USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 427 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 57 ASN : amide:sc= -0.415 K(o=-1,f=-1.7!) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -125:sc= -0.583 (180deg=-1.16!) USER MOD Set 2.1: A 15 CYS SG : rot 151:sc= -2.08 USER MOD Set 2.2: A 18 HIS : no HD1:sc= -4.02! C(o=-12!,f=-15!) USER MOD Set 2.3: A 34 CYS SG : rot -127:sc= -0.288 USER MOD Set 2.4: A 37 CYS SG : rot -85:sc= -5.47! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0369 USER MOD Single : A 5 SER OG : rot -113:sc= 0.643 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.037) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -20.674 7.468 -13.607 1.00 0.00 N ATOM 2 CA ALA A 2 -19.667 8.557 -13.520 1.00 0.00 C ATOM 3 C ALA A 2 -18.267 8.036 -13.825 1.00 0.00 C ATOM 4 O ALA A 2 -17.563 7.560 -12.934 1.00 0.00 O ATOM 5 CB ALA A 2 -19.702 9.198 -12.140 1.00 0.00 C ATOM 0 HA ALA A 2 -19.918 9.310 -14.267 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.959 9.994 -12.090 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.693 9.614 -11.957 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.479 8.446 -11.384 1.00 0.00 H new ATOM 10 N SER A 3 -17.869 8.128 -15.090 1.00 0.00 N ATOM 11 CA SER A 3 -16.552 7.664 -15.513 1.00 0.00 C ATOM 12 C SER A 3 -15.573 8.828 -15.617 1.00 0.00 C ATOM 13 O SER A 3 -14.666 8.816 -16.448 1.00 0.00 O ATOM 14 CB SER A 3 -16.651 6.941 -16.857 1.00 0.00 C ATOM 15 OG SER A 3 -17.184 5.639 -16.699 1.00 0.00 O ATOM 0 H SER A 3 -18.439 8.519 -15.840 1.00 0.00 H new ATOM 0 HA SER A 3 -16.180 6.968 -14.761 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.281 7.515 -17.536 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.663 6.880 -17.314 1.00 0.00 H new ATOM 0 HG SER A 3 -17.238 5.199 -17.573 1.00 0.00 H new ATOM 21 N THR A 4 -15.765 9.835 -14.771 1.00 0.00 N ATOM 22 CA THR A 4 -14.899 11.008 -14.769 1.00 0.00 C ATOM 23 C THR A 4 -13.779 10.856 -13.745 1.00 0.00 C ATOM 24 O THR A 4 -12.664 11.335 -13.953 1.00 0.00 O ATOM 25 CB THR A 4 -15.713 12.268 -14.469 1.00 0.00 C ATOM 26 OG1 THR A 4 -16.773 11.978 -13.575 1.00 0.00 O ATOM 27 CG2 THR A 4 -16.314 12.899 -15.706 1.00 0.00 C ATOM 0 H THR A 4 -16.513 9.862 -14.078 1.00 0.00 H new ATOM 0 HA THR A 4 -14.451 11.100 -15.759 1.00 0.00 H new ATOM 0 HB THR A 4 -15.007 12.972 -14.029 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.281 12.796 -13.394 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.878 13.788 -15.424 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.517 13.179 -16.395 1.00 0.00 H new ATOM 0 HG23 THR A 4 -16.980 12.186 -16.191 1.00 0.00 H new ATOM 35 N SER A 5 -14.084 10.186 -12.638 1.00 0.00 N ATOM 36 CA SER A 5 -13.102 9.970 -11.581 1.00 0.00 C ATOM 37 C SER A 5 -11.967 9.074 -12.067 1.00 0.00 C ATOM 38 O SER A 5 -12.182 8.159 -12.863 1.00 0.00 O ATOM 39 CB SER A 5 -13.772 9.345 -10.356 1.00 0.00 C ATOM 40 OG SER A 5 -12.829 9.107 -9.324 1.00 0.00 O ATOM 0 H SER A 5 -15.002 9.784 -12.450 1.00 0.00 H new ATOM 0 HA SER A 5 -12.683 10.938 -11.304 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.557 10.007 -9.990 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.251 8.408 -10.638 1.00 0.00 H new ATOM 0 HG SER A 5 -12.731 8.142 -9.186 1.00 0.00 H new ATOM 46 N ARG A 6 -10.758 9.344 -11.584 1.00 0.00 N ATOM 47 CA ARG A 6 -9.589 8.563 -11.970 1.00 0.00 C ATOM 48 C ARG A 6 -9.663 7.151 -11.396 1.00 0.00 C ATOM 49 O ARG A 6 -9.453 6.168 -12.109 1.00 0.00 O ATOM 50 CB ARG A 6 -8.309 9.254 -11.494 1.00 0.00 C ATOM 51 CG ARG A 6 -7.177 9.201 -12.506 1.00 0.00 C ATOM 52 CD ARG A 6 -5.828 9.034 -11.827 1.00 0.00 C ATOM 53 NE ARG A 6 -4.822 8.483 -12.734 1.00 0.00 N ATOM 54 CZ ARG A 6 -4.175 9.203 -13.648 1.00 0.00 C ATOM 55 NH1 ARG A 6 -4.424 10.499 -13.781 1.00 0.00 N ATOM 56 NH2 ARG A 6 -3.277 8.622 -14.433 1.00 0.00 N ATOM 0 H ARG A 6 -10.563 10.098 -10.925 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.573 8.492 -13.058 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.532 10.296 -11.265 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.978 8.788 -10.566 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.343 8.373 -13.196 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.176 10.115 -13.100 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.489 10.000 -11.453 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.936 8.378 -10.963 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.603 7.489 -12.662 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.115 10.950 -13.181 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.925 11.045 -14.483 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.083 7.625 -14.336 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.780 9.172 -15.134 1.00 0.00 H new ATOM 70 N LEU A 7 -9.965 7.056 -10.106 1.00 0.00 N ATOM 71 CA LEU A 7 -10.068 5.765 -9.437 1.00 0.00 C ATOM 72 C LEU A 7 -11.233 5.754 -8.454 1.00 0.00 C ATOM 73 O LEU A 7 -11.785 6.802 -8.119 1.00 0.00 O ATOM 74 CB LEU A 7 -8.762 5.440 -8.706 1.00 0.00 C ATOM 75 CG LEU A 7 -7.574 5.119 -9.619 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.458 6.134 -9.427 1.00 0.00 C ATOM 77 CD2 LEU A 7 -7.062 3.708 -9.355 1.00 0.00 C ATOM 0 H LEU A 7 -10.143 7.859 -9.502 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.250 5.003 -10.195 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.497 6.287 -8.073 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.934 4.590 -8.046 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.914 5.175 -10.653 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.625 5.887 -10.085 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.827 7.131 -9.668 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.121 6.113 -8.391 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.218 3.498 -10.013 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.742 3.626 -8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.859 2.990 -9.547 1.00 0.00 H new ATOM 89 N ASP A 8 -11.605 4.561 -7.995 1.00 0.00 N ATOM 90 CA ASP A 8 -12.710 4.418 -7.051 1.00 0.00 C ATOM 91 C ASP A 8 -12.212 3.922 -5.697 1.00 0.00 C ATOM 92 O ASP A 8 -12.367 4.602 -4.682 1.00 0.00 O ATOM 93 CB ASP A 8 -13.769 3.458 -7.604 1.00 0.00 C ATOM 94 CG ASP A 8 -13.163 2.292 -8.363 1.00 0.00 C ATOM 95 OD1 ASP A 8 -12.594 2.524 -9.451 1.00 0.00 O ATOM 96 OD2 ASP A 8 -13.260 1.147 -7.870 1.00 0.00 O ATOM 0 H ASP A 8 -11.159 3.683 -8.260 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.161 5.401 -6.913 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.373 3.076 -6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.441 4.006 -8.264 1.00 0.00 H new ATOM 101 N ALA A 9 -11.614 2.734 -5.684 1.00 0.00 N ATOM 102 CA ALA A 9 -11.101 2.155 -4.450 1.00 0.00 C ATOM 103 C ALA A 9 -10.318 0.874 -4.719 1.00 0.00 C ATOM 104 O ALA A 9 -10.394 -0.085 -3.950 1.00 0.00 O ATOM 105 CB ALA A 9 -12.242 1.883 -3.480 1.00 0.00 C ATOM 0 H ALA A 9 -11.474 2.156 -6.513 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.418 2.876 -4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.844 1.450 -2.562 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.753 2.817 -3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.947 1.186 -3.934 1.00 0.00 H new ATOM 111 N LEU A 10 -9.559 0.864 -5.812 1.00 0.00 N ATOM 112 CA LEU A 10 -8.760 -0.301 -6.175 1.00 0.00 C ATOM 113 C LEU A 10 -9.648 -1.515 -6.448 1.00 0.00 C ATOM 114 O LEU A 10 -10.837 -1.510 -6.124 1.00 0.00 O ATOM 115 CB LEU A 10 -7.764 -0.622 -5.055 1.00 0.00 C ATOM 116 CG LEU A 10 -6.307 -0.272 -5.361 1.00 0.00 C ATOM 117 CD1 LEU A 10 -6.023 1.181 -5.013 1.00 0.00 C ATOM 118 CD2 LEU A 10 -5.370 -1.197 -4.601 1.00 0.00 C ATOM 0 H LEU A 10 -9.481 1.648 -6.460 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.214 -0.067 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.068 -0.087 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.826 -1.687 -4.829 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.135 -0.408 -6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.982 1.412 -5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.673 1.830 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.210 1.344 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.337 -0.936 -4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.543 -1.091 -3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.557 -2.229 -4.898 1.00 0.00 H new ATOM 130 N PRO A 11 -9.079 -2.579 -7.047 1.00 0.00 N ATOM 131 CA PRO A 11 -9.821 -3.808 -7.359 1.00 0.00 C ATOM 132 C PRO A 11 -10.448 -4.430 -6.112 1.00 0.00 C ATOM 133 O PRO A 11 -10.673 -3.742 -5.118 1.00 0.00 O ATOM 134 CB PRO A 11 -8.756 -4.739 -7.958 1.00 0.00 C ATOM 135 CG PRO A 11 -7.446 -4.149 -7.564 1.00 0.00 C ATOM 136 CD PRO A 11 -7.671 -2.671 -7.463 1.00 0.00 C ATOM 0 HA PRO A 11 -10.655 -3.621 -8.035 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.861 -5.754 -7.574 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.850 -4.797 -9.042 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.105 -4.557 -6.613 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.678 -4.377 -8.303 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.004 -2.210 -6.735 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.498 -2.170 -8.416 1.00 0.00 H new ATOM 144 N ARG A 12 -10.735 -5.731 -6.171 1.00 0.00 N ATOM 145 CA ARG A 12 -11.341 -6.443 -5.044 1.00 0.00 C ATOM 146 C ARG A 12 -10.638 -6.093 -3.725 1.00 0.00 C ATOM 147 O ARG A 12 -10.888 -5.034 -3.153 1.00 0.00 O ATOM 148 CB ARG A 12 -11.308 -7.954 -5.295 1.00 0.00 C ATOM 149 CG ARG A 12 -12.336 -8.426 -6.309 1.00 0.00 C ATOM 150 CD ARG A 12 -11.854 -8.214 -7.735 1.00 0.00 C ATOM 151 NE ARG A 12 -12.454 -7.031 -8.347 1.00 0.00 N ATOM 152 CZ ARG A 12 -13.752 -6.913 -8.615 1.00 0.00 C ATOM 153 NH1 ARG A 12 -14.590 -7.904 -8.327 1.00 0.00 N ATOM 154 NH2 ARG A 12 -14.216 -5.805 -9.175 1.00 0.00 N ATOM 0 H ARG A 12 -10.557 -6.314 -6.989 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.380 -6.126 -4.958 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.313 -8.234 -5.641 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.475 -8.474 -4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.547 -9.483 -6.149 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.272 -7.888 -6.157 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.769 -8.113 -7.739 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.095 -9.093 -8.333 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.842 -6.250 -8.583 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.239 -8.760 -7.898 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.584 -7.808 -8.535 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.578 -5.042 -9.401 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.211 -5.715 -9.380 1.00 0.00 H new ATOM 168 N VAL A 13 -9.759 -6.978 -3.245 1.00 0.00 N ATOM 169 CA VAL A 13 -9.033 -6.732 -1.998 1.00 0.00 C ATOM 170 C VAL A 13 -8.232 -7.958 -1.543 1.00 0.00 C ATOM 171 O VAL A 13 -7.895 -8.077 -0.365 1.00 0.00 O ATOM 172 CB VAL A 13 -9.989 -6.314 -0.854 1.00 0.00 C ATOM 173 CG1 VAL A 13 -10.945 -7.446 -0.508 1.00 0.00 C ATOM 174 CG2 VAL A 13 -9.201 -5.875 0.373 1.00 0.00 C ATOM 0 H VAL A 13 -9.535 -7.864 -3.698 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.342 -5.917 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.581 -5.466 -1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -11.607 -7.130 0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.539 -7.702 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.375 -8.318 -0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.892 -5.586 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.577 -6.699 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.569 -5.025 0.115 1.00 0.00 H new ATOM 184 N THR A 14 -7.931 -8.871 -2.465 1.00 0.00 N ATOM 185 CA THR A 14 -7.176 -10.069 -2.111 1.00 0.00 C ATOM 186 C THR A 14 -6.633 -10.775 -3.351 1.00 0.00 C ATOM 187 O THR A 14 -6.989 -10.440 -4.480 1.00 0.00 O ATOM 188 CB THR A 14 -8.059 -11.031 -1.315 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.400 -10.972 -1.770 1.00 0.00 O ATOM 190 CG2 THR A 14 -8.067 -10.748 0.172 1.00 0.00 C ATOM 0 H THR A 14 -8.194 -8.806 -3.448 1.00 0.00 H new ATOM 0 HA THR A 14 -6.329 -9.759 -1.499 1.00 0.00 H new ATOM 0 HB THR A 14 -7.628 -12.019 -1.477 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.949 -11.595 -1.250 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.713 -11.467 0.676 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.054 -10.834 0.564 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.440 -9.739 0.348 1.00 0.00 H new ATOM 198 N CYS A 15 -5.764 -11.753 -3.119 1.00 0.00 N ATOM 199 CA CYS A 15 -5.152 -12.524 -4.199 1.00 0.00 C ATOM 200 C CYS A 15 -6.199 -13.341 -4.957 1.00 0.00 C ATOM 201 O CYS A 15 -7.079 -13.951 -4.349 1.00 0.00 O ATOM 202 CB CYS A 15 -4.087 -13.455 -3.623 1.00 0.00 C ATOM 203 SG CYS A 15 -3.235 -14.472 -4.849 1.00 0.00 S ATOM 0 H CYS A 15 -5.465 -12.033 -2.185 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.693 -11.827 -4.900 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.348 -12.856 -3.091 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.555 -14.110 -2.888 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.031 -14.734 -4.435 1.00 0.00 H new ATOM 209 N PRO A 16 -6.113 -13.370 -6.300 1.00 0.00 N ATOM 210 CA PRO A 16 -7.055 -14.126 -7.133 1.00 0.00 C ATOM 211 C PRO A 16 -6.971 -15.625 -6.867 1.00 0.00 C ATOM 212 O PRO A 16 -7.959 -16.349 -6.995 1.00 0.00 O ATOM 213 CB PRO A 16 -6.606 -13.810 -8.564 1.00 0.00 C ATOM 214 CG PRO A 16 -5.184 -13.387 -8.432 1.00 0.00 C ATOM 215 CD PRO A 16 -5.093 -12.681 -7.110 1.00 0.00 C ATOM 0 HA PRO A 16 -8.091 -13.852 -6.933 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.701 -14.683 -9.210 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.214 -13.020 -9.004 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.515 -14.247 -8.464 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.894 -12.727 -9.250 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.099 -12.771 -6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.304 -11.616 -7.205 1.00 0.00 H new ATOM 223 N ASN A 17 -5.780 -16.082 -6.496 1.00 0.00 N ATOM 224 CA ASN A 17 -5.556 -17.490 -6.204 1.00 0.00 C ATOM 225 C ASN A 17 -5.648 -17.756 -4.705 1.00 0.00 C ATOM 226 O ASN A 17 -5.757 -18.903 -4.274 1.00 0.00 O ATOM 227 CB ASN A 17 -4.191 -17.935 -6.733 1.00 0.00 C ATOM 228 CG ASN A 17 -4.249 -18.392 -8.178 1.00 0.00 C ATOM 229 OD1 ASN A 17 -3.515 -17.890 -9.029 1.00 0.00 O ATOM 230 ND2 ASN A 17 -5.125 -19.348 -8.461 1.00 0.00 N ATOM 0 H ASN A 17 -4.953 -15.494 -6.391 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.334 -18.066 -6.705 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.484 -17.110 -6.644 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.812 -18.748 -6.113 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.210 -19.696 -9.416 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.713 -19.735 -7.723 1.00 0.00 H new ATOM 237 N HIS A 18 -5.606 -16.687 -3.913 1.00 0.00 N ATOM 238 CA HIS A 18 -5.688 -16.811 -2.466 1.00 0.00 C ATOM 239 C HIS A 18 -6.727 -15.854 -1.893 1.00 0.00 C ATOM 240 O HIS A 18 -6.398 -14.739 -1.489 1.00 0.00 O ATOM 241 CB HIS A 18 -4.331 -16.524 -1.832 1.00 0.00 C ATOM 242 CG HIS A 18 -3.291 -17.544 -2.149 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.099 -17.232 -2.761 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.258 -18.872 -1.912 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.370 -18.327 -2.888 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.052 -19.338 -2.381 1.00 0.00 N ATOM 0 H HIS A 18 -5.516 -15.729 -4.251 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.988 -17.833 -2.236 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.983 -15.547 -2.168 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.451 -16.465 -0.750 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.033 -19.459 -1.442 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.386 -18.385 -3.330 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.736 -20.307 -2.343 1.00 0.00 H new ATOM 255 N PRO A 19 -7.998 -16.277 -1.843 1.00 0.00 N ATOM 256 CA PRO A 19 -9.076 -15.446 -1.306 1.00 0.00 C ATOM 257 C PRO A 19 -8.877 -15.143 0.175 1.00 0.00 C ATOM 258 O PRO A 19 -9.000 -13.998 0.606 1.00 0.00 O ATOM 259 CB PRO A 19 -10.334 -16.299 -1.517 1.00 0.00 C ATOM 260 CG PRO A 19 -9.835 -17.697 -1.648 1.00 0.00 C ATOM 261 CD PRO A 19 -8.484 -17.594 -2.294 1.00 0.00 C ATOM 0 HA PRO A 19 -9.126 -14.474 -1.797 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.022 -16.203 -0.677 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.876 -15.988 -2.410 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.766 -18.180 -0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.513 -18.298 -2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.822 -18.399 -1.975 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.551 -17.649 -3.381 1.00 0.00 H new ATOM 269 N ASP A 20 -8.580 -16.183 0.952 1.00 0.00 N ATOM 270 CA ASP A 20 -8.378 -16.033 2.388 1.00 0.00 C ATOM 271 C ASP A 20 -7.020 -15.411 2.719 1.00 0.00 C ATOM 272 O ASP A 20 -6.771 -15.039 3.865 1.00 0.00 O ATOM 273 CB ASP A 20 -8.506 -17.391 3.079 1.00 0.00 C ATOM 274 CG ASP A 20 -9.950 -17.771 3.341 1.00 0.00 C ATOM 275 OD1 ASP A 20 -10.826 -17.346 2.559 1.00 0.00 O ATOM 276 OD2 ASP A 20 -10.205 -18.491 4.328 1.00 0.00 O ATOM 0 H ASP A 20 -8.474 -17.138 0.609 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.149 -15.356 2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.038 -18.156 2.460 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.962 -17.368 4.023 1.00 0.00 H new ATOM 281 N ALA A 21 -6.142 -15.287 1.724 1.00 0.00 N ATOM 282 CA ALA A 21 -4.827 -14.694 1.956 1.00 0.00 C ATOM 283 C ALA A 21 -4.767 -13.264 1.429 1.00 0.00 C ATOM 284 O ALA A 21 -4.702 -13.026 0.223 1.00 0.00 O ATOM 285 CB ALA A 21 -3.736 -15.553 1.343 1.00 0.00 C ATOM 0 H ALA A 21 -6.314 -15.584 0.764 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.659 -14.653 3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.765 -15.094 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.759 -16.546 1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.900 -15.637 0.269 1.00 0.00 H new ATOM 291 N ILE A 22 -4.788 -12.322 2.362 1.00 0.00 N ATOM 292 CA ILE A 22 -4.733 -10.905 2.028 1.00 0.00 C ATOM 293 C ILE A 22 -3.294 -10.465 1.802 1.00 0.00 C ATOM 294 O ILE A 22 -2.437 -10.663 2.663 1.00 0.00 O ATOM 295 CB ILE A 22 -5.358 -10.036 3.137 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.689 -10.637 3.597 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.558 -8.612 2.643 1.00 0.00 C ATOM 298 CD1 ILE A 22 -7.350 -9.858 4.713 1.00 0.00 C ATOM 0 H ILE A 22 -4.843 -12.515 3.362 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.308 -10.768 1.112 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.677 -10.013 3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.369 -10.686 2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.520 -11.661 3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.000 -8.010 3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.595 -8.187 2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.222 -8.617 1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.288 -10.341 4.988 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.688 -9.830 5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.551 -8.841 4.377 1.00 0.00 H new ATOM 310 N LEU A 23 -3.026 -9.856 0.645 1.00 0.00 N ATOM 311 CA LEU A 23 -1.686 -9.387 0.340 1.00 0.00 C ATOM 312 C LEU A 23 -1.292 -8.303 1.326 1.00 0.00 C ATOM 313 O LEU A 23 -2.043 -7.371 1.579 1.00 0.00 O ATOM 314 CB LEU A 23 -1.612 -8.839 -1.088 1.00 0.00 C ATOM 315 CG LEU A 23 -1.175 -9.839 -2.161 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.376 -10.614 -2.678 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.465 -9.117 -3.299 1.00 0.00 C ATOM 0 H LEU A 23 -3.716 -9.680 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.997 -10.227 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.593 -8.449 -1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.920 -7.997 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.475 -10.548 -1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.051 -11.322 -3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.841 -11.156 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.098 -9.921 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.160 -9.841 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.142 -8.389 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.415 -8.604 -2.911 1.00 0.00 H new ATOM 329 N VAL A 24 -0.125 -8.425 1.901 1.00 0.00 N ATOM 330 CA VAL A 24 0.313 -7.444 2.861 1.00 0.00 C ATOM 331 C VAL A 24 1.030 -6.303 2.175 1.00 0.00 C ATOM 332 O VAL A 24 1.519 -6.438 1.057 1.00 0.00 O ATOM 333 CB VAL A 24 1.190 -8.085 3.935 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.415 -7.126 5.095 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.531 -9.371 4.401 1.00 0.00 C ATOM 0 H VAL A 24 0.533 -9.184 1.725 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.568 -7.034 3.355 1.00 0.00 H new ATOM 0 HB VAL A 24 2.170 -8.316 3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.042 -7.605 5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.909 -6.225 4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.456 -6.860 5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.148 -9.839 5.168 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.453 -9.147 4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.424 -10.052 3.557 1.00 0.00 H new ATOM 345 N GLU A 25 1.063 -5.174 2.849 1.00 0.00 N ATOM 346 CA GLU A 25 1.684 -3.993 2.323 1.00 0.00 C ATOM 347 C GLU A 25 3.180 -4.117 2.424 1.00 0.00 C ATOM 348 O GLU A 25 3.748 -4.104 3.515 1.00 0.00 O ATOM 349 CB GLU A 25 1.199 -2.749 3.069 1.00 0.00 C ATOM 350 CG GLU A 25 -0.276 -2.447 2.859 1.00 0.00 C ATOM 351 CD GLU A 25 -0.529 -1.587 1.638 1.00 0.00 C ATOM 352 OE1 GLU A 25 0.153 -1.796 0.612 1.00 0.00 O ATOM 353 OE2 GLU A 25 -1.409 -0.703 1.706 1.00 0.00 O ATOM 0 H GLU A 25 0.658 -5.056 3.778 1.00 0.00 H new ATOM 0 HA GLU A 25 1.406 -3.888 1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.386 -2.879 4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.786 -1.890 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.824 -3.384 2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.668 -1.942 3.742 1.00 0.00 H new ATOM 360 N ASP A 26 3.792 -4.235 1.260 1.00 0.00 N ATOM 361 CA ASP A 26 5.230 -4.358 1.105 1.00 0.00 C ATOM 362 C ASP A 26 5.640 -5.765 0.681 1.00 0.00 C ATOM 363 O ASP A 26 4.805 -6.649 0.518 1.00 0.00 O ATOM 364 CB ASP A 26 5.999 -3.940 2.354 1.00 0.00 C ATOM 365 CG ASP A 26 5.721 -2.503 2.755 1.00 0.00 C ATOM 366 OD1 ASP A 26 4.893 -1.848 2.088 1.00 0.00 O ATOM 367 OD2 ASP A 26 6.334 -2.034 3.738 1.00 0.00 O ATOM 0 H ASP A 26 3.289 -4.248 0.373 1.00 0.00 H new ATOM 0 HA ASP A 26 5.498 -3.665 0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.733 -4.602 3.179 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.067 -4.064 2.177 1.00 0.00 H new ATOM 372 N TYR A 27 6.944 -5.945 0.506 1.00 0.00 N ATOM 373 CA TYR A 27 7.525 -7.220 0.098 1.00 0.00 C ATOM 374 C TYR A 27 9.026 -7.061 -0.011 1.00 0.00 C ATOM 375 O TYR A 27 9.551 -6.797 -1.091 1.00 0.00 O ATOM 376 CB TYR A 27 6.972 -7.677 -1.256 1.00 0.00 C ATOM 377 CG TYR A 27 7.890 -8.620 -2.014 1.00 0.00 C ATOM 378 CD1 TYR A 27 8.130 -9.910 -1.558 1.00 0.00 C ATOM 379 CD2 TYR A 27 8.521 -8.211 -3.183 1.00 0.00 C ATOM 380 CE1 TYR A 27 8.969 -10.767 -2.245 1.00 0.00 C ATOM 381 CE2 TYR A 27 9.362 -9.062 -3.876 1.00 0.00 C ATOM 382 CZ TYR A 27 9.582 -10.338 -3.404 1.00 0.00 C ATOM 383 OH TYR A 27 10.418 -11.188 -4.090 1.00 0.00 O ATOM 0 H TYR A 27 7.633 -5.206 0.644 1.00 0.00 H new ATOM 0 HA TYR A 27 7.268 -7.971 0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.013 -8.170 -1.097 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.780 -6.799 -1.873 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.653 -10.249 -0.651 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.352 -7.212 -3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.144 -11.767 -1.876 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.844 -8.728 -4.783 1.00 0.00 H new ATOM 0 HH TYR A 27 10.768 -10.733 -4.884 1.00 0.00 H new ATOM 393 N ARG A 28 9.723 -7.192 1.109 1.00 0.00 N ATOM 394 CA ARG A 28 11.165 -7.031 1.095 1.00 0.00 C ATOM 395 C ARG A 28 11.517 -5.702 0.436 1.00 0.00 C ATOM 396 O ARG A 28 12.506 -5.595 -0.292 1.00 0.00 O ATOM 397 CB ARG A 28 11.801 -8.184 0.322 1.00 0.00 C ATOM 398 CG ARG A 28 11.844 -9.489 1.102 1.00 0.00 C ATOM 399 CD ARG A 28 13.088 -10.298 0.769 1.00 0.00 C ATOM 400 NE ARG A 28 13.530 -11.113 1.899 1.00 0.00 N ATOM 401 CZ ARG A 28 12.877 -12.184 2.339 1.00 0.00 C ATOM 402 NH1 ARG A 28 11.753 -12.575 1.749 1.00 0.00 N ATOM 403 NH2 ARG A 28 13.347 -12.869 3.373 1.00 0.00 N ATOM 0 H ARG A 28 9.320 -7.405 2.022 1.00 0.00 H new ATOM 0 HA ARG A 28 11.546 -7.037 2.116 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.245 -8.341 -0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.816 -7.905 0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.823 -9.276 2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.955 -10.078 0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.883 -10.943 -0.085 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.891 -9.623 0.473 1.00 0.00 H new ATOM 0 HE ARG A 28 14.390 -10.844 2.378 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.386 -12.053 0.953 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.257 -13.398 2.091 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.210 -12.574 3.831 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.846 -13.691 3.711 1.00 0.00 H new ATOM 417 N ALA A 29 10.666 -4.703 0.676 1.00 0.00 N ATOM 418 CA ALA A 29 10.826 -3.371 0.094 1.00 0.00 C ATOM 419 C ALA A 29 10.180 -3.330 -1.286 1.00 0.00 C ATOM 420 O ALA A 29 10.778 -2.856 -2.253 1.00 0.00 O ATOM 421 CB ALA A 29 12.295 -2.973 0.016 1.00 0.00 C ATOM 0 H ALA A 29 9.848 -4.795 1.278 1.00 0.00 H new ATOM 0 HA ALA A 29 10.327 -2.650 0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.380 -1.978 -0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.724 -2.967 1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.833 -3.689 -0.605 1.00 0.00 H new ATOM 427 N GLY A 30 8.954 -3.846 -1.370 1.00 0.00 N ATOM 428 CA GLY A 30 8.245 -3.879 -2.637 1.00 0.00 C ATOM 429 C GLY A 30 6.804 -3.400 -2.536 1.00 0.00 C ATOM 430 O GLY A 30 6.504 -2.442 -1.823 1.00 0.00 O ATOM 0 H GLY A 30 8.441 -4.241 -0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.777 -3.259 -3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.255 -4.898 -3.024 1.00 0.00 H new ATOM 434 N ASP A 31 5.918 -4.072 -3.271 1.00 0.00 N ATOM 435 CA ASP A 31 4.494 -3.729 -3.296 1.00 0.00 C ATOM 436 C ASP A 31 3.719 -4.527 -2.240 1.00 0.00 C ATOM 437 O ASP A 31 4.082 -4.514 -1.081 1.00 0.00 O ATOM 438 CB ASP A 31 3.935 -3.953 -4.707 1.00 0.00 C ATOM 439 CG ASP A 31 4.916 -3.557 -5.793 1.00 0.00 C ATOM 440 OD1 ASP A 31 5.895 -2.848 -5.481 1.00 0.00 O ATOM 441 OD2 ASP A 31 4.706 -3.959 -6.957 1.00 0.00 O ATOM 0 H ASP A 31 6.164 -4.865 -3.863 1.00 0.00 H new ATOM 0 HA ASP A 31 4.374 -2.675 -3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.671 -5.004 -4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.016 -3.378 -4.825 1.00 0.00 H new ATOM 446 N MET A 32 2.655 -5.217 -2.643 1.00 0.00 N ATOM 447 CA MET A 32 1.847 -6.004 -1.727 1.00 0.00 C ATOM 448 C MET A 32 2.176 -7.488 -1.864 1.00 0.00 C ATOM 449 O MET A 32 2.091 -8.055 -2.943 1.00 0.00 O ATOM 450 CB MET A 32 0.391 -5.757 -2.049 1.00 0.00 C ATOM 451 CG MET A 32 -0.112 -4.397 -1.593 1.00 0.00 C ATOM 452 SD MET A 32 -1.426 -3.754 -2.647 1.00 0.00 S ATOM 453 CE MET A 32 -2.854 -4.000 -1.593 1.00 0.00 C ATOM 0 H MET A 32 2.333 -5.244 -3.610 1.00 0.00 H new ATOM 0 HA MET A 32 2.058 -5.710 -0.699 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.246 -5.846 -3.126 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.213 -6.534 -1.580 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.478 -4.474 -0.569 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.719 -3.691 -1.583 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.750 -3.650 -2.106 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.958 -5.060 -1.363 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.724 -3.440 -0.667 1.00 0.00 H new ATOM 463 N ILE A 33 2.612 -8.091 -0.784 1.00 0.00 N ATOM 464 CA ILE A 33 3.038 -9.478 -0.780 1.00 0.00 C ATOM 465 C ILE A 33 1.962 -10.432 -0.243 1.00 0.00 C ATOM 466 O ILE A 33 1.499 -10.282 0.883 1.00 0.00 O ATOM 467 CB ILE A 33 4.307 -9.529 0.104 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.238 -10.679 -0.247 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.934 -9.576 1.570 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.608 -12.026 -0.068 1.00 0.00 C ATOM 0 H ILE A 33 2.683 -7.634 0.125 1.00 0.00 H new ATOM 0 HA ILE A 33 3.232 -9.813 -1.799 1.00 0.00 H new ATOM 0 HB ILE A 33 4.860 -8.612 -0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.563 -10.572 -1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.131 -10.617 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.840 -9.611 2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.360 -8.686 1.828 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.333 -10.464 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.326 -12.802 -0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.308 -12.152 0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.731 -12.106 -0.710 1.00 0.00 H new ATOM 482 N CYS A 34 1.595 -11.447 -1.032 1.00 0.00 N ATOM 483 CA CYS A 34 0.617 -12.427 -0.571 1.00 0.00 C ATOM 484 C CYS A 34 1.360 -13.526 0.179 1.00 0.00 C ATOM 485 O CYS A 34 1.968 -14.385 -0.443 1.00 0.00 O ATOM 486 CB CYS A 34 -0.152 -13.038 -1.739 1.00 0.00 C ATOM 487 SG CYS A 34 -1.450 -14.196 -1.243 1.00 0.00 S ATOM 0 H CYS A 34 1.954 -11.607 -1.973 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.104 -11.931 0.079 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.600 -12.235 -2.325 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.551 -13.555 -2.392 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.292 -15.321 -1.875 1.00 0.00 H new ATOM 493 N PRO A 35 1.311 -13.525 1.522 1.00 0.00 N ATOM 494 CA PRO A 35 2.012 -14.510 2.355 1.00 0.00 C ATOM 495 C PRO A 35 1.949 -15.935 1.818 1.00 0.00 C ATOM 496 O PRO A 35 2.750 -16.787 2.200 1.00 0.00 O ATOM 497 CB PRO A 35 1.304 -14.413 3.716 1.00 0.00 C ATOM 498 CG PRO A 35 0.210 -13.405 3.552 1.00 0.00 C ATOM 499 CD PRO A 35 0.551 -12.582 2.342 1.00 0.00 C ATOM 0 HA PRO A 35 3.079 -14.291 2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.899 -15.381 4.013 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.001 -14.106 4.496 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.753 -13.898 3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.130 -12.775 4.438 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.342 -12.226 1.829 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.141 -11.703 2.602 1.00 0.00 H new ATOM 507 N GLU A 36 0.974 -16.196 0.977 1.00 0.00 N ATOM 508 CA GLU A 36 0.766 -17.525 0.432 1.00 0.00 C ATOM 509 C GLU A 36 1.620 -17.772 -0.799 1.00 0.00 C ATOM 510 O GLU A 36 2.548 -18.578 -0.769 1.00 0.00 O ATOM 511 CB GLU A 36 -0.708 -17.695 0.095 1.00 0.00 C ATOM 512 CG GLU A 36 -1.575 -17.956 1.312 1.00 0.00 C ATOM 513 CD GLU A 36 -1.666 -19.424 1.657 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.611 -20.044 1.908 1.00 0.00 O ATOM 515 OE2 GLU A 36 -2.796 -19.953 1.677 1.00 0.00 O ATOM 0 H GLU A 36 0.304 -15.499 0.651 1.00 0.00 H new ATOM 0 HA GLU A 36 1.066 -18.257 1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.064 -16.797 -0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.820 -18.522 -0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.171 -17.411 2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.577 -17.567 1.130 1.00 0.00 H new ATOM 522 N CYS A 37 1.338 -17.046 -1.864 1.00 0.00 N ATOM 523 CA CYS A 37 2.123 -17.178 -3.086 1.00 0.00 C ATOM 524 C CYS A 37 3.263 -16.198 -3.007 1.00 0.00 C ATOM 525 O CYS A 37 4.261 -16.312 -3.710 1.00 0.00 O ATOM 526 CB CYS A 37 1.288 -16.909 -4.343 1.00 0.00 C ATOM 527 SG CYS A 37 0.206 -15.467 -4.226 1.00 0.00 S ATOM 0 H CYS A 37 0.581 -16.365 -1.913 1.00 0.00 H new ATOM 0 HA CYS A 37 2.487 -18.202 -3.165 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.961 -16.775 -5.190 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.680 -17.788 -4.555 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.908 -15.806 -3.649 1.00 0.00 H new ATOM 533 N GLY A 38 3.074 -15.231 -2.126 1.00 0.00 N ATOM 534 CA GLY A 38 4.035 -14.198 -1.901 1.00 0.00 C ATOM 535 C GLY A 38 4.176 -13.286 -3.093 1.00 0.00 C ATOM 536 O GLY A 38 5.244 -12.736 -3.364 1.00 0.00 O ATOM 0 H GLY A 38 2.237 -15.152 -1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.740 -13.613 -1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.002 -14.646 -1.672 1.00 0.00 H new ATOM 540 N LEU A 39 3.070 -13.145 -3.806 1.00 0.00 N ATOM 541 CA LEU A 39 2.999 -12.318 -4.997 1.00 0.00 C ATOM 542 C LEU A 39 3.063 -10.838 -4.636 1.00 0.00 C ATOM 543 O LEU A 39 2.637 -10.440 -3.553 1.00 0.00 O ATOM 544 CB LEU A 39 1.697 -12.609 -5.730 1.00 0.00 C ATOM 545 CG LEU A 39 0.519 -11.753 -5.270 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.303 -10.621 -6.241 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.742 -12.576 -5.118 1.00 0.00 C ATOM 0 H LEU A 39 2.190 -13.605 -3.572 1.00 0.00 H new ATOM 0 HA LEU A 39 3.850 -12.551 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.851 -12.453 -6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.443 -13.660 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 39 0.757 -11.343 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.538 -10.013 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.201 -10.005 -6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.090 -11.026 -7.230 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.559 -11.933 -4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.999 -13.028 -6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.578 -13.360 -4.379 1.00 0.00 H new ATOM 559 N VAL A 40 3.616 -10.038 -5.541 1.00 0.00 N ATOM 560 CA VAL A 40 3.760 -8.617 -5.314 1.00 0.00 C ATOM 561 C VAL A 40 2.892 -7.808 -6.258 1.00 0.00 C ATOM 562 O VAL A 40 2.972 -7.963 -7.477 1.00 0.00 O ATOM 563 CB VAL A 40 5.226 -8.184 -5.485 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.411 -6.733 -5.081 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.141 -9.092 -4.681 1.00 0.00 C ATOM 0 H VAL A 40 3.972 -10.358 -6.442 1.00 0.00 H new ATOM 0 HA VAL A 40 3.437 -8.425 -4.291 1.00 0.00 H new ATOM 0 HB VAL A 40 5.492 -8.273 -6.538 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.456 -6.450 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.783 -6.098 -5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.128 -6.607 -4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.175 -8.774 -4.811 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.874 -9.035 -3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.031 -10.119 -5.028 1.00 0.00 H new ATOM 575 N VAL A 41 2.081 -6.922 -5.693 1.00 0.00 N ATOM 576 CA VAL A 41 1.226 -6.066 -6.499 1.00 0.00 C ATOM 577 C VAL A 41 1.271 -4.635 -5.984 1.00 0.00 C ATOM 578 O VAL A 41 1.057 -4.388 -4.797 1.00 0.00 O ATOM 579 CB VAL A 41 -0.253 -6.508 -6.497 1.00 0.00 C ATOM 580 CG1 VAL A 41 -1.108 -5.533 -7.295 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.408 -7.913 -7.039 1.00 0.00 C ATOM 0 H VAL A 41 1.999 -6.779 -4.686 1.00 0.00 H new ATOM 0 HA VAL A 41 1.613 -6.140 -7.515 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.597 -6.506 -5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.147 -5.864 -7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.037 -4.540 -6.852 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.753 -5.497 -8.325 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.461 -8.195 -7.024 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.036 -7.951 -8.063 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.162 -8.607 -6.420 1.00 0.00 H new ATOM 591 N GLY A 42 1.534 -3.694 -6.877 1.00 0.00 N ATOM 592 CA GLY A 42 1.584 -2.307 -6.486 1.00 0.00 C ATOM 593 C GLY A 42 2.791 -1.605 -7.052 1.00 0.00 C ATOM 594 O GLY A 42 3.425 -2.107 -7.977 1.00 0.00 O ATOM 0 H GLY A 42 1.713 -3.869 -7.866 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.679 -1.802 -6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.601 -2.237 -5.398 1.00 0.00 H new ATOM 598 N ASP A 43 3.106 -0.442 -6.492 1.00 0.00 N ATOM 599 CA ASP A 43 4.245 0.359 -6.931 1.00 0.00 C ATOM 600 C ASP A 43 3.811 1.380 -7.980 1.00 0.00 C ATOM 601 O ASP A 43 4.333 1.403 -9.094 1.00 0.00 O ATOM 602 CB ASP A 43 5.374 -0.513 -7.493 1.00 0.00 C ATOM 603 CG ASP A 43 6.747 0.071 -7.221 1.00 0.00 C ATOM 604 OD1 ASP A 43 7.253 -0.103 -6.093 1.00 0.00 O ATOM 605 OD2 ASP A 43 7.315 0.704 -8.136 1.00 0.00 O ATOM 0 H ASP A 43 2.580 -0.028 -5.722 1.00 0.00 H new ATOM 0 HA ASP A 43 4.627 0.882 -6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.313 -1.509 -7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.238 -0.629 -8.568 1.00 0.00 H new ATOM 610 N ARG A 44 2.844 2.220 -7.617 1.00 0.00 N ATOM 611 CA ARG A 44 2.335 3.237 -8.531 1.00 0.00 C ATOM 612 C ARG A 44 2.943 4.603 -8.230 1.00 0.00 C ATOM 613 O ARG A 44 3.080 4.992 -7.070 1.00 0.00 O ATOM 614 CB ARG A 44 0.809 3.317 -8.439 1.00 0.00 C ATOM 615 CG ARG A 44 0.135 3.631 -9.765 1.00 0.00 C ATOM 616 CD ARG A 44 -0.999 4.628 -9.593 1.00 0.00 C ATOM 617 NE ARG A 44 -1.340 5.292 -10.850 1.00 0.00 N ATOM 618 CZ ARG A 44 -2.095 4.743 -11.799 1.00 0.00 C ATOM 619 NH1 ARG A 44 -2.588 3.521 -11.640 1.00 0.00 N ATOM 620 NH2 ARG A 44 -2.357 5.418 -12.909 1.00 0.00 N ATOM 0 H ARG A 44 2.399 2.216 -6.699 1.00 0.00 H new ATOM 0 HA ARG A 44 2.620 2.950 -9.543 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.426 2.369 -8.062 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.537 4.082 -7.712 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.871 4.032 -10.462 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.252 2.711 -10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.878 4.114 -9.205 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.715 5.376 -8.853 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.978 6.232 -11.009 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.389 2.998 -10.787 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.166 3.105 -12.370 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.980 6.357 -13.036 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.935 4.998 -13.637 1.00 0.00 H new ATOM 634 N VAL A 45 3.304 5.326 -9.286 1.00 0.00 N ATOM 635 CA VAL A 45 3.897 6.653 -9.146 1.00 0.00 C ATOM 636 C VAL A 45 4.209 7.259 -10.512 1.00 0.00 C ATOM 637 O VAL A 45 3.476 8.119 -10.997 1.00 0.00 O ATOM 638 CB VAL A 45 5.189 6.626 -8.294 1.00 0.00 C ATOM 639 CG1 VAL A 45 4.891 7.034 -6.858 1.00 0.00 C ATOM 640 CG2 VAL A 45 5.848 5.254 -8.342 1.00 0.00 C ATOM 0 H VAL A 45 3.196 5.014 -10.251 1.00 0.00 H new ATOM 0 HA VAL A 45 3.159 7.270 -8.633 1.00 0.00 H new ATOM 0 HB VAL A 45 5.889 7.347 -8.717 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.811 7.009 -6.274 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.480 8.043 -6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.168 6.342 -6.426 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.753 5.264 -7.735 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.158 4.505 -7.953 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.105 5.010 -9.373 1.00 0.00 H new ATOM 650 N ILE A 46 5.305 6.799 -11.120 1.00 0.00 N ATOM 651 CA ILE A 46 5.740 7.276 -12.438 1.00 0.00 C ATOM 652 C ILE A 46 5.533 8.787 -12.601 1.00 0.00 C ATOM 653 O ILE A 46 6.441 9.574 -12.333 1.00 0.00 O ATOM 654 CB ILE A 46 5.042 6.525 -13.608 1.00 0.00 C ATOM 655 CG1 ILE A 46 3.888 5.638 -13.114 1.00 0.00 C ATOM 656 CG2 ILE A 46 6.057 5.682 -14.368 1.00 0.00 C ATOM 657 CD1 ILE A 46 2.532 6.305 -13.196 1.00 0.00 C ATOM 0 H ILE A 46 5.915 6.088 -10.716 1.00 0.00 H new ATOM 0 HA ILE A 46 6.807 7.061 -12.486 1.00 0.00 H new ATOM 0 HB ILE A 46 4.619 7.277 -14.274 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.868 4.721 -13.703 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.080 5.349 -12.080 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.558 5.160 -15.185 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.837 6.328 -14.772 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.504 4.953 -13.692 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.767 5.620 -12.831 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.533 7.207 -12.585 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.318 6.569 -14.232 1.00 0.00 H new ATOM 669 N ASP A 47 4.343 9.186 -13.042 1.00 0.00 N ATOM 670 CA ASP A 47 4.035 10.599 -13.237 1.00 0.00 C ATOM 671 C ASP A 47 2.678 10.949 -12.631 1.00 0.00 C ATOM 672 O ASP A 47 1.635 10.548 -13.148 1.00 0.00 O ATOM 673 CB ASP A 47 4.045 10.945 -14.728 1.00 0.00 C ATOM 674 CG ASP A 47 5.378 11.500 -15.183 1.00 0.00 C ATOM 675 OD1 ASP A 47 6.400 10.799 -15.024 1.00 0.00 O ATOM 676 OD2 ASP A 47 5.403 12.637 -15.699 1.00 0.00 O ATOM 0 H ASP A 47 3.578 8.552 -13.271 1.00 0.00 H new ATOM 0 HA ASP A 47 4.802 11.185 -12.730 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.810 10.052 -15.307 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.261 11.674 -14.934 1.00 0.00 H new ATOM 681 N VAL A 48 2.701 11.698 -11.534 1.00 0.00 N ATOM 682 CA VAL A 48 1.472 12.102 -10.858 1.00 0.00 C ATOM 683 C VAL A 48 1.168 13.576 -11.109 1.00 0.00 C ATOM 684 O VAL A 48 2.079 14.398 -11.212 1.00 0.00 O ATOM 685 CB VAL A 48 1.557 11.856 -9.340 1.00 0.00 C ATOM 686 CG1 VAL A 48 0.187 12.002 -8.695 1.00 0.00 C ATOM 687 CG2 VAL A 48 2.145 10.482 -9.054 1.00 0.00 C ATOM 0 H VAL A 48 3.556 12.038 -11.094 1.00 0.00 H new ATOM 0 HA VAL A 48 0.668 11.492 -11.270 1.00 0.00 H new ATOM 0 HB VAL A 48 2.218 12.607 -8.906 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.269 11.824 -7.623 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.191 13.010 -8.868 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.500 11.277 -9.132 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.197 10.326 -7.977 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.513 9.715 -9.501 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.147 10.419 -9.479 1.00 0.00 H new ATOM 697 N GLY A 49 -0.116 13.903 -11.207 1.00 0.00 N ATOM 698 CA GLY A 49 -0.518 15.278 -11.444 1.00 0.00 C ATOM 699 C GLY A 49 0.035 16.235 -10.406 1.00 0.00 C ATOM 700 O GLY A 49 0.532 15.811 -9.363 1.00 0.00 O ATOM 0 H GLY A 49 -0.887 13.240 -11.126 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.180 15.586 -12.433 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.606 15.339 -11.446 1.00 0.00 H new ATOM 704 N SER A 50 -0.052 17.530 -10.693 1.00 0.00 N ATOM 705 CA SER A 50 0.444 18.551 -9.776 1.00 0.00 C ATOM 706 C SER A 50 -0.700 19.181 -8.989 1.00 0.00 C ATOM 707 O SER A 50 -0.740 20.395 -8.793 1.00 0.00 O ATOM 708 CB SER A 50 1.203 19.632 -10.550 1.00 0.00 C ATOM 709 OG SER A 50 2.185 20.248 -9.734 1.00 0.00 O ATOM 0 H SER A 50 -0.461 17.897 -11.552 1.00 0.00 H new ATOM 0 HA SER A 50 1.123 18.072 -9.070 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.678 19.191 -11.426 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.502 20.384 -10.912 1.00 0.00 H new ATOM 0 HG SER A 50 2.657 20.934 -10.251 1.00 0.00 H new ATOM 715 N GLU A 51 -1.631 18.345 -8.536 1.00 0.00 N ATOM 716 CA GLU A 51 -2.777 18.818 -7.766 1.00 0.00 C ATOM 717 C GLU A 51 -2.426 18.976 -6.287 1.00 0.00 C ATOM 718 O GLU A 51 -3.196 19.551 -5.518 1.00 0.00 O ATOM 719 CB GLU A 51 -3.952 17.851 -7.922 1.00 0.00 C ATOM 720 CG GLU A 51 -4.410 17.677 -9.362 1.00 0.00 C ATOM 721 CD GLU A 51 -5.917 17.557 -9.484 1.00 0.00 C ATOM 722 OE1 GLU A 51 -6.566 17.191 -8.482 1.00 0.00 O ATOM 723 OE2 GLU A 51 -6.446 17.831 -10.581 1.00 0.00 O ATOM 0 H GLU A 51 -1.614 17.337 -8.689 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.060 19.796 -8.154 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.667 16.879 -7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.789 18.210 -7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.068 18.526 -9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.943 16.787 -9.783 1.00 0.00 H new ATOM 730 N TRP A 52 -1.259 18.457 -5.895 1.00 0.00 N ATOM 731 CA TRP A 52 -0.795 18.535 -4.508 1.00 0.00 C ATOM 732 C TRP A 52 -1.611 17.633 -3.578 1.00 0.00 C ATOM 733 O TRP A 52 -1.341 17.571 -2.379 1.00 0.00 O ATOM 734 CB TRP A 52 -0.837 19.981 -4.001 1.00 0.00 C ATOM 735 CG TRP A 52 0.433 20.744 -4.240 1.00 0.00 C ATOM 736 CD1 TRP A 52 1.654 20.230 -4.577 1.00 0.00 C ATOM 737 CD2 TRP A 52 0.605 22.164 -4.161 1.00 0.00 C ATOM 738 NE1 TRP A 52 2.572 21.244 -4.710 1.00 0.00 N ATOM 739 CE2 TRP A 52 1.952 22.439 -4.460 1.00 0.00 C ATOM 740 CE3 TRP A 52 -0.252 23.229 -3.866 1.00 0.00 C ATOM 741 CZ2 TRP A 52 2.463 23.735 -4.471 1.00 0.00 C ATOM 742 CZ3 TRP A 52 0.256 24.515 -3.879 1.00 0.00 C ATOM 743 CH2 TRP A 52 1.602 24.758 -4.180 1.00 0.00 C ATOM 0 H TRP A 52 -0.615 17.976 -6.523 1.00 0.00 H new ATOM 0 HA TRP A 52 0.236 18.181 -4.498 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.661 20.503 -4.488 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.051 19.975 -2.932 1.00 0.00 H new ATOM 0 HD1 TRP A 52 1.866 19.180 -4.718 1.00 0.00 H new ATOM 0 HE1 TRP A 52 3.555 21.126 -4.955 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -1.291 23.050 -3.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.501 23.925 -4.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -0.396 25.346 -3.653 1.00 0.00 H new ATOM 0 HH2 TRP A 52 1.968 25.774 -4.183 1.00 0.00 H new ATOM 754 N ARG A 53 -2.598 16.924 -4.129 1.00 0.00 N ATOM 755 CA ARG A 53 -3.437 16.021 -3.342 1.00 0.00 C ATOM 756 C ARG A 53 -3.901 16.668 -2.037 1.00 0.00 C ATOM 757 O ARG A 53 -3.164 16.702 -1.052 1.00 0.00 O ATOM 758 CB ARG A 53 -2.676 14.729 -3.039 1.00 0.00 C ATOM 759 CG ARG A 53 -3.524 13.477 -3.177 1.00 0.00 C ATOM 760 CD ARG A 53 -4.401 13.261 -1.954 1.00 0.00 C ATOM 761 NE ARG A 53 -5.122 11.993 -2.014 1.00 0.00 N ATOM 762 CZ ARG A 53 -5.928 11.552 -1.050 1.00 0.00 C ATOM 763 NH1 ARG A 53 -6.115 12.273 0.048 1.00 0.00 N ATOM 764 NH2 ARG A 53 -6.547 10.387 -1.185 1.00 0.00 N ATOM 0 H ARG A 53 -2.836 16.959 -5.120 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.323 15.795 -3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.821 14.655 -3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.280 14.780 -2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.150 13.556 -4.066 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.877 12.612 -3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.783 13.284 -1.056 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.115 14.080 -1.871 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.001 11.411 -2.843 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.640 13.169 0.157 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.733 11.931 0.784 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.406 9.829 -2.027 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.164 10.049 -0.447 1.00 0.00 H new ATOM 778 N THR A 54 -5.133 17.169 -2.033 1.00 0.00 N ATOM 779 CA THR A 54 -5.696 17.803 -0.846 1.00 0.00 C ATOM 780 C THR A 54 -6.456 16.788 0.002 1.00 0.00 C ATOM 781 O THR A 54 -6.871 15.741 -0.492 1.00 0.00 O ATOM 782 CB THR A 54 -6.626 18.950 -1.245 1.00 0.00 C ATOM 783 OG1 THR A 54 -6.275 19.460 -2.520 1.00 0.00 O ATOM 784 CG2 THR A 54 -6.605 20.106 -0.268 1.00 0.00 C ATOM 0 H THR A 54 -5.760 17.148 -2.838 1.00 0.00 H new ATOM 0 HA THR A 54 -4.873 18.203 -0.253 1.00 0.00 H new ATOM 0 HB THR A 54 -7.627 18.520 -1.253 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.882 20.191 -2.758 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.286 20.885 -0.611 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.919 19.757 0.716 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.595 20.510 -0.204 1.00 0.00 H new ATOM 792 N PHE A 55 -6.635 17.103 1.283 1.00 0.00 N ATOM 793 CA PHE A 55 -7.346 16.213 2.195 1.00 0.00 C ATOM 794 C PHE A 55 -8.173 17.007 3.203 1.00 0.00 C ATOM 795 O PHE A 55 -7.698 17.340 4.288 1.00 0.00 O ATOM 796 CB PHE A 55 -6.365 15.295 2.934 1.00 0.00 C ATOM 797 CG PHE A 55 -4.976 15.858 3.070 1.00 0.00 C ATOM 798 CD1 PHE A 55 -4.781 17.177 3.448 1.00 0.00 C ATOM 799 CD2 PHE A 55 -3.868 15.065 2.820 1.00 0.00 C ATOM 800 CE1 PHE A 55 -3.505 17.694 3.573 1.00 0.00 C ATOM 801 CE2 PHE A 55 -2.589 15.577 2.943 1.00 0.00 C ATOM 802 CZ PHE A 55 -2.409 16.893 3.320 1.00 0.00 C ATOM 0 H PHE A 55 -6.298 17.965 1.711 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.021 15.600 1.598 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.759 15.086 3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.309 14.343 2.407 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.635 17.808 3.647 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.004 14.035 2.526 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.365 18.723 3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.733 14.949 2.745 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.412 17.296 3.417 1.00 0.00 H new ATOM 812 N SER A 56 -9.416 17.302 2.838 1.00 0.00 N ATOM 813 CA SER A 56 -10.314 18.053 3.711 1.00 0.00 C ATOM 814 C SER A 56 -9.749 19.437 4.014 1.00 0.00 C ATOM 815 O SER A 56 -8.648 19.779 3.582 1.00 0.00 O ATOM 816 CB SER A 56 -10.548 17.288 5.014 1.00 0.00 C ATOM 817 OG SER A 56 -11.474 16.233 4.828 1.00 0.00 O ATOM 0 H SER A 56 -9.826 17.033 1.944 1.00 0.00 H new ATOM 0 HA SER A 56 -11.265 18.176 3.193 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.602 16.886 5.378 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.919 17.971 5.778 1.00 0.00 H new ATOM 0 HG SER A 56 -11.604 15.759 5.676 1.00 0.00 H new ATOM 823 N ASN A 57 -10.512 20.229 4.761 1.00 0.00 N ATOM 824 CA ASN A 57 -10.090 21.576 5.125 1.00 0.00 C ATOM 825 C ASN A 57 -10.979 22.145 6.226 1.00 0.00 C ATOM 826 O ASN A 57 -11.961 21.523 6.629 1.00 0.00 O ATOM 827 CB ASN A 57 -10.125 22.493 3.901 1.00 0.00 C ATOM 828 CG ASN A 57 -9.031 23.542 3.934 1.00 0.00 C ATOM 829 OD1 ASN A 57 -7.936 23.299 4.440 1.00 0.00 O ATOM 830 ND2 ASN A 57 -9.323 24.719 3.393 1.00 0.00 N ATOM 0 H ASN A 57 -11.426 19.961 5.126 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.068 21.521 5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.022 21.892 2.997 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.096 22.986 3.847 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -8.626 25.464 3.386 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.244 24.878 2.984 1.00 0.00 H new ATOM 837 N ASP A 58 -10.627 23.335 6.707 1.00 0.00 N ATOM 838 CA ASP A 58 -11.395 23.988 7.760 1.00 0.00 C ATOM 839 C ASP A 58 -12.198 25.159 7.201 1.00 0.00 C ATOM 840 O ASP A 58 -13.287 25.464 7.687 1.00 0.00 O ATOM 841 CB ASP A 58 -10.463 24.475 8.871 1.00 0.00 C ATOM 842 CG ASP A 58 -11.218 24.904 10.113 1.00 0.00 C ATOM 843 OD1 ASP A 58 -11.750 24.021 10.819 1.00 0.00 O ATOM 844 OD2 ASP A 58 -11.279 26.122 10.380 1.00 0.00 O ATOM 0 H ASP A 58 -9.817 23.864 6.384 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.092 23.259 8.174 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.765 23.679 9.130 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.870 25.312 8.503 1.00 0.00 H new ATOM 849 N LYS A 59 -11.653 25.809 6.178 1.00 0.00 N ATOM 850 CA LYS A 59 -12.322 26.945 5.552 1.00 0.00 C ATOM 851 C LYS A 59 -13.516 26.482 4.724 1.00 0.00 C ATOM 852 O LYS A 59 -13.552 25.289 4.354 1.00 0.00 O ATOM 853 CB LYS A 59 -11.342 27.718 4.666 1.00 0.00 C ATOM 854 CG LYS A 59 -10.614 28.836 5.397 1.00 0.00 C ATOM 855 CD LYS A 59 -9.126 28.546 5.522 1.00 0.00 C ATOM 856 CE LYS A 59 -8.838 27.597 6.675 1.00 0.00 C ATOM 857 NZ LYS A 59 -8.432 26.248 6.195 1.00 0.00 N ATOM 0 H LYS A 59 -10.752 25.570 5.765 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.682 27.603 6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.608 27.023 4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.885 28.141 3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.759 29.775 4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.045 28.964 6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.759 28.112 4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.584 29.479 5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.047 28.013 7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.725 27.508 7.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.053 25.528 6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.511 26.210 5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.448 26.062 6.474 1.00 0.00 H new TER 871 LYS A 59