USER MOD reduce.3.24.130724 H: found=0, std=0, add=365, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 362 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 36 CYS SG : rot -96:sc= -0.679! USER MOD Set 1.2: A 45 SER OG : rot 127:sc= 0.669 USER MOD Set 2.1: A 14 LYS NZ :NH3+ 180:sc= -0.0514 (180deg=0) USER MOD Set 2.2: A 15 ASN : amide:sc= -0.0494 X(o=-0.1,f=0) USER MOD Single : A 1 ASP N :NH3+ 169:sc= 0 (180deg=-0.118) USER MOD Single : A 6 TYR OH : rot -41:sc= 0.824 USER MOD Single : A 7 THR OG1 : rot 63:sc= 0.0979 USER MOD Single : A 8 SER OG : rot 20:sc= -0.41 USER MOD Single : A 10 THR OG1 : rot -97:sc= 0.0934 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -91:sc= 0.257 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 125:sc= -0.499! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -2.41! C(o=-2.4!,f=-6.2!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.37) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0221 USER MOD Single : A 46 GLN : amide:sc= -0.0162 X(o=-0.016,f=-0.054) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 143:sc= -0.541 (180deg=-2.21!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.6!) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.578 F(o=-1.4,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 9.456 -5.382 -6.652 1.00 0.00 N ATOM 2 CA ASP A 1 8.571 -6.530 -6.558 1.00 0.00 C ATOM 3 C ASP A 1 7.678 -6.382 -5.325 1.00 0.00 C ATOM 4 O ASP A 1 8.150 -6.496 -4.195 1.00 0.00 O ATOM 5 CB ASP A 1 9.366 -7.829 -6.413 1.00 0.00 C ATOM 6 CG ASP A 1 10.481 -7.790 -5.366 1.00 0.00 C ATOM 7 OD1 ASP A 1 10.151 -7.989 -4.177 1.00 0.00 O ATOM 8 OD2 ASP A 1 11.639 -7.562 -5.778 1.00 0.00 O ATOM 0 H1 ASP A 1 10.185 -5.563 -7.372 1.00 0.00 H new ATOM 0 H2 ASP A 1 8.906 -4.541 -6.920 1.00 0.00 H new ATOM 0 H3 ASP A 1 9.912 -5.219 -5.732 1.00 0.00 H new ATOM 0 HA ASP A 1 7.976 -6.571 -7.470 1.00 0.00 H new ATOM 0 HB2 ASP A 1 8.676 -8.633 -6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 1 9.804 -8.079 -7.379 1.00 0.00 H new ATOM 13 N ILE A 2 6.403 -6.130 -5.583 1.00 0.00 N ATOM 14 CA ILE A 2 5.440 -5.964 -4.508 1.00 0.00 C ATOM 15 C ILE A 2 4.469 -7.147 -4.512 1.00 0.00 C ATOM 16 O ILE A 2 4.035 -7.602 -3.455 1.00 0.00 O ATOM 17 CB ILE A 2 4.751 -4.602 -4.611 1.00 0.00 C ATOM 18 CG1 ILE A 2 3.454 -4.704 -5.417 1.00 0.00 C ATOM 19 CG2 ILE A 2 5.701 -3.549 -5.183 1.00 0.00 C ATOM 20 CD1 ILE A 2 2.756 -3.345 -5.505 1.00 0.00 C ATOM 0 H ILE A 2 6.015 -6.037 -6.521 1.00 0.00 H new ATOM 0 HA ILE A 2 5.944 -5.968 -3.541 1.00 0.00 H new ATOM 0 HB ILE A 2 4.481 -4.278 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 2 3.673 -5.070 -6.420 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.788 -5.430 -4.951 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.186 -2.590 -5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.571 -3.452 -4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.024 -3.853 -6.179 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.837 -3.445 -6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.517 -2.993 -4.501 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.416 -2.628 -5.994 1.00 0.00 H new ATOM 32 N GLU A 3 4.157 -7.611 -5.714 1.00 0.00 N ATOM 33 CA GLU A 3 3.245 -8.731 -5.869 1.00 0.00 C ATOM 34 C GLU A 3 3.718 -9.921 -5.031 1.00 0.00 C ATOM 35 O GLU A 3 2.907 -10.724 -4.574 1.00 0.00 O ATOM 36 CB GLU A 3 3.102 -9.121 -7.342 1.00 0.00 C ATOM 37 CG GLU A 3 2.048 -10.215 -7.520 1.00 0.00 C ATOM 38 CD GLU A 3 1.222 -9.981 -8.786 1.00 0.00 C ATOM 39 OE1 GLU A 3 1.082 -8.797 -9.161 1.00 0.00 O ATOM 40 OE2 GLU A 3 0.750 -10.991 -9.351 1.00 0.00 O ATOM 0 H GLU A 3 4.520 -7.232 -6.589 1.00 0.00 H new ATOM 0 HA GLU A 3 2.262 -8.426 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.825 -8.245 -7.928 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.061 -9.470 -7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.535 -11.189 -7.574 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.390 -10.236 -6.651 1.00 0.00 H new ATOM 47 N ASP A 4 5.030 -9.996 -4.855 1.00 0.00 N ATOM 48 CA ASP A 4 5.620 -11.073 -4.080 1.00 0.00 C ATOM 49 C ASP A 4 5.366 -10.824 -2.592 1.00 0.00 C ATOM 50 O ASP A 4 5.552 -11.719 -1.769 1.00 0.00 O ATOM 51 CB ASP A 4 7.133 -11.142 -4.296 1.00 0.00 C ATOM 52 CG ASP A 4 7.569 -11.394 -5.741 1.00 0.00 C ATOM 53 OD1 ASP A 4 7.186 -10.572 -6.601 1.00 0.00 O ATOM 54 OD2 ASP A 4 8.276 -12.403 -5.952 1.00 0.00 O ATOM 0 H ASP A 4 5.700 -9.328 -5.236 1.00 0.00 H new ATOM 0 HA ASP A 4 5.166 -12.009 -4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.576 -10.206 -3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.539 -11.934 -3.666 1.00 0.00 H new ATOM 59 N PHE A 5 4.945 -9.604 -2.292 1.00 0.00 N ATOM 60 CA PHE A 5 4.664 -9.226 -0.918 1.00 0.00 C ATOM 61 C PHE A 5 3.203 -8.800 -0.755 1.00 0.00 C ATOM 62 O PHE A 5 2.858 -8.109 0.202 1.00 0.00 O ATOM 63 CB PHE A 5 5.570 -8.039 -0.586 1.00 0.00 C ATOM 64 CG PHE A 5 6.944 -8.438 -0.043 1.00 0.00 C ATOM 65 CD1 PHE A 5 7.116 -8.635 1.291 1.00 0.00 C ATOM 66 CD2 PHE A 5 7.992 -8.594 -0.895 1.00 0.00 C ATOM 67 CE1 PHE A 5 8.392 -9.005 1.795 1.00 0.00 C ATOM 68 CE2 PHE A 5 9.267 -8.963 -0.392 1.00 0.00 C ATOM 69 CZ PHE A 5 9.440 -9.161 0.943 1.00 0.00 C ATOM 0 H PHE A 5 4.792 -8.864 -2.978 1.00 0.00 H new ATOM 0 HA PHE A 5 4.844 -10.072 -0.255 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.706 -7.437 -1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.070 -7.407 0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.283 -8.510 1.967 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.854 -8.437 -1.955 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.529 -9.162 2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.100 -9.087 -1.069 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.410 -9.442 1.326 1.00 0.00 H new ATOM 79 N TYR A 6 2.385 -9.229 -1.704 1.00 0.00 N ATOM 80 CA TYR A 6 0.970 -8.900 -1.678 1.00 0.00 C ATOM 81 C TYR A 6 0.220 -9.785 -0.681 1.00 0.00 C ATOM 82 O TYR A 6 0.241 -11.010 -0.794 1.00 0.00 O ATOM 83 CB TYR A 6 0.445 -9.182 -3.087 1.00 0.00 C ATOM 84 CG TYR A 6 -0.974 -8.668 -3.337 1.00 0.00 C ATOM 85 CD1 TYR A 6 -1.486 -7.649 -2.559 1.00 0.00 C ATOM 86 CD2 TYR A 6 -1.742 -9.223 -4.340 1.00 0.00 C ATOM 87 CE1 TYR A 6 -2.822 -7.165 -2.795 1.00 0.00 C ATOM 88 CE2 TYR A 6 -3.078 -8.739 -4.575 1.00 0.00 C ATOM 89 CZ TYR A 6 -3.552 -7.734 -3.791 1.00 0.00 C ATOM 90 OH TYR A 6 -4.813 -7.277 -4.013 1.00 0.00 O ATOM 0 H TYR A 6 2.675 -9.802 -2.496 1.00 0.00 H new ATOM 0 HA TYR A 6 0.823 -7.863 -1.377 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.119 -8.726 -3.813 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.467 -10.257 -3.263 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -0.885 -7.215 -1.774 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.341 -10.020 -4.949 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.235 -6.368 -2.194 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.690 -9.165 -5.357 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.258 -7.115 -3.155 1.00 0.00 H new ATOM 100 N THR A 7 -0.425 -9.131 0.274 1.00 0.00 N ATOM 101 CA THR A 7 -1.181 -9.843 1.290 1.00 0.00 C ATOM 102 C THR A 7 -2.682 -9.708 1.032 1.00 0.00 C ATOM 103 O THR A 7 -3.335 -8.827 1.590 1.00 0.00 O ATOM 104 CB THR A 7 -0.749 -9.312 2.659 1.00 0.00 C ATOM 105 OG1 THR A 7 -1.210 -7.964 2.669 1.00 0.00 O ATOM 106 CG2 THR A 7 0.770 -9.188 2.787 1.00 0.00 C ATOM 0 H THR A 7 -0.440 -8.115 0.365 1.00 0.00 H new ATOM 0 HA THR A 7 -0.974 -10.913 1.260 1.00 0.00 H new ATOM 0 HB THR A 7 -1.125 -9.973 3.440 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.188 -7.952 2.602 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.022 -8.807 3.777 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.228 -10.167 2.648 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.144 -8.501 2.028 1.00 0.00 H new ATOM 114 N SER A 8 -3.187 -10.593 0.185 1.00 0.00 N ATOM 115 CA SER A 8 -4.600 -10.583 -0.155 1.00 0.00 C ATOM 116 C SER A 8 -5.426 -11.083 1.032 1.00 0.00 C ATOM 117 O SER A 8 -6.655 -11.107 0.971 1.00 0.00 O ATOM 118 CB SER A 8 -4.875 -11.441 -1.392 1.00 0.00 C ATOM 119 OG SER A 8 -6.177 -12.019 -1.362 1.00 0.00 O ATOM 0 H SER A 8 -2.643 -11.322 -0.276 1.00 0.00 H new ATOM 0 HA SER A 8 -4.890 -9.558 -0.386 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.771 -10.829 -2.288 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.128 -12.232 -1.458 1.00 0.00 H new ATOM 0 HG SER A 8 -6.746 -11.512 -0.746 1.00 0.00 H new ATOM 125 N GLU A 9 -4.720 -11.470 2.084 1.00 0.00 N ATOM 126 CA GLU A 9 -5.373 -11.967 3.282 1.00 0.00 C ATOM 127 C GLU A 9 -5.976 -10.808 4.078 1.00 0.00 C ATOM 128 O GLU A 9 -7.138 -10.864 4.479 1.00 0.00 O ATOM 129 CB GLU A 9 -4.399 -12.774 4.143 1.00 0.00 C ATOM 130 CG GLU A 9 -4.988 -14.140 4.503 1.00 0.00 C ATOM 131 CD GLU A 9 -4.719 -14.483 5.970 1.00 0.00 C ATOM 132 OE1 GLU A 9 -5.377 -13.858 6.829 1.00 0.00 O ATOM 133 OE2 GLU A 9 -3.861 -15.363 6.198 1.00 0.00 O ATOM 0 H GLU A 9 -3.701 -11.449 2.131 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.180 -12.635 2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.460 -12.909 3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.169 -12.221 5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.062 -14.137 4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.555 -14.907 3.861 1.00 0.00 H new ATOM 140 N THR A 10 -5.160 -9.785 4.283 1.00 0.00 N ATOM 141 CA THR A 10 -5.598 -8.614 5.024 1.00 0.00 C ATOM 142 C THR A 10 -6.006 -7.496 4.062 1.00 0.00 C ATOM 143 O THR A 10 -6.809 -6.633 4.412 1.00 0.00 O ATOM 144 CB THR A 10 -4.475 -8.212 5.981 1.00 0.00 C ATOM 145 OG1 THR A 10 -4.731 -6.838 6.260 1.00 0.00 O ATOM 146 CG2 THR A 10 -3.103 -8.206 5.304 1.00 0.00 C ATOM 0 H THR A 10 -4.197 -9.742 3.949 1.00 0.00 H new ATOM 0 HA THR A 10 -6.487 -8.831 5.616 1.00 0.00 H new ATOM 0 HB THR A 10 -4.458 -8.897 6.829 1.00 0.00 H new ATOM 0 HG1 THR A 10 -4.181 -6.277 5.674 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.342 -7.914 6.027 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.880 -9.203 4.925 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.109 -7.496 4.477 1.00 0.00 H new ATOM 154 N CYS A 11 -5.434 -7.549 2.868 1.00 0.00 N ATOM 155 CA CYS A 11 -5.728 -6.551 1.853 1.00 0.00 C ATOM 156 C CYS A 11 -7.209 -6.661 1.486 1.00 0.00 C ATOM 157 O CYS A 11 -7.735 -7.762 1.336 1.00 0.00 O ATOM 158 CB CYS A 11 -4.824 -6.707 0.628 1.00 0.00 C ATOM 159 SG CYS A 11 -4.886 -5.312 -0.554 1.00 0.00 S ATOM 0 H CYS A 11 -4.769 -8.267 2.581 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.525 -5.556 2.249 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.796 -6.833 0.967 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.101 -7.622 0.104 1.00 0.00 H new ATOM 164 N PRO A 12 -7.857 -5.473 1.349 1.00 0.00 N ATOM 165 CA PRO A 12 -9.267 -5.425 1.003 1.00 0.00 C ATOM 166 C PRO A 12 -9.479 -5.751 -0.477 1.00 0.00 C ATOM 167 O PRO A 12 -10.615 -5.828 -0.942 1.00 0.00 O ATOM 168 CB PRO A 12 -9.715 -4.020 1.371 1.00 0.00 C ATOM 169 CG PRO A 12 -8.445 -3.191 1.474 1.00 0.00 C ATOM 170 CD PRO A 12 -7.265 -4.149 1.519 1.00 0.00 C ATOM 0 HA PRO A 12 -9.857 -6.170 1.537 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.386 -3.614 0.615 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.260 -4.019 2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.358 -2.518 0.621 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.466 -2.569 2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.548 -3.931 0.728 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.729 -4.073 2.465 1.00 0.00 H new ATOM 178 N TYR A 13 -8.368 -5.933 -1.176 1.00 0.00 N ATOM 179 CA TYR A 13 -8.419 -6.249 -2.593 1.00 0.00 C ATOM 180 C TYR A 13 -7.590 -7.497 -2.906 1.00 0.00 C ATOM 181 O TYR A 13 -6.495 -7.669 -2.374 1.00 0.00 O ATOM 182 CB TYR A 13 -7.804 -5.049 -3.315 1.00 0.00 C ATOM 183 CG TYR A 13 -8.451 -3.709 -2.957 1.00 0.00 C ATOM 184 CD1 TYR A 13 -9.596 -3.300 -3.608 1.00 0.00 C ATOM 185 CD2 TYR A 13 -7.888 -2.910 -1.983 1.00 0.00 C ATOM 186 CE1 TYR A 13 -10.205 -2.039 -3.272 1.00 0.00 C ATOM 187 CE2 TYR A 13 -8.497 -1.649 -1.646 1.00 0.00 C ATOM 188 CZ TYR A 13 -9.625 -1.276 -2.307 1.00 0.00 C ATOM 189 OH TYR A 13 -10.200 -0.085 -1.989 1.00 0.00 O ATOM 0 H TYR A 13 -7.427 -5.868 -0.787 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.445 -6.445 -2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.741 -5.002 -3.079 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.886 -5.204 -4.391 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.036 -3.926 -4.370 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.991 -3.230 -1.474 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -11.101 -1.707 -3.775 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -8.067 -1.014 -0.885 1.00 0.00 H new ATOM 0 HH TYR A 13 -9.679 0.352 -1.283 1.00 0.00 H new ATOM 199 N LYS A 14 -8.146 -8.336 -3.769 1.00 0.00 N ATOM 200 CA LYS A 14 -7.472 -9.562 -4.159 1.00 0.00 C ATOM 201 C LYS A 14 -7.500 -9.692 -5.683 1.00 0.00 C ATOM 202 O LYS A 14 -7.514 -10.800 -6.216 1.00 0.00 O ATOM 203 CB LYS A 14 -8.078 -10.762 -3.429 1.00 0.00 C ATOM 204 CG LYS A 14 -9.604 -10.660 -3.378 1.00 0.00 C ATOM 205 CD LYS A 14 -10.211 -10.819 -4.774 1.00 0.00 C ATOM 206 CE LYS A 14 -10.623 -9.463 -5.350 1.00 0.00 C ATOM 207 NZ LYS A 14 -11.796 -9.613 -6.240 1.00 0.00 N ATOM 0 H LYS A 14 -9.055 -8.190 -4.208 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.424 -9.532 -3.860 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.788 -11.683 -3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.680 -10.815 -2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.001 -11.428 -2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.894 -9.696 -2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.488 -11.295 -5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.079 -11.476 -4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.860 -8.774 -4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.791 -9.029 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.063 -8.683 -6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.558 -10.254 -7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.593 -10.007 -5.700 1.00 0.00 H new ATOM 221 N ASN A 15 -7.508 -8.542 -6.343 1.00 0.00 N ATOM 222 CA ASN A 15 -7.534 -8.513 -7.795 1.00 0.00 C ATOM 223 C ASN A 15 -6.107 -8.360 -8.324 1.00 0.00 C ATOM 224 O ASN A 15 -5.725 -9.018 -9.291 1.00 0.00 O ATOM 225 CB ASN A 15 -8.357 -7.330 -8.308 1.00 0.00 C ATOM 226 CG ASN A 15 -9.292 -7.761 -9.439 1.00 0.00 C ATOM 227 OD1 ASN A 15 -8.985 -7.639 -10.614 1.00 0.00 O ATOM 228 ND2 ASN A 15 -10.448 -8.270 -9.022 1.00 0.00 N ATOM 0 H ASN A 15 -7.497 -7.624 -5.898 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.984 -9.443 -8.142 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.941 -6.907 -7.490 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.689 -6.545 -8.663 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -11.140 -8.586 -9.701 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -10.642 -8.344 -8.023 1.00 0.00 H new ATOM 235 N ASP A 16 -5.356 -7.488 -7.667 1.00 0.00 N ATOM 236 CA ASP A 16 -3.979 -7.241 -8.058 1.00 0.00 C ATOM 237 C ASP A 16 -3.260 -6.493 -6.934 1.00 0.00 C ATOM 238 O ASP A 16 -3.879 -5.723 -6.201 1.00 0.00 O ATOM 239 CB ASP A 16 -3.912 -6.377 -9.319 1.00 0.00 C ATOM 240 CG ASP A 16 -2.849 -6.797 -10.336 1.00 0.00 C ATOM 241 OD1 ASP A 16 -3.134 -7.748 -11.095 1.00 0.00 O ATOM 242 OD2 ASP A 16 -1.774 -6.158 -10.330 1.00 0.00 O ATOM 0 H ASP A 16 -5.676 -6.944 -6.866 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.506 -8.203 -8.254 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.887 -6.396 -9.806 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.723 -5.345 -9.024 1.00 0.00 H new ATOM 247 N SER A 17 -1.964 -6.745 -6.833 1.00 0.00 N ATOM 248 CA SER A 17 -1.154 -6.105 -5.810 1.00 0.00 C ATOM 249 C SER A 17 -1.009 -4.613 -6.115 1.00 0.00 C ATOM 250 O SER A 17 -1.001 -3.788 -5.203 1.00 0.00 O ATOM 251 CB SER A 17 0.224 -6.762 -5.708 1.00 0.00 C ATOM 252 OG SER A 17 0.844 -6.904 -6.983 1.00 0.00 O ATOM 0 H SER A 17 -1.454 -7.384 -7.443 1.00 0.00 H new ATOM 0 HA SER A 17 -1.657 -6.226 -4.850 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.863 -6.164 -5.059 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.124 -7.742 -5.242 1.00 0.00 H new ATOM 0 HG SER A 17 0.616 -7.779 -7.362 1.00 0.00 H new ATOM 258 N GLN A 18 -0.898 -4.312 -7.401 1.00 0.00 N ATOM 259 CA GLN A 18 -0.754 -2.934 -7.837 1.00 0.00 C ATOM 260 C GLN A 18 -2.072 -2.179 -7.654 1.00 0.00 C ATOM 261 O GLN A 18 -2.080 -0.954 -7.544 1.00 0.00 O ATOM 262 CB GLN A 18 -0.281 -2.865 -9.290 1.00 0.00 C ATOM 263 CG GLN A 18 1.214 -3.176 -9.395 1.00 0.00 C ATOM 264 CD GLN A 18 1.496 -4.124 -10.563 1.00 0.00 C ATOM 265 OE1 GLN A 18 1.704 -5.314 -10.393 1.00 0.00 O ATOM 266 NE2 GLN A 18 1.491 -3.532 -11.754 1.00 0.00 N ATOM 0 H GLN A 18 -0.905 -4.999 -8.155 1.00 0.00 H new ATOM 0 HA GLN A 18 0.006 -2.456 -7.219 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -0.847 -3.574 -9.895 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.479 -1.872 -9.694 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.773 -2.250 -9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.562 -3.625 -8.465 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.310 -2.531 -11.825 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.669 -4.079 -12.596 1.00 0.00 H new ATOM 275 N LEU A 19 -3.155 -2.941 -7.626 1.00 0.00 N ATOM 276 CA LEU A 19 -4.476 -2.359 -7.458 1.00 0.00 C ATOM 277 C LEU A 19 -4.564 -1.693 -6.083 1.00 0.00 C ATOM 278 O LEU A 19 -4.792 -0.488 -5.987 1.00 0.00 O ATOM 279 CB LEU A 19 -5.560 -3.411 -7.702 1.00 0.00 C ATOM 280 CG LEU A 19 -6.955 -3.073 -7.171 1.00 0.00 C ATOM 281 CD1 LEU A 19 -7.037 -3.301 -5.661 1.00 0.00 C ATOM 282 CD2 LEU A 19 -7.358 -1.648 -7.559 1.00 0.00 C ATOM 0 H LEU A 19 -3.145 -3.957 -7.717 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.647 -1.580 -8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.634 -3.585 -8.775 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.238 -4.348 -7.248 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.672 -3.749 -7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.039 -3.053 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.823 -4.346 -5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.308 -2.666 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.353 -1.433 -7.170 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.643 -0.941 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.365 -1.555 -8.645 1.00 0.00 H new ATOM 294 N ALA A 20 -4.378 -2.507 -5.054 1.00 0.00 N ATOM 295 CA ALA A 20 -4.433 -2.011 -3.689 1.00 0.00 C ATOM 296 C ALA A 20 -3.364 -0.934 -3.498 1.00 0.00 C ATOM 297 O ALA A 20 -3.571 0.028 -2.760 1.00 0.00 O ATOM 298 CB ALA A 20 -4.265 -3.179 -2.715 1.00 0.00 C ATOM 0 H ALA A 20 -4.189 -3.506 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.401 -1.553 -3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.306 -2.808 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.066 -3.901 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.303 -3.661 -2.888 1.00 0.00 H new ATOM 304 N TRP A 21 -2.244 -1.130 -4.178 1.00 0.00 N ATOM 305 CA TRP A 21 -1.141 -0.188 -4.092 1.00 0.00 C ATOM 306 C TRP A 21 -1.574 1.109 -4.780 1.00 0.00 C ATOM 307 O TRP A 21 -1.279 2.200 -4.296 1.00 0.00 O ATOM 308 CB TRP A 21 0.136 -0.783 -4.687 1.00 0.00 C ATOM 309 CG TRP A 21 1.169 0.262 -5.116 1.00 0.00 C ATOM 310 CD1 TRP A 21 1.127 1.074 -6.181 1.00 0.00 C ATOM 311 CD2 TRP A 21 2.405 0.576 -4.441 1.00 0.00 C ATOM 312 NE1 TRP A 21 2.242 1.886 -6.242 1.00 0.00 N ATOM 313 CE2 TRP A 21 3.044 1.573 -5.151 1.00 0.00 C ATOM 314 CE3 TRP A 21 2.966 0.036 -3.271 1.00 0.00 C ATOM 315 CZ2 TRP A 21 4.276 2.116 -4.769 1.00 0.00 C ATOM 316 CZ3 TRP A 21 4.198 0.590 -2.903 1.00 0.00 C ATOM 317 CH2 TRP A 21 4.854 1.594 -3.606 1.00 0.00 C ATOM 0 H TRP A 21 -2.077 -1.928 -4.791 1.00 0.00 H new ATOM 0 HA TRP A 21 -0.901 0.032 -3.052 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.591 -1.448 -3.953 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.128 -1.394 -5.550 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.322 1.091 -6.901 1.00 0.00 H new ATOM 0 HE1 TRP A 21 2.441 2.587 -6.956 1.00 0.00 H new ATOM 0 HE3 TRP A 21 2.485 -0.745 -2.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 4.755 2.896 -5.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.672 0.211 -2.010 1.00 0.00 H new ATOM 0 HH2 TRP A 21 5.805 1.969 -3.257 1.00 0.00 H new ATOM 328 N ASP A 22 -2.265 0.946 -5.898 1.00 0.00 N ATOM 329 CA ASP A 22 -2.741 2.089 -6.658 1.00 0.00 C ATOM 330 C ASP A 22 -3.756 2.868 -5.817 1.00 0.00 C ATOM 331 O ASP A 22 -4.107 3.998 -6.151 1.00 0.00 O ATOM 332 CB ASP A 22 -3.437 1.645 -7.946 1.00 0.00 C ATOM 333 CG ASP A 22 -3.967 2.782 -8.820 1.00 0.00 C ATOM 334 OD1 ASP A 22 -3.127 3.589 -9.274 1.00 0.00 O ATOM 335 OD2 ASP A 22 -5.201 2.820 -9.016 1.00 0.00 O ATOM 0 H ASP A 22 -2.507 0.039 -6.296 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.880 2.708 -6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.736 1.052 -8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.268 0.990 -7.685 1.00 0.00 H new ATOM 340 N THR A 23 -4.198 2.231 -4.743 1.00 0.00 N ATOM 341 CA THR A 23 -5.165 2.850 -3.852 1.00 0.00 C ATOM 342 C THR A 23 -4.452 3.692 -2.793 1.00 0.00 C ATOM 343 O THR A 23 -4.737 4.880 -2.644 1.00 0.00 O ATOM 344 CB THR A 23 -6.039 1.742 -3.260 1.00 0.00 C ATOM 345 OG1 THR A 23 -7.295 1.903 -3.914 1.00 0.00 O ATOM 346 CG2 THR A 23 -6.356 1.973 -1.781 1.00 0.00 C ATOM 0 H THR A 23 -3.905 1.293 -4.470 1.00 0.00 H new ATOM 0 HA THR A 23 -5.812 3.542 -4.390 1.00 0.00 H new ATOM 0 HB THR A 23 -5.536 0.782 -3.377 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.922 1.223 -3.590 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.978 1.158 -1.411 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.428 2.008 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.888 2.917 -1.666 1.00 0.00 H new ATOM 354 N CYS A 24 -3.539 3.045 -2.084 1.00 0.00 N ATOM 355 CA CYS A 24 -2.783 3.720 -1.043 1.00 0.00 C ATOM 356 C CYS A 24 -1.631 4.481 -1.702 1.00 0.00 C ATOM 357 O CYS A 24 -1.627 5.711 -1.723 1.00 0.00 O ATOM 358 CB CYS A 24 -2.284 2.739 0.020 1.00 0.00 C ATOM 359 SG CYS A 24 -0.561 3.016 0.571 1.00 0.00 S ATOM 0 H CYS A 24 -3.306 2.060 -2.210 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.430 4.424 -0.519 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.942 2.799 0.887 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.366 1.726 -0.373 1.00 0.00 H new ATOM 364 N SER A 25 -0.682 3.719 -2.226 1.00 0.00 N ATOM 365 CA SER A 25 0.472 4.306 -2.884 1.00 0.00 C ATOM 366 C SER A 25 0.109 4.710 -4.315 1.00 0.00 C ATOM 367 O SER A 25 0.807 4.349 -5.261 1.00 0.00 O ATOM 368 CB SER A 25 1.655 3.337 -2.890 1.00 0.00 C ATOM 369 OG SER A 25 1.250 1.998 -2.617 1.00 0.00 O ATOM 0 H SER A 25 -0.689 2.699 -2.208 1.00 0.00 H new ATOM 0 HA SER A 25 0.768 5.194 -2.326 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.150 3.375 -3.860 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.386 3.653 -2.146 1.00 0.00 H new ATOM 0 HG SER A 25 1.563 1.409 -3.335 1.00 0.00 H new ATOM 375 N GLY A 26 -0.982 5.452 -4.427 1.00 0.00 N ATOM 376 CA GLY A 26 -1.446 5.908 -5.727 1.00 0.00 C ATOM 377 C GLY A 26 -1.632 7.427 -5.740 1.00 0.00 C ATOM 378 O GLY A 26 -2.084 7.992 -6.735 1.00 0.00 O ATOM 0 H GLY A 26 -1.558 5.749 -3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.729 5.619 -6.495 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.389 5.420 -5.972 1.00 0.00 H new ATOM 382 N GLY A 27 -1.275 8.045 -4.624 1.00 0.00 N ATOM 383 CA GLY A 27 -1.396 9.487 -4.495 1.00 0.00 C ATOM 384 C GLY A 27 -2.694 9.866 -3.778 1.00 0.00 C ATOM 385 O GLY A 27 -2.734 10.845 -3.035 1.00 0.00 O ATOM 0 H GLY A 27 -0.902 7.573 -3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.543 9.879 -3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.374 9.947 -5.483 1.00 0.00 H new ATOM 389 N THR A 28 -3.724 9.070 -4.027 1.00 0.00 N ATOM 390 CA THR A 28 -5.020 9.310 -3.415 1.00 0.00 C ATOM 391 C THR A 28 -5.506 8.055 -2.688 1.00 0.00 C ATOM 392 O THR A 28 -4.700 7.238 -2.244 1.00 0.00 O ATOM 393 CB THR A 28 -5.978 9.788 -4.508 1.00 0.00 C ATOM 394 OG1 THR A 28 -6.075 8.677 -5.395 1.00 0.00 O ATOM 395 CG2 THR A 28 -5.375 10.900 -5.369 1.00 0.00 C ATOM 0 H THR A 28 -3.687 8.259 -4.644 1.00 0.00 H new ATOM 0 HA THR A 28 -4.960 10.087 -2.653 1.00 0.00 H new ATOM 0 HB THR A 28 -6.902 10.143 -4.051 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.679 8.900 -6.134 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.095 11.203 -6.129 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.130 11.755 -4.739 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.469 10.535 -5.853 1.00 0.00 H new ATOM 403 N GLY A 29 -6.822 7.940 -2.588 1.00 0.00 N ATOM 404 CA GLY A 29 -7.426 6.798 -1.922 1.00 0.00 C ATOM 405 C GLY A 29 -7.157 6.837 -0.416 1.00 0.00 C ATOM 406 O GLY A 29 -7.467 7.824 0.248 1.00 0.00 O ATOM 0 H GLY A 29 -7.487 8.619 -2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.501 6.793 -2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.028 5.875 -2.343 1.00 0.00 H new ATOM 410 N ASN A 30 -6.582 5.750 0.078 1.00 0.00 N ATOM 411 CA ASN A 30 -6.268 5.647 1.493 1.00 0.00 C ATOM 412 C ASN A 30 -4.759 5.464 1.664 1.00 0.00 C ATOM 413 O ASN A 30 -4.311 4.475 2.242 1.00 0.00 O ATOM 414 CB ASN A 30 -6.965 4.440 2.125 1.00 0.00 C ATOM 415 CG ASN A 30 -7.113 3.301 1.115 1.00 0.00 C ATOM 416 OD1 ASN A 30 -7.895 3.362 0.181 1.00 0.00 O ATOM 417 ND2 ASN A 30 -6.320 2.260 1.354 1.00 0.00 N ATOM 0 H ASN A 30 -6.325 4.933 -0.476 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.611 6.559 1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.393 4.095 2.986 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.948 4.735 2.493 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -6.344 1.448 0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.688 2.274 2.154 1.00 0.00 H new ATOM 424 N CYS A 31 -4.016 6.434 1.150 1.00 0.00 N ATOM 425 CA CYS A 31 -2.566 6.393 1.239 1.00 0.00 C ATOM 426 C CYS A 31 -2.168 6.599 2.702 1.00 0.00 C ATOM 427 O CYS A 31 -2.880 7.263 3.455 1.00 0.00 O ATOM 428 CB CYS A 31 -1.914 7.427 0.319 1.00 0.00 C ATOM 429 SG CYS A 31 -1.709 9.089 1.056 1.00 0.00 S ATOM 0 H CYS A 31 -4.391 7.253 0.671 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.205 5.422 0.899 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.935 7.056 0.015 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.515 7.518 -0.586 1.00 0.00 H new ATOM 434 N GLY A 32 -1.033 6.018 3.060 1.00 0.00 N ATOM 435 CA GLY A 32 -0.532 6.130 4.420 1.00 0.00 C ATOM 436 C GLY A 32 0.325 4.918 4.790 1.00 0.00 C ATOM 437 O GLY A 32 0.455 3.982 4.002 1.00 0.00 O ATOM 0 H GLY A 32 -0.446 5.468 2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.058 7.041 4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.368 6.214 5.114 1.00 0.00 H new ATOM 441 N THR A 33 0.886 4.973 5.988 1.00 0.00 N ATOM 442 CA THR A 33 1.727 3.891 6.472 1.00 0.00 C ATOM 443 C THR A 33 0.873 2.674 6.833 1.00 0.00 C ATOM 444 O THR A 33 1.403 1.627 7.203 1.00 0.00 O ATOM 445 CB THR A 33 2.553 4.423 7.645 1.00 0.00 C ATOM 446 OG1 THR A 33 3.266 5.527 7.095 1.00 0.00 O ATOM 447 CG2 THR A 33 3.651 3.448 8.077 1.00 0.00 C ATOM 0 H THR A 33 0.775 5.750 6.639 1.00 0.00 H new ATOM 0 HA THR A 33 2.416 3.549 5.700 1.00 0.00 H new ATOM 0 HB THR A 33 1.895 4.627 8.490 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.826 5.933 7.789 1.00 0.00 H new ATOM 0 HG21 THR A 33 4.207 3.873 8.912 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.200 2.505 8.385 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.329 3.270 7.242 1.00 0.00 H new ATOM 455 N VAL A 34 -0.434 2.851 6.712 1.00 0.00 N ATOM 456 CA VAL A 34 -1.366 1.780 7.021 1.00 0.00 C ATOM 457 C VAL A 34 -1.252 0.688 5.956 1.00 0.00 C ATOM 458 O VAL A 34 -1.060 -0.483 6.280 1.00 0.00 O ATOM 459 CB VAL A 34 -2.784 2.341 7.153 1.00 0.00 C ATOM 460 CG1 VAL A 34 -3.784 1.231 7.483 1.00 0.00 C ATOM 461 CG2 VAL A 34 -2.837 3.456 8.199 1.00 0.00 C ATOM 0 H VAL A 34 -0.870 3.720 6.404 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.121 1.325 7.981 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.066 2.770 6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.784 1.656 7.571 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.776 0.486 6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.506 0.759 8.425 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.855 3.837 8.273 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.526 3.062 9.167 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.168 4.264 7.904 1.00 0.00 H new ATOM 471 N CYS A 35 -1.376 1.110 4.706 1.00 0.00 N ATOM 472 CA CYS A 35 -1.290 0.182 3.591 1.00 0.00 C ATOM 473 C CYS A 35 0.105 -0.448 3.597 1.00 0.00 C ATOM 474 O CYS A 35 0.329 -1.473 2.956 1.00 0.00 O ATOM 475 CB CYS A 35 -1.600 0.868 2.259 1.00 0.00 C ATOM 476 SG CYS A 35 -0.194 0.947 1.090 1.00 0.00 S ATOM 0 H CYS A 35 -1.535 2.082 4.441 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.041 -0.599 3.706 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.424 0.341 1.778 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.944 1.882 2.460 1.00 0.00 H new ATOM 481 N CYS A 36 1.005 0.193 4.328 1.00 0.00 N ATOM 482 CA CYS A 36 2.371 -0.292 4.426 1.00 0.00 C ATOM 483 C CYS A 36 2.333 -1.743 4.911 1.00 0.00 C ATOM 484 O CYS A 36 2.942 -2.621 4.302 1.00 0.00 O ATOM 485 CB CYS A 36 3.221 0.592 5.341 1.00 0.00 C ATOM 486 SG CYS A 36 3.569 -0.119 6.990 1.00 0.00 S ATOM 0 H CYS A 36 0.815 1.044 4.858 1.00 0.00 H new ATOM 0 HA CYS A 36 2.845 -0.250 3.445 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.168 0.800 4.844 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.714 1.548 5.473 1.00 0.00 H new ATOM 0 HG CYS A 36 2.714 0.345 7.852 1.00 0.00 H new ATOM 491 N GLY A 37 1.610 -1.950 6.002 1.00 0.00 N ATOM 492 CA GLY A 37 1.484 -3.279 6.575 1.00 0.00 C ATOM 493 C GLY A 37 0.035 -3.766 6.517 1.00 0.00 C ATOM 494 O GLY A 37 -0.469 -4.345 7.478 1.00 0.00 O ATOM 0 H GLY A 37 1.106 -1.219 6.504 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.127 -3.974 6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.826 -3.267 7.610 1.00 0.00 H new ATOM 498 N GLN A 38 -0.595 -3.513 5.379 1.00 0.00 N ATOM 499 CA GLN A 38 -1.977 -3.919 5.183 1.00 0.00 C ATOM 500 C GLN A 38 -2.088 -4.860 3.981 1.00 0.00 C ATOM 501 O GLN A 38 -2.636 -5.955 4.095 1.00 0.00 O ATOM 502 CB GLN A 38 -2.887 -2.701 5.011 1.00 0.00 C ATOM 503 CG GLN A 38 -4.326 -3.031 5.409 1.00 0.00 C ATOM 504 CD GLN A 38 -5.098 -1.763 5.778 1.00 0.00 C ATOM 505 OE1 GLN A 38 -5.186 -0.814 5.016 1.00 0.00 O ATOM 506 NE2 GLN A 38 -5.651 -1.799 6.988 1.00 0.00 N ATOM 0 H GLN A 38 -0.174 -3.032 4.584 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.307 -4.456 6.072 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.517 -1.877 5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.860 -2.366 3.974 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.827 -3.539 4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.324 -3.719 6.254 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.539 -2.625 7.576 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.187 -1.000 7.328 1.00 0.00 H new ATOM 515 N CYS A 39 -1.560 -4.398 2.858 1.00 0.00 N ATOM 516 CA CYS A 39 -1.593 -5.185 1.636 1.00 0.00 C ATOM 517 C CYS A 39 -0.163 -5.619 1.306 1.00 0.00 C ATOM 518 O CYS A 39 0.042 -6.554 0.533 1.00 0.00 O ATOM 519 CB CYS A 39 -2.236 -4.413 0.483 1.00 0.00 C ATOM 520 SG CYS A 39 -3.963 -3.887 0.780 1.00 0.00 S ATOM 0 H CYS A 39 -1.107 -3.489 2.768 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.214 -6.068 1.785 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.633 -3.529 0.275 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.209 -5.035 -0.412 1.00 0.00 H new ATOM 525 N PHE A 40 0.788 -4.920 1.908 1.00 0.00 N ATOM 526 CA PHE A 40 2.192 -5.222 1.687 1.00 0.00 C ATOM 527 C PHE A 40 2.968 -5.213 3.005 1.00 0.00 C ATOM 528 O PHE A 40 2.404 -4.927 4.060 1.00 0.00 O ATOM 529 CB PHE A 40 2.747 -4.126 0.775 1.00 0.00 C ATOM 530 CG PHE A 40 1.728 -3.574 -0.224 1.00 0.00 C ATOM 531 CD1 PHE A 40 1.469 -4.250 -1.376 1.00 0.00 C ATOM 532 CD2 PHE A 40 1.082 -2.406 0.039 1.00 0.00 C ATOM 533 CE1 PHE A 40 0.524 -3.737 -2.303 1.00 0.00 C ATOM 534 CE2 PHE A 40 0.137 -1.893 -0.889 1.00 0.00 C ATOM 535 CZ PHE A 40 -0.122 -2.569 -2.040 1.00 0.00 C ATOM 0 H PHE A 40 0.614 -4.146 2.549 1.00 0.00 H new ATOM 0 HA PHE A 40 2.294 -6.212 1.242 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.117 -3.307 1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.601 -4.522 0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.982 -5.177 -1.585 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.288 -1.869 0.953 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.318 -4.274 -3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.376 -0.966 -0.680 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.841 -2.179 -2.745 1.00 0.00 H new ATOM 545 N SER A 41 4.251 -5.530 2.902 1.00 0.00 N ATOM 546 CA SER A 41 5.110 -5.563 4.073 1.00 0.00 C ATOM 547 C SER A 41 6.540 -5.181 3.683 1.00 0.00 C ATOM 548 O SER A 41 6.930 -5.322 2.525 1.00 0.00 O ATOM 549 CB SER A 41 5.091 -6.943 4.732 1.00 0.00 C ATOM 550 OG SER A 41 4.883 -7.986 3.783 1.00 0.00 O ATOM 0 H SER A 41 4.716 -5.766 2.025 1.00 0.00 H new ATOM 0 HA SER A 41 4.731 -4.840 4.796 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.034 -7.109 5.252 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.303 -6.975 5.484 1.00 0.00 H new ATOM 0 HG SER A 41 4.879 -8.851 4.243 1.00 0.00 H new ATOM 556 N PHE A 42 7.281 -4.704 4.673 1.00 0.00 N ATOM 557 CA PHE A 42 8.659 -4.301 4.448 1.00 0.00 C ATOM 558 C PHE A 42 9.458 -5.425 3.785 1.00 0.00 C ATOM 559 O PHE A 42 9.120 -6.599 3.927 1.00 0.00 O ATOM 560 CB PHE A 42 9.266 -3.999 5.819 1.00 0.00 C ATOM 561 CG PHE A 42 9.946 -2.632 5.912 1.00 0.00 C ATOM 562 CD1 PHE A 42 9.197 -1.497 5.892 1.00 0.00 C ATOM 563 CD2 PHE A 42 11.300 -2.552 6.014 1.00 0.00 C ATOM 564 CE1 PHE A 42 9.829 -0.228 5.977 1.00 0.00 C ATOM 565 CE2 PHE A 42 11.932 -1.283 6.099 1.00 0.00 C ATOM 566 CZ PHE A 42 11.182 -0.148 6.079 1.00 0.00 C ATOM 0 H PHE A 42 6.953 -4.588 5.632 1.00 0.00 H new ATOM 0 HA PHE A 42 8.690 -3.433 3.789 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.480 -4.054 6.573 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.995 -4.773 6.061 1.00 0.00 H new ATOM 0 HD1 PHE A 42 8.122 -1.561 5.812 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.894 -3.454 6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 42 9.234 0.673 5.961 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.007 -1.219 6.179 1.00 0.00 H new ATOM 0 HZ PHE A 42 11.662 0.817 6.144 1.00 0.00 H new ATOM 576 N PRO A 43 10.531 -5.015 3.056 1.00 0.00 N ATOM 577 CA PRO A 43 10.861 -3.605 2.939 1.00 0.00 C ATOM 578 C PRO A 43 9.898 -2.893 1.986 1.00 0.00 C ATOM 579 O PRO A 43 10.122 -1.742 1.617 1.00 0.00 O ATOM 580 CB PRO A 43 12.302 -3.577 2.457 1.00 0.00 C ATOM 581 CG PRO A 43 12.575 -4.956 1.879 1.00 0.00 C ATOM 582 CD PRO A 43 11.454 -5.879 2.327 1.00 0.00 C ATOM 0 HA PRO A 43 10.760 -3.070 3.883 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.447 -2.802 1.704 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.984 -3.355 3.278 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.621 -4.912 0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.539 -5.331 2.224 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.965 -6.351 1.475 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.831 -6.681 2.962 1.00 0.00 H new ATOM 590 N VAL A 44 8.846 -3.609 1.616 1.00 0.00 N ATOM 591 CA VAL A 44 7.848 -3.061 0.713 1.00 0.00 C ATOM 592 C VAL A 44 7.041 -1.986 1.445 1.00 0.00 C ATOM 593 O VAL A 44 6.713 -0.951 0.867 1.00 0.00 O ATOM 594 CB VAL A 44 6.976 -4.185 0.152 1.00 0.00 C ATOM 595 CG1 VAL A 44 6.296 -3.755 -1.149 1.00 0.00 C ATOM 596 CG2 VAL A 44 7.793 -5.463 -0.053 1.00 0.00 C ATOM 0 H VAL A 44 8.663 -4.564 1.925 1.00 0.00 H new ATOM 0 HA VAL A 44 8.327 -2.583 -0.142 1.00 0.00 H new ATOM 0 HB VAL A 44 6.196 -4.399 0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.682 -4.573 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.666 -2.886 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.055 -3.500 -1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.149 -6.246 -0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.604 -5.268 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.208 -5.786 0.902 1.00 0.00 H new ATOM 606 N SER A 45 6.745 -2.269 2.705 1.00 0.00 N ATOM 607 CA SER A 45 5.983 -1.339 3.521 1.00 0.00 C ATOM 608 C SER A 45 6.617 0.052 3.461 1.00 0.00 C ATOM 609 O SER A 45 5.964 1.049 3.763 1.00 0.00 O ATOM 610 CB SER A 45 5.897 -1.821 4.970 1.00 0.00 C ATOM 611 OG SER A 45 6.188 -0.779 5.898 1.00 0.00 O ATOM 0 H SER A 45 7.019 -3.129 3.181 1.00 0.00 H new ATOM 0 HA SER A 45 4.970 -1.286 3.123 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.897 -2.210 5.164 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.595 -2.645 5.120 1.00 0.00 H new ATOM 0 HG SER A 45 5.460 -0.710 6.551 1.00 0.00 H new ATOM 617 N GLN A 46 7.882 0.074 3.069 1.00 0.00 N ATOM 618 CA GLN A 46 8.612 1.326 2.965 1.00 0.00 C ATOM 619 C GLN A 46 8.225 2.061 1.681 1.00 0.00 C ATOM 620 O GLN A 46 8.228 3.291 1.640 1.00 0.00 O ATOM 621 CB GLN A 46 10.122 1.088 3.026 1.00 0.00 C ATOM 622 CG GLN A 46 10.868 2.378 3.373 1.00 0.00 C ATOM 623 CD GLN A 46 11.872 2.742 2.277 1.00 0.00 C ATOM 624 OE1 GLN A 46 12.670 1.931 1.837 1.00 0.00 O ATOM 625 NE2 GLN A 46 11.788 4.003 1.863 1.00 0.00 N ATOM 0 H GLN A 46 8.420 -0.756 2.819 1.00 0.00 H new ATOM 0 HA GLN A 46 8.342 1.952 3.815 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.343 0.324 3.771 1.00 0.00 H new ATOM 0 HB3 GLN A 46 10.473 0.708 2.066 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.154 3.192 3.502 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.389 2.257 4.323 1.00 0.00 H new ATOM 0 HE21 GLN A 46 11.096 4.630 2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 46 12.415 4.343 1.134 1.00 0.00 H new ATOM 634 N SER A 47 7.900 1.278 0.663 1.00 0.00 N ATOM 635 CA SER A 47 7.511 1.839 -0.620 1.00 0.00 C ATOM 636 C SER A 47 6.076 2.365 -0.547 1.00 0.00 C ATOM 637 O SER A 47 5.780 3.444 -1.057 1.00 0.00 O ATOM 638 CB SER A 47 7.641 0.802 -1.737 1.00 0.00 C ATOM 639 OG SER A 47 8.846 0.049 -1.630 1.00 0.00 O ATOM 0 H SER A 47 7.898 0.259 0.701 1.00 0.00 H new ATOM 0 HA SER A 47 8.183 2.666 -0.850 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.787 0.126 -1.705 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.613 1.305 -2.704 1.00 0.00 H new ATOM 0 HG SER A 47 8.890 -0.603 -2.360 1.00 0.00 H new ATOM 645 N CYS A 48 5.223 1.577 0.091 1.00 0.00 N ATOM 646 CA CYS A 48 3.826 1.950 0.236 1.00 0.00 C ATOM 647 C CYS A 48 3.763 3.338 0.877 1.00 0.00 C ATOM 648 O CYS A 48 3.214 4.271 0.294 1.00 0.00 O ATOM 649 CB CYS A 48 3.045 0.912 1.045 1.00 0.00 C ATOM 650 SG CYS A 48 1.509 1.539 1.818 1.00 0.00 S ATOM 0 H CYS A 48 5.472 0.682 0.513 1.00 0.00 H new ATOM 0 HA CYS A 48 3.352 1.982 -0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.792 0.078 0.391 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.694 0.518 1.827 1.00 0.00 H new ATOM 655 N ALA A 49 4.334 3.430 2.069 1.00 0.00 N ATOM 656 CA ALA A 49 4.351 4.689 2.796 1.00 0.00 C ATOM 657 C ALA A 49 5.204 5.703 2.032 1.00 0.00 C ATOM 658 O ALA A 49 5.164 6.897 2.322 1.00 0.00 O ATOM 659 CB ALA A 49 4.861 4.451 4.218 1.00 0.00 C ATOM 0 H ALA A 49 4.788 2.654 2.550 1.00 0.00 H new ATOM 0 HA ALA A 49 3.344 5.099 2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.874 5.395 4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.203 3.747 4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.870 4.041 4.179 1.00 0.00 H new ATOM 665 N GLY A 50 5.957 5.189 1.070 1.00 0.00 N ATOM 666 CA GLY A 50 6.819 6.035 0.262 1.00 0.00 C ATOM 667 C GLY A 50 6.045 6.651 -0.905 1.00 0.00 C ATOM 668 O GLY A 50 6.054 7.868 -1.087 1.00 0.00 O ATOM 0 H GLY A 50 5.988 4.198 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.241 6.827 0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.655 5.449 -0.120 1.00 0.00 H new ATOM 672 N MET A 51 5.394 5.783 -1.666 1.00 0.00 N ATOM 673 CA MET A 51 4.617 6.227 -2.810 1.00 0.00 C ATOM 674 C MET A 51 3.203 6.630 -2.389 1.00 0.00 C ATOM 675 O MET A 51 2.314 6.762 -3.230 1.00 0.00 O ATOM 676 CB MET A 51 4.540 5.100 -3.843 1.00 0.00 C ATOM 677 CG MET A 51 4.051 5.627 -5.193 1.00 0.00 C ATOM 678 SD MET A 51 5.440 5.906 -6.279 1.00 0.00 S ATOM 679 CE MET A 51 5.389 4.402 -7.240 1.00 0.00 C ATOM 0 H MET A 51 5.389 4.775 -1.512 1.00 0.00 H new ATOM 0 HA MET A 51 5.109 7.098 -3.244 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.522 4.642 -3.961 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.866 4.321 -3.487 1.00 0.00 H new ATOM 0 HG2 MET A 51 3.364 4.912 -5.645 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.497 6.555 -5.051 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.657 4.621 -8.274 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.096 3.682 -6.827 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.383 3.983 -7.207 1.00 0.00 H new ATOM 689 N ALA A 52 3.037 6.815 -1.087 1.00 0.00 N ATOM 690 CA ALA A 52 1.746 7.201 -0.544 1.00 0.00 C ATOM 691 C ALA A 52 1.655 8.728 -0.492 1.00 0.00 C ATOM 692 O ALA A 52 0.998 9.285 0.386 1.00 0.00 O ATOM 693 CB ALA A 52 1.558 6.559 0.832 1.00 0.00 C ATOM 0 H ALA A 52 3.776 6.705 -0.392 1.00 0.00 H new ATOM 0 HA ALA A 52 0.939 6.844 -1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.589 6.849 1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.602 5.474 0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.349 6.896 1.502 1.00 0.00 H new ATOM 699 N ASP A 53 2.324 9.361 -1.444 1.00 0.00 N ATOM 700 CA ASP A 53 2.327 10.812 -1.518 1.00 0.00 C ATOM 701 C ASP A 53 2.871 11.384 -0.207 1.00 0.00 C ATOM 702 O ASP A 53 2.862 10.708 0.820 1.00 0.00 O ATOM 703 CB ASP A 53 0.912 11.357 -1.720 1.00 0.00 C ATOM 704 CG ASP A 53 0.604 11.849 -3.135 1.00 0.00 C ATOM 705 OD1 ASP A 53 1.489 11.677 -4.001 1.00 0.00 O ATOM 706 OD2 ASP A 53 -0.509 12.386 -3.320 1.00 0.00 O ATOM 0 H ASP A 53 2.868 8.896 -2.171 1.00 0.00 H new ATOM 0 HA ASP A 53 2.950 11.105 -2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.198 10.576 -1.460 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.753 12.180 -1.023 1.00 0.00 H new ATOM 711 N SER A 54 3.332 12.624 -0.286 1.00 0.00 N ATOM 712 CA SER A 54 3.879 13.294 0.881 1.00 0.00 C ATOM 713 C SER A 54 2.867 14.304 1.427 1.00 0.00 C ATOM 714 O SER A 54 2.267 14.081 2.477 1.00 0.00 O ATOM 715 CB SER A 54 5.199 13.993 0.548 1.00 0.00 C ATOM 716 OG SER A 54 6.318 13.322 1.120 1.00 0.00 O ATOM 0 H SER A 54 3.338 13.182 -1.140 1.00 0.00 H new ATOM 0 HA SER A 54 4.080 12.542 1.644 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.320 14.042 -0.534 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.167 15.020 0.912 1.00 0.00 H new ATOM 0 HG SER A 54 7.141 13.798 0.883 1.00 0.00 H new ATOM 722 N ASN A 55 2.710 15.393 0.689 1.00 0.00 N ATOM 723 CA ASN A 55 1.781 16.438 1.086 1.00 0.00 C ATOM 724 C ASN A 55 0.674 16.556 0.036 1.00 0.00 C ATOM 725 O ASN A 55 -0.301 17.278 0.235 1.00 0.00 O ATOM 726 CB ASN A 55 2.485 17.792 1.185 1.00 0.00 C ATOM 727 CG ASN A 55 2.012 18.567 2.417 1.00 0.00 C ATOM 728 OD1 ASN A 55 1.426 18.021 3.338 1.00 0.00 O ATOM 729 ND2 ASN A 55 2.299 19.865 2.382 1.00 0.00 N ATOM 0 H ASN A 55 3.210 15.575 -0.181 1.00 0.00 H new ATOM 0 HA ASN A 55 1.371 16.173 2.061 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.563 17.642 1.237 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.287 18.375 0.286 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.026 20.469 3.157 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.792 20.257 1.580 1.00 0.00 H new ATOM 736 N ASP A 56 0.863 15.835 -1.060 1.00 0.00 N ATOM 737 CA ASP A 56 -0.107 15.851 -2.142 1.00 0.00 C ATOM 738 C ASP A 56 -1.333 15.032 -1.733 1.00 0.00 C ATOM 739 O ASP A 56 -2.417 15.213 -2.286 1.00 0.00 O ATOM 740 CB ASP A 56 0.475 15.228 -3.413 1.00 0.00 C ATOM 741 CG ASP A 56 1.560 16.058 -4.101 1.00 0.00 C ATOM 742 OD1 ASP A 56 2.351 16.684 -3.362 1.00 0.00 O ATOM 743 OD2 ASP A 56 1.574 16.049 -5.351 1.00 0.00 O ATOM 0 H ASP A 56 1.673 15.236 -1.222 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.375 16.889 -2.339 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.889 14.251 -3.164 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.336 15.059 -4.121 1.00 0.00 H new ATOM 748 N CYS A 57 -1.121 14.148 -0.769 1.00 0.00 N ATOM 749 CA CYS A 57 -2.195 13.301 -0.280 1.00 0.00 C ATOM 750 C CYS A 57 -3.096 14.143 0.626 1.00 0.00 C ATOM 751 O CYS A 57 -2.656 15.145 1.186 1.00 0.00 O ATOM 752 CB CYS A 57 -1.656 12.064 0.441 1.00 0.00 C ATOM 753 SG CYS A 57 -2.130 10.467 -0.317 1.00 0.00 S ATOM 0 H CYS A 57 -0.220 14.000 -0.313 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.777 12.925 -1.121 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.568 12.126 0.475 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.008 12.079 1.472 1.00 0.00 H new ATOM 758 N PRO A 58 -4.374 13.692 0.744 1.00 0.00 N ATOM 759 CA PRO A 58 -5.340 14.393 1.573 1.00 0.00 C ATOM 760 C PRO A 58 -5.076 14.138 3.058 1.00 0.00 C ATOM 761 O PRO A 58 -5.960 13.678 3.780 1.00 0.00 O ATOM 762 CB PRO A 58 -6.696 13.880 1.114 1.00 0.00 C ATOM 763 CG PRO A 58 -6.422 12.580 0.376 1.00 0.00 C ATOM 764 CD PRO A 58 -4.930 12.509 0.095 1.00 0.00 C ATOM 0 HA PRO A 58 -5.280 15.476 1.465 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.359 13.715 1.963 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.187 14.603 0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.738 11.727 0.976 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.988 12.543 -0.555 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.494 11.595 0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.728 12.513 -0.976 1.00 0.00 H new ATOM 772 N ASN A 59 -3.856 14.449 3.471 1.00 0.00 N ATOM 773 CA ASN A 59 -3.464 14.259 4.857 1.00 0.00 C ATOM 774 C ASN A 59 -3.782 15.529 5.650 1.00 0.00 C ATOM 775 O ASN A 59 -3.988 16.593 5.069 1.00 0.00 O ATOM 776 CB ASN A 59 -1.962 13.993 4.974 1.00 0.00 C ATOM 777 CG ASN A 59 -1.517 12.918 3.979 1.00 0.00 C ATOM 778 OD1 ASN A 59 -0.628 13.343 3.086 1.00 0.00 O flip ATOM 779 ND2 ASN A 59 -1.953 11.779 4.020 1.00 0.00 N flip ATOM 0 H ASN A 59 -3.126 14.831 2.870 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.013 13.403 5.248 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.410 14.915 4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.723 13.676 5.989 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.635 11.519 4.733 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.636 11.087 3.341 1.00 0.00 H new ATOM 786 N ALA A 60 -3.811 15.374 6.966 1.00 0.00 N ATOM 787 CA ALA A 60 -4.101 16.494 7.845 1.00 0.00 C ATOM 788 C ALA A 60 -2.950 17.500 7.777 1.00 0.00 C ATOM 789 O ALA A 60 -3.175 18.695 7.589 1.00 0.00 O ATOM 790 CB ALA A 60 -4.342 15.980 9.265 1.00 0.00 C ATOM 0 H ALA A 60 -3.638 14.490 7.444 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.008 17.007 7.526 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.559 16.820 9.924 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.187 15.291 9.264 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.452 15.461 9.620 1.00 0.00 H new TER 796 ALA A 60