USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 337 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 Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0255 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0.0062) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 31 TYR OH : rot 155:sc= -2.52! USER MOD Single : A 33 ASN : amide:sc= -1.05 K(o=-1,f=-7.7!) USER MOD Single : A 34 LYS NZ :NH3+ -149:sc= 0.0367 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0104 X(o=-0.01,f=-0.19) USER MOD Single : A 39 ASN : amide:sc= -0.0803 K(o=-0.08,f=-1.9!) USER MOD Single : A 44 SER OG : rot 150:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.372 K(o=-0.37,f=-2.3!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -5.36! C(o=-5.4!,f=-6.2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -15.830 -2.280 -6.245 1.00 0.00 N ATOM 2 CA LEU A 1 -15.242 -3.106 -7.285 1.00 0.00 C ATOM 3 C LEU A 1 -14.479 -2.215 -8.268 1.00 0.00 C ATOM 4 O LEU A 1 -14.814 -2.159 -9.450 1.00 0.00 O ATOM 5 CB LEU A 1 -16.311 -3.977 -7.948 1.00 0.00 C ATOM 6 CG LEU A 1 -16.088 -5.488 -7.871 1.00 0.00 C ATOM 7 CD1 LEU A 1 -17.399 -6.247 -8.088 1.00 0.00 C ATOM 8 CD2 LEU A 1 -15.000 -5.932 -8.850 1.00 0.00 C ATOM 0 H1 LEU A 1 -16.349 -2.883 -5.575 1.00 0.00 H new ATOM 0 H2 LEU A 1 -15.078 -1.770 -5.740 1.00 0.00 H new ATOM 0 H3 LEU A 1 -16.485 -1.595 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 1 -14.520 -3.800 -6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -17.273 -3.748 -7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -16.382 -3.693 -8.998 1.00 0.00 H new ATOM 0 HG LEU A 1 -15.737 -5.731 -6.868 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -17.213 -7.319 -8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -18.117 -5.960 -7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -17.802 -6.003 -9.071 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -14.861 -7.011 -8.775 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -15.298 -5.674 -9.866 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -14.064 -5.428 -8.607 1.00 0.00 H new ATOM 19 N ALA A 2 -13.468 -1.539 -7.742 1.00 0.00 N ATOM 20 CA ALA A 2 -12.654 -0.653 -8.557 1.00 0.00 C ATOM 21 C ALA A 2 -11.236 -0.599 -7.986 1.00 0.00 C ATOM 22 O ALA A 2 -11.024 -0.903 -6.814 1.00 0.00 O ATOM 23 CB ALA A 2 -13.311 0.727 -8.621 1.00 0.00 C ATOM 0 H ALA A 2 -13.194 -1.587 -6.761 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.582 -1.028 -9.578 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.701 1.392 -9.232 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.304 0.637 -9.062 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.397 1.136 -7.614 1.00 0.00 H new ATOM 29 N ALA A 3 -10.302 -0.210 -8.841 1.00 0.00 N ATOM 30 CA ALA A 3 -8.910 -0.112 -8.436 1.00 0.00 C ATOM 31 C ALA A 3 -8.754 1.038 -7.439 1.00 0.00 C ATOM 32 O ALA A 3 -8.254 2.106 -7.791 1.00 0.00 O ATOM 33 CB ALA A 3 -8.029 0.066 -9.674 1.00 0.00 C ATOM 0 H ALA A 3 -10.482 0.041 -9.813 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.590 -1.027 -7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.985 0.140 -9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.155 -0.791 -10.336 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -8.319 0.976 -10.199 1.00 0.00 H new ATOM 39 N VAL A 4 -9.190 0.783 -6.215 1.00 0.00 N ATOM 40 CA VAL A 4 -9.106 1.783 -5.165 1.00 0.00 C ATOM 41 C VAL A 4 -7.686 2.352 -5.123 1.00 0.00 C ATOM 42 O VAL A 4 -6.768 1.787 -5.716 1.00 0.00 O ATOM 43 CB VAL A 4 -9.547 1.180 -3.830 1.00 0.00 C ATOM 44 CG1 VAL A 4 -8.746 -0.083 -3.507 1.00 0.00 C ATOM 45 CG2 VAL A 4 -9.433 2.205 -2.701 1.00 0.00 C ATOM 0 H VAL A 4 -9.603 -0.104 -5.926 1.00 0.00 H new ATOM 0 HA VAL A 4 -9.784 2.611 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.596 0.897 -3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.079 -0.491 -2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.901 -0.823 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.686 0.164 -3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -9.753 1.750 -1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.398 2.533 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.068 3.063 -2.923 1.00 0.00 H new ATOM 55 N SER A 5 -7.549 3.465 -4.416 1.00 0.00 N ATOM 56 CA SER A 5 -6.257 4.117 -4.289 1.00 0.00 C ATOM 57 C SER A 5 -5.889 4.267 -2.811 1.00 0.00 C ATOM 58 O SER A 5 -6.757 4.511 -1.974 1.00 0.00 O ATOM 59 CB SER A 5 -6.260 5.483 -4.978 1.00 0.00 C ATOM 60 OG SER A 5 -6.435 5.370 -6.387 1.00 0.00 O ATOM 0 H SER A 5 -8.312 3.931 -3.925 1.00 0.00 H new ATOM 0 HA SER A 5 -5.509 3.494 -4.781 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.059 6.097 -4.562 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.321 5.996 -4.769 1.00 0.00 H new ATOM 0 HG SER A 5 -6.433 6.263 -6.790 1.00 0.00 H new ATOM 65 N VAL A 6 -4.602 4.116 -2.536 1.00 0.00 N ATOM 66 CA VAL A 6 -4.110 4.234 -1.174 1.00 0.00 C ATOM 67 C VAL A 6 -3.536 5.635 -0.962 1.00 0.00 C ATOM 68 O VAL A 6 -2.785 6.136 -1.799 1.00 0.00 O ATOM 69 CB VAL A 6 -3.097 3.123 -0.887 1.00 0.00 C ATOM 70 CG1 VAL A 6 -2.237 3.466 0.331 1.00 0.00 C ATOM 71 CG2 VAL A 6 -3.798 1.776 -0.701 1.00 0.00 C ATOM 0 H VAL A 6 -3.885 3.913 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.925 4.106 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.437 3.041 -1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.526 2.660 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.695 4.393 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.877 3.590 1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.055 1.004 -0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.493 1.840 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.346 1.523 -1.608 1.00 0.00 H new ATOM 81 N ASP A 7 -3.911 6.230 0.161 1.00 0.00 N ATOM 82 CA ASP A 7 -3.443 7.565 0.493 1.00 0.00 C ATOM 83 C ASP A 7 -2.581 7.499 1.756 1.00 0.00 C ATOM 84 O ASP A 7 -2.934 6.820 2.719 1.00 0.00 O ATOM 85 CB ASP A 7 -4.616 8.507 0.771 1.00 0.00 C ATOM 86 CG ASP A 7 -4.252 9.991 0.838 1.00 0.00 C ATOM 87 OD1 ASP A 7 -3.070 10.355 0.937 1.00 0.00 O ATOM 88 OD2 ASP A 7 -5.254 10.802 0.783 1.00 0.00 O ATOM 0 H ASP A 7 -4.534 5.812 0.852 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.871 7.942 -0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.367 8.367 -0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.078 8.219 1.715 1.00 0.00 H new ATOM 93 N CYS A 8 -1.466 8.213 1.710 1.00 0.00 N ATOM 94 CA CYS A 8 -0.551 8.243 2.839 1.00 0.00 C ATOM 95 C CYS A 8 -0.684 9.603 3.530 1.00 0.00 C ATOM 96 O CYS A 8 0.267 10.090 4.138 1.00 0.00 O ATOM 97 CB CYS A 8 0.890 7.963 2.406 1.00 0.00 C ATOM 98 SG CYS A 8 1.825 6.856 3.525 1.00 0.00 S ATOM 0 H CYS A 8 -1.175 8.775 0.910 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.811 7.452 3.542 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.876 7.522 1.409 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.422 8.911 2.328 1.00 0.00 H new ATOM 102 N SER A 9 -1.873 10.176 3.411 1.00 0.00 N ATOM 103 CA SER A 9 -2.144 11.469 4.016 1.00 0.00 C ATOM 104 C SER A 9 -2.372 11.305 5.519 1.00 0.00 C ATOM 105 O SER A 9 -2.107 12.223 6.294 1.00 0.00 O ATOM 106 CB SER A 9 -3.356 12.139 3.366 1.00 0.00 C ATOM 107 OG SER A 9 -2.980 13.243 2.546 1.00 0.00 O ATOM 0 H SER A 9 -2.659 9.769 2.905 1.00 0.00 H new ATOM 0 HA SER A 9 -1.278 12.111 3.853 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.895 11.407 2.764 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.041 12.480 4.142 1.00 0.00 H new ATOM 0 HG SER A 9 -3.781 13.643 2.148 1.00 0.00 H new ATOM 112 N GLU A 10 -2.860 10.130 5.887 1.00 0.00 N ATOM 113 CA GLU A 10 -3.126 9.835 7.286 1.00 0.00 C ATOM 114 C GLU A 10 -2.690 8.407 7.618 1.00 0.00 C ATOM 115 O GLU A 10 -3.390 7.690 8.332 1.00 0.00 O ATOM 116 CB GLU A 10 -4.605 10.048 7.619 1.00 0.00 C ATOM 117 CG GLU A 10 -5.502 9.281 6.646 1.00 0.00 C ATOM 118 CD GLU A 10 -6.642 8.581 7.388 1.00 0.00 C ATOM 119 OE1 GLU A 10 -7.246 9.171 8.297 1.00 0.00 O ATOM 120 OE2 GLU A 10 -6.896 7.380 6.991 1.00 0.00 O ATOM 0 H GLU A 10 -3.078 9.371 5.242 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.546 10.524 7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.803 9.718 8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.842 11.111 7.576 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.913 9.968 5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.910 8.544 6.103 1.00 0.00 H new ATOM 126 N TYR A 11 -1.534 8.036 7.086 1.00 0.00 N ATOM 127 CA TYR A 11 -0.996 6.707 7.318 1.00 0.00 C ATOM 128 C TYR A 11 0.520 6.685 7.110 1.00 0.00 C ATOM 129 O TYR A 11 1.012 6.057 6.173 1.00 0.00 O ATOM 130 CB TYR A 11 -1.655 5.797 6.279 1.00 0.00 C ATOM 131 CG TYR A 11 -3.046 5.300 6.680 1.00 0.00 C ATOM 132 CD1 TYR A 11 -3.210 4.574 7.842 1.00 0.00 C ATOM 133 CD2 TYR A 11 -4.135 5.578 5.880 1.00 0.00 C ATOM 134 CE1 TYR A 11 -4.519 4.106 8.218 1.00 0.00 C ATOM 135 CE2 TYR A 11 -5.444 5.110 6.256 1.00 0.00 C ATOM 136 CZ TYR A 11 -5.571 4.397 7.407 1.00 0.00 C ATOM 137 OH TYR A 11 -6.806 3.955 7.763 1.00 0.00 O ATOM 0 H TYR A 11 -0.956 8.633 6.495 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.195 6.386 8.340 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.731 6.336 5.335 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.010 4.936 6.103 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.358 4.357 8.469 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -4.006 6.147 4.971 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.662 3.536 9.124 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.305 5.320 5.638 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.461 4.238 7.091 1.00 0.00 H new ATOM 146 N PRO A 12 1.236 7.395 8.022 1.00 0.00 N ATOM 147 CA PRO A 12 2.685 7.463 7.946 1.00 0.00 C ATOM 148 C PRO A 12 3.320 6.153 8.417 1.00 0.00 C ATOM 149 O PRO A 12 2.703 5.389 9.157 1.00 0.00 O ATOM 150 CB PRO A 12 3.068 8.654 8.811 1.00 0.00 C ATOM 151 CG PRO A 12 1.870 8.922 9.706 1.00 0.00 C ATOM 152 CD PRO A 12 0.686 8.150 9.145 1.00 0.00 C ATOM 0 HA PRO A 12 3.048 7.595 6.927 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.957 8.437 9.403 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.299 9.524 8.197 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.080 8.609 10.729 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.649 9.989 9.739 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.254 7.487 9.895 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.107 8.823 8.820 1.00 0.00 H new ATOM 157 N LYS A 13 4.548 5.934 7.968 1.00 0.00 N ATOM 158 CA LYS A 13 5.274 4.729 8.334 1.00 0.00 C ATOM 159 C LYS A 13 5.381 4.646 9.858 1.00 0.00 C ATOM 160 O LYS A 13 5.653 3.580 10.407 1.00 0.00 O ATOM 161 CB LYS A 13 6.626 4.681 7.619 1.00 0.00 C ATOM 162 CG LYS A 13 7.017 3.240 7.284 1.00 0.00 C ATOM 163 CD LYS A 13 8.514 3.013 7.505 1.00 0.00 C ATOM 164 CE LYS A 13 9.061 1.969 6.529 1.00 0.00 C ATOM 165 NZ LYS A 13 9.254 0.672 7.213 1.00 0.00 N ATOM 0 H LYS A 13 5.058 6.570 7.355 1.00 0.00 H new ATOM 0 HA LYS A 13 4.733 3.843 8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.579 5.271 6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.392 5.132 8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.445 2.550 7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.762 3.022 6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.051 3.953 7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.688 2.684 8.530 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.372 1.847 5.693 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.008 2.312 6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.626 -0.025 6.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.929 0.789 7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.343 0.339 7.589 1.00 0.00 H new ATOM 175 N ASP A 14 5.161 5.786 10.498 1.00 0.00 N ATOM 176 CA ASP A 14 5.229 5.855 11.947 1.00 0.00 C ATOM 177 C ASP A 14 3.871 5.468 12.537 1.00 0.00 C ATOM 178 O ASP A 14 3.683 5.509 13.751 1.00 0.00 O ATOM 179 CB ASP A 14 5.561 7.274 12.416 1.00 0.00 C ATOM 180 CG ASP A 14 6.109 7.372 13.840 1.00 0.00 C ATOM 181 OD1 ASP A 14 5.469 6.926 14.804 1.00 0.00 O ATOM 182 OD2 ASP A 14 7.262 7.944 13.943 1.00 0.00 O ATOM 0 H ASP A 14 4.936 6.669 10.039 1.00 0.00 H new ATOM 0 HA ASP A 14 6.011 5.172 12.280 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.291 7.705 11.731 1.00 0.00 H new ATOM 0 HB3 ASP A 14 4.660 7.884 12.347 1.00 0.00 H new ATOM 187 N ALA A 15 2.960 5.100 11.648 1.00 0.00 N ATOM 188 CA ALA A 15 1.625 4.706 12.065 1.00 0.00 C ATOM 189 C ALA A 15 1.294 3.335 11.473 1.00 0.00 C ATOM 190 O ALA A 15 0.585 3.243 10.472 1.00 0.00 O ATOM 191 CB ALA A 15 0.620 5.781 11.645 1.00 0.00 C ATOM 0 H ALA A 15 3.120 5.066 10.641 1.00 0.00 H new ATOM 0 HA ALA A 15 1.573 4.618 13.150 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.381 5.485 11.958 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.882 6.728 12.116 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.642 5.896 10.561 1.00 0.00 H new ATOM 197 N CYS A 16 1.823 2.304 12.115 1.00 0.00 N ATOM 198 CA CYS A 16 1.594 0.943 11.663 1.00 0.00 C ATOM 199 C CYS A 16 2.222 -0.013 12.680 1.00 0.00 C ATOM 200 O CYS A 16 3.374 -0.419 12.526 1.00 0.00 O ATOM 201 CB CYS A 16 2.139 0.714 10.252 1.00 0.00 C ATOM 202 SG CYS A 16 3.274 2.016 9.649 1.00 0.00 S ATOM 0 H CYS A 16 2.410 2.384 12.945 1.00 0.00 H new ATOM 0 HA CYS A 16 0.522 0.754 11.601 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.661 -0.243 10.230 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.299 0.635 9.561 1.00 0.00 H new ATOM 206 N THR A 17 1.439 -0.346 13.695 1.00 0.00 N ATOM 207 CA THR A 17 1.905 -1.246 14.736 1.00 0.00 C ATOM 208 C THR A 17 2.234 -2.619 14.147 1.00 0.00 C ATOM 209 O THR A 17 2.961 -2.715 13.159 1.00 0.00 O ATOM 210 CB THR A 17 0.836 -1.295 15.831 1.00 0.00 C ATOM 211 OG1 THR A 17 0.468 0.068 16.018 1.00 0.00 O ATOM 212 CG2 THR A 17 1.407 -1.718 17.187 1.00 0.00 C ATOM 0 H THR A 17 0.484 -0.009 13.819 1.00 0.00 H new ATOM 0 HA THR A 17 2.833 -0.888 15.182 1.00 0.00 H new ATOM 0 HB THR A 17 0.047 -1.987 15.538 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.223 0.128 16.710 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.608 -1.737 17.928 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.847 -2.712 17.103 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.173 -1.007 17.497 1.00 0.00 H new ATOM 220 N LEU A 18 1.683 -3.646 14.776 1.00 0.00 N ATOM 221 CA LEU A 18 1.908 -5.008 14.326 1.00 0.00 C ATOM 222 C LEU A 18 0.805 -5.407 13.344 1.00 0.00 C ATOM 223 O LEU A 18 0.480 -6.585 13.213 1.00 0.00 O ATOM 224 CB LEU A 18 2.037 -5.953 15.522 1.00 0.00 C ATOM 225 CG LEU A 18 0.882 -5.927 16.525 1.00 0.00 C ATOM 226 CD1 LEU A 18 1.135 -4.892 17.623 1.00 0.00 C ATOM 227 CD2 LEU A 18 -0.454 -5.697 15.817 1.00 0.00 C ATOM 0 H LEU A 18 1.080 -3.562 15.595 1.00 0.00 H new ATOM 0 HA LEU A 18 2.854 -5.079 13.789 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.143 -6.971 15.146 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.958 -5.712 16.052 1.00 0.00 H new ATOM 0 HG LEU A 18 0.826 -6.903 17.008 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.300 -4.893 18.323 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.054 -5.142 18.154 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.232 -3.903 17.175 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.258 -5.683 16.553 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.427 -4.743 15.290 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.630 -6.501 15.102 1.00 0.00 H new ATOM 238 N GLU A 19 0.259 -4.399 12.678 1.00 0.00 N ATOM 239 CA GLU A 19 -0.801 -4.630 11.711 1.00 0.00 C ATOM 240 C GLU A 19 -0.210 -5.042 10.361 1.00 0.00 C ATOM 241 O GLU A 19 0.693 -4.383 9.848 1.00 0.00 O ATOM 242 CB GLU A 19 -1.689 -3.391 11.565 1.00 0.00 C ATOM 243 CG GLU A 19 -2.934 -3.503 12.446 1.00 0.00 C ATOM 244 CD GLU A 19 -2.617 -3.125 13.894 1.00 0.00 C ATOM 245 OE1 GLU A 19 -1.445 -2.909 14.237 1.00 0.00 O ATOM 246 OE2 GLU A 19 -3.641 -3.058 14.677 1.00 0.00 O ATOM 0 H GLU A 19 0.531 -3.422 12.789 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.426 -5.445 12.075 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.124 -2.500 11.839 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.986 -3.273 10.523 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.717 -2.851 12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.320 -4.522 12.409 1.00 0.00 H new ATOM 252 N TYR A 20 -0.742 -6.131 9.825 1.00 0.00 N ATOM 253 CA TYR A 20 -0.277 -6.639 8.546 1.00 0.00 C ATOM 254 C TYR A 20 -1.427 -6.725 7.541 1.00 0.00 C ATOM 255 O TYR A 20 -2.409 -7.429 7.773 1.00 0.00 O ATOM 256 CB TYR A 20 0.252 -8.048 8.819 1.00 0.00 C ATOM 257 CG TYR A 20 1.339 -8.505 7.844 1.00 0.00 C ATOM 258 CD1 TYR A 20 1.021 -8.756 6.525 1.00 0.00 C ATOM 259 CD2 TYR A 20 2.637 -8.664 8.284 1.00 0.00 C ATOM 260 CE1 TYR A 20 2.044 -9.185 5.607 1.00 0.00 C ATOM 261 CE2 TYR A 20 3.661 -9.094 7.366 1.00 0.00 C ATOM 262 CZ TYR A 20 3.314 -9.333 6.073 1.00 0.00 C ATOM 263 OH TYR A 20 4.280 -9.738 5.207 1.00 0.00 O ATOM 0 H TYR A 20 -1.491 -6.675 10.253 1.00 0.00 H new ATOM 0 HA TYR A 20 0.484 -5.981 8.125 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.649 -8.086 9.833 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -0.579 -8.752 8.776 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.005 -8.631 6.181 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.885 -8.466 9.316 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.809 -9.385 4.572 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.681 -9.224 7.697 1.00 0.00 H new ATOM 0 HH TYR A 20 5.137 -9.799 5.678 1.00 0.00 H new ATOM 272 N ARG A 21 -1.267 -5.998 6.444 1.00 0.00 N ATOM 273 CA ARG A 21 -2.280 -5.983 5.402 1.00 0.00 C ATOM 274 C ARG A 21 -1.621 -6.011 4.022 1.00 0.00 C ATOM 275 O ARG A 21 -1.028 -5.022 3.593 1.00 0.00 O ATOM 276 CB ARG A 21 -3.165 -4.740 5.512 1.00 0.00 C ATOM 277 CG ARG A 21 -3.738 -4.598 6.924 1.00 0.00 C ATOM 278 CD ARG A 21 -4.169 -3.156 7.198 1.00 0.00 C ATOM 279 NE ARG A 21 -3.245 -2.527 8.169 1.00 0.00 N ATOM 280 CZ ARG A 21 -3.238 -1.220 8.462 1.00 0.00 C ATOM 281 NH1 ARG A 21 -4.105 -0.394 7.859 1.00 0.00 N ATOM 282 NH2 ARG A 21 -2.365 -0.737 9.356 1.00 0.00 N ATOM 0 H ARG A 21 -0.451 -5.416 6.255 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.901 -6.869 5.530 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.584 -3.852 5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.979 -4.804 4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.592 -5.265 7.043 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.990 -4.903 7.656 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.175 -2.587 6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.186 -3.140 7.589 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.571 -3.127 8.645 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.769 -0.761 7.178 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.100 0.601 8.082 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.705 -1.365 9.814 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.361 0.258 9.578 1.00 0.00 H new ATOM 293 N PRO A 22 -1.751 -7.185 3.347 1.00 0.00 N ATOM 294 CA PRO A 22 -1.175 -7.355 2.023 1.00 0.00 C ATOM 295 C PRO A 22 -2.000 -6.615 0.968 1.00 0.00 C ATOM 296 O PRO A 22 -3.221 -6.517 1.085 1.00 0.00 O ATOM 297 CB PRO A 22 -1.135 -8.857 1.801 1.00 0.00 C ATOM 298 CG PRO A 22 -2.111 -9.453 2.803 1.00 0.00 C ATOM 299 CD PRO A 22 -2.446 -8.376 3.823 1.00 0.00 C ATOM 0 HA PRO A 22 -0.176 -6.928 1.940 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.421 -9.109 0.780 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.129 -9.248 1.955 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.015 -9.796 2.299 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.671 -10.321 3.294 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.521 -8.209 3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.110 -8.658 4.821 1.00 0.00 H new ATOM 304 N LEU A 23 -1.300 -6.116 -0.041 1.00 0.00 N ATOM 305 CA LEU A 23 -1.954 -5.389 -1.117 1.00 0.00 C ATOM 306 C LEU A 23 -1.096 -5.478 -2.380 1.00 0.00 C ATOM 307 O LEU A 23 0.035 -5.960 -2.334 1.00 0.00 O ATOM 308 CB LEU A 23 -2.262 -3.954 -0.684 1.00 0.00 C ATOM 309 CG LEU A 23 -1.069 -3.127 -0.205 1.00 0.00 C ATOM 310 CD1 LEU A 23 -1.410 -1.635 -0.184 1.00 0.00 C ATOM 311 CD2 LEU A 23 -0.571 -3.619 1.156 1.00 0.00 C ATOM 0 H LEU A 23 -0.288 -6.201 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.918 -5.841 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.726 -3.434 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.000 -3.988 0.117 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.253 -3.262 -0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.545 -1.069 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.680 -1.309 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.248 -1.463 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.278 -3.014 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.373 -3.533 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.263 -4.662 1.076 1.00 0.00 H new ATOM 322 N CYS A 24 -1.666 -5.008 -3.479 1.00 0.00 N ATOM 323 CA CYS A 24 -0.968 -5.028 -4.753 1.00 0.00 C ATOM 324 C CYS A 24 -1.006 -3.618 -5.345 1.00 0.00 C ATOM 325 O CYS A 24 -1.992 -2.899 -5.183 1.00 0.00 O ATOM 326 CB CYS A 24 -1.566 -6.064 -5.708 1.00 0.00 C ATOM 327 SG CYS A 24 -1.227 -5.758 -7.481 1.00 0.00 S ATOM 0 H CYS A 24 -2.605 -4.610 -3.514 1.00 0.00 H new ATOM 0 HA CYS A 24 0.069 -5.327 -4.598 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.179 -7.048 -5.443 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.645 -6.095 -5.559 1.00 0.00 H new ATOM 331 N GLY A 25 0.078 -3.264 -6.019 1.00 0.00 N ATOM 332 CA GLY A 25 0.181 -1.953 -6.636 1.00 0.00 C ATOM 333 C GLY A 25 0.015 -2.046 -8.154 1.00 0.00 C ATOM 334 O GLY A 25 0.140 -3.125 -8.730 1.00 0.00 O ATOM 0 H GLY A 25 0.893 -3.863 -6.151 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.581 -1.292 -6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.149 -1.511 -6.399 1.00 0.00 H new ATOM 338 N SER A 26 -0.263 -0.900 -8.758 1.00 0.00 N ATOM 339 CA SER A 26 -0.447 -0.839 -10.198 1.00 0.00 C ATOM 340 C SER A 26 0.795 -1.379 -10.908 1.00 0.00 C ATOM 341 O SER A 26 0.740 -1.725 -12.088 1.00 0.00 O ATOM 342 CB SER A 26 -0.741 0.592 -10.656 1.00 0.00 C ATOM 343 OG SER A 26 -0.817 0.693 -12.075 1.00 0.00 O ATOM 0 H SER A 26 -0.365 -0.007 -8.277 1.00 0.00 H new ATOM 0 HA SER A 26 -1.305 -1.459 -10.459 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.681 0.927 -10.218 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.038 1.258 -10.286 1.00 0.00 H new ATOM 0 HG SER A 26 -1.007 1.621 -12.327 1.00 0.00 H new ATOM 348 N ASP A 27 1.888 -1.435 -10.160 1.00 0.00 N ATOM 349 CA ASP A 27 3.142 -1.927 -10.703 1.00 0.00 C ATOM 350 C ASP A 27 3.177 -3.453 -10.591 1.00 0.00 C ATOM 351 O ASP A 27 4.068 -4.099 -11.142 1.00 0.00 O ATOM 352 CB ASP A 27 4.336 -1.368 -9.927 1.00 0.00 C ATOM 353 CG ASP A 27 4.289 -1.596 -8.415 1.00 0.00 C ATOM 354 OD1 ASP A 27 3.213 -1.802 -7.833 1.00 0.00 O ATOM 355 OD2 ASP A 27 5.434 -1.558 -7.822 1.00 0.00 O ATOM 0 H ASP A 27 1.930 -1.148 -9.182 1.00 0.00 H new ATOM 0 HA ASP A 27 3.207 -1.608 -11.743 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.248 -1.819 -10.319 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.403 -0.297 -10.116 1.00 0.00 H new ATOM 360 N ASN A 28 2.200 -3.984 -9.872 1.00 0.00 N ATOM 361 CA ASN A 28 2.108 -5.421 -9.680 1.00 0.00 C ATOM 362 C ASN A 28 3.017 -5.835 -8.521 1.00 0.00 C ATOM 363 O ASN A 28 3.495 -6.968 -8.477 1.00 0.00 O ATOM 364 CB ASN A 28 2.564 -6.175 -10.931 1.00 0.00 C ATOM 365 CG ASN A 28 1.860 -7.529 -11.044 1.00 0.00 C ATOM 366 OD1 ASN A 28 2.346 -8.550 -10.587 1.00 0.00 O ATOM 367 ND2 ASN A 28 0.691 -7.479 -11.676 1.00 0.00 N ATOM 0 H ASN A 28 1.465 -3.445 -9.415 1.00 0.00 H new ATOM 0 HA ASN A 28 1.067 -5.667 -9.471 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.353 -5.577 -11.817 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.643 -6.324 -10.897 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.143 -8.330 -11.803 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.343 -6.590 -12.034 1.00 0.00 H new ATOM 373 N LYS A 29 3.228 -4.895 -7.612 1.00 0.00 N ATOM 374 CA LYS A 29 4.072 -5.149 -6.455 1.00 0.00 C ATOM 375 C LYS A 29 3.201 -5.617 -5.287 1.00 0.00 C ATOM 376 O LYS A 29 2.169 -5.015 -4.997 1.00 0.00 O ATOM 377 CB LYS A 29 4.922 -3.918 -6.134 1.00 0.00 C ATOM 378 CG LYS A 29 6.289 -4.004 -6.815 1.00 0.00 C ATOM 379 CD LYS A 29 7.227 -2.910 -6.301 1.00 0.00 C ATOM 380 CE LYS A 29 8.151 -3.449 -5.208 1.00 0.00 C ATOM 381 NZ LYS A 29 8.692 -2.339 -4.392 1.00 0.00 N ATOM 0 H LYS A 29 2.830 -3.957 -7.652 1.00 0.00 H new ATOM 0 HA LYS A 29 4.779 -5.951 -6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.404 -3.018 -6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.054 -3.834 -5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.731 -4.983 -6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.169 -3.907 -7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.823 -2.520 -7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.641 -2.078 -5.909 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.603 -4.143 -4.571 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.970 -4.009 -5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.317 -2.723 -3.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.232 -1.691 -5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.908 -1.822 -3.946 1.00 0.00 H new ATOM 391 N THR A 30 3.649 -6.688 -4.649 1.00 0.00 N ATOM 392 CA THR A 30 2.925 -7.244 -3.519 1.00 0.00 C ATOM 393 C THR A 30 3.495 -6.710 -2.204 1.00 0.00 C ATOM 394 O THR A 30 4.609 -7.063 -1.818 1.00 0.00 O ATOM 395 CB THR A 30 2.976 -8.769 -3.629 1.00 0.00 C ATOM 396 OG1 THR A 30 1.868 -9.094 -4.465 1.00 0.00 O ATOM 397 CG2 THR A 30 2.658 -9.463 -2.302 1.00 0.00 C ATOM 0 H THR A 30 4.505 -7.186 -4.893 1.00 0.00 H new ATOM 0 HA THR A 30 1.879 -6.938 -3.531 1.00 0.00 H new ATOM 0 HB THR A 30 3.965 -9.075 -3.971 1.00 0.00 H new ATOM 0 HG1 THR A 30 1.827 -10.065 -4.591 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.708 -10.544 -2.435 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.383 -9.157 -1.548 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.656 -9.184 -1.976 1.00 0.00 H new ATOM 405 N TYR A 31 2.707 -5.868 -1.552 1.00 0.00 N ATOM 406 CA TYR A 31 3.120 -5.283 -0.288 1.00 0.00 C ATOM 407 C TYR A 31 2.513 -6.042 0.893 1.00 0.00 C ATOM 408 O TYR A 31 1.529 -6.762 0.733 1.00 0.00 O ATOM 409 CB TYR A 31 2.579 -3.851 -0.290 1.00 0.00 C ATOM 410 CG TYR A 31 2.918 -3.060 -1.555 1.00 0.00 C ATOM 411 CD1 TYR A 31 4.089 -2.334 -1.623 1.00 0.00 C ATOM 412 CD2 TYR A 31 2.051 -3.073 -2.629 1.00 0.00 C ATOM 413 CE1 TYR A 31 4.407 -1.589 -2.813 1.00 0.00 C ATOM 414 CE2 TYR A 31 2.370 -2.328 -3.821 1.00 0.00 C ATOM 415 CZ TYR A 31 3.533 -1.623 -3.853 1.00 0.00 C ATOM 416 OH TYR A 31 3.833 -0.920 -4.978 1.00 0.00 O ATOM 0 H TYR A 31 1.784 -5.577 -1.876 1.00 0.00 H new ATOM 0 HA TYR A 31 4.204 -5.321 -0.184 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.496 -3.883 -0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.978 -3.321 0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.768 -2.325 -0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.134 -3.641 -2.576 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.320 -1.016 -2.878 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.701 -2.329 -4.669 1.00 0.00 H new ATOM 0 HH TYR A 31 3.377 -1.322 -5.746 1.00 0.00 H new ATOM 425 N GLY A 32 3.124 -5.855 2.053 1.00 0.00 N ATOM 426 CA GLY A 32 2.657 -6.515 3.261 1.00 0.00 C ATOM 427 C GLY A 32 1.750 -5.589 4.074 1.00 0.00 C ATOM 428 O GLY A 32 0.870 -6.055 4.796 1.00 0.00 O ATOM 0 H GLY A 32 3.939 -5.256 2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.114 -7.423 2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.510 -6.819 3.867 1.00 0.00 H new ATOM 432 N ASN A 33 1.996 -4.295 3.929 1.00 0.00 N ATOM 433 CA ASN A 33 1.213 -3.300 4.642 1.00 0.00 C ATOM 434 C ASN A 33 1.056 -2.057 3.765 1.00 0.00 C ATOM 435 O ASN A 33 1.748 -1.912 2.758 1.00 0.00 O ATOM 436 CB ASN A 33 1.907 -2.879 5.938 1.00 0.00 C ATOM 437 CG ASN A 33 0.936 -2.144 6.866 1.00 0.00 C ATOM 438 OD1 ASN A 33 0.835 -0.928 6.862 1.00 0.00 O ATOM 439 ND2 ASN A 33 0.232 -2.947 7.658 1.00 0.00 N ATOM 0 H ASN A 33 2.726 -3.913 3.328 1.00 0.00 H new ATOM 0 HA ASN A 33 0.244 -3.739 4.878 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.304 -3.759 6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.755 -2.234 5.708 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.442 -2.553 8.314 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.366 -3.957 7.610 1.00 0.00 H new ATOM 445 N LYS A 34 0.141 -1.192 4.177 1.00 0.00 N ATOM 446 CA LYS A 34 -0.116 0.034 3.441 1.00 0.00 C ATOM 447 C LYS A 34 1.039 1.012 3.668 1.00 0.00 C ATOM 448 O LYS A 34 1.323 1.851 2.814 1.00 0.00 O ATOM 449 CB LYS A 34 -1.485 0.605 3.813 1.00 0.00 C ATOM 450 CG LYS A 34 -2.446 0.544 2.623 1.00 0.00 C ATOM 451 CD LYS A 34 -3.137 -0.819 2.546 1.00 0.00 C ATOM 452 CE LYS A 34 -4.255 -0.926 3.586 1.00 0.00 C ATOM 453 NZ LYS A 34 -5.476 -0.240 3.107 1.00 0.00 N ATOM 0 H LYS A 34 -0.432 -1.316 5.012 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.159 -0.167 2.371 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.901 0.045 4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.375 1.638 4.144 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.195 1.331 2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.899 0.731 1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.549 -0.966 1.548 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.406 -1.611 2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.475 -1.975 3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.928 -0.484 4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.001 0.142 3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.210 0.538 2.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.076 -0.917 2.595 1.00 0.00 H new ATOM 463 N CYS A 35 1.675 0.870 4.821 1.00 0.00 N ATOM 464 CA CYS A 35 2.793 1.729 5.171 1.00 0.00 C ATOM 465 C CYS A 35 3.933 1.459 4.187 1.00 0.00 C ATOM 466 O CYS A 35 4.551 2.391 3.675 1.00 0.00 O ATOM 467 CB CYS A 35 3.231 1.526 6.622 1.00 0.00 C ATOM 468 SG CYS A 35 2.418 2.632 7.832 1.00 0.00 S ATOM 0 H CYS A 35 1.437 0.172 5.526 1.00 0.00 H new ATOM 0 HA CYS A 35 2.489 2.773 5.096 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.032 0.492 6.905 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.309 1.672 6.685 1.00 0.00 H new ATOM 472 N ASN A 36 4.177 0.178 3.952 1.00 0.00 N ATOM 473 CA ASN A 36 5.232 -0.228 3.038 1.00 0.00 C ATOM 474 C ASN A 36 4.872 0.218 1.620 1.00 0.00 C ATOM 475 O ASN A 36 5.721 0.729 0.891 1.00 0.00 O ATOM 476 CB ASN A 36 5.397 -1.749 3.028 1.00 0.00 C ATOM 477 CG ASN A 36 6.719 -2.160 3.680 1.00 0.00 C ATOM 478 OD1 ASN A 36 7.779 -1.637 3.380 1.00 0.00 O ATOM 479 ND2 ASN A 36 6.597 -3.127 4.585 1.00 0.00 N ATOM 0 H ASN A 36 3.662 -0.592 4.379 1.00 0.00 H new ATOM 0 HA ASN A 36 6.162 0.233 3.370 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.566 -2.212 3.559 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.364 -2.116 2.002 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.422 -3.474 5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.679 -3.522 4.789 1.00 0.00 H new ATOM 485 N PHE A 37 3.611 0.009 1.270 1.00 0.00 N ATOM 486 CA PHE A 37 3.128 0.383 -0.048 1.00 0.00 C ATOM 487 C PHE A 37 3.336 1.877 -0.304 1.00 0.00 C ATOM 488 O PHE A 37 3.924 2.260 -1.315 1.00 0.00 O ATOM 489 CB PHE A 37 1.629 0.077 -0.079 1.00 0.00 C ATOM 490 CG PHE A 37 0.885 0.727 -1.247 1.00 0.00 C ATOM 491 CD1 PHE A 37 0.508 2.031 -1.172 1.00 0.00 C ATOM 492 CD2 PHE A 37 0.601 0.000 -2.362 1.00 0.00 C ATOM 493 CE1 PHE A 37 -0.183 2.635 -2.256 1.00 0.00 C ATOM 494 CE2 PHE A 37 -0.090 0.603 -3.445 1.00 0.00 C ATOM 495 CZ PHE A 37 -0.467 1.908 -3.369 1.00 0.00 C ATOM 0 H PHE A 37 2.909 -0.415 1.877 1.00 0.00 H new ATOM 0 HA PHE A 37 3.672 -0.169 -0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.490 -1.003 -0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.181 0.413 0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.734 2.608 -0.288 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.901 -1.036 -2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.483 3.671 -2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.317 0.026 -4.329 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.992 2.367 -4.194 1.00 0.00 H new ATOM 504 N CYS A 38 2.843 2.679 0.626 1.00 0.00 N ATOM 505 CA CYS A 38 2.968 4.123 0.514 1.00 0.00 C ATOM 506 C CYS A 38 4.456 4.480 0.539 1.00 0.00 C ATOM 507 O CYS A 38 4.863 5.495 -0.022 1.00 0.00 O ATOM 508 CB CYS A 38 2.188 4.845 1.614 1.00 0.00 C ATOM 509 SG CYS A 38 3.182 5.312 3.079 1.00 0.00 S ATOM 0 H CYS A 38 2.355 2.357 1.462 1.00 0.00 H new ATOM 0 HA CYS A 38 2.532 4.457 -0.428 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.742 5.746 1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.367 4.205 1.938 1.00 0.00 H new ATOM 513 N ASN A 39 5.225 3.624 1.196 1.00 0.00 N ATOM 514 CA ASN A 39 6.658 3.837 1.303 1.00 0.00 C ATOM 515 C ASN A 39 7.288 3.743 -0.089 1.00 0.00 C ATOM 516 O ASN A 39 8.107 4.582 -0.461 1.00 0.00 O ATOM 517 CB ASN A 39 7.309 2.773 2.188 1.00 0.00 C ATOM 518 CG ASN A 39 8.651 3.261 2.737 1.00 0.00 C ATOM 519 OD1 ASN A 39 8.975 4.437 2.699 1.00 0.00 O ATOM 520 ND2 ASN A 39 9.411 2.296 3.246 1.00 0.00 N ATOM 0 H ASN A 39 4.883 2.782 1.659 1.00 0.00 H new ATOM 0 HA ASN A 39 6.820 4.821 1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.643 2.525 3.014 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.458 1.859 1.613 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.326 2.520 3.636 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.079 1.332 3.246 1.00 0.00 H new ATOM 526 N ALA A 40 6.882 2.715 -0.819 1.00 0.00 N ATOM 527 CA ALA A 40 7.396 2.501 -2.161 1.00 0.00 C ATOM 528 C ALA A 40 6.801 3.549 -3.104 1.00 0.00 C ATOM 529 O ALA A 40 7.445 3.957 -4.069 1.00 0.00 O ATOM 530 CB ALA A 40 7.081 1.071 -2.606 1.00 0.00 C ATOM 0 H ALA A 40 6.203 2.021 -0.507 1.00 0.00 H new ATOM 0 HA ALA A 40 8.480 2.618 -2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.466 0.910 -3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.550 0.365 -1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.002 0.918 -2.602 1.00 0.00 H new ATOM 536 N VAL A 41 5.580 3.954 -2.791 1.00 0.00 N ATOM 537 CA VAL A 41 4.891 4.948 -3.598 1.00 0.00 C ATOM 538 C VAL A 41 5.761 6.202 -3.707 1.00 0.00 C ATOM 539 O VAL A 41 5.910 6.766 -4.791 1.00 0.00 O ATOM 540 CB VAL A 41 3.506 5.229 -3.012 1.00 0.00 C ATOM 541 CG1 VAL A 41 3.027 6.633 -3.388 1.00 0.00 C ATOM 542 CG2 VAL A 41 2.496 4.169 -3.456 1.00 0.00 C ATOM 0 H VAL A 41 5.049 3.613 -1.990 1.00 0.00 H new ATOM 0 HA VAL A 41 4.731 4.575 -4.610 1.00 0.00 H new ATOM 0 HB VAL A 41 3.586 5.181 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.040 6.808 -2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.727 7.372 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.972 6.720 -4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.520 4.393 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.421 4.170 -4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.826 3.187 -3.116 1.00 0.00 H new ATOM 552 N VAL A 42 6.311 6.601 -2.570 1.00 0.00 N ATOM 553 CA VAL A 42 7.162 7.779 -2.525 1.00 0.00 C ATOM 554 C VAL A 42 8.359 7.574 -3.455 1.00 0.00 C ATOM 555 O VAL A 42 8.774 8.499 -4.152 1.00 0.00 O ATOM 556 CB VAL A 42 7.570 8.073 -1.080 1.00 0.00 C ATOM 557 CG1 VAL A 42 8.980 7.552 -0.791 1.00 0.00 C ATOM 558 CG2 VAL A 42 7.465 9.569 -0.774 1.00 0.00 C ATOM 0 H VAL A 42 6.185 6.131 -1.674 1.00 0.00 H new ATOM 0 HA VAL A 42 6.621 8.656 -2.881 1.00 0.00 H new ATOM 0 HB VAL A 42 6.877 7.547 -0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 42 9.245 7.774 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.009 6.474 -0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.691 8.037 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.761 9.751 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.123 10.124 -1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.437 9.899 -0.921 1.00 0.00 H new ATOM 568 N GLU A 43 8.881 6.356 -3.435 1.00 0.00 N ATOM 569 CA GLU A 43 10.023 6.018 -4.268 1.00 0.00 C ATOM 570 C GLU A 43 9.637 6.077 -5.747 1.00 0.00 C ATOM 571 O GLU A 43 10.498 6.234 -6.612 1.00 0.00 O ATOM 572 CB GLU A 43 10.581 4.642 -3.900 1.00 0.00 C ATOM 573 CG GLU A 43 12.026 4.491 -4.379 1.00 0.00 C ATOM 574 CD GLU A 43 12.314 3.052 -4.811 1.00 0.00 C ATOM 575 OE1 GLU A 43 12.287 2.136 -3.974 1.00 0.00 O ATOM 576 OE2 GLU A 43 12.572 2.900 -6.065 1.00 0.00 O ATOM 0 H GLU A 43 8.534 5.592 -2.855 1.00 0.00 H new ATOM 0 HA GLU A 43 10.809 6.752 -4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.536 4.504 -2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.963 3.863 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.209 5.168 -5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.709 4.778 -3.580 1.00 0.00 H new ATOM 582 N SER A 44 8.341 5.945 -5.993 1.00 0.00 N ATOM 583 CA SER A 44 7.831 5.981 -7.353 1.00 0.00 C ATOM 584 C SER A 44 7.426 7.409 -7.723 1.00 0.00 C ATOM 585 O SER A 44 6.679 7.620 -8.677 1.00 0.00 O ATOM 586 CB SER A 44 6.642 5.032 -7.520 1.00 0.00 C ATOM 587 OG SER A 44 7.058 3.684 -7.716 1.00 0.00 O ATOM 0 H SER A 44 7.630 5.813 -5.274 1.00 0.00 H new ATOM 0 HA SER A 44 8.623 5.650 -8.024 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.005 5.090 -6.637 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.039 5.352 -8.370 1.00 0.00 H new ATOM 0 HG SER A 44 6.380 3.076 -7.353 1.00 0.00 H new ATOM 592 N ASN A 45 7.938 8.355 -6.949 1.00 0.00 N ATOM 593 CA ASN A 45 7.639 9.757 -7.183 1.00 0.00 C ATOM 594 C ASN A 45 6.187 10.036 -6.792 1.00 0.00 C ATOM 595 O ASN A 45 5.679 11.134 -7.022 1.00 0.00 O ATOM 596 CB ASN A 45 7.810 10.117 -8.660 1.00 0.00 C ATOM 597 CG ASN A 45 8.874 11.201 -8.841 1.00 0.00 C ATOM 598 OD1 ASN A 45 9.261 11.889 -7.911 1.00 0.00 O ATOM 599 ND2 ASN A 45 9.325 11.313 -10.087 1.00 0.00 N ATOM 0 H ASN A 45 8.558 8.177 -6.159 1.00 0.00 H new ATOM 0 HA ASN A 45 8.328 10.354 -6.585 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.092 9.228 -9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.860 10.464 -9.066 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.038 12.007 -10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.958 10.705 -10.819 1.00 0.00 H new ATOM 605 N GLY A 46 5.558 9.026 -6.210 1.00 0.00 N ATOM 606 CA GLY A 46 4.174 9.150 -5.785 1.00 0.00 C ATOM 607 C GLY A 46 3.218 8.784 -6.922 1.00 0.00 C ATOM 608 O GLY A 46 2.025 9.080 -6.855 1.00 0.00 O ATOM 0 H GLY A 46 5.982 8.117 -6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.993 8.500 -4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.981 10.171 -5.457 1.00 0.00 H new ATOM 612 N THR A 47 3.777 8.146 -7.940 1.00 0.00 N ATOM 613 CA THR A 47 2.987 7.736 -9.090 1.00 0.00 C ATOM 614 C THR A 47 2.318 6.386 -8.824 1.00 0.00 C ATOM 615 O THR A 47 1.108 6.245 -8.998 1.00 0.00 O ATOM 616 CB THR A 47 3.906 7.728 -10.314 1.00 0.00 C ATOM 617 OG1 THR A 47 3.925 9.087 -10.742 1.00 0.00 O ATOM 618 CG2 THR A 47 3.296 6.973 -11.497 1.00 0.00 C ATOM 0 H THR A 47 4.766 7.903 -7.993 1.00 0.00 H new ATOM 0 HA THR A 47 2.172 8.435 -9.280 1.00 0.00 H new ATOM 0 HB THR A 47 4.862 7.277 -10.049 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.499 9.173 -11.531 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.987 6.997 -12.339 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.109 5.938 -11.211 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.357 7.445 -11.785 1.00 0.00 H new ATOM 626 N LEU A 48 3.134 5.429 -8.407 1.00 0.00 N ATOM 627 CA LEU A 48 2.635 4.095 -8.115 1.00 0.00 C ATOM 628 C LEU A 48 1.298 4.206 -7.379 1.00 0.00 C ATOM 629 O LEU A 48 1.109 5.100 -6.557 1.00 0.00 O ATOM 630 CB LEU A 48 3.688 3.283 -7.359 1.00 0.00 C ATOM 631 CG LEU A 48 3.153 2.247 -6.369 1.00 0.00 C ATOM 632 CD1 LEU A 48 2.547 1.049 -7.102 1.00 0.00 C ATOM 633 CD2 LEU A 48 4.239 1.825 -5.377 1.00 0.00 C ATOM 0 H LEU A 48 4.137 5.550 -8.264 1.00 0.00 H new ATOM 0 HA LEU A 48 2.447 3.547 -9.038 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.315 2.770 -8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.332 3.976 -6.817 1.00 0.00 H new ATOM 0 HG LEU A 48 2.352 2.708 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.174 0.328 -6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.724 1.386 -7.733 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.310 0.578 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.833 1.088 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.078 1.389 -5.920 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.581 2.697 -4.819 1.00 0.00 H new ATOM 644 N THR A 49 0.403 3.282 -7.702 1.00 0.00 N ATOM 645 CA THR A 49 -0.910 3.264 -7.082 1.00 0.00 C ATOM 646 C THR A 49 -1.223 1.870 -6.536 1.00 0.00 C ATOM 647 O THR A 49 -0.363 0.990 -6.541 1.00 0.00 O ATOM 648 CB THR A 49 -1.927 3.755 -8.115 1.00 0.00 C ATOM 649 OG1 THR A 49 -2.205 2.600 -8.903 1.00 0.00 O ATOM 650 CG2 THR A 49 -1.320 4.747 -9.108 1.00 0.00 C ATOM 0 H THR A 49 0.563 2.541 -8.385 1.00 0.00 H new ATOM 0 HA THR A 49 -0.950 3.932 -6.222 1.00 0.00 H new ATOM 0 HB THR A 49 -2.768 4.223 -7.603 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.858 2.827 -9.598 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.083 5.064 -9.819 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.943 5.616 -8.569 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.501 4.269 -9.645 1.00 0.00 H new ATOM 658 N LEU A 50 -2.456 1.712 -6.078 1.00 0.00 N ATOM 659 CA LEU A 50 -2.893 0.439 -5.529 1.00 0.00 C ATOM 660 C LEU A 50 -3.807 -0.259 -6.537 1.00 0.00 C ATOM 661 O LEU A 50 -4.920 0.199 -6.791 1.00 0.00 O ATOM 662 CB LEU A 50 -3.532 0.640 -4.154 1.00 0.00 C ATOM 663 CG LEU A 50 -4.262 -0.572 -3.570 1.00 0.00 C ATOM 664 CD1 LEU A 50 -3.342 -1.374 -2.649 1.00 0.00 C ATOM 665 CD2 LEU A 50 -5.552 -0.148 -2.866 1.00 0.00 C ATOM 0 H LEU A 50 -3.166 2.444 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.039 -0.219 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.753 0.942 -3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.239 1.467 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.546 -1.229 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.885 -2.229 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.478 -1.725 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.006 -0.740 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.051 -1.028 -2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.315 0.541 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.211 0.346 -3.580 1.00 0.00 H new ATOM 676 N SER A 51 -3.304 -1.355 -7.084 1.00 0.00 N ATOM 677 CA SER A 51 -4.062 -2.122 -8.059 1.00 0.00 C ATOM 678 C SER A 51 -5.275 -2.768 -7.388 1.00 0.00 C ATOM 679 O SER A 51 -6.397 -2.648 -7.878 1.00 0.00 O ATOM 680 CB SER A 51 -3.189 -3.191 -8.720 1.00 0.00 C ATOM 681 OG SER A 51 -3.641 -3.514 -10.031 1.00 0.00 O ATOM 0 H SER A 51 -2.380 -1.731 -6.871 1.00 0.00 H new ATOM 0 HA SER A 51 -4.405 -1.440 -8.837 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.159 -2.838 -8.768 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.189 -4.091 -8.105 1.00 0.00 H new ATOM 0 HG SER A 51 -3.057 -4.198 -10.419 1.00 0.00 H new ATOM 686 N HIS A 52 -5.009 -3.439 -6.277 1.00 0.00 N ATOM 687 CA HIS A 52 -6.065 -4.104 -5.533 1.00 0.00 C ATOM 688 C HIS A 52 -5.549 -4.496 -4.147 1.00 0.00 C ATOM 689 O HIS A 52 -4.376 -4.291 -3.837 1.00 0.00 O ATOM 690 CB HIS A 52 -6.615 -5.296 -6.320 1.00 0.00 C ATOM 691 CG HIS A 52 -5.601 -6.387 -6.571 1.00 0.00 C ATOM 692 ND1 HIS A 52 -4.628 -6.294 -7.550 1.00 0.00 N ATOM 693 CD2 HIS A 52 -5.419 -7.592 -5.959 1.00 0.00 C ATOM 694 CE1 HIS A 52 -3.899 -7.401 -7.522 1.00 0.00 C ATOM 695 NE2 HIS A 52 -4.391 -8.204 -6.535 1.00 0.00 N ATOM 0 H HIS A 52 -4.077 -3.536 -5.874 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.901 -3.419 -5.390 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.461 -5.718 -5.777 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.996 -4.941 -7.278 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -6.011 -7.982 -5.144 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -3.063 -7.627 -8.167 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -4.029 -9.123 -6.281 1.00 0.00 H new ATOM 703 N PHE A 53 -6.450 -5.052 -3.350 1.00 0.00 N ATOM 704 CA PHE A 53 -6.101 -5.474 -2.005 1.00 0.00 C ATOM 705 C PHE A 53 -5.551 -6.902 -2.003 1.00 0.00 C ATOM 706 O PHE A 53 -5.567 -7.578 -3.030 1.00 0.00 O ATOM 707 CB PHE A 53 -7.385 -5.432 -1.176 1.00 0.00 C ATOM 708 CG PHE A 53 -7.610 -4.111 -0.438 1.00 0.00 C ATOM 709 CD1 PHE A 53 -7.965 -2.997 -1.133 1.00 0.00 C ATOM 710 CD2 PHE A 53 -7.452 -4.050 0.911 1.00 0.00 C ATOM 711 CE1 PHE A 53 -8.172 -1.770 -0.449 1.00 0.00 C ATOM 712 CE2 PHE A 53 -7.661 -2.823 1.595 1.00 0.00 C ATOM 713 CZ PHE A 53 -8.016 -1.709 0.900 1.00 0.00 C ATOM 0 H PHE A 53 -7.422 -5.220 -3.611 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.332 -4.818 -1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -8.235 -5.618 -1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -7.361 -6.243 -0.448 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.089 -3.046 -2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.168 -4.934 1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.453 -0.885 -1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.538 -2.774 2.667 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.174 -0.776 1.420 1.00 0.00 H new ATOM 722 N GLY A 54 -5.078 -7.318 -0.838 1.00 0.00 N ATOM 723 CA GLY A 54 -4.525 -8.653 -0.688 1.00 0.00 C ATOM 724 C GLY A 54 -3.348 -8.869 -1.642 1.00 0.00 C ATOM 725 O GLY A 54 -2.767 -7.908 -2.144 1.00 0.00 O ATOM 0 H GLY A 54 -5.066 -6.754 0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.196 -8.801 0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.299 -9.395 -0.885 1.00 0.00 H new ATOM 729 N LYS A 55 -3.031 -10.136 -1.863 1.00 0.00 N ATOM 730 CA LYS A 55 -1.934 -10.490 -2.748 1.00 0.00 C ATOM 731 C LYS A 55 -2.291 -10.089 -4.181 1.00 0.00 C ATOM 732 O LYS A 55 -3.465 -10.059 -4.547 1.00 0.00 O ATOM 733 CB LYS A 55 -1.577 -11.969 -2.593 1.00 0.00 C ATOM 734 CG LYS A 55 -2.757 -12.861 -2.984 1.00 0.00 C ATOM 735 CD LYS A 55 -2.395 -14.341 -2.846 1.00 0.00 C ATOM 736 CE LYS A 55 -3.540 -15.129 -2.206 1.00 0.00 C ATOM 737 NZ LYS A 55 -3.965 -16.238 -3.089 1.00 0.00 N ATOM 0 H LYS A 55 -3.515 -10.931 -1.444 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.033 -9.939 -2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.715 -12.206 -3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.290 -12.171 -1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.615 -12.632 -2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.052 -12.650 -4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.167 -14.756 -3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.495 -14.444 -2.240 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.222 -15.526 -1.242 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.383 -14.465 -2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.743 -16.762 -2.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.289 -15.853 -3.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.163 -16.880 -3.250 1.00 0.00 H new ATOM 747 N CYS A 56 -1.256 -9.792 -4.953 1.00 0.00 N ATOM 748 CA CYS A 56 -1.445 -9.395 -6.338 1.00 0.00 C ATOM 749 C CYS A 56 -2.056 -10.575 -7.097 1.00 0.00 C ATOM 750 O CYS A 56 -1.369 -11.551 -7.393 1.00 0.00 O ATOM 751 CB CYS A 56 -0.136 -8.924 -6.975 1.00 0.00 C ATOM 752 SG CYS A 56 -0.302 -7.486 -8.095 1.00 0.00 S ATOM 0 H CYS A 56 -0.284 -9.818 -4.646 1.00 0.00 H new ATOM 0 HA CYS A 56 -2.123 -8.543 -6.385 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.567 -8.670 -6.182 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.299 -9.753 -7.533 1.00 0.00 H new TER 756 CYS A 56