ATOM 214 C ILE A 34 -1.402 -9.112 -1.478 1.00 10.00 C ATOM 215 O ILE A 34 -1.189 -8.634 -0.361 1.00 10.00 O ATOM 216 CB ILE A 34 -3.296 -7.795 -2.462 1.00 10.00 C ATOM 217 CG1 ILE A 34 -4.770 -7.829 -2.896 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.422 -7.252 -3.585 1.00 10.00 C ATOM 219 CD1 ILE A 34 -5.047 -8.759 -4.064 1.00 10.00 C ATOM 0 H ILE A 34 -4.110 -9.124 -0.390 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.822 -9.853 -2.908 1.00 10.00 H new ATOM 0 HB ILE A 34 -3.207 -7.129 -1.603 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -5.381 -8.136 -2.047 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -5.082 -6.820 -3.166 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.773 -6.261 -3.873 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.389 -7.186 -3.243 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.477 -7.920 -4.444 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -6.108 -8.727 -4.310 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -4.464 -8.441 -4.928 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -4.768 -9.777 -3.793 1.00 10.00 H new ATOM 231 N HIS A 35 -0.446 -9.591 -2.252 1.00 10.00 N ATOM 232 CA HIS A 35 0.951 -9.564 -1.856 1.00 10.00 C ATOM 233 C HIS A 35 1.648 -8.371 -2.495 1.00 10.00 C ATOM 234 O HIS A 35 1.938 -8.373 -3.694 1.00 10.00 O ATOM 235 CB HIS A 35 1.654 -10.855 -2.270 1.00 10.00 C ATOM 236 CG HIS A 35 1.070 -12.090 -1.662 1.00 10.00 C ATOM 237 ND1 HIS A 35 0.548 -13.096 -2.441 1.00 10.00 N ATOM 238 CD2 HIS A 35 0.953 -12.434 -0.357 1.00 10.00 C ATOM 239 CE1 HIS A 35 0.129 -14.022 -1.596 1.00 10.00 C ATOM 240 NE2 HIS A 35 0.353 -13.663 -0.326 1.00 10.00 N ATOM 0 H HIS A 35 -0.614 -10.008 -3.168 1.00 10.00 H new ATOM 0 HA HIS A 35 1.000 -9.474 -0.771 1.00 10.00 H new ATOM 0 HB2 HIS A 35 1.616 -10.945 -3.356 1.00 10.00 H new ATOM 0 HB3 HIS A 35 2.706 -10.789 -1.992 1.00 10.00 H new ATOM 0 HD2 HIS A 35 1.272 -11.851 0.494 1.00 10.00 H new ATOM 0 HE1 HIS A 35 -0.335 -14.951 -1.893 1.00 10.00 H new ATOM 0 HE2 HIS A 35 0.120 -14.204 0.507 1.00 10.00 H new ATOM 248 N PHE A 36 1.897 -7.352 -1.697 1.00 10.00 N ATOM 249 CA PHE A 36 2.553 -6.156 -2.187 1.00 10.00 C ATOM 250 C PHE A 36 4.007 -6.135 -1.734 1.00 10.00 C ATOM 251 O PHE A 36 4.292 -6.190 -0.538 1.00 10.00 O ATOM 252 CB PHE A 36 1.813 -4.909 -1.692 1.00 10.00 C ATOM 253 CG PHE A 36 1.831 -3.764 -2.664 1.00 10.00 C ATOM 254 CD1 PHE A 36 3.019 -3.342 -3.233 1.00 10.00 C ATOM 255 CD2 PHE A 36 0.659 -3.108 -3.005 1.00 10.00 C ATOM 256 CE1 PHE A 36 3.040 -2.291 -4.124 1.00 10.00 C ATOM 257 CE2 PHE A 36 0.676 -2.053 -3.900 1.00 10.00 C ATOM 258 CZ PHE A 36 1.867 -1.644 -4.459 1.00 10.00 C ATOM 0 H PHE A 36 1.655 -7.328 -0.706 1.00 10.00 H new ATOM 0 HA PHE A 36 2.531 -6.159 -3.277 1.00 10.00 H new ATOM 0 HB2 PHE A 36 0.778 -5.174 -1.477 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.260 -4.582 -0.753 1.00 10.00 H new ATOM 0 HD1 PHE A 36 3.941 -3.842 -2.976 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -0.277 -3.423 -2.568 1.00 10.00 H new ATOM 0 HE1 PHE A 36 3.975 -1.973 -4.561 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -0.244 -1.550 -4.160 1.00 10.00 H new ATOM 0 HZ PHE A 36 1.883 -0.820 -5.157 1.00 10.00 H new ATOM 268 N LYS A 37 4.917 -6.085 -2.695 1.00 10.00 N ATOM 269 CA LYS A 37 6.341 -6.051 -2.399 1.00 10.00 C ATOM 270 C LYS A 37 6.929 -4.712 -2.826 1.00 10.00 C ATOM 271 O LYS A 37 6.962 -4.379 -4.014 1.00 10.00 O ATOM 272 CB LYS A 37 7.068 -7.216 -3.083 1.00 10.00 C ATOM 273 CG LYS A 37 6.582 -7.508 -4.496 1.00 10.00 C ATOM 274 CD LYS A 37 6.831 -8.955 -4.888 1.00 10.00 C ATOM 275 CE LYS A 37 8.313 -9.264 -5.011 1.00 10.00 C ATOM 276 NZ LYS A 37 8.548 -10.636 -5.527 1.00 10.00 N ATOM 0 H LYS A 37 4.693 -6.067 -3.690 1.00 10.00 H new ATOM 0 HA LYS A 37 6.479 -6.162 -1.323 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.135 -6.995 -3.116 1.00 10.00 H new ATOM 0 HB3 LYS A 37 6.946 -8.113 -2.476 1.00 10.00 H new ATOM 0 HG2 LYS A 37 5.516 -7.290 -4.567 1.00 10.00 H new ATOM 0 HG3 LYS A 37 7.090 -6.848 -5.199 1.00 10.00 H new ATOM 0 HD2 LYS A 37 6.384 -9.614 -4.144 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.337 -9.164 -5.837 1.00 10.00 H new ATOM 0 HE2 LYS A 37 8.781 -8.540 -5.677 1.00 10.00 H new ATOM 0 HE3 LYS A 37 8.789 -9.155 -4.037 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 9.571 -10.810 -5.597 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 8.123 -11.329 -4.878 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 8.115 -10.732 -6.468 1.00 10.00 H new ATOM 290 N VAL A 38 7.380 -3.949 -1.844 1.00 10.00 N ATOM 291 CA VAL A 38 7.952 -2.632 -2.087 1.00 10.00 C ATOM 292 C VAL A 38 9.430 -2.610 -1.715 1.00 10.00 C ATOM 293 O VAL A 38 9.981 -3.623 -1.290 1.00 10.00 O ATOM 294 CB VAL A 38 7.210 -1.548 -1.266 1.00 10.00 C ATOM 295 CG1 VAL A 38 5.706 -1.654 -1.466 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.553 -1.658 0.214 1.00 10.00 C ATOM 0 H VAL A 38 7.361 -4.221 -0.861 1.00 10.00 H new ATOM 0 HA VAL A 38 7.841 -2.417 -3.150 1.00 10.00 H new ATOM 0 HB VAL A 38 7.540 -0.573 -1.625 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.206 -0.883 -0.880 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.469 -1.519 -2.521 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.364 -2.636 -1.140 1.00 10.00 H new ATOM 0 HG21 VAL A 38 7.020 -0.886 0.769 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.258 -2.640 0.584 1.00 10.00 H new ATOM 0 HG23 VAL A 38 8.626 -1.526 0.349 1.00 10.00 H new ATOM 306 N LYS A 39 10.069 -1.462 -1.874 1.00 10.00 N ATOM 307 CA LYS A 39 11.470 -1.320 -1.515 1.00 10.00 C ATOM 308 C LYS A 39 11.634 -0.119 -0.607 1.00 10.00 C ATOM 309 O LYS A 39 10.755 0.739 -0.540 1.00 10.00 O ATOM 310 CB LYS A 39 12.365 -1.167 -2.750 1.00 10.00 C ATOM 311 CG LYS A 39 12.812 -2.487 -3.350 1.00 10.00 C ATOM 312 CD LYS A 39 13.381 -2.303 -4.750 1.00 10.00 C ATOM 313 CE LYS A 39 14.693 -1.534 -4.742 1.00 10.00 C ATOM 314 NZ LYS A 39 15.225 -1.345 -6.115 1.00 10.00 N ATOM 0 H LYS A 39 9.640 -0.616 -2.249 1.00 10.00 H new ATOM 0 HA LYS A 39 11.780 -2.228 -0.998 1.00 10.00 H new ATOM 0 HB2 LYS A 39 11.828 -0.597 -3.508 1.00 10.00 H new ATOM 0 HB3 LYS A 39 13.246 -0.585 -2.479 1.00 10.00 H new ATOM 0 HG2 LYS A 39 13.566 -2.943 -2.708 1.00 10.00 H new ATOM 0 HG3 LYS A 39 11.967 -3.175 -3.388 1.00 10.00 H new ATOM 0 HD2 LYS A 39 13.537 -3.280 -5.208 1.00 10.00 H new ATOM 0 HD3 LYS A 39 12.656 -1.774 -5.368 1.00 10.00 H new ATOM 0 HE2 LYS A 39 14.543 -0.562 -4.273 1.00 10.00 H new ATOM 0 HE3 LYS A 39 15.425 -2.070 -4.138 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 16.120 -0.817 -6.071 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 15.392 -2.273 -6.553 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 14.536 -0.812 -6.684 1.00 10.00 H new ATOM 328 N MET A 40 12.758 -0.055 0.082 1.00 10.00 N ATOM 329 CA MET A 40 13.029 1.044 0.996 1.00 10.00 C ATOM 330 C MET A 40 13.257 2.351 0.240 1.00 10.00 C ATOM 331 O MET A 40 13.140 3.435 0.809 1.00 10.00 O ATOM 332 CB MET A 40 14.245 0.711 1.857 1.00 10.00 C ATOM 333 CG MET A 40 14.249 1.410 3.207 1.00 10.00 C ATOM 334 SD MET A 40 12.741 1.111 4.157 1.00 10.00 S ATOM 335 CE MET A 40 12.738 -0.679 4.249 1.00 10.00 C ATOM 0 H MET A 40 13.501 -0.752 0.027 1.00 10.00 H new ATOM 0 HA MET A 40 12.158 1.179 1.637 1.00 10.00 H new ATOM 0 HB2 MET A 40 14.282 -0.367 2.016 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.149 0.985 1.314 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.109 1.071 3.784 1.00 10.00 H new ATOM 0 HG3 MET A 40 14.370 2.483 3.055 1.00 10.00 H new ATOM 0 HE1 MET A 40 12.021 -1.003 5.003 1.00 10.00 H new ATOM 0 HE2 MET A 40 12.458 -1.093 3.280 1.00 10.00 H new ATOM 0 HE3 MET A 40 13.733 -1.031 4.520 1.00 10.00 H new ATOM 345 N THR A 41 13.577 2.243 -1.044 1.00 10.00 N ATOM 346 CA THR A 41 13.821 3.419 -1.867 1.00 10.00 C ATOM 347 C THR A 41 12.540 3.928 -2.525 1.00 10.00 C ATOM 348 O THR A 41 12.457 5.096 -2.904 1.00 10.00 O ATOM 349 CB THR A 41 14.865 3.124 -2.970 1.00 10.00 C ATOM 350 OG1 THR A 41 15.466 4.347 -3.427 1.00 10.00 O ATOM 351 CG2 THR A 41 14.230 2.393 -4.149 1.00 10.00 C ATOM 0 H THR A 41 13.673 1.355 -1.536 1.00 10.00 H new ATOM 0 HA THR A 41 14.205 4.189 -1.197 1.00 10.00 H new ATOM 0 HB THR A 41 15.633 2.482 -2.539 1.00 10.00 H new ATOM 0 HG1 THR A 41 16.126 4.147 -4.124 1.00 10.00 H new ATOM 0 HG21 THR A 41 14.988 2.199 -4.908 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.809 1.447 -3.807 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.438 3.009 -4.576 1.00 10.00 H new ATOM 359 N THR A 42 11.541 3.066 -2.652 1.00 10.00 N ATOM 360 CA THR A 42 10.309 3.465 -3.307 1.00 10.00 C ATOM 361 C THR A 42 9.494 4.398 -2.422 1.00 10.00 C ATOM 362 O THR A 42 9.337 4.152 -1.222 1.00 10.00 O ATOM 363 CB THR A 42 9.449 2.252 -3.729 1.00 10.00 C ATOM 364 OG1 THR A 42 8.879 1.619 -2.577 1.00 10.00 O ATOM 365 CG2 THR A 42 10.273 1.231 -4.491 1.00 10.00 C ATOM 0 H THR A 42 11.559 2.103 -2.316 1.00 10.00 H new ATOM 0 HA THR A 42 10.598 3.998 -4.213 1.00 10.00 H new ATOM 0 HB THR A 42 8.657 2.625 -4.378 1.00 10.00 H new ATOM 0 HG1 THR A 42 9.594 1.362 -1.958 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.640 0.390 -4.774 1.00 10.00 H new ATOM 0 HG22 THR A 42 10.685 1.693 -5.388 1.00 10.00 H new ATOM 0 HG23 THR A 42 11.087 0.876 -3.859 1.00 10.00 H new ATOM 373 N HIS A 43 8.984 5.466 -3.018 1.00 10.00 N ATOM 374 CA HIS A 43 8.187 6.439 -2.293 1.00 10.00 C ATOM 375 C HIS A 43 6.763 5.925 -2.190 1.00 10.00 C ATOM 376 O HIS A 43 6.220 5.406 -3.169 1.00 10.00 O ATOM 377 CB HIS A 43 8.175 7.798 -3.009 1.00 10.00 C ATOM 378 CG HIS A 43 9.521 8.351 -3.373 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.617 9.468 -4.165 1.00 10.00 N ATOM 380 CD2 HIS A 43 10.773 7.932 -3.048 1.00 10.00 C ATOM 381 CE1 HIS A 43 10.905 9.701 -4.302 1.00 10.00 C ATOM 382 NE2 HIS A 43 11.637 8.801 -3.640 1.00 10.00 N ATOM 0 H HIS A 43 9.110 5.679 -4.007 1.00 10.00 H new ATOM 0 HA HIS A 43 8.625 6.576 -1.304 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.583 7.704 -3.919 1.00 10.00 H new ATOM 0 HB3 HIS A 43 7.666 8.520 -2.371 1.00 10.00 H new ATOM 0 HD2 HIS A 43 11.031 7.078 -2.440 1.00 10.00 H new ATOM 0 HE1 HIS A 43 11.318 10.517 -4.877 1.00 10.00 H new ATOM 0 HE2 HIS A 43 12.655 8.771 -3.588 1.00 10.00 H new ATOM 390 N LEU A 44 6.146 6.082 -1.023 1.00 10.00 N ATOM 391 CA LEU A 44 4.780 5.609 -0.820 1.00 10.00 C ATOM 392 C LEU A 44 3.801 6.325 -1.746 1.00 10.00 C ATOM 393 O LEU A 44 2.672 5.872 -1.940 1.00 10.00 O ATOM 394 CB LEU A 44 4.361 5.753 0.645 1.00 10.00 C ATOM 395 CG LEU A 44 4.767 4.578 1.543 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.631 4.944 3.009 1.00 10.00 C ATOM 397 CD2 LEU A 44 3.927 3.350 1.222 1.00 10.00 C ATOM 0 H LEU A 44 6.566 6.530 -0.208 1.00 10.00 H new ATOM 0 HA LEU A 44 4.756 4.549 -1.072 1.00 10.00 H new ATOM 0 HB2 LEU A 44 4.798 6.668 1.046 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.278 5.870 0.690 1.00 10.00 H new ATOM 0 HG LEU A 44 5.814 4.346 1.347 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.925 4.094 3.625 1.00 10.00 H new ATOM 0 HD12 LEU A 44 5.275 5.794 3.233 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.595 5.207 3.224 1.00 10.00 H new ATOM 0 HD21 LEU A 44 4.227 2.525 1.868 1.00 10.00 H new ATOM 0 HD22 LEU A 44 2.874 3.576 1.388 1.00 10.00 H new ATOM 0 HD23 LEU A 44 4.078 3.068 0.180 1.00 10.00 H new ATOM 409 N LYS A 45 4.249 7.432 -2.323 1.00 10.00 N ATOM 410 CA LYS A 45 3.444 8.203 -3.258 1.00 10.00 C ATOM 411 C LYS A 45 3.070 7.344 -4.465 1.00 10.00 C ATOM 412 O LYS A 45 1.905 7.282 -4.863 1.00 10.00 O ATOM 413 CB LYS A 45 4.222 9.445 -3.712 1.00 10.00 C ATOM 414 CG LYS A 45 3.557 10.228 -4.838 1.00 10.00 C ATOM 415 CD LYS A 45 2.342 10.998 -4.351 1.00 10.00 C ATOM 416 CE LYS A 45 1.470 11.441 -5.512 1.00 10.00 C ATOM 417 NZ LYS A 45 0.474 12.468 -5.108 1.00 10.00 N ATOM 0 H LYS A 45 5.178 7.819 -2.156 1.00 10.00 H new ATOM 0 HA LYS A 45 2.528 8.520 -2.760 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.357 10.107 -2.856 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.216 9.137 -4.037 1.00 10.00 H new ATOM 0 HG2 LYS A 45 4.277 10.922 -5.272 1.00 10.00 H new ATOM 0 HG3 LYS A 45 3.258 9.542 -5.630 1.00 10.00 H new ATOM 0 HD2 LYS A 45 1.760 10.373 -3.674 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.665 11.870 -3.782 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.101 11.842 -6.305 1.00 10.00 H new ATOM 0 HE3 LYS A 45 0.950 10.576 -5.924 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -0.381 12.371 -5.692 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 0.227 12.337 -4.106 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 0.879 13.416 -5.243 1.00 10.00 H new ATOM 431 N LYS A 46 4.066 6.661 -5.023 1.00 10.00 N ATOM 432 CA LYS A 46 3.855 5.807 -6.185 1.00 10.00 C ATOM 433 C LYS A 46 3.162 4.512 -5.775 1.00 10.00 C ATOM 434 O LYS A 46 2.467 3.887 -6.578 1.00 10.00 O ATOM 435 CB LYS A 46 5.190 5.508 -6.878 1.00 10.00 C ATOM 436 CG LYS A 46 5.052 5.131 -8.349 1.00 10.00 C ATOM 437 CD LYS A 46 6.406 5.106 -9.050 1.00 10.00 C ATOM 438 CE LYS A 46 6.765 6.469 -9.619 1.00 10.00 C ATOM 439 NZ LYS A 46 8.189 6.535 -10.034 1.00 10.00 N ATOM 0 H LYS A 46 5.029 6.684 -4.687 1.00 10.00 H new ATOM 0 HA LYS A 46 3.211 6.333 -6.890 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.834 6.383 -6.796 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.688 4.695 -6.350 1.00 10.00 H new ATOM 0 HG2 LYS A 46 4.580 4.152 -8.432 1.00 10.00 H new ATOM 0 HG3 LYS A 46 4.396 5.844 -8.848 1.00 10.00 H new ATOM 0 HD2 LYS A 46 7.176 4.791 -8.345 1.00 10.00 H new ATOM 0 HD3 LYS A 46 6.387 4.369 -9.853 1.00 10.00 H new ATOM 0 HE2 LYS A 46 6.126 6.685 -10.475 1.00 10.00 H new ATOM 0 HE3 LYS A 46 6.568 7.238 -8.872 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 8.396 7.480 -10.417 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 8.799 6.354 -9.211 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 8.371 5.818 -10.765 1.00 10.00 H new ATOM 453 N LEU A 47 3.352 4.116 -4.520 1.00 10.00 N ATOM 454 CA LEU A 47 2.730 2.902 -3.997 1.00 10.00 C ATOM 455 C LEU A 47 1.213 3.051 -3.985 1.00 10.00 C ATOM 456 O LEU A 47 0.483 2.163 -4.430 1.00 10.00 O ATOM 457 CB LEU A 47 3.221 2.598 -2.571 1.00 10.00 C ATOM 458 CG LEU A 47 4.470 1.713 -2.452 1.00 10.00 C ATOM 459 CD1 LEU A 47 4.681 0.892 -3.704 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.703 2.546 -2.160 1.00 10.00 C ATOM 0 H LEU A 47 3.931 4.617 -3.846 1.00 10.00 H new ATOM 0 HA LEU A 47 3.013 2.076 -4.649 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.425 3.545 -2.071 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.409 2.118 -2.025 1.00 10.00 H new ATOM 0 HG LEU A 47 4.307 1.031 -1.618 1.00 10.00 H new ATOM 0 HD11 LEU A 47 5.573 0.276 -3.589 1.00 10.00 H new ATOM 0 HD12 LEU A 47 3.815 0.250 -3.868 1.00 10.00 H new ATOM 0 HD13 LEU A 47 4.807 1.557 -4.558 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.573 1.894 -2.081 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.858 3.261 -2.968 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.566 3.083 -1.221 1.00 10.00 H new ATOM 472 N LYS A 48 0.756 4.197 -3.495 1.00 10.00 N ATOM 473 CA LYS A 48 -0.667 4.485 -3.397 1.00 10.00 C ATOM 474 C LYS A 48 -1.349 4.455 -4.763 1.00 10.00 C ATOM 475 O LYS A 48 -2.393 3.821 -4.924 1.00 10.00 O ATOM 476 CB LYS A 48 -0.884 5.845 -2.734 1.00 10.00 C ATOM 477 CG LYS A 48 -0.341 5.919 -1.317 1.00 10.00 C ATOM 478 CD LYS A 48 -0.611 7.269 -0.677 1.00 10.00 C ATOM 479 CE LYS A 48 -2.084 7.451 -0.359 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.351 8.746 0.313 1.00 10.00 N ATOM 0 H LYS A 48 1.358 4.948 -3.157 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.119 3.705 -2.784 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.407 6.616 -3.339 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -1.951 6.067 -2.718 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -0.795 5.134 -0.713 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.733 5.731 -1.329 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.026 7.362 0.238 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.282 8.063 -1.348 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.664 7.394 -1.280 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.421 6.635 0.280 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.320 9.055 0.098 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -2.244 8.632 1.341 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -1.676 9.460 -0.028 1.00 10.00 H new ATOM 494 N GLU A 49 -0.758 5.124 -5.749 1.00 10.00 N ATOM 495 CA GLU A 49 -1.344 5.164 -7.085 1.00 10.00 C ATOM 496 C GLU A 49 -1.291 3.794 -7.757 1.00 10.00 C ATOM 497 O GLU A 49 -2.245 3.392 -8.419 1.00 10.00 O ATOM 498 CB GLU A 49 -0.663 6.220 -7.966 1.00 10.00 C ATOM 499 CG GLU A 49 0.855 6.182 -7.926 1.00 10.00 C ATOM 500 CD GLU A 49 1.484 6.625 -9.229 1.00 10.00 C ATOM 501 OE1 GLU A 49 2.045 5.770 -9.942 1.00 10.00 O ATOM 502 OE2 GLU A 49 1.413 7.830 -9.552 1.00 10.00 O ATOM 0 H GLU A 49 0.116 5.640 -5.650 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.391 5.445 -6.968 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -0.991 6.083 -8.996 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.999 7.209 -7.653 1.00 10.00 H new ATOM 0 HG2 GLU A 49 1.209 6.824 -7.119 1.00 10.00 H new ATOM 0 HG3 GLU A 49 1.183 5.169 -7.695 1.00 10.00 H new ATOM 509 N SER A 50 -0.196 3.069 -7.558 1.00 10.00 N ATOM 510 CA SER A 50 -0.031 1.749 -8.161 1.00 10.00 C ATOM 511 C SER A 50 -1.116 0.781 -7.698 1.00 10.00 C ATOM 512 O SER A 50 -1.585 -0.052 -8.478 1.00 10.00 O ATOM 513 CB SER A 50 1.354 1.189 -7.842 1.00 10.00 C ATOM 514 OG SER A 50 2.357 1.932 -8.514 1.00 10.00 O ATOM 0 H SER A 50 0.591 3.372 -6.984 1.00 10.00 H new ATOM 0 HA SER A 50 -0.127 1.862 -9.241 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.527 1.223 -6.766 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.407 0.142 -8.141 1.00 10.00 H new ATOM 0 HG SER A 50 2.580 2.729 -7.990 1.00 10.00 H new ATOM 520 N TYR A 51 -1.521 0.893 -6.436 1.00 10.00 N ATOM 521 CA TYR A 51 -2.565 0.029 -5.901 1.00 10.00 C ATOM 522 C TYR A 51 -3.882 0.324 -6.608 1.00 10.00 C ATOM 523 O TYR A 51 -4.600 -0.589 -7.012 1.00 10.00 O ATOM 524 CB TYR A 51 -2.722 0.235 -4.393 1.00 10.00 C ATOM 525 CG TYR A 51 -3.534 -0.846 -3.705 1.00 10.00 C ATOM 526 CD1 TYR A 51 -2.914 -1.945 -3.127 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.921 -0.765 -3.633 1.00 10.00 C ATOM 528 CE1 TYR A 51 -3.649 -2.932 -2.499 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.661 -1.748 -3.006 1.00 10.00 C ATOM 530 CZ TYR A 51 -5.021 -2.829 -2.440 1.00 10.00 C ATOM 531 OH TYR A 51 -5.753 -3.811 -1.814 1.00 10.00 O ATOM 0 H TYR A 51 -1.145 1.568 -5.771 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.283 -1.009 -6.075 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.733 0.278 -3.937 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -3.197 1.200 -4.216 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -1.838 -2.030 -3.169 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -5.427 0.081 -4.075 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -3.150 -3.781 -2.056 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.737 -1.670 -2.959 1.00 10.00 H new ATOM 0 HH TYR A 51 -6.706 -3.587 -1.859 1.00 10.00 H new ATOM 541 N CYS A 52 -4.174 1.611 -6.775 1.00 10.00 N ATOM 542 CA CYS A 52 -5.395 2.042 -7.444 1.00 10.00 C ATOM 543 C CYS A 52 -5.384 1.585 -8.898 1.00 10.00 C ATOM 544 O CYS A 52 -6.400 1.138 -9.431 1.00 10.00 O ATOM 545 CB CYS A 52 -5.525 3.565 -7.373 1.00 10.00 C ATOM 546 SG CYS A 52 -5.223 4.254 -5.730 1.00 10.00 S ATOM 0 H CYS A 52 -3.579 2.375 -6.455 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.250 1.592 -6.939 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.824 4.012 -8.078 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.526 3.849 -7.696 1.00 10.00 H new ATOM 0 HG CYS A 52 -3.945 4.421 -5.558 1.00 10.00 H new ATOM 552 N GLN A 53 -4.214 1.683 -9.522 1.00 10.00 N ATOM 553 CA GLN A 53 -4.039 1.283 -10.913 1.00 10.00 C ATOM 554 C GLN A 53 -4.303 -0.211 -11.090 1.00 10.00 C ATOM 555 O GLN A 53 -4.850 -0.638 -12.107 1.00 10.00 O ATOM 556 CB GLN A 53 -2.623 1.625 -11.386 1.00 10.00 C ATOM 557 CG GLN A 53 -2.368 3.120 -11.505 1.00 10.00 C ATOM 558 CD GLN A 53 -0.925 3.448 -11.835 1.00 10.00 C ATOM 559 OE1 GLN A 53 0.000 2.751 -11.413 1.00 10.00 O ATOM 560 NE2 GLN A 53 -0.719 4.503 -12.608 1.00 10.00 N ATOM 0 H GLN A 53 -3.366 2.039 -9.081 1.00 10.00 H new ATOM 0 HA GLN A 53 -4.761 1.832 -11.518 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -1.902 1.196 -10.690 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -2.449 1.156 -12.355 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -3.015 3.533 -12.278 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -2.641 3.606 -10.568 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -1.510 5.056 -12.938 1.00 10.00 H new ATOM 0 HE22 GLN A 53 0.231 4.763 -12.874 1.00 10.00 H new ATOM 569 N ARG A 54 -3.921 -1.001 -10.093 1.00 10.00 N ATOM 570 CA ARG A 54 -4.117 -2.444 -10.145 1.00 10.00 C ATOM 571 C ARG A 54 -5.579 -2.811 -9.889 1.00 10.00 C ATOM 572 O ARG A 54 -6.090 -3.779 -10.447 1.00 10.00 O ATOM 573 CB ARG A 54 -3.210 -3.140 -9.128 1.00 10.00 C ATOM 574 CG ARG A 54 -3.395 -4.648 -9.076 1.00 10.00 C ATOM 575 CD ARG A 54 -2.077 -5.382 -9.233 1.00 10.00 C ATOM 576 NE ARG A 54 -2.234 -6.824 -9.056 1.00 10.00 N ATOM 577 CZ ARG A 54 -1.275 -7.714 -9.315 1.00 10.00 C ATOM 578 NH1 ARG A 54 -0.090 -7.314 -9.759 1.00 10.00 N ATOM 579 NH2 ARG A 54 -1.504 -9.010 -9.128 1.00 10.00 N ATOM 0 H ARG A 54 -3.474 -0.666 -9.239 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.853 -2.785 -11.146 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.171 -2.918 -9.370 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.402 -2.725 -8.139 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -3.855 -4.925 -8.128 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -4.080 -4.958 -9.865 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -1.664 -5.180 -10.221 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.361 -5.002 -8.505 1.00 10.00 H new ATOM 0 HE ARG A 54 -3.130 -7.171 -8.714 1.00 10.00 H new ATOM 0 HH11 ARG A 54 0.092 -6.321 -9.904 1.00 10.00 H new ATOM 0 HH12 ARG A 54 0.639 -8.000 -9.955 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -2.413 -9.323 -8.787 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -0.771 -9.691 -9.326 1.00 10.00 H new ATOM 593 N GLN A 55 -6.246 -2.031 -9.048 1.00 10.00 N ATOM 594 CA GLN A 55 -7.646 -2.282 -8.728 1.00 10.00 C ATOM 595 C GLN A 55 -8.559 -1.778 -9.842 1.00 10.00 C ATOM 596 O GLN A 55 -9.706 -2.213 -9.965 1.00 10.00 O ATOM 597 CB GLN A 55 -8.019 -1.610 -7.402 1.00 10.00 C ATOM 598 CG GLN A 55 -7.379 -2.262 -6.187 1.00 10.00 C ATOM 599 CD GLN A 55 -7.725 -3.731 -6.059 1.00 10.00 C ATOM 600 OE1 GLN A 55 -7.028 -4.592 -6.592 1.00 10.00 O ATOM 601 NE2 GLN A 55 -8.798 -4.025 -5.346 1.00 10.00 N ATOM 0 H GLN A 55 -5.842 -1.222 -8.576 1.00 10.00 H new ATOM 0 HA GLN A 55 -7.782 -3.359 -8.631 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -7.722 -0.562 -7.440 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.103 -1.631 -7.286 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -6.296 -2.153 -6.250 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.701 -1.738 -5.287 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -9.348 -3.279 -4.921 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -9.076 -4.998 -5.221 1.00 10.00 H new ATOM 610 N GLY A 56 -8.042 -0.857 -10.648 1.00 10.00 N ATOM 611 CA GLY A 56 -8.819 -0.305 -11.741 1.00 10.00 C ATOM 612 C GLY A 56 -9.657 0.878 -11.302 1.00 10.00 C ATOM 613 O GLY A 56 -10.734 1.124 -11.843 1.00 10.00 O ATOM 0 H GLY A 56 -7.097 -0.483 -10.563 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.148 0.004 -12.543 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.470 -1.078 -12.150 1.00 10.00 H new ATOM 617 N VAL A 57 -9.157 1.615 -10.322 1.00 10.00 N ATOM 618 CA VAL A 57 -9.859 2.776 -9.797 1.00 10.00 C ATOM 619 C VAL A 57 -8.942 3.997 -9.775 1.00 10.00 C ATOM 620 O VAL A 57 -7.718 3.857 -9.843 1.00 10.00 O ATOM 621 CB VAL A 57 -10.393 2.511 -8.369 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.630 1.627 -8.412 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.317 1.882 -7.497 1.00 10.00 C ATOM 0 H VAL A 57 -8.261 1.428 -9.872 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.704 2.970 -10.457 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.671 3.469 -7.929 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -11.989 1.453 -7.397 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.409 2.120 -8.993 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.380 0.673 -8.876 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.716 1.705 -6.498 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -9.001 0.935 -7.935 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.462 2.555 -7.432 1.00 10.00 H new ATOM 633 N PRO A 58 -9.518 5.210 -9.715 1.00 10.00 N ATOM 634 CA PRO A 58 -8.737 6.450 -9.669 1.00 10.00 C ATOM 635 C PRO A 58 -8.039 6.630 -8.321 1.00 10.00 C ATOM 636 O PRO A 58 -8.262 5.856 -7.386 1.00 10.00 O ATOM 637 CB PRO A 58 -9.791 7.543 -9.875 1.00 10.00 C ATOM 638 CG PRO A 58 -11.063 6.940 -9.398 1.00 10.00 C ATOM 639 CD PRO A 58 -10.972 5.474 -9.713 1.00 10.00 C ATOM 0 HA PRO A 58 -7.942 6.465 -10.414 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.544 8.442 -9.311 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -9.860 7.833 -10.923 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.194 7.101 -8.328 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -11.920 7.393 -9.896 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.488 4.870 -8.966 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.423 5.242 -10.678 1.00 10.00 H new ATOM 647 N MET A 59 -7.202 7.651 -8.216 1.00 10.00 N ATOM 648 CA MET A 59 -6.485 7.913 -6.975 1.00 10.00 C ATOM 649 C MET A 59 -7.401 8.606 -5.971 1.00 10.00 C ATOM 650 O MET A 59 -8.409 9.203 -6.356 1.00 10.00 O ATOM 651 CB MET A 59 -5.245 8.773 -7.240 1.00 10.00 C ATOM 652 CG MET A 59 -4.188 8.664 -6.150 1.00 10.00 C ATOM 653 SD MET A 59 -2.915 9.934 -6.273 1.00 10.00 S ATOM 654 CE MET A 59 -1.827 9.449 -4.934 1.00 10.00 C ATOM 0 H MET A 59 -7.002 8.309 -8.970 1.00 10.00 H new ATOM 0 HA MET A 59 -6.162 6.960 -6.557 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.805 8.479 -8.193 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.549 9.815 -7.338 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.671 8.735 -5.175 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.719 7.681 -6.203 1.00 10.00 H new ATOM 0 HE1 MET A 59 -1.056 10.207 -4.799 1.00 10.00 H new ATOM 0 HE2 MET A 59 -2.404 9.350 -4.014 1.00 10.00 H new ATOM 0 HE3 MET A 59 -1.359 8.494 -5.173 1.00 10.00 H new ATOM 664 N ASN A 60 -7.054 8.495 -4.689 1.00 10.00 N ATOM 665 CA ASN A 60 -7.822 9.104 -3.600 1.00 10.00 C ATOM 666 C ASN A 60 -9.172 8.403 -3.445 1.00 10.00 C ATOM 667 O ASN A 60 -10.136 8.973 -2.937 1.00 10.00 O ATOM 668 CB ASN A 60 -8.005 10.613 -3.834 1.00 10.00 C ATOM 669 CG ASN A 60 -8.348 11.378 -2.567 1.00 10.00 C ATOM 670 OD1 ASN A 60 -7.504 11.564 -1.690 1.00 10.00 O ATOM 671 ND2 ASN A 60 -9.583 11.846 -2.468 1.00 10.00 N ATOM 0 H ASN A 60 -6.232 7.980 -4.374 1.00 10.00 H new ATOM 0 HA ASN A 60 -7.264 8.979 -2.672 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -7.089 11.022 -4.261 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -8.795 10.767 -4.569 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -9.861 12.380 -1.645 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -10.256 11.672 -3.215 1.00 10.00 H new ATOM 678 N SER A 61 -9.227 7.153 -3.881 1.00 10.00 N ATOM 679 CA SER A 61 -10.447 6.366 -3.791 1.00 10.00 C ATOM 680 C SER A 61 -10.318 5.308 -2.700 1.00 10.00 C ATOM 681 O SER A 61 -11.315 4.769 -2.212 1.00 10.00 O ATOM 682 CB SER A 61 -10.748 5.704 -5.137 1.00 10.00 C ATOM 683 OG SER A 61 -9.761 4.743 -5.470 1.00 10.00 O ATOM 0 H SER A 61 -8.438 6.661 -4.302 1.00 10.00 H new ATOM 0 HA SER A 61 -11.272 7.031 -3.534 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.726 5.225 -5.099 1.00 10.00 H new ATOM 0 HB3 SER A 61 -10.796 6.465 -5.916 1.00 10.00 H new ATOM 0 HG SER A 61 -9.032 5.179 -5.958 1.00 10.00 H new ATOM 689 N LEU A 62 -9.083 5.017 -2.323 1.00 10.00 N ATOM 690 CA LEU A 62 -8.801 4.022 -1.301 1.00 10.00 C ATOM 691 C LEU A 62 -7.833 4.585 -0.272 1.00 10.00 C ATOM 692 O LEU A 62 -6.802 5.160 -0.628 1.00 10.00 O ATOM 693 CB LEU A 62 -8.208 2.762 -1.936 1.00 10.00 C ATOM 694 CG LEU A 62 -9.131 2.017 -2.900 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.338 1.036 -3.749 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.225 1.287 -2.135 1.00 10.00 C ATOM 0 H LEU A 62 -8.252 5.461 -2.714 1.00 10.00 H new ATOM 0 HA LEU A 62 -9.736 3.762 -0.804 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.299 3.038 -2.471 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -7.914 2.078 -1.140 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.597 2.749 -3.560 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -9.012 0.515 -4.429 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -7.588 1.577 -4.326 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -7.844 0.311 -3.102 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -10.872 0.762 -2.838 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -9.773 0.568 -1.451 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -10.814 2.007 -1.567 1.00 10.00 H new ATOM 708 N ARG A 63 -8.165 4.427 0.997 1.00 10.00 N ATOM 709 CA ARG A 63 -7.312 4.917 2.065 1.00 10.00 C ATOM 710 C ARG A 63 -6.589 3.761 2.740 1.00 10.00 C ATOM 711 O ARG A 63 -7.203 2.766 3.137 1.00 10.00 O ATOM 712 CB ARG A 63 -8.109 5.728 3.094 1.00 10.00 C ATOM 713 CG ARG A 63 -9.231 4.963 3.778 1.00 10.00 C ATOM 714 CD ARG A 63 -9.808 5.762 4.934 1.00 10.00 C ATOM 715 NE ARG A 63 -10.981 5.120 5.526 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.238 5.492 5.285 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.492 6.509 4.463 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.240 4.855 5.880 1.00 10.00 N ATOM 0 H ARG A 63 -9.017 3.964 1.313 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.572 5.583 1.621 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.422 6.097 3.856 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.533 6.601 2.598 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.017 4.741 3.056 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -8.855 4.008 4.144 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.043 5.892 5.700 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.080 6.758 4.584 1.00 10.00 H new ATOM 0 HE ARG A 63 -10.828 4.339 6.163 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -11.723 7.007 4.015 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.456 6.790 4.282 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -13.046 4.084 6.519 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.203 5.137 5.698 1.00 10.00 H new ATOM 732 N PHE A 64 -5.279 3.899 2.848 1.00 10.00 N ATOM 733 CA PHE A 64 -4.448 2.883 3.468 1.00 10.00 C ATOM 734 C PHE A 64 -4.265 3.195 4.941 1.00 10.00 C ATOM 735 O PHE A 64 -3.721 4.240 5.302 1.00 10.00 O ATOM 736 CB PHE A 64 -3.094 2.810 2.762 1.00 10.00 C ATOM 737 CG PHE A 64 -3.215 2.552 1.288 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.314 3.606 0.390 1.00 10.00 C ATOM 739 CD2 PHE A 64 -3.244 1.256 0.800 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.439 3.370 -0.965 1.00 10.00 C ATOM 741 CE2 PHE A 64 -3.367 1.016 -0.553 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.465 2.074 -1.436 1.00 10.00 C ATOM 0 H PHE A 64 -4.765 4.713 2.511 1.00 10.00 H new ATOM 0 HA PHE A 64 -4.938 1.914 3.375 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.558 3.746 2.919 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.496 2.020 3.216 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.293 4.622 0.755 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -3.170 0.425 1.486 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.516 4.198 -1.654 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -3.387 0.001 -0.922 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.562 1.886 -2.495 1.00 10.00 H new ATOM 752 N LEU A 65 -4.735 2.296 5.783 1.00 10.00 N ATOM 753 CA LEU A 65 -4.640 2.474 7.215 1.00 10.00 C ATOM 754 C LEU A 65 -3.592 1.546 7.803 1.00 10.00 C ATOM 755 O LEU A 65 -3.654 0.325 7.635 1.00 10.00 O ATOM 756 CB LEU A 65 -5.994 2.220 7.877 1.00 10.00 C ATOM 757 CG LEU A 65 -7.106 3.198 7.489 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.420 2.779 8.122 1.00 10.00 C ATOM 759 CD2 LEU A 65 -6.744 4.613 7.909 1.00 10.00 C ATOM 0 H LEU A 65 -5.189 1.429 5.495 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.341 3.504 7.409 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.318 1.210 7.627 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -5.863 2.255 8.959 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.219 3.180 6.405 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.202 3.483 7.838 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.688 1.780 7.777 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.315 2.772 9.207 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -7.547 5.294 7.625 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -6.605 4.647 8.990 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -5.821 4.914 7.414 1.00 10.00 H new ATOM 771 N PHE A 66 -2.633 2.135 8.486 1.00 10.00 N ATOM 772 CA PHE A 66 -1.569 1.385 9.118 1.00 10.00 C ATOM 773 C PHE A 66 -1.432 1.815 10.572 1.00 10.00 C ATOM 774 O PHE A 66 -1.057 2.954 10.860 1.00 10.00 O ATOM 775 CB PHE A 66 -0.251 1.588 8.369 1.00 10.00 C ATOM 776 CG PHE A 66 0.887 0.778 8.923 1.00 10.00 C ATOM 777 CD1 PHE A 66 0.813 -0.605 8.971 1.00 10.00 C ATOM 778 CD2 PHE A 66 2.031 1.402 9.397 1.00 10.00 C ATOM 779 CE1 PHE A 66 1.858 -1.351 9.480 1.00 10.00 C ATOM 780 CE2 PHE A 66 3.080 0.662 9.908 1.00 10.00 C ATOM 781 CZ PHE A 66 2.992 -0.716 9.950 1.00 10.00 C ATOM 0 H PHE A 66 -2.569 3.144 8.618 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.815 0.324 9.085 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.395 1.327 7.320 1.00 10.00 H new ATOM 0 HB3 PHE A 66 0.016 2.644 8.401 1.00 10.00 H new ATOM 0 HD1 PHE A 66 -0.072 -1.105 8.606 1.00 10.00 H new ATOM 0 HD2 PHE A 66 2.103 2.479 9.366 1.00 10.00 H new ATOM 0 HE1 PHE A 66 1.789 -2.428 9.511 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.966 1.159 10.274 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.810 -1.297 10.350 1.00 10.00 H new ATOM 791 N GLU A 67 -1.782 0.905 11.476 1.00 10.00 N ATOM 792 CA GLU A 67 -1.711 1.143 12.916 1.00 10.00 C ATOM 793 C GLU A 67 -2.675 2.251 13.343 1.00 10.00 C ATOM 794 O GLU A 67 -2.421 2.984 14.302 1.00 10.00 O ATOM 795 CB GLU A 67 -0.278 1.481 13.343 1.00 10.00 C ATOM 796 CG GLU A 67 0.739 0.424 12.939 1.00 10.00 C ATOM 797 CD GLU A 67 0.380 -0.958 13.446 1.00 10.00 C ATOM 798 OE1 GLU A 67 -0.269 -1.724 12.699 1.00 10.00 O ATOM 799 OE2 GLU A 67 0.747 -1.291 14.593 1.00 10.00 O ATOM 0 H GLU A 67 -2.125 -0.024 11.230 1.00 10.00 H new ATOM 0 HA GLU A 67 -2.012 0.224 13.419 1.00 10.00 H new ATOM 0 HB2 GLU A 67 0.008 2.436 12.903 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.250 1.607 14.425 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.818 0.398 11.852 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.720 0.704 13.323 1.00 10.00 H new ATOM 806 N GLY A 68 -3.786 2.360 12.624 1.00 10.00 N ATOM 807 CA GLY A 68 -4.790 3.364 12.941 1.00 10.00 C ATOM 808 C GLY A 68 -4.574 4.672 12.208 1.00 10.00 C ATOM 809 O GLY A 68 -5.463 5.524 12.174 1.00 10.00 O ATOM 0 H GLY A 68 -4.012 1.769 11.824 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -5.777 2.974 12.692 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -4.782 3.551 14.015 1.00 10.00 H new ATOM 813 N GLN A 69 -3.401 4.834 11.614 1.00 10.00 N ATOM 814 CA GLN A 69 -3.074 6.054 10.890 1.00 10.00 C ATOM 815 C GLN A 69 -3.242 5.857 9.392 1.00 10.00 C ATOM 816 O GLN A 69 -3.113 4.743 8.887 1.00 10.00 O ATOM 817 CB GLN A 69 -1.641 6.483 11.195 1.00 10.00 C ATOM 818 CG GLN A 69 -1.420 6.885 12.642 1.00 10.00 C ATOM 819 CD GLN A 69 0.012 7.285 12.917 1.00 10.00 C ATOM 820 OE1 GLN A 69 0.712 7.788 12.039 1.00 10.00 O ATOM 821 NE2 GLN A 69 0.456 7.067 14.140 1.00 10.00 N ATOM 0 H GLN A 69 -2.658 4.135 11.619 1.00 10.00 H new ATOM 0 HA GLN A 69 -3.760 6.835 11.218 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -0.965 5.664 10.947 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -1.377 7.321 10.550 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -2.080 7.716 12.890 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -1.694 6.055 13.293 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -0.158 6.648 14.838 1.00 10.00 H new ATOM 0 HE22 GLN A 69 1.413 7.318 14.387 1.00 10.00 H new ATOM 830 N ARG A 70 -3.533 6.938 8.686 1.00 10.00 N ATOM 831 CA ARG A 70 -3.704 6.871 7.244 1.00 10.00 C ATOM 832 C ARG A 70 -2.422 7.301 6.542 1.00 10.00 C ATOM 833 O ARG A 70 -1.864 8.363 6.832 1.00 10.00 O ATOM 834 CB ARG A 70 -4.892 7.723 6.786 1.00 10.00 C ATOM 835 CG ARG A 70 -4.900 9.143 7.329 1.00 10.00 C ATOM 836 CD ARG A 70 -6.114 9.911 6.837 1.00 10.00 C ATOM 837 NE ARG A 70 -6.190 9.945 5.375 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.316 9.787 4.675 1.00 10.00 C ATOM 839 NH1 ARG A 70 -8.477 9.604 5.294 1.00 10.00 N ATOM 840 NH2 ARG A 70 -7.279 9.823 3.352 1.00 10.00 N ATOM 0 H ARG A 70 -3.655 7.868 9.086 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.919 5.837 6.973 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -4.894 7.765 5.697 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -5.815 7.228 7.087 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -4.899 9.119 8.419 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -3.990 9.658 7.021 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -7.019 9.452 7.236 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -6.078 10.930 7.221 1.00 10.00 H new ATOM 0 HE ARG A 70 -5.325 10.100 4.857 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.514 9.583 6.313 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -9.332 9.484 4.750 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -6.392 9.971 2.870 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -8.137 9.703 2.814 1.00 10.00 H new ATOM 854 N ILE A 71 -1.959 6.460 5.629 1.00 10.00 N ATOM 855 CA ILE A 71 -0.735 6.718 4.882 1.00 10.00 C ATOM 856 C ILE A 71 -0.864 7.960 4.002 1.00 10.00 C ATOM 857 O ILE A 71 -1.752 8.049 3.148 1.00 10.00 O ATOM 858 CB ILE A 71 -0.351 5.504 4.002 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.206 4.241 4.860 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.936 5.778 3.236 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.796 4.377 5.989 1.00 10.00 C ATOM 0 H ILE A 71 -2.418 5.583 5.385 1.00 10.00 H new ATOM 0 HA ILE A 71 0.051 6.891 5.617 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.151 5.341 3.280 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.179 3.985 5.280 1.00 10.00 H new ATOM 0 HG13 ILE A 71 0.093 3.411 4.220 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.187 4.911 2.624 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.799 6.648 2.594 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.745 5.971 3.941 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.842 3.443 6.549 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.780 4.601 5.577 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.488 5.184 6.653 1.00 10.00 H new ATOM 873 N ALA A 72 0.022 8.917 4.227 1.00 10.00 N ATOM 874 CA ALA A 72 0.028 10.151 3.461 1.00 10.00 C ATOM 875 C ALA A 72 0.804 9.964 2.163 1.00 10.00 C ATOM 876 O ALA A 72 1.526 8.982 1.999 1.00 10.00 O ATOM 877 CB ALA A 72 0.614 11.289 4.283 1.00 10.00 C ATOM 0 H ALA A 72 0.750 8.861 4.939 1.00 10.00 H new ATOM 0 HA ALA A 72 -1.001 10.410 3.211 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.610 12.205 3.692 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.015 11.435 5.182 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.638 11.044 4.565 1.00 10.00 H new ATOM 883 N ASP A 73 0.657 10.914 1.254 1.00 10.00 N ATOM 884 CA ASP A 73 1.323 10.851 -0.045 1.00 10.00 C ATOM 885 C ASP A 73 2.833 11.023 0.076 1.00 10.00 C ATOM 886 O ASP A 73 3.586 10.514 -0.747 1.00 10.00 O ATOM 887 CB ASP A 73 0.763 11.927 -0.977 1.00 10.00 C ATOM 888 CG ASP A 73 -0.486 11.485 -1.711 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.245 10.658 -1.165 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.716 11.979 -2.836 1.00 10.00 O ATOM 0 H ASP A 73 0.080 11.744 1.389 1.00 10.00 H new ATOM 0 HA ASP A 73 1.129 9.861 -0.459 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.539 12.822 -0.396 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.527 12.203 -1.704 1.00 10.00 H new ATOM 895 N ASN A 74 3.273 11.737 1.102 1.00 10.00 N ATOM 896 CA ASN A 74 4.701 11.984 1.305 1.00 10.00 C ATOM 897 C ASN A 74 5.284 11.101 2.405 1.00 10.00 C ATOM 898 O ASN A 74 6.346 11.396 2.954 1.00 10.00 O ATOM 899 CB ASN A 74 4.954 13.465 1.633 1.00 10.00 C ATOM 900 CG ASN A 74 4.262 13.931 2.905 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.179 13.458 3.256 1.00 10.00 O ATOM 902 ND2 ASN A 74 4.880 14.873 3.600 1.00 10.00 N ATOM 0 H ASN A 74 2.667 12.156 1.807 1.00 10.00 H new ATOM 0 HA ASN A 74 5.205 11.731 0.372 1.00 10.00 H new ATOM 0 HB2 ASN A 74 6.027 13.629 1.732 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.613 14.077 0.798 1.00 10.00 H new ATOM 0 HD21 ASN A 74 4.461 15.232 4.458 1.00 10.00 H new ATOM 0 HD22 ASN A 74 5.775 15.240 3.278 1.00 10.00 H new ATOM 909 N HIS A 75 4.609 10.003 2.708 1.00 10.00 N ATOM 910 CA HIS A 75 5.073 9.083 3.742 1.00 10.00 C ATOM 911 C HIS A 75 6.178 8.171 3.216 1.00 10.00 C ATOM 912 O HIS A 75 6.251 7.886 2.021 1.00 10.00 O ATOM 913 CB HIS A 75 3.912 8.234 4.265 1.00 10.00 C ATOM 914 CG HIS A 75 3.232 8.801 5.470 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.288 8.080 6.165 1.00 10.00 N ATOM 916 CD2 HIS A 75 3.389 10.007 6.064 1.00 10.00 C ATOM 917 CE1 HIS A 75 1.898 8.856 7.161 1.00 10.00 C ATOM 918 NE2 HIS A 75 2.538 10.031 7.136 1.00 10.00 N ATOM 0 H HIS A 75 3.739 9.725 2.255 1.00 10.00 H new ATOM 0 HA HIS A 75 5.477 9.682 4.558 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.177 8.115 3.469 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.285 7.239 4.507 1.00 10.00 H new ATOM 0 HD2 HIS A 75 4.056 10.797 5.753 1.00 10.00 H new ATOM 0 HE1 HIS A 75 1.160 8.578 7.899 1.00 10.00 H new ATOM 0 HE2 HIS A 75 2.415 10.801 7.793 1.00 10.00 H new ATOM 926 N THR A 76 7.039 7.726 4.112 1.00 10.00 N ATOM 927 CA THR A 76 8.131 6.831 3.756 1.00 10.00 C ATOM 928 C THR A 76 7.994 5.512 4.521 1.00 10.00 C ATOM 929 O THR A 76 7.484 5.501 5.639 1.00 10.00 O ATOM 930 CB THR A 76 9.506 7.476 4.056 1.00 10.00 C ATOM 931 OG1 THR A 76 9.339 8.721 4.760 1.00 10.00 O ATOM 932 CG2 THR A 76 10.280 7.732 2.769 1.00 10.00 C ATOM 0 H THR A 76 7.004 7.971 5.102 1.00 10.00 H new ATOM 0 HA THR A 76 8.075 6.637 2.685 1.00 10.00 H new ATOM 0 HB THR A 76 10.067 6.779 4.678 1.00 10.00 H new ATOM 0 HG1 THR A 76 8.762 8.581 5.539 1.00 10.00 H new ATOM 0 HG21 THR A 76 11.242 8.185 3.007 1.00 10.00 H new ATOM 0 HG22 THR A 76 10.443 6.788 2.248 1.00 10.00 H new ATOM 0 HG23 THR A 76 9.710 8.406 2.129 1.00 10.00 H new ATOM 940 N PRO A 77 8.430 4.381 3.932 1.00 10.00 N ATOM 941 CA PRO A 77 8.333 3.064 4.583 1.00 10.00 C ATOM 942 C PRO A 77 9.251 2.916 5.799 1.00 10.00 C ATOM 943 O PRO A 77 9.186 1.916 6.520 1.00 10.00 O ATOM 944 CB PRO A 77 8.748 2.083 3.480 1.00 10.00 C ATOM 945 CG PRO A 77 9.578 2.887 2.538 1.00 10.00 C ATOM 946 CD PRO A 77 9.025 4.287 2.583 1.00 10.00 C ATOM 0 HA PRO A 77 7.331 2.895 4.976 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.314 1.246 3.889 1.00 10.00 H new ATOM 0 HB3 PRO A 77 7.877 1.663 2.978 1.00 10.00 H new ATOM 0 HG2 PRO A 77 10.627 2.873 2.834 1.00 10.00 H new ATOM 0 HG3 PRO A 77 9.526 2.480 1.528 1.00 10.00 H new ATOM 0 HD2 PRO A 77 9.807 5.032 2.437 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.280 4.449 1.804 1.00 10.00 H new ATOM 954 N LYS A 78 10.116 3.899 6.021 1.00 10.00 N ATOM 955 CA LYS A 78 11.030 3.861 7.154 1.00 10.00 C ATOM 956 C LYS A 78 10.363 4.424 8.408 1.00 10.00 C ATOM 957 O LYS A 78 10.617 3.959 9.524 1.00 10.00 O ATOM 958 CB LYS A 78 12.312 4.639 6.832 1.00 10.00 C ATOM 959 CG LYS A 78 13.396 4.523 7.901 1.00 10.00 C ATOM 960 CD LYS A 78 13.707 3.073 8.257 1.00 10.00 C ATOM 961 CE LYS A 78 14.294 2.311 7.078 1.00 10.00 C ATOM 962 NZ LYS A 78 14.395 0.855 7.356 1.00 10.00 N ATOM 0 H LYS A 78 10.203 4.728 5.434 1.00 10.00 H new ATOM 0 HA LYS A 78 11.293 2.821 7.347 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.713 4.282 5.883 1.00 10.00 H new ATOM 0 HB3 LYS A 78 12.061 5.691 6.696 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.305 5.011 7.548 1.00 10.00 H new ATOM 0 HG3 LYS A 78 13.077 5.054 8.798 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.408 3.047 9.091 1.00 10.00 H new ATOM 0 HD3 LYS A 78 12.795 2.578 8.591 1.00 10.00 H new ATOM 0 HE2 LYS A 78 13.673 2.470 6.197 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.283 2.706 6.846 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 14.799 0.371 6.529 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 15.008 0.701 8.182 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 13.448 0.473 7.552 1.00 10.00 H new ATOM 976 N GLU A 79 9.495 5.411 8.222 1.00 10.00 N ATOM 977 CA GLU A 79 8.797 6.026 9.340 1.00 10.00 C ATOM 978 C GLU A 79 7.609 5.162 9.747 1.00 10.00 C ATOM 979 O GLU A 79 7.289 4.188 9.058 1.00 10.00 O ATOM 980 CB GLU A 79 8.338 7.442 8.975 1.00 10.00 C ATOM 981 CG GLU A 79 7.214 7.472 7.955 1.00 10.00 C ATOM 982 CD GLU A 79 6.908 8.865 7.462 1.00 10.00 C ATOM 983 OE1 GLU A 79 6.312 9.651 8.224 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.253 9.177 6.308 1.00 10.00 O ATOM 0 H GLU A 79 9.259 5.801 7.309 1.00 10.00 H new ATOM 0 HA GLU A 79 9.481 6.101 10.185 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.010 7.953 9.880 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.188 8.001 8.583 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.482 6.842 7.107 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.315 7.043 8.399 1.00 10.00 H new ATOM 991 N LEU A 80 6.979 5.516 10.871 1.00 10.00 N ATOM 992 CA LEU A 80 5.822 4.790 11.410 1.00 10.00 C ATOM 993 C LEU A 80 6.233 3.423 11.964 1.00 10.00 C ATOM 994 O LEU A 80 5.976 3.115 13.130 1.00 10.00 O ATOM 995 CB LEU A 80 4.718 4.637 10.354 1.00 10.00 C ATOM 996 CG LEU A 80 3.384 5.299 10.711 1.00 10.00 C ATOM 997 CD1 LEU A 80 2.528 5.478 9.467 1.00 10.00 C ATOM 998 CD2 LEU A 80 2.638 4.476 11.751 1.00 10.00 C ATOM 0 H LEU A 80 7.258 6.318 11.436 1.00 10.00 H new ATOM 0 HA LEU A 80 5.421 5.382 12.233 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.075 5.057 9.414 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.545 3.575 10.183 1.00 10.00 H new ATOM 0 HG LEU A 80 3.593 6.282 11.133 1.00 10.00 H new ATOM 0 HD11 LEU A 80 1.584 5.950 9.740 1.00 10.00 H new ATOM 0 HD12 LEU A 80 3.055 6.108 8.750 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.331 4.505 9.018 1.00 10.00 H new ATOM 0 HD21 LEU A 80 1.693 4.963 11.991 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.442 3.480 11.354 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.244 4.395 12.654 1.00 10.00 H new ATOM 1010 N GLY A 81 6.877 2.615 11.134 1.00 10.00 N ATOM 1011 CA GLY A 81 7.322 1.308 11.562 1.00 10.00 C ATOM 1012 C GLY A 81 6.760 0.193 10.706 1.00 10.00 C ATOM 1013 O GLY A 81 5.896 -0.558 11.154 1.00 10.00 O ATOM 0 H GLY A 81 7.100 2.845 10.166 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.411 1.271 11.532 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.027 1.149 12.599 1.00 10.00 H new ATOM 1017 N MET A 82 7.247 0.087 9.477 1.00 10.00 N ATOM 1018 CA MET A 82 6.795 -0.951 8.554 1.00 10.00 C ATOM 1019 C MET A 82 7.805 -2.090 8.522 1.00 10.00 C ATOM 1020 O MET A 82 9.007 -1.859 8.363 1.00 10.00 O ATOM 1021 CB MET A 82 6.597 -0.369 7.152 1.00 10.00 C ATOM 1022 CG MET A 82 5.426 0.594 7.056 1.00 10.00 C ATOM 1023 SD MET A 82 5.340 1.437 5.467 1.00 10.00 S ATOM 1024 CE MET A 82 3.783 2.302 5.638 1.00 10.00 C ATOM 0 H MET A 82 7.958 0.709 9.093 1.00 10.00 H new ATOM 0 HA MET A 82 5.837 -1.340 8.900 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.508 0.148 6.850 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.445 -1.186 6.446 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.498 0.047 7.222 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.506 1.335 7.851 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.425 2.605 4.654 1.00 10.00 H new ATOM 0 HE2 MET A 82 3.050 1.643 6.103 1.00 10.00 H new ATOM 0 HE3 MET A 82 3.924 3.185 6.261 1.00 10.00 H new ATOM 1034 N GLU A 83 7.321 -3.314 8.681 1.00 10.00 N ATOM 1035 CA GLU A 83 8.189 -4.482 8.699 1.00 10.00 C ATOM 1036 C GLU A 83 7.754 -5.546 7.695 1.00 10.00 C ATOM 1037 O GLU A 83 6.841 -5.338 6.896 1.00 10.00 O ATOM 1038 CB GLU A 83 8.222 -5.082 10.104 1.00 10.00 C ATOM 1039 CG GLU A 83 9.483 -4.746 10.875 1.00 10.00 C ATOM 1040 CD GLU A 83 10.733 -5.021 10.071 1.00 10.00 C ATOM 1041 OE1 GLU A 83 10.795 -6.074 9.401 1.00 10.00 O ATOM 1042 OE2 GLU A 83 11.656 -4.183 10.097 1.00 10.00 O ATOM 0 H GLU A 83 6.330 -3.524 8.800 1.00 10.00 H new ATOM 0 HA GLU A 83 9.186 -4.149 8.410 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.357 -4.725 10.663 1.00 10.00 H new ATOM 0 HB3 GLU A 83 8.128 -6.165 10.030 1.00 10.00 H new ATOM 0 HG2 GLU A 83 9.462 -3.695 11.163 1.00 10.00 H new ATOM 0 HG3 GLU A 83 9.510 -5.328 11.796 1.00 10.00 H new ATOM 1049 N GLU A 84 8.434 -6.687 7.753 1.00 10.00 N ATOM 1050 CA GLU A 84 8.162 -7.816 6.871 1.00 10.00 C ATOM 1051 C GLU A 84 6.850 -8.506 7.249 1.00 10.00 C ATOM 1052 O GLU A 84 6.580 -8.737 8.431 1.00 10.00 O ATOM 1053 CB GLU A 84 9.320 -8.813 6.956 1.00 10.00 C ATOM 1054 CG GLU A 84 9.244 -9.943 5.943 1.00 10.00 C ATOM 1055 CD GLU A 84 9.701 -9.535 4.559 1.00 10.00 C ATOM 1056 OE1 GLU A 84 10.158 -8.390 4.385 1.00 10.00 O ATOM 1057 OE2 GLU A 84 9.619 -10.373 3.639 1.00 10.00 O ATOM 0 H GLU A 84 9.191 -6.855 8.415 1.00 10.00 H new ATOM 0 HA GLU A 84 8.066 -7.447 5.850 1.00 10.00 H new ATOM 0 HB2 GLU A 84 10.258 -8.276 6.815 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.344 -9.240 7.959 1.00 10.00 H new ATOM 0 HG2 GLU A 84 9.856 -10.775 6.290 1.00 10.00 H new ATOM 0 HG3 GLU A 84 8.217 -10.304 5.888 1.00 10.00 H new ATOM 1064 N GLU A 85 6.049 -8.833 6.234 1.00 10.00 N ATOM 1065 CA GLU A 85 4.756 -9.498 6.415 1.00 10.00 C ATOM 1066 C GLU A 85 3.855 -8.671 7.322 1.00 10.00 C ATOM 1067 O GLU A 85 3.147 -9.209 8.181 1.00 10.00 O ATOM 1068 CB GLU A 85 4.931 -10.912 6.984 1.00 10.00 C ATOM 1069 CG GLU A 85 5.718 -11.854 6.082 1.00 10.00 C ATOM 1070 CD GLU A 85 5.012 -12.161 4.775 1.00 10.00 C ATOM 1071 OE1 GLU A 85 5.410 -11.596 3.736 1.00 10.00 O ATOM 1072 OE2 GLU A 85 4.074 -12.987 4.774 1.00 10.00 O ATOM 0 H GLU A 85 6.279 -8.644 5.259 1.00 10.00 H new ATOM 0 HA GLU A 85 4.286 -9.586 5.436 1.00 10.00 H new ATOM 0 HB2 GLU A 85 5.435 -10.844 7.948 1.00 10.00 H new ATOM 0 HB3 GLU A 85 3.947 -11.342 7.169 1.00 10.00 H new ATOM 0 HG2 GLU A 85 6.691 -11.412 5.867 1.00 10.00 H new ATOM 0 HG3 GLU A 85 5.903 -12.787 6.615 1.00 10.00 H new ATOM 1079 N ASP A 86 3.895 -7.361 7.127 1.00 10.00 N ATOM 1080 CA ASP A 86 3.094 -6.438 7.918 1.00 10.00 C ATOM 1081 C ASP A 86 1.652 -6.429 7.429 1.00 10.00 C ATOM 1082 O ASP A 86 1.390 -6.633 6.241 1.00 10.00 O ATOM 1083 CB ASP A 86 3.675 -5.028 7.843 1.00 10.00 C ATOM 1084 CG ASP A 86 4.231 -4.555 9.170 1.00 10.00 C ATOM 1085 OD1 ASP A 86 4.198 -5.326 10.151 1.00 10.00 O ATOM 1086 OD2 ASP A 86 4.705 -3.409 9.237 1.00 10.00 O ATOM 0 H ASP A 86 4.479 -6.911 6.422 1.00 10.00 H new ATOM 0 HA ASP A 86 3.112 -6.773 8.955 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.466 -5.004 7.093 1.00 10.00 H new ATOM 0 HB3 ASP A 86 2.900 -4.337 7.511 1.00 10.00 H new ATOM 1091 N VAL A 87 0.728 -6.192 8.345 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.689 -6.162 8.018 1.00 10.00 C ATOM 1093 C VAL A 87 -1.176 -4.727 7.849 1.00 10.00 C ATOM 1094 O VAL A 87 -1.131 -3.929 8.789 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.532 -6.860 9.105 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -3.003 -6.859 8.727 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -1.039 -8.279 9.333 1.00 10.00 C ATOM 0 H VAL A 87 0.935 -6.016 9.328 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.813 -6.699 7.078 1.00 10.00 H new ATOM 0 HB VAL A 87 -1.419 -6.303 10.035 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -3.579 -7.356 9.507 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -3.350 -5.831 8.618 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -3.137 -7.389 7.784 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -1.646 -8.756 10.103 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -1.119 -8.846 8.405 1.00 10.00 H new ATOM 0 HG23 VAL A 87 0.002 -8.255 9.654 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.632 -4.402 6.647 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.142 -3.072 6.353 1.00 10.00 C ATOM 1109 C ILE A 88 -3.598 -3.161 5.894 1.00 10.00 C ATOM 1110 O ILE A 88 -3.999 -4.138 5.255 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.277 -2.356 5.284 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.751 -0.913 5.082 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -1.294 -3.121 3.967 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.778 -0.055 4.300 1.00 10.00 C ATOM 0 H ILE A 88 -1.659 -5.046 5.856 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.092 -2.479 7.266 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.248 -2.330 5.643 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.710 -0.924 4.563 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -1.922 -0.456 6.057 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.680 -2.598 3.234 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -0.897 -4.124 4.124 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.318 -3.190 3.599 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.182 0.952 4.198 1.00 10.00 H new ATOM 0 HD12 ILE A 88 0.175 -0.012 4.828 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.625 -0.487 3.311 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.390 -2.159 6.245 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.799 -2.133 5.880 1.00 10.00 C ATOM 1128 C GLU A 89 -6.043 -1.140 4.753 1.00 10.00 C ATOM 1129 O GLU A 89 -5.376 -0.109 4.666 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.651 -1.761 7.095 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.507 -2.726 8.257 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.054 -2.164 9.548 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.281 -2.230 9.758 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -6.263 -1.647 10.358 1.00 10.00 O ATOM 0 H GLU A 89 -4.080 -1.350 6.784 1.00 10.00 H new ATOM 0 HA GLU A 89 -6.083 -3.127 5.535 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.376 -0.760 7.428 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.698 -1.720 6.795 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -7.026 -3.655 8.020 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.454 -2.975 8.390 1.00 10.00 H new ATOM 1141 N VAL A 90 -6.999 -1.453 3.895 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.335 -0.589 2.775 1.00 10.00 C ATOM 1143 C VAL A 90 -8.851 -0.504 2.612 1.00 10.00 C ATOM 1144 O VAL A 90 -9.516 -1.487 2.280 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.667 -1.072 1.462 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -6.951 -2.546 1.206 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.107 -0.220 0.280 1.00 10.00 C ATOM 0 H VAL A 90 -7.559 -2.304 3.953 1.00 10.00 H new ATOM 0 HA VAL A 90 -6.948 0.407 2.990 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.589 -0.957 1.578 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.469 -2.854 0.278 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.561 -3.141 2.032 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -8.027 -2.700 1.124 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.624 -0.580 -0.628 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.189 -0.287 0.166 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -6.824 0.818 0.454 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.396 0.673 2.872 1.00 10.00 N ATOM 1158 CA TYR A 91 -10.833 0.882 2.773 1.00 10.00 C ATOM 1159 C TYR A 91 -11.160 1.963 1.753 1.00 10.00 C ATOM 1160 O TYR A 91 -10.298 2.766 1.387 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.412 1.248 4.143 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.512 0.066 5.082 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.597 -0.796 5.022 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.519 -0.195 6.019 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -12.693 -1.884 5.864 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.609 -1.284 6.868 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.699 -2.125 6.784 1.00 10.00 C ATOM 1168 OH TYR A 91 -11.794 -3.213 7.619 1.00 10.00 O ATOM 0 H TYR A 91 -8.867 1.498 3.153 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.289 -0.049 2.435 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -10.788 2.016 4.601 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.403 1.681 4.008 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -13.381 -0.612 4.303 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -9.664 0.462 6.085 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -13.545 -2.544 5.801 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -9.831 -1.474 7.592 1.00 10.00 H new ATOM 0 HH TYR A 91 -11.012 -3.242 8.208 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.404 1.976 1.298 1.00 10.00 N ATOM 1179 CA GLN A 92 -12.854 2.949 0.316 1.00 10.00 C ATOM 1180 C GLN A 92 -12.987 4.329 0.945 1.00 10.00 C ATOM 1181 O GLN A 92 -13.545 4.479 2.035 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.188 2.514 -0.290 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.690 3.436 -1.388 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.944 2.917 -2.053 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -15.886 2.202 -3.050 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -17.091 3.263 -1.495 1.00 10.00 N ATOM 0 H GLN A 92 -13.124 1.318 1.596 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.108 3.003 -0.477 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -14.082 1.507 -0.694 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -14.937 2.464 0.500 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.887 4.422 -0.968 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.909 3.560 -2.139 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -17.096 3.859 -0.667 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.971 2.934 -1.892 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.470 5.330 0.254 1.00 10.00 N ATOM 1196 CA GLU A 93 -12.522 6.701 0.733 1.00 10.00 C ATOM 1197 C GLU A 93 -13.928 7.268 0.622 1.00 10.00 C ATOM 1198 O GLU A 93 -14.669 6.943 -0.306 1.00 10.00 O ATOM 1199 CB GLU A 93 -11.545 7.572 -0.054 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.153 7.603 0.543 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.078 8.457 1.791 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -10.770 8.140 2.788 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -9.335 9.460 1.777 1.00 10.00 O ATOM 0 H GLU A 93 -12.006 5.218 -0.647 1.00 10.00 H new ATOM 0 HA GLU A 93 -12.236 6.701 1.785 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -11.485 7.204 -1.078 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -11.934 8.589 -0.103 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -9.841 6.586 0.783 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -9.451 7.986 -0.198 1.00 10.00 H new ATOM 1210 N GLN A 94 -14.279 8.129 1.567 1.00 10.00 N ATOM 1211 CA GLN A 94 -15.592 8.759 1.589 1.00 10.00 C ATOM 1212 C GLN A 94 -15.744 9.673 0.383 1.00 10.00 C ATOM 1213 O GLN A 94 -16.836 9.824 -0.168 1.00 10.00 O ATOM 1214 CB GLN A 94 -15.775 9.550 2.884 1.00 10.00 C ATOM 1215 CG GLN A 94 -17.176 10.106 3.076 1.00 10.00 C ATOM 1216 CD GLN A 94 -17.324 10.866 4.381 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -16.367 11.453 4.888 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -18.524 10.861 4.932 1.00 10.00 N ATOM 0 H GLN A 94 -13.668 8.409 2.334 1.00 10.00 H new ATOM 0 HA GLN A 94 -16.360 7.987 1.545 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -15.532 8.905 3.729 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -15.063 10.375 2.897 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -17.418 10.767 2.244 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -17.895 9.287 3.052 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -19.291 10.363 4.480 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -18.684 11.356 5.810 1.00 10.00 H new ATOM 1227 N THR A 95 -14.626 10.261 -0.030 1.00 10.00 N ATOM 1228 CA THR A 95 -14.596 11.155 -1.176 1.00 10.00 C ATOM 1229 C THR A 95 -14.911 10.400 -2.467 1.00 10.00 C ATOM 1230 O THR A 95 -15.336 10.994 -3.458 1.00 10.00 O ATOM 1231 CB THR A 95 -13.216 11.827 -1.297 1.00 10.00 C ATOM 1232 OG1 THR A 95 -12.581 11.850 -0.008 1.00 10.00 O ATOM 1233 CG2 THR A 95 -13.345 13.248 -1.823 1.00 10.00 C ATOM 0 H THR A 95 -13.720 10.130 0.420 1.00 10.00 H new ATOM 0 HA THR A 95 -15.357 11.920 -1.023 1.00 10.00 H new ATOM 0 HB THR A 95 -12.613 11.253 -2.001 1.00 10.00 H new ATOM 0 HG1 THR A 95 -11.702 12.276 -0.084 1.00 10.00 H new ATOM 0 HG21 THR A 95 -12.356 13.699 -1.899 1.00 10.00 H new ATOM 0 HG22 THR A 95 -13.812 13.230 -2.808 1.00 10.00 H new ATOM 0 HG23 THR A 95 -13.960 13.834 -1.140 1.00 10.00 H new ATOM 1241 N GLY A 96 -14.690 9.089 -2.447 1.00 10.00 N ATOM 1242 CA GLY A 96 -14.955 8.264 -3.610 1.00 10.00 C ATOM 1243 C GLY A 96 -13.789 8.224 -4.576 1.00 10.00 C ATOM 1244 O GLY A 96 -13.431 7.162 -5.081 1.00 10.00 O ATOM 0 H GLY A 96 -14.329 8.581 -1.639 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -15.188 7.250 -3.286 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -15.837 8.644 -4.126 1.00 10.00 H new ATOM 1248 N GLY A 97 -13.202 9.383 -4.835 1.00 10.00 N ATOM 1249 CA GLY A 97 -12.077 9.465 -5.746 1.00 10.00 C ATOM 1250 C GLY A 97 -11.301 10.754 -5.570 1.00 10.00 C ATOM 1251 O GLY A 97 -11.478 11.452 -4.568 1.00 10.00 O ATOM 0 H GLY A 97 -13.486 10.274 -4.428 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -11.413 8.616 -5.581 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -12.435 9.394 -6.773 1.00 10.00 H new ATOM 1256 N ASP B 195 -6.434 -21.358 -3.955 1.00 10.00 N ATOM 1257 CA ASP B 195 -7.032 -20.031 -4.025 1.00 10.00 C ATOM 1258 C ASP B 195 -6.291 -19.167 -5.039 1.00 10.00 C ATOM 1259 O ASP B 195 -5.534 -19.681 -5.868 1.00 10.00 O ATOM 1260 CB ASP B 195 -6.995 -19.361 -2.651 1.00 10.00 C ATOM 1261 CG ASP B 195 -8.246 -18.556 -2.370 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -9.182 -19.106 -1.751 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -8.306 -17.377 -2.773 1.00 10.00 O ATOM 0 HA ASP B 195 -8.069 -20.137 -4.342 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -6.875 -20.123 -1.881 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -6.124 -18.708 -2.591 1.00 10.00 H new ATOM 1268 N THR B 196 -6.491 -17.861 -4.969 1.00 10.00 N ATOM 1269 CA THR B 196 -5.830 -16.953 -5.882 1.00 10.00 C ATOM 1270 C THR B 196 -4.939 -15.985 -5.120 1.00 10.00 C ATOM 1271 O THR B 196 -5.369 -15.350 -4.155 1.00 10.00 O ATOM 1272 CB THR B 196 -6.847 -16.152 -6.718 1.00 10.00 C ATOM 1273 OG1 THR B 196 -8.091 -16.865 -6.797 1.00 10.00 O ATOM 1274 CG2 THR B 196 -6.315 -15.900 -8.120 1.00 10.00 C ATOM 0 H THR B 196 -7.105 -17.410 -4.290 1.00 10.00 H new ATOM 0 HA THR B 196 -5.223 -17.558 -6.556 1.00 10.00 H new ATOM 0 HB THR B 196 -7.009 -15.192 -6.228 1.00 10.00 H new ATOM 0 HG1 THR B 196 -8.731 -16.348 -7.329 1.00 10.00 H new ATOM 0 HG21 THR B 196 -7.050 -15.333 -8.692 1.00 10.00 H new ATOM 0 HG22 THR B 196 -5.386 -15.333 -8.060 1.00 10.00 H new ATOM 0 HG23 THR B 196 -6.127 -16.853 -8.615 1.00 10.00 H new ATOM 1282 N ALA B 197 -3.692 -15.899 -5.546 1.00 10.00 N ATOM 1283 CA ALA B 197 -2.727 -15.014 -4.927 1.00 10.00 C ATOM 1284 C ALA B 197 -2.182 -14.046 -5.957 1.00 10.00 C ATOM 1285 O ALA B 197 -1.780 -14.448 -7.051 1.00 10.00 O ATOM 1286 CB ALA B 197 -1.597 -15.814 -4.303 1.00 10.00 C ATOM 0 H ALA B 197 -3.322 -16.439 -6.328 1.00 10.00 H new ATOM 0 HA ALA B 197 -3.223 -14.449 -4.138 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -0.881 -15.134 -3.842 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -2.001 -16.484 -3.544 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -1.097 -16.400 -5.074 1.00 10.00 H new ATOM 1292 N GLY B 198 -2.186 -12.774 -5.617 1.00 10.00 N ATOM 1293 CA GLY B 198 -1.684 -11.771 -6.527 1.00 10.00 C ATOM 1294 C GLY B 198 -0.515 -11.021 -5.935 1.00 10.00 C ATOM 1295 O GLY B 198 -0.589 -10.543 -4.806 1.00 10.00 O ATOM 0 H GLY B 198 -2.528 -12.414 -4.726 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -1.379 -12.245 -7.460 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -2.481 -11.069 -6.772 1.00 10.00 H new ATOM 1299 N CYS B 199 0.562 -10.925 -6.696 1.00 10.00 N ATOM 1300 CA CYS B 199 1.756 -10.235 -6.251 1.00 10.00 C ATOM 1301 C CYS B 199 2.061 -9.076 -7.188 1.00 10.00 C ATOM 1302 O CYS B 199 2.064 -9.240 -8.407 1.00 10.00 O ATOM 1303 CB CYS B 199 2.936 -11.214 -6.204 1.00 10.00 C ATOM 1304 SG CYS B 199 2.591 -12.732 -5.278 1.00 10.00 S ATOM 0 H CYS B 199 0.631 -11.321 -7.633 1.00 10.00 H new ATOM 0 HA CYS B 199 1.592 -9.839 -5.249 1.00 10.00 H new ATOM 0 HB2 CYS B 199 3.218 -11.478 -7.223 1.00 10.00 H new ATOM 0 HB3 CYS B 199 3.794 -10.713 -5.755 1.00 10.00 H new ATOM 0 HG CYS B 199 3.641 -13.498 -5.294 1.00 10.00 H new ATOM 1310 N ILE B 200 2.282 -7.904 -6.625 1.00 10.00 N ATOM 1311 CA ILE B 200 2.583 -6.724 -7.423 1.00 10.00 C ATOM 1312 C ILE B 200 3.957 -6.168 -7.065 1.00 10.00 C ATOM 1313 O ILE B 200 4.260 -5.963 -5.890 1.00 10.00 O ATOM 1314 CB ILE B 200 1.499 -5.626 -7.240 1.00 10.00 C ATOM 1315 CG1 ILE B 200 1.994 -4.267 -7.749 1.00 10.00 C ATOM 1316 CG2 ILE B 200 1.063 -5.527 -5.780 1.00 10.00 C ATOM 1317 CD1 ILE B 200 0.952 -3.167 -7.661 1.00 10.00 C ATOM 0 H ILE B 200 2.260 -7.740 -5.619 1.00 10.00 H new ATOM 0 HA ILE B 200 2.587 -7.027 -8.470 1.00 10.00 H new ATOM 0 HB ILE B 200 0.633 -5.914 -7.836 1.00 10.00 H new ATOM 0 HG12 ILE B 200 2.871 -3.971 -7.174 1.00 10.00 H new ATOM 0 HG13 ILE B 200 2.313 -4.371 -8.786 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.304 -4.751 -5.679 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.650 -6.483 -5.458 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.923 -5.276 -5.160 1.00 10.00 H new ATOM 0 HD11 ILE B 200 1.374 -2.235 -8.038 1.00 10.00 H new ATOM 0 HD12 ILE B 200 0.083 -3.441 -8.259 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.650 -3.034 -6.622 1.00 10.00 H new ATOM 1329 N VAL B 201 4.782 -5.914 -8.078 1.00 10.00 N ATOM 1330 CA VAL B 201 6.110 -5.375 -7.845 1.00 10.00 C ATOM 1331 C VAL B 201 6.246 -4.011 -8.512 1.00 10.00 C ATOM 1332 O VAL B 201 5.938 -3.833 -9.691 1.00 10.00 O ATOM 1333 CB VAL B 201 7.229 -6.326 -8.336 1.00 10.00 C ATOM 1334 CG1 VAL B 201 7.147 -6.545 -9.841 1.00 10.00 C ATOM 1335 CG2 VAL B 201 8.594 -5.778 -7.938 1.00 10.00 C ATOM 0 H VAL B 201 4.553 -6.073 -9.059 1.00 10.00 H new ATOM 0 HA VAL B 201 6.231 -5.268 -6.767 1.00 10.00 H new ATOM 0 HB VAL B 201 7.090 -7.295 -7.857 1.00 10.00 H new ATOM 0 HG11 VAL B 201 7.946 -7.217 -10.155 1.00 10.00 H new ATOM 0 HG12 VAL B 201 6.182 -6.986 -10.093 1.00 10.00 H new ATOM 0 HG13 VAL B 201 7.254 -5.589 -10.354 1.00 10.00 H new ATOM 0 HG21 VAL B 201 9.374 -6.454 -8.288 1.00 10.00 H new ATOM 0 HG22 VAL B 201 8.737 -4.796 -8.388 1.00 10.00 H new ATOM 0 HG23 VAL B 201 8.649 -5.692 -6.853 1.00 10.00 H new ATOM 1345 N ILE B 202 6.671 -3.049 -7.719 1.00 10.00 N ATOM 1346 CA ILE B 202 6.834 -1.679 -8.152 1.00 10.00 C ATOM 1347 C ILE B 202 8.254 -1.174 -7.904 1.00 10.00 C ATOM 1348 O ILE B 202 8.834 -1.448 -6.850 1.00 10.00 O ATOM 1349 CB ILE B 202 5.827 -0.779 -7.416 1.00 10.00 C ATOM 1350 CG1 ILE B 202 6.217 0.694 -7.544 1.00 10.00 C ATOM 1351 CG2 ILE B 202 5.747 -1.181 -5.946 1.00 10.00 C ATOM 1352 CD1 ILE B 202 5.154 1.644 -7.059 1.00 10.00 C ATOM 0 H ILE B 202 6.916 -3.201 -6.741 1.00 10.00 H new ATOM 0 HA ILE B 202 6.649 -1.643 -9.226 1.00 10.00 H new ATOM 0 HB ILE B 202 4.847 -0.910 -7.874 1.00 10.00 H new ATOM 0 HG12 ILE B 202 7.133 0.869 -6.980 1.00 10.00 H new ATOM 0 HG13 ILE B 202 6.439 0.913 -8.588 1.00 10.00 H new ATOM 0 HG21 ILE B 202 5.032 -0.539 -5.432 1.00 10.00 H new ATOM 0 HG22 ILE B 202 5.423 -2.219 -5.870 1.00 10.00 H new ATOM 0 HG23 ILE B 202 6.729 -1.073 -5.485 1.00 10.00 H new ATOM 0 HD11 ILE B 202 5.500 2.670 -7.180 1.00 10.00 H new ATOM 0 HD12 ILE B 202 4.243 1.497 -7.639 1.00 10.00 H new ATOM 0 HD13 ILE B 202 4.948 1.453 -6.006 1.00 10.00 H new