USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot 180:sc= -0.173 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.65 USER MOD Single : A 17 ASN : amide:sc= -0.356 K(o=-0.36,f=-2.6!) USER MOD Single : A 18 HIS : no HD1:sc= -48.6! C(o=-49!,f=-45!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 136:sc= -2.85! (180deg=-5.44!) USER MOD Single : A 50 SER OG : rot 61:sc= 0.254 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.249 K(o=-0.25,f=-2.8!) USER MOD Single : A 59 LYS NZ :NH3+ 154:sc= -1.27 (180deg=-2.75!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -24.996 6.357 11.059 1.00 0.00 N ATOM 2 CA ALA A 2 -23.764 6.742 10.325 1.00 0.00 C ATOM 3 C ALA A 2 -22.978 5.508 9.891 1.00 0.00 C ATOM 4 O ALA A 2 -22.613 4.670 10.716 1.00 0.00 O ATOM 5 CB ALA A 2 -22.896 7.645 11.189 1.00 0.00 C ATOM 0 HA ALA A 2 -24.059 7.289 9.429 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -21.996 7.920 10.639 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -23.453 8.546 11.447 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.617 7.117 12.101 1.00 0.00 H new ATOM 10 N SER A 3 -22.722 5.403 8.591 1.00 0.00 N ATOM 11 CA SER A 3 -21.981 4.273 8.047 1.00 0.00 C ATOM 12 C SER A 3 -21.275 4.660 6.750 1.00 0.00 C ATOM 13 O SER A 3 -21.687 4.257 5.662 1.00 0.00 O ATOM 14 CB SER A 3 -22.921 3.092 7.798 1.00 0.00 C ATOM 15 OG SER A 3 -23.668 2.780 8.962 1.00 0.00 O ATOM 0 H SER A 3 -23.017 6.088 7.895 1.00 0.00 H new ATOM 0 HA SER A 3 -21.226 3.979 8.777 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.600 3.330 6.979 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.342 2.221 7.489 1.00 0.00 H new ATOM 0 HG SER A 3 -24.262 2.023 8.776 1.00 0.00 H new ATOM 21 N THR A 4 -20.208 5.443 6.875 1.00 0.00 N ATOM 22 CA THR A 4 -19.445 5.885 5.714 1.00 0.00 C ATOM 23 C THR A 4 -18.379 4.861 5.342 1.00 0.00 C ATOM 24 O THR A 4 -17.450 4.609 6.110 1.00 0.00 O ATOM 25 CB THR A 4 -18.793 7.240 5.993 1.00 0.00 C ATOM 26 OG1 THR A 4 -19.500 7.940 7.001 1.00 0.00 O ATOM 27 CG2 THR A 4 -18.725 8.135 4.775 1.00 0.00 C ATOM 0 H THR A 4 -19.853 5.784 7.768 1.00 0.00 H new ATOM 0 HA THR A 4 -20.133 5.987 4.875 1.00 0.00 H new ATOM 0 HB THR A 4 -17.776 7.009 6.311 1.00 0.00 H new ATOM 0 HG1 THR A 4 -19.066 8.803 7.166 1.00 0.00 H new ATOM 0 HG21 THR A 4 -18.251 9.079 5.043 1.00 0.00 H new ATOM 0 HG22 THR A 4 -18.141 7.645 3.996 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.733 8.326 4.407 1.00 0.00 H new ATOM 35 N SER A 5 -18.519 4.270 4.159 1.00 0.00 N ATOM 36 CA SER A 5 -17.566 3.272 3.687 1.00 0.00 C ATOM 37 C SER A 5 -16.709 3.828 2.554 1.00 0.00 C ATOM 38 O SER A 5 -15.486 3.906 2.670 1.00 0.00 O ATOM 39 CB SER A 5 -18.304 2.015 3.218 1.00 0.00 C ATOM 40 OG SER A 5 -18.235 0.990 4.193 1.00 0.00 O ATOM 0 H SER A 5 -19.282 4.465 3.511 1.00 0.00 H new ATOM 0 HA SER A 5 -16.909 3.011 4.517 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.347 2.257 3.013 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.869 1.662 2.283 1.00 0.00 H new ATOM 0 HG SER A 5 -18.715 0.199 3.870 1.00 0.00 H new ATOM 46 N ARG A 6 -17.357 4.215 1.460 1.00 0.00 N ATOM 47 CA ARG A 6 -16.649 4.763 0.308 1.00 0.00 C ATOM 48 C ARG A 6 -15.664 3.743 -0.256 1.00 0.00 C ATOM 49 O ARG A 6 -15.647 2.586 0.165 1.00 0.00 O ATOM 50 CB ARG A 6 -15.912 6.045 0.704 1.00 0.00 C ATOM 51 CG ARG A 6 -16.720 7.310 0.460 1.00 0.00 C ATOM 52 CD ARG A 6 -16.601 7.778 -0.981 1.00 0.00 C ATOM 53 NE ARG A 6 -17.859 8.328 -1.483 1.00 0.00 N ATOM 54 CZ ARG A 6 -18.335 9.523 -1.142 1.00 0.00 C ATOM 55 NH1 ARG A 6 -17.662 10.297 -0.300 1.00 0.00 N ATOM 56 NH2 ARG A 6 -19.487 9.945 -1.644 1.00 0.00 N ATOM 0 H ARG A 6 -18.369 4.160 1.347 1.00 0.00 H new ATOM 0 HA ARG A 6 -17.380 4.998 -0.465 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.647 5.991 1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -14.979 6.106 0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -17.767 7.125 0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -16.375 8.098 1.129 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.820 8.535 -1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.294 6.942 -1.610 1.00 0.00 H new ATOM 0 HE ARG A 6 -18.404 7.762 -2.133 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -16.775 9.977 0.089 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.031 11.212 -0.042 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -20.008 9.354 -2.291 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -19.852 10.861 -1.383 1.00 0.00 H new ATOM 70 N LEU A 7 -14.844 4.178 -1.211 1.00 0.00 N ATOM 71 CA LEU A 7 -13.854 3.303 -1.835 1.00 0.00 C ATOM 72 C LEU A 7 -13.097 2.489 -0.787 1.00 0.00 C ATOM 73 O LEU A 7 -12.179 2.993 -0.139 1.00 0.00 O ATOM 74 CB LEU A 7 -12.870 4.130 -2.668 1.00 0.00 C ATOM 75 CG LEU A 7 -13.028 3.993 -4.184 1.00 0.00 C ATOM 76 CD1 LEU A 7 -12.811 5.334 -4.867 1.00 0.00 C ATOM 77 CD2 LEU A 7 -12.061 2.953 -4.728 1.00 0.00 C ATOM 0 H LEU A 7 -14.846 5.133 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 7 -14.382 2.608 -2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.984 5.180 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.855 3.840 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.045 3.661 -4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.927 5.217 -5.944 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -13.543 6.052 -4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.806 5.696 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.187 2.868 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.038 3.255 -4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.264 1.989 -4.262 1.00 0.00 H new ATOM 89 N ASP A 8 -13.493 1.230 -0.625 1.00 0.00 N ATOM 90 CA ASP A 8 -12.858 0.347 0.347 1.00 0.00 C ATOM 91 C ASP A 8 -11.939 -0.659 -0.343 1.00 0.00 C ATOM 92 O ASP A 8 -12.244 -1.850 -0.408 1.00 0.00 O ATOM 93 CB ASP A 8 -13.921 -0.390 1.164 1.00 0.00 C ATOM 94 CG ASP A 8 -15.000 -1.005 0.292 1.00 0.00 C ATOM 95 OD1 ASP A 8 -14.656 -1.581 -0.762 1.00 0.00 O ATOM 96 OD2 ASP A 8 -16.189 -0.909 0.663 1.00 0.00 O ATOM 0 H ASP A 8 -14.251 0.799 -1.154 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.253 0.959 1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.444 -1.173 1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.379 0.304 1.869 1.00 0.00 H new ATOM 101 N ALA A 9 -10.813 -0.173 -0.856 1.00 0.00 N ATOM 102 CA ALA A 9 -9.853 -1.034 -1.538 1.00 0.00 C ATOM 103 C ALA A 9 -8.659 -0.235 -2.049 1.00 0.00 C ATOM 104 O ALA A 9 -7.513 -0.580 -1.772 1.00 0.00 O ATOM 105 CB ALA A 9 -10.526 -1.770 -2.688 1.00 0.00 C ATOM 0 H ALA A 9 -10.543 0.810 -0.813 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.486 -1.764 -0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.797 -2.408 -3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.340 -2.383 -2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.923 -1.047 -3.400 1.00 0.00 H new ATOM 111 N LEU A 10 -8.953 0.829 -2.804 1.00 0.00 N ATOM 112 CA LEU A 10 -7.937 1.716 -3.392 1.00 0.00 C ATOM 113 C LEU A 10 -6.523 1.107 -3.378 1.00 0.00 C ATOM 114 O LEU A 10 -6.069 0.592 -4.399 1.00 0.00 O ATOM 115 CB LEU A 10 -7.955 3.081 -2.700 1.00 0.00 C ATOM 116 CG LEU A 10 -8.928 4.098 -3.298 1.00 0.00 C ATOM 117 CD1 LEU A 10 -9.398 5.076 -2.232 1.00 0.00 C ATOM 118 CD2 LEU A 10 -8.278 4.840 -4.455 1.00 0.00 C ATOM 0 H LEU A 10 -9.910 1.103 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.200 1.846 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.206 2.935 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.950 3.501 -2.732 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.797 3.562 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.090 5.792 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.902 4.530 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.539 5.607 -1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.985 5.560 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.392 5.365 -4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.991 4.128 -5.229 1.00 0.00 H new ATOM 130 N PRO A 11 -5.798 1.145 -2.236 1.00 0.00 N ATOM 131 CA PRO A 11 -4.448 0.579 -2.161 1.00 0.00 C ATOM 132 C PRO A 11 -4.456 -0.946 -2.085 1.00 0.00 C ATOM 133 O PRO A 11 -3.812 -1.619 -2.892 1.00 0.00 O ATOM 134 CB PRO A 11 -3.883 1.177 -0.873 1.00 0.00 C ATOM 135 CG PRO A 11 -5.073 1.429 -0.012 1.00 0.00 C ATOM 136 CD PRO A 11 -6.221 1.726 -0.943 1.00 0.00 C ATOM 0 HA PRO A 11 -3.861 0.813 -3.049 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.186 0.491 -0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.337 2.099 -1.072 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.293 0.561 0.610 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.894 2.267 0.662 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.148 1.276 -0.588 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.399 2.798 -1.027 1.00 0.00 H new ATOM 144 N ARG A 12 -5.189 -1.487 -1.113 1.00 0.00 N ATOM 145 CA ARG A 12 -5.286 -2.932 -0.925 1.00 0.00 C ATOM 146 C ARG A 12 -5.955 -3.253 0.411 1.00 0.00 C ATOM 147 O ARG A 12 -6.519 -2.372 1.059 1.00 0.00 O ATOM 148 CB ARG A 12 -3.898 -3.581 -0.991 1.00 0.00 C ATOM 149 CG ARG A 12 -3.655 -4.363 -2.273 1.00 0.00 C ATOM 150 CD ARG A 12 -3.876 -5.853 -2.069 1.00 0.00 C ATOM 151 NE ARG A 12 -5.232 -6.260 -2.432 1.00 0.00 N ATOM 152 CZ ARG A 12 -5.718 -6.202 -3.669 1.00 0.00 C ATOM 153 NH1 ARG A 12 -4.968 -5.747 -4.664 1.00 0.00 N ATOM 154 NH2 ARG A 12 -6.961 -6.599 -3.912 1.00 0.00 N ATOM 0 H ARG A 12 -5.727 -0.941 -0.440 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.897 -3.340 -1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.138 -2.805 -0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.777 -4.249 -0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.322 -3.999 -3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.636 -4.190 -2.618 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.157 -6.412 -2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.688 -6.108 -1.026 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.842 -6.609 -1.693 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.013 -5.439 -4.483 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.347 -5.705 -5.610 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.543 -6.948 -3.151 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.334 -6.555 -4.860 1.00 0.00 H new ATOM 168 N VAL A 13 -5.893 -4.518 0.817 1.00 0.00 N ATOM 169 CA VAL A 13 -6.500 -4.945 2.076 1.00 0.00 C ATOM 170 C VAL A 13 -5.915 -6.273 2.564 1.00 0.00 C ATOM 171 O VAL A 13 -5.860 -6.531 3.767 1.00 0.00 O ATOM 172 CB VAL A 13 -8.030 -5.085 1.932 1.00 0.00 C ATOM 173 CG1 VAL A 13 -8.381 -6.156 0.910 1.00 0.00 C ATOM 174 CG2 VAL A 13 -8.672 -5.388 3.278 1.00 0.00 C ATOM 0 H VAL A 13 -5.431 -5.263 0.296 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.275 -4.174 2.813 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.426 -4.135 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.465 -6.237 0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.961 -5.886 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.970 -7.113 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.751 -5.483 3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.269 -6.321 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.457 -4.578 3.974 1.00 0.00 H new ATOM 184 N THR A 14 -5.474 -7.104 1.626 1.00 0.00 N ATOM 185 CA THR A 14 -4.887 -8.399 1.954 1.00 0.00 C ATOM 186 C THR A 14 -4.260 -9.021 0.714 1.00 0.00 C ATOM 187 O THR A 14 -4.378 -8.480 -0.385 1.00 0.00 O ATOM 188 CB THR A 14 -5.948 -9.334 2.541 1.00 0.00 C ATOM 189 OG1 THR A 14 -7.250 -8.839 2.290 1.00 0.00 O ATOM 190 CG2 THR A 14 -5.811 -9.531 4.035 1.00 0.00 C ATOM 0 H THR A 14 -5.512 -6.903 0.627 1.00 0.00 H new ATOM 0 HA THR A 14 -4.108 -8.249 2.702 1.00 0.00 H new ATOM 0 HB THR A 14 -5.790 -10.293 2.048 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.912 -9.452 2.672 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.593 -10.204 4.387 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.835 -9.962 4.257 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.906 -8.569 4.539 1.00 0.00 H new ATOM 198 N CYS A 15 -3.570 -10.144 0.889 1.00 0.00 N ATOM 199 CA CYS A 15 -2.910 -10.792 -0.235 1.00 0.00 C ATOM 200 C CYS A 15 -3.875 -11.589 -1.106 1.00 0.00 C ATOM 201 O CYS A 15 -4.638 -12.418 -0.612 1.00 0.00 O ATOM 202 CB CYS A 15 -1.767 -11.681 0.231 1.00 0.00 C ATOM 203 SG CYS A 15 -0.267 -11.466 -0.777 1.00 0.00 S ATOM 0 H CYS A 15 -3.455 -10.617 1.785 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.504 -9.989 -0.850 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.537 -11.457 1.273 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.082 -12.724 0.192 1.00 0.00 H new ATOM 208 N PRO A 16 -3.829 -11.356 -2.436 1.00 0.00 N ATOM 209 CA PRO A 16 -4.681 -12.067 -3.391 1.00 0.00 C ATOM 210 C PRO A 16 -4.393 -13.560 -3.380 1.00 0.00 C ATOM 211 O PRO A 16 -5.212 -14.368 -3.819 1.00 0.00 O ATOM 212 CB PRO A 16 -4.308 -11.457 -4.747 1.00 0.00 C ATOM 213 CG PRO A 16 -2.958 -10.862 -4.541 1.00 0.00 C ATOM 214 CD PRO A 16 -2.927 -10.405 -3.111 1.00 0.00 C ATOM 0 HA PRO A 16 -5.740 -11.964 -3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.290 -12.215 -5.530 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.031 -10.700 -5.052 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.174 -11.594 -4.735 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.790 -10.028 -5.222 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.919 -10.443 -2.698 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.275 -9.377 -3.009 1.00 0.00 H new ATOM 222 N ASN A 17 -3.230 -13.921 -2.844 1.00 0.00 N ATOM 223 CA ASN A 17 -2.829 -15.312 -2.732 1.00 0.00 C ATOM 224 C ASN A 17 -2.897 -15.745 -1.270 1.00 0.00 C ATOM 225 O ASN A 17 -2.989 -16.929 -0.955 1.00 0.00 O ATOM 226 CB ASN A 17 -1.412 -15.505 -3.275 1.00 0.00 C ATOM 227 CG ASN A 17 -1.318 -16.658 -4.254 1.00 0.00 C ATOM 228 OD1 ASN A 17 -2.330 -17.128 -4.777 1.00 0.00 O ATOM 229 ND2 ASN A 17 -0.100 -17.122 -4.508 1.00 0.00 N ATOM 0 H ASN A 17 -2.546 -13.259 -2.478 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.509 -15.927 -3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.087 -14.588 -3.766 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.729 -15.681 -2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.025 -17.898 -5.159 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.711 -16.703 -4.052 1.00 0.00 H new ATOM 236 N HIS A 18 -2.986 -14.776 -0.378 1.00 0.00 N ATOM 237 CA HIS A 18 -3.156 -15.075 1.022 1.00 0.00 C ATOM 238 C HIS A 18 -3.955 -13.982 1.689 1.00 0.00 C ATOM 239 O HIS A 18 -3.407 -13.062 2.300 1.00 0.00 O ATOM 240 CB HIS A 18 -1.866 -15.311 1.779 1.00 0.00 C ATOM 241 CG HIS A 18 -0.650 -14.732 1.208 1.00 0.00 C ATOM 242 ND1 HIS A 18 -0.379 -14.685 -0.117 1.00 0.00 N ATOM 243 CD2 HIS A 18 0.297 -14.075 1.868 1.00 0.00 C ATOM 244 CE1 HIS A 18 0.730 -13.981 -0.229 1.00 0.00 C ATOM 245 NE2 HIS A 18 1.169 -13.590 0.954 1.00 0.00 N ATOM 0 H HIS A 18 -2.943 -13.782 -0.601 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.694 -16.022 1.058 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.988 -14.918 2.788 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.719 -16.387 1.872 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.360 -13.951 2.939 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.216 -13.754 -1.166 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.002 -13.032 1.142 1.00 0.00 H new ATOM 253 N PRO A 19 -5.279 -14.107 1.591 1.00 0.00 N ATOM 254 CA PRO A 19 -6.215 -13.167 2.195 1.00 0.00 C ATOM 255 C PRO A 19 -5.974 -13.032 3.694 1.00 0.00 C ATOM 256 O PRO A 19 -6.497 -12.125 4.341 1.00 0.00 O ATOM 257 CB PRO A 19 -7.592 -13.786 1.915 1.00 0.00 C ATOM 258 CG PRO A 19 -7.323 -15.194 1.485 1.00 0.00 C ATOM 259 CD PRO A 19 -5.958 -15.208 0.901 1.00 0.00 C ATOM 0 HA PRO A 19 -6.114 -12.160 1.789 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.221 -13.762 2.805 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.119 -13.233 1.137 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.389 -15.877 2.332 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.061 -15.523 0.753 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.457 -16.160 1.075 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.981 -15.052 -0.178 1.00 0.00 H new ATOM 267 N ASP A 20 -5.162 -13.936 4.236 1.00 0.00 N ATOM 268 CA ASP A 20 -4.831 -13.918 5.646 1.00 0.00 C ATOM 269 C ASP A 20 -3.598 -13.046 5.895 1.00 0.00 C ATOM 270 O ASP A 20 -3.593 -12.213 6.800 1.00 0.00 O ATOM 271 CB ASP A 20 -4.575 -15.339 6.150 1.00 0.00 C ATOM 272 CG ASP A 20 -5.858 -16.067 6.505 1.00 0.00 C ATOM 273 OD1 ASP A 20 -6.535 -16.564 5.579 1.00 0.00 O ATOM 274 OD2 ASP A 20 -6.186 -16.141 7.707 1.00 0.00 O ATOM 0 H ASP A 20 -4.722 -14.692 3.711 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.675 -13.496 6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.041 -15.902 5.385 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.928 -15.300 7.027 1.00 0.00 H new ATOM 279 N ALA A 21 -2.553 -13.247 5.090 1.00 0.00 N ATOM 280 CA ALA A 21 -1.319 -12.475 5.239 1.00 0.00 C ATOM 281 C ALA A 21 -1.472 -11.061 4.702 1.00 0.00 C ATOM 282 O ALA A 21 -1.430 -10.832 3.489 1.00 0.00 O ATOM 283 CB ALA A 21 -0.156 -13.160 4.558 1.00 0.00 C ATOM 0 H ALA A 21 -2.536 -13.932 4.334 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.113 -12.415 6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.745 -12.561 4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.004 -14.145 5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.370 -13.269 3.495 1.00 0.00 H new ATOM 289 N ILE A 22 -1.679 -10.149 5.642 1.00 0.00 N ATOM 290 CA ILE A 22 -1.869 -8.734 5.346 1.00 0.00 C ATOM 291 C ILE A 22 -0.561 -8.064 4.908 1.00 0.00 C ATOM 292 O ILE A 22 0.234 -7.638 5.746 1.00 0.00 O ATOM 293 CB ILE A 22 -2.434 -7.973 6.562 1.00 0.00 C ATOM 294 CG1 ILE A 22 -3.480 -8.822 7.290 1.00 0.00 C ATOM 295 CG2 ILE A 22 -3.038 -6.651 6.116 1.00 0.00 C ATOM 296 CD1 ILE A 22 -2.955 -9.485 8.545 1.00 0.00 C ATOM 0 H ILE A 22 -1.720 -10.370 6.637 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.585 -8.688 4.526 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.618 -7.769 7.255 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.330 -8.192 7.551 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.849 -9.590 6.611 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.434 -6.121 6.982 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.270 -6.043 5.639 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.844 -6.840 5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.750 -10.069 9.008 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.124 -10.142 8.289 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.612 -8.722 9.244 1.00 0.00 H new ATOM 308 N LEU A 23 -0.353 -7.972 3.588 1.00 0.00 N ATOM 309 CA LEU A 23 0.850 -7.346 3.026 1.00 0.00 C ATOM 310 C LEU A 23 1.312 -6.177 3.879 1.00 0.00 C ATOM 311 O LEU A 23 0.496 -5.473 4.462 1.00 0.00 O ATOM 312 CB LEU A 23 0.575 -6.820 1.619 1.00 0.00 C ATOM 313 CG LEU A 23 0.638 -7.855 0.506 1.00 0.00 C ATOM 314 CD1 LEU A 23 -0.747 -8.418 0.226 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.241 -7.241 -0.749 1.00 0.00 C ATOM 0 H LEU A 23 -1.005 -8.325 2.888 1.00 0.00 H new ATOM 0 HA LEU A 23 1.625 -8.112 3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.414 -6.362 1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.294 -6.031 1.398 1.00 0.00 H new ATOM 0 HG LEU A 23 1.278 -8.677 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.685 -9.157 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.137 -8.890 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.413 -7.611 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.281 -7.992 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.625 -6.403 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.249 -6.888 -0.533 1.00 0.00 H new ATOM 327 N VAL A 24 2.608 -5.938 3.943 1.00 0.00 N ATOM 328 CA VAL A 24 3.106 -4.825 4.719 1.00 0.00 C ATOM 329 C VAL A 24 3.412 -3.667 3.836 1.00 0.00 C ATOM 330 O VAL A 24 4.041 -3.810 2.792 1.00 0.00 O ATOM 331 CB VAL A 24 4.354 -5.169 5.501 1.00 0.00 C ATOM 332 CG1 VAL A 24 4.650 -4.077 6.516 1.00 0.00 C ATOM 333 CG2 VAL A 24 4.151 -6.521 6.161 1.00 0.00 C ATOM 0 H VAL A 24 3.324 -6.492 3.473 1.00 0.00 H new ATOM 0 HA VAL A 24 2.315 -4.572 5.426 1.00 0.00 H new ATOM 0 HB VAL A 24 5.218 -5.232 4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.550 -4.334 7.074 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.802 -3.130 5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.810 -3.983 7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.042 -6.786 6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.293 -6.473 6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.972 -7.276 5.396 1.00 0.00 H new ATOM 343 N GLU A 25 2.949 -2.527 4.260 1.00 0.00 N ATOM 344 CA GLU A 25 3.138 -1.331 3.512 1.00 0.00 C ATOM 345 C GLU A 25 4.598 -0.991 3.358 1.00 0.00 C ATOM 346 O GLU A 25 5.129 -0.224 4.133 1.00 0.00 O ATOM 347 CB GLU A 25 2.394 -0.169 4.169 1.00 0.00 C ATOM 348 CG GLU A 25 0.883 -0.330 4.152 1.00 0.00 C ATOM 349 CD GLU A 25 0.165 0.812 4.845 1.00 0.00 C ATOM 350 OE1 GLU A 25 0.818 1.538 5.625 1.00 0.00 O ATOM 351 OE2 GLU A 25 -1.049 0.982 4.606 1.00 0.00 O ATOM 0 H GLU A 25 2.433 -2.406 5.131 1.00 0.00 H new ATOM 0 HA GLU A 25 2.730 -1.501 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.729 -0.070 5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.659 0.757 3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.540 -0.396 3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.616 -1.269 4.637 1.00 0.00 H new ATOM 358 N ASP A 26 5.242 -1.587 2.363 1.00 0.00 N ATOM 359 CA ASP A 26 6.651 -1.329 2.078 1.00 0.00 C ATOM 360 C ASP A 26 7.512 -2.580 2.048 1.00 0.00 C ATOM 361 O ASP A 26 7.864 -3.136 3.087 1.00 0.00 O ATOM 362 CB ASP A 26 7.271 -0.313 3.039 1.00 0.00 C ATOM 363 CG ASP A 26 8.686 0.049 2.643 1.00 0.00 C ATOM 364 OD1 ASP A 26 8.854 0.985 1.834 1.00 0.00 O ATOM 365 OD2 ASP A 26 9.627 -0.602 3.142 1.00 0.00 O ATOM 0 H ASP A 26 4.807 -2.260 1.732 1.00 0.00 H new ATOM 0 HA ASP A 26 6.642 -0.908 1.072 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.658 0.588 3.059 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.270 -0.722 4.049 1.00 0.00 H new ATOM 370 N TYR A 27 7.850 -2.996 0.834 1.00 0.00 N ATOM 371 CA TYR A 27 8.690 -4.166 0.602 1.00 0.00 C ATOM 372 C TYR A 27 10.157 -3.762 0.599 1.00 0.00 C ATOM 373 O TYR A 27 10.651 -3.204 -0.381 1.00 0.00 O ATOM 374 CB TYR A 27 8.322 -4.820 -0.743 1.00 0.00 C ATOM 375 CG TYR A 27 9.494 -5.392 -1.521 1.00 0.00 C ATOM 376 CD1 TYR A 27 10.033 -6.631 -1.195 1.00 0.00 C ATOM 377 CD2 TYR A 27 10.055 -4.693 -2.583 1.00 0.00 C ATOM 378 CE1 TYR A 27 11.097 -7.155 -1.904 1.00 0.00 C ATOM 379 CE2 TYR A 27 11.119 -5.211 -3.297 1.00 0.00 C ATOM 380 CZ TYR A 27 11.636 -6.442 -2.954 1.00 0.00 C ATOM 381 OH TYR A 27 12.695 -6.961 -3.662 1.00 0.00 O ATOM 0 H TYR A 27 7.548 -2.530 -0.022 1.00 0.00 H new ATOM 0 HA TYR A 27 8.523 -4.885 1.404 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.604 -5.619 -0.557 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.820 -4.079 -1.365 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.613 -7.193 -0.374 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.653 -3.728 -2.855 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.505 -8.119 -1.637 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.543 -4.654 -4.119 1.00 0.00 H new ATOM 0 HH TYR A 27 12.954 -6.334 -4.369 1.00 0.00 H new ATOM 391 N ARG A 28 10.853 -4.044 1.695 1.00 0.00 N ATOM 392 CA ARG A 28 12.265 -3.705 1.798 1.00 0.00 C ATOM 393 C ARG A 28 12.505 -2.275 1.319 1.00 0.00 C ATOM 394 O ARG A 28 13.377 -2.021 0.489 1.00 0.00 O ATOM 395 CB ARG A 28 13.095 -4.685 0.966 1.00 0.00 C ATOM 396 CG ARG A 28 12.668 -6.136 1.124 1.00 0.00 C ATOM 397 CD ARG A 28 13.857 -7.080 1.046 1.00 0.00 C ATOM 398 NE ARG A 28 13.741 -8.192 1.987 1.00 0.00 N ATOM 399 CZ ARG A 28 12.806 -9.137 1.906 1.00 0.00 C ATOM 400 NH1 ARG A 28 11.900 -9.101 0.938 1.00 0.00 N ATOM 401 NH2 ARG A 28 12.778 -10.118 2.797 1.00 0.00 N ATOM 0 H ARG A 28 10.465 -4.503 2.519 1.00 0.00 H new ATOM 0 HA ARG A 28 12.569 -3.776 2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.023 -4.407 -0.085 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.143 -4.591 1.249 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.162 -6.265 2.081 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.948 -6.391 0.346 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.942 -7.471 0.032 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.773 -6.526 1.252 1.00 0.00 H new ATOM 0 HE ARG A 28 14.415 -8.248 2.750 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.917 -8.347 0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.186 -9.827 0.880 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.472 -10.149 3.544 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.062 -10.842 2.736 1.00 0.00 H new ATOM 415 N ALA A 29 11.699 -1.350 1.839 1.00 0.00 N ATOM 416 CA ALA A 29 11.784 0.060 1.468 1.00 0.00 C ATOM 417 C ALA A 29 11.043 0.309 0.159 1.00 0.00 C ATOM 418 O ALA A 29 11.461 1.129 -0.659 1.00 0.00 O ATOM 419 CB ALA A 29 13.235 0.513 1.358 1.00 0.00 C ATOM 0 H ALA A 29 10.973 -1.556 2.525 1.00 0.00 H new ATOM 0 HA ALA A 29 11.310 0.647 2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.267 1.567 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.733 0.375 2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.744 -0.078 0.597 1.00 0.00 H new ATOM 425 N GLY A 30 9.940 -0.412 -0.033 1.00 0.00 N ATOM 426 CA GLY A 30 9.153 -0.264 -1.244 1.00 0.00 C ATOM 427 C GLY A 30 7.658 -0.220 -0.974 1.00 0.00 C ATOM 428 O GLY A 30 7.189 0.579 -0.162 1.00 0.00 O ATOM 0 H GLY A 30 9.578 -1.097 0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.452 0.650 -1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.372 -1.093 -1.917 1.00 0.00 H new ATOM 432 N ASP A 31 6.912 -1.069 -1.677 1.00 0.00 N ATOM 433 CA ASP A 31 5.455 -1.119 -1.527 1.00 0.00 C ATOM 434 C ASP A 31 5.008 -2.340 -0.719 1.00 0.00 C ATOM 435 O ASP A 31 5.821 -3.076 -0.169 1.00 0.00 O ATOM 436 CB ASP A 31 4.735 -1.089 -2.887 1.00 0.00 C ATOM 437 CG ASP A 31 5.629 -0.667 -4.046 1.00 0.00 C ATOM 438 OD1 ASP A 31 6.657 -0.001 -3.802 1.00 0.00 O ATOM 439 OD2 ASP A 31 5.290 -0.995 -5.203 1.00 0.00 O ATOM 0 H ASP A 31 7.289 -1.731 -2.355 1.00 0.00 H new ATOM 0 HA ASP A 31 5.173 -0.223 -0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.329 -2.079 -3.095 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.889 -0.405 -2.825 1.00 0.00 H new ATOM 444 N MET A 32 3.695 -2.505 -0.636 1.00 0.00 N ATOM 445 CA MET A 32 3.074 -3.592 0.121 1.00 0.00 C ATOM 446 C MET A 32 3.685 -4.960 -0.191 1.00 0.00 C ATOM 447 O MET A 32 3.478 -5.530 -1.249 1.00 0.00 O ATOM 448 CB MET A 32 1.578 -3.627 -0.144 1.00 0.00 C ATOM 449 CG MET A 32 0.838 -2.416 0.401 1.00 0.00 C ATOM 450 SD MET A 32 -0.272 -2.830 1.761 1.00 0.00 S ATOM 451 CE MET A 32 -1.836 -2.251 1.112 1.00 0.00 C ATOM 0 H MET A 32 3.024 -1.887 -1.093 1.00 0.00 H new ATOM 0 HA MET A 32 3.263 -3.387 1.175 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.409 -3.693 -1.219 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.159 -4.530 0.301 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.562 -1.676 0.741 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.264 -1.954 -0.403 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.609 -2.994 1.309 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.104 -1.311 1.594 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.748 -2.095 0.037 1.00 0.00 H new ATOM 461 N ILE A 33 4.436 -5.473 0.756 1.00 0.00 N ATOM 462 CA ILE A 33 5.083 -6.765 0.624 1.00 0.00 C ATOM 463 C ILE A 33 4.248 -7.834 1.285 1.00 0.00 C ATOM 464 O ILE A 33 3.833 -7.705 2.435 1.00 0.00 O ATOM 465 CB ILE A 33 6.477 -6.707 1.273 1.00 0.00 C ATOM 466 CG1 ILE A 33 7.394 -7.783 0.703 1.00 0.00 C ATOM 467 CG2 ILE A 33 6.370 -6.830 2.781 1.00 0.00 C ATOM 468 CD1 ILE A 33 6.911 -9.180 0.980 1.00 0.00 C ATOM 0 H ILE A 33 4.618 -5.007 1.645 1.00 0.00 H new ATOM 0 HA ILE A 33 5.187 -7.009 -0.433 1.00 0.00 H new ATOM 0 HB ILE A 33 6.918 -5.738 1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.482 -7.643 -0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.392 -7.661 1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.366 -6.787 3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.765 -6.011 3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.902 -7.781 3.036 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.608 -9.898 0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.849 -9.337 2.057 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.925 -9.319 0.536 1.00 0.00 H new ATOM 480 N CYS A 34 4.031 -8.902 0.569 1.00 0.00 N ATOM 481 CA CYS A 34 3.288 -10.005 1.084 1.00 0.00 C ATOM 482 C CYS A 34 4.269 -11.043 1.576 1.00 0.00 C ATOM 483 O CYS A 34 4.796 -11.800 0.777 1.00 0.00 O ATOM 484 CB CYS A 34 2.466 -10.547 -0.041 1.00 0.00 C ATOM 485 SG CYS A 34 1.000 -11.455 0.465 1.00 0.00 S ATOM 0 H CYS A 34 4.366 -9.027 -0.386 1.00 0.00 H new ATOM 0 HA CYS A 34 2.638 -9.716 1.910 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.160 -9.719 -0.681 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.092 -11.203 -0.646 1.00 0.00 H new ATOM 490 N PRO A 35 4.546 -11.087 2.889 1.00 0.00 N ATOM 491 CA PRO A 35 5.517 -12.025 3.457 1.00 0.00 C ATOM 492 C PRO A 35 5.304 -13.473 3.040 1.00 0.00 C ATOM 493 O PRO A 35 6.164 -14.313 3.283 1.00 0.00 O ATOM 494 CB PRO A 35 5.346 -11.874 4.976 1.00 0.00 C ATOM 495 CG PRO A 35 4.115 -11.053 5.170 1.00 0.00 C ATOM 496 CD PRO A 35 3.952 -10.229 3.927 1.00 0.00 C ATOM 0 HA PRO A 35 6.520 -11.792 3.098 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.246 -12.847 5.456 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.214 -11.387 5.420 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.245 -11.690 5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.209 -10.415 6.049 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.904 -10.010 3.721 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.468 -9.272 4.005 1.00 0.00 H new ATOM 504 N GLU A 36 4.210 -13.761 2.360 1.00 0.00 N ATOM 505 CA GLU A 36 3.970 -15.120 1.903 1.00 0.00 C ATOM 506 C GLU A 36 4.382 -15.297 0.455 1.00 0.00 C ATOM 507 O GLU A 36 5.283 -16.073 0.175 1.00 0.00 O ATOM 508 CB GLU A 36 2.539 -15.536 2.134 1.00 0.00 C ATOM 509 CG GLU A 36 2.222 -15.903 3.577 1.00 0.00 C ATOM 510 CD GLU A 36 3.206 -16.894 4.167 1.00 0.00 C ATOM 511 OE1 GLU A 36 3.332 -18.006 3.614 1.00 0.00 O ATOM 512 OE2 GLU A 36 3.850 -16.558 5.182 1.00 0.00 O ATOM 0 H GLU A 36 3.485 -13.087 2.114 1.00 0.00 H new ATOM 0 HA GLU A 36 4.596 -15.783 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.882 -14.724 1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.313 -16.390 1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.219 -14.998 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.218 -16.324 3.627 1.00 0.00 H new ATOM 519 N CYS A 37 3.836 -14.515 -0.464 1.00 0.00 N ATOM 520 CA CYS A 37 4.317 -14.620 -1.832 1.00 0.00 C ATOM 521 C CYS A 37 5.400 -13.589 -1.982 1.00 0.00 C ATOM 522 O CYS A 37 6.331 -13.761 -2.739 1.00 0.00 O ATOM 523 CB CYS A 37 3.236 -14.488 -2.915 1.00 0.00 C ATOM 524 SG CYS A 37 2.127 -13.077 -2.745 1.00 0.00 S ATOM 0 H CYS A 37 3.096 -13.833 -0.301 1.00 0.00 H new ATOM 0 HA CYS A 37 4.693 -15.630 -1.995 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.727 -14.426 -3.886 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.637 -15.399 -2.918 1.00 0.00 H new ATOM 529 N GLY A 38 5.258 -12.525 -1.208 1.00 0.00 N ATOM 530 CA GLY A 38 6.218 -11.453 -1.176 1.00 0.00 C ATOM 531 C GLY A 38 6.053 -10.464 -2.303 1.00 0.00 C ATOM 532 O GLY A 38 7.021 -9.860 -2.762 1.00 0.00 O ATOM 0 H GLY A 38 4.464 -12.388 -0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.131 -10.927 -0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.223 -11.874 -1.217 1.00 0.00 H new ATOM 536 N LEU A 39 4.818 -10.311 -2.751 1.00 0.00 N ATOM 537 CA LEU A 39 4.530 -9.393 -3.840 1.00 0.00 C ATOM 538 C LEU A 39 4.859 -7.983 -3.411 1.00 0.00 C ATOM 539 O LEU A 39 5.669 -7.801 -2.494 1.00 0.00 O ATOM 540 CB LEU A 39 3.084 -9.513 -4.327 1.00 0.00 C ATOM 541 CG LEU A 39 2.033 -8.859 -3.435 1.00 0.00 C ATOM 542 CD1 LEU A 39 1.234 -7.818 -4.208 1.00 0.00 C ATOM 543 CD2 LEU A 39 1.116 -9.920 -2.871 1.00 0.00 C ATOM 0 H LEU A 39 4.006 -10.805 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 39 5.158 -9.659 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.016 -9.072 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.840 -10.570 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 39 2.538 -8.349 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.492 -7.367 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.907 -7.045 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.731 -8.296 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.366 -9.451 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.621 -10.445 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.699 -10.630 -2.284 1.00 0.00 H new ATOM 555 N VAL A 40 4.199 -6.995 -4.018 1.00 0.00 N ATOM 556 CA VAL A 40 4.414 -5.601 -3.683 1.00 0.00 C ATOM 557 C VAL A 40 3.254 -4.759 -4.215 1.00 0.00 C ATOM 558 O VAL A 40 2.959 -4.788 -5.409 1.00 0.00 O ATOM 559 CB VAL A 40 5.744 -5.108 -4.281 1.00 0.00 C ATOM 560 CG1 VAL A 40 5.952 -3.627 -4.021 1.00 0.00 C ATOM 561 CG2 VAL A 40 6.892 -5.919 -3.715 1.00 0.00 C ATOM 0 H VAL A 40 3.506 -7.145 -4.751 1.00 0.00 H new ATOM 0 HA VAL A 40 4.462 -5.499 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 40 5.709 -5.247 -5.362 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.900 -3.311 -4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.138 -3.060 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.967 -3.445 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.831 -5.567 -4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.919 -5.804 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.752 -6.971 -3.965 1.00 0.00 H new ATOM 571 N VAL A 41 2.591 -4.017 -3.331 1.00 0.00 N ATOM 572 CA VAL A 41 1.458 -3.185 -3.738 1.00 0.00 C ATOM 573 C VAL A 41 1.559 -1.780 -3.149 1.00 0.00 C ATOM 574 O VAL A 41 1.919 -1.607 -1.990 1.00 0.00 O ATOM 575 CB VAL A 41 0.088 -3.788 -3.332 1.00 0.00 C ATOM 576 CG1 VAL A 41 -0.931 -3.593 -4.444 1.00 0.00 C ATOM 577 CG2 VAL A 41 0.193 -5.257 -2.974 1.00 0.00 C ATOM 0 H VAL A 41 2.815 -3.974 -2.337 1.00 0.00 H new ATOM 0 HA VAL A 41 1.509 -3.141 -4.826 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.245 -3.256 -2.441 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.886 -4.022 -4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.057 -2.528 -4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.581 -4.089 -5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.791 -5.635 -2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.567 -5.815 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.878 -5.379 -2.135 1.00 0.00 H new ATOM 587 N GLY A 42 1.220 -0.779 -3.954 1.00 0.00 N ATOM 588 CA GLY A 42 1.269 0.584 -3.496 1.00 0.00 C ATOM 589 C GLY A 42 2.393 1.342 -4.147 1.00 0.00 C ATOM 590 O GLY A 42 2.823 1.001 -5.247 1.00 0.00 O ATOM 0 H GLY A 42 0.912 -0.895 -4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.322 1.077 -3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.396 0.601 -2.414 1.00 0.00 H new ATOM 594 N ASP A 43 2.876 2.362 -3.470 1.00 0.00 N ATOM 595 CA ASP A 43 3.961 3.163 -3.996 1.00 0.00 C ATOM 596 C ASP A 43 3.536 3.897 -5.262 1.00 0.00 C ATOM 597 O ASP A 43 3.894 3.503 -6.372 1.00 0.00 O ATOM 598 CB ASP A 43 5.186 2.290 -4.280 1.00 0.00 C ATOM 599 CG ASP A 43 6.387 3.106 -4.716 1.00 0.00 C ATOM 600 OD1 ASP A 43 6.739 4.071 -4.005 1.00 0.00 O ATOM 601 OD2 ASP A 43 6.976 2.780 -5.768 1.00 0.00 O ATOM 0 H ASP A 43 2.535 2.656 -2.555 1.00 0.00 H new ATOM 0 HA ASP A 43 4.225 3.904 -3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.441 1.723 -3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.941 1.566 -5.057 1.00 0.00 H new ATOM 606 N ARG A 44 2.769 4.970 -5.088 1.00 0.00 N ATOM 607 CA ARG A 44 2.295 5.763 -6.215 1.00 0.00 C ATOM 608 C ARG A 44 3.326 6.818 -6.607 1.00 0.00 C ATOM 609 O ARG A 44 3.147 8.007 -6.342 1.00 0.00 O ATOM 610 CB ARG A 44 0.963 6.433 -5.867 1.00 0.00 C ATOM 611 CG ARG A 44 0.395 7.287 -6.989 1.00 0.00 C ATOM 612 CD ARG A 44 -0.705 8.210 -6.488 1.00 0.00 C ATOM 613 NE ARG A 44 -2.007 7.870 -7.059 1.00 0.00 N ATOM 614 CZ ARG A 44 -3.169 8.242 -6.529 1.00 0.00 C ATOM 615 NH1 ARG A 44 -3.200 8.966 -5.417 1.00 0.00 N ATOM 616 NH2 ARG A 44 -4.307 7.891 -7.114 1.00 0.00 N ATOM 0 H ARG A 44 2.463 5.309 -4.176 1.00 0.00 H new ATOM 0 HA ARG A 44 2.146 5.096 -7.064 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.237 5.663 -5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.100 7.055 -4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.193 7.880 -7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.000 6.642 -7.774 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.760 8.152 -5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.456 9.241 -6.740 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.026 7.315 -7.914 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.329 9.241 -4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.095 9.248 -5.017 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.291 7.336 -7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.198 8.176 -6.708 1.00 0.00 H new ATOM 630 N VAL A 45 4.408 6.372 -7.237 1.00 0.00 N ATOM 631 CA VAL A 45 5.471 7.273 -7.665 1.00 0.00 C ATOM 632 C VAL A 45 5.102 7.985 -8.963 1.00 0.00 C ATOM 633 O VAL A 45 4.597 7.369 -9.900 1.00 0.00 O ATOM 634 CB VAL A 45 6.803 6.522 -7.860 1.00 0.00 C ATOM 635 CG1 VAL A 45 6.674 5.464 -8.946 1.00 0.00 C ATOM 636 CG2 VAL A 45 7.924 7.497 -8.187 1.00 0.00 C ATOM 0 H VAL A 45 4.571 5.391 -7.462 1.00 0.00 H new ATOM 0 HA VAL A 45 5.595 8.012 -6.874 1.00 0.00 H new ATOM 0 HB VAL A 45 7.050 6.018 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.626 4.947 -9.066 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.904 4.745 -8.664 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.399 5.940 -9.887 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.856 6.948 -8.321 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.683 8.033 -9.105 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.037 8.209 -7.370 1.00 0.00 H new ATOM 646 N ILE A 46 5.363 9.288 -9.008 1.00 0.00 N ATOM 647 CA ILE A 46 5.063 10.087 -10.189 1.00 0.00 C ATOM 648 C ILE A 46 5.725 11.461 -10.104 1.00 0.00 C ATOM 649 O ILE A 46 6.011 11.956 -9.015 1.00 0.00 O ATOM 650 CB ILE A 46 3.541 10.257 -10.378 1.00 0.00 C ATOM 651 CG1 ILE A 46 3.243 10.977 -11.695 1.00 0.00 C ATOM 652 CG2 ILE A 46 2.935 11.009 -9.202 1.00 0.00 C ATOM 653 CD1 ILE A 46 1.791 10.897 -12.111 1.00 0.00 C ATOM 0 H ILE A 46 5.782 9.812 -8.240 1.00 0.00 H new ATOM 0 HA ILE A 46 5.465 9.553 -11.050 1.00 0.00 H new ATOM 0 HB ILE A 46 3.086 9.268 -10.418 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.528 12.025 -11.600 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.863 10.548 -12.483 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.861 11.118 -9.354 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.116 10.453 -8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.393 11.995 -9.126 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.652 11.429 -13.052 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.506 9.853 -12.239 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.167 11.352 -11.342 1.00 0.00 H new ATOM 665 N ASP A 47 5.972 12.068 -11.262 1.00 0.00 N ATOM 666 CA ASP A 47 6.609 13.380 -11.319 1.00 0.00 C ATOM 667 C ASP A 47 5.800 14.425 -10.555 1.00 0.00 C ATOM 668 O ASP A 47 6.351 15.190 -9.763 1.00 0.00 O ATOM 669 CB ASP A 47 6.783 13.822 -12.774 1.00 0.00 C ATOM 670 CG ASP A 47 7.600 15.094 -12.897 1.00 0.00 C ATOM 671 OD1 ASP A 47 8.684 15.166 -12.281 1.00 0.00 O ATOM 672 OD2 ASP A 47 7.154 16.019 -13.609 1.00 0.00 O ATOM 0 H ASP A 47 5.741 11.672 -12.173 1.00 0.00 H new ATOM 0 HA ASP A 47 7.588 13.295 -10.847 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.269 13.025 -13.337 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.802 13.978 -13.223 1.00 0.00 H new ATOM 677 N VAL A 48 4.494 14.454 -10.801 1.00 0.00 N ATOM 678 CA VAL A 48 3.608 15.409 -10.142 1.00 0.00 C ATOM 679 C VAL A 48 3.865 16.825 -10.641 1.00 0.00 C ATOM 680 O VAL A 48 4.932 17.121 -11.179 1.00 0.00 O ATOM 681 CB VAL A 48 3.774 15.376 -8.608 1.00 0.00 C ATOM 682 CG1 VAL A 48 2.745 16.273 -7.935 1.00 0.00 C ATOM 683 CG2 VAL A 48 3.662 13.951 -8.092 1.00 0.00 C ATOM 0 H VAL A 48 4.024 13.826 -11.453 1.00 0.00 H new ATOM 0 HA VAL A 48 2.588 15.116 -10.390 1.00 0.00 H new ATOM 0 HB VAL A 48 4.766 15.754 -8.362 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.880 16.235 -6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.875 17.299 -8.281 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.742 15.929 -8.188 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.781 13.946 -7.009 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.684 13.546 -8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.440 13.338 -8.546 1.00 0.00 H new ATOM 693 N GLY A 49 2.878 17.700 -10.463 1.00 0.00 N ATOM 694 CA GLY A 49 3.015 19.077 -10.904 1.00 0.00 C ATOM 695 C GLY A 49 4.306 19.717 -10.430 1.00 0.00 C ATOM 696 O GLY A 49 5.349 19.568 -11.069 1.00 0.00 O ATOM 0 H GLY A 49 1.986 17.479 -10.021 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.975 19.111 -11.993 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.169 19.658 -10.536 1.00 0.00 H new ATOM 700 N SER A 50 4.238 20.428 -9.311 1.00 0.00 N ATOM 701 CA SER A 50 5.412 21.091 -8.754 1.00 0.00 C ATOM 702 C SER A 50 5.068 21.799 -7.447 1.00 0.00 C ATOM 703 O SER A 50 4.861 23.012 -7.424 1.00 0.00 O ATOM 704 CB SER A 50 5.983 22.093 -9.760 1.00 0.00 C ATOM 705 OG SER A 50 7.212 21.633 -10.296 1.00 0.00 O ATOM 0 H SER A 50 3.383 20.561 -8.771 1.00 0.00 H new ATOM 0 HA SER A 50 6.164 20.330 -8.545 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.267 22.251 -10.567 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.133 23.057 -9.273 1.00 0.00 H new ATOM 0 HG SER A 50 7.067 20.786 -10.767 1.00 0.00 H new ATOM 711 N GLU A 51 5.010 21.033 -6.362 1.00 0.00 N ATOM 712 CA GLU A 51 4.694 21.589 -5.052 1.00 0.00 C ATOM 713 C GLU A 51 5.964 21.871 -4.254 1.00 0.00 C ATOM 714 O GLU A 51 5.932 21.939 -3.025 1.00 0.00 O ATOM 715 CB GLU A 51 3.792 20.630 -4.273 1.00 0.00 C ATOM 716 CG GLU A 51 2.599 20.132 -5.073 1.00 0.00 C ATOM 717 CD GLU A 51 1.416 19.776 -4.194 1.00 0.00 C ATOM 718 OE1 GLU A 51 1.624 19.102 -3.162 1.00 0.00 O ATOM 719 OE2 GLU A 51 0.281 20.169 -4.536 1.00 0.00 O ATOM 0 H GLU A 51 5.178 20.027 -6.364 1.00 0.00 H new ATOM 0 HA GLU A 51 4.168 22.532 -5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.382 19.774 -3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.433 21.132 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.299 20.899 -5.787 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.894 19.256 -5.651 1.00 0.00 H new ATOM 726 N TRP A 52 7.080 22.035 -4.959 1.00 0.00 N ATOM 727 CA TRP A 52 8.361 22.311 -4.317 1.00 0.00 C ATOM 728 C TRP A 52 8.772 21.162 -3.398 1.00 0.00 C ATOM 729 O TRP A 52 9.576 20.311 -3.777 1.00 0.00 O ATOM 730 CB TRP A 52 8.290 23.620 -3.528 1.00 0.00 C ATOM 731 CG TRP A 52 8.276 24.837 -4.401 1.00 0.00 C ATOM 732 CD1 TRP A 52 8.953 25.013 -5.574 1.00 0.00 C ATOM 733 CD2 TRP A 52 7.551 26.051 -4.171 1.00 0.00 C ATOM 734 NE1 TRP A 52 8.692 26.260 -6.087 1.00 0.00 N ATOM 735 CE2 TRP A 52 7.835 26.917 -5.243 1.00 0.00 C ATOM 736 CE3 TRP A 52 6.688 26.489 -3.161 1.00 0.00 C ATOM 737 CZ2 TRP A 52 7.285 28.193 -5.335 1.00 0.00 C ATOM 738 CZ3 TRP A 52 6.145 27.757 -3.254 1.00 0.00 C ATOM 739 CH2 TRP A 52 6.444 28.595 -4.334 1.00 0.00 C ATOM 0 H TRP A 52 7.123 21.981 -5.977 1.00 0.00 H new ATOM 0 HA TRP A 52 9.116 22.410 -5.097 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.393 23.615 -2.909 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.143 23.676 -2.852 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.599 24.279 -6.032 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.074 26.636 -6.955 1.00 0.00 H new ATOM 0 HE3 TRP A 52 6.450 25.849 -2.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 7.514 28.842 -6.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 5.478 28.107 -2.480 1.00 0.00 H new ATOM 0 HH2 TRP A 52 6.002 29.579 -4.378 1.00 0.00 H new ATOM 750 N ARG A 53 8.218 21.145 -2.189 1.00 0.00 N ATOM 751 CA ARG A 53 8.530 20.100 -1.219 1.00 0.00 C ATOM 752 C ARG A 53 10.029 20.051 -0.936 1.00 0.00 C ATOM 753 O ARG A 53 10.714 19.100 -1.316 1.00 0.00 O ATOM 754 CB ARG A 53 8.049 18.740 -1.731 1.00 0.00 C ATOM 755 CG ARG A 53 7.686 17.767 -0.621 1.00 0.00 C ATOM 756 CD ARG A 53 8.914 17.341 0.169 1.00 0.00 C ATOM 757 NE ARG A 53 8.582 16.388 1.225 1.00 0.00 N ATOM 758 CZ ARG A 53 9.375 16.123 2.262 1.00 0.00 C ATOM 759 NH1 ARG A 53 10.545 16.738 2.384 1.00 0.00 N ATOM 760 NH2 ARG A 53 8.997 15.243 3.178 1.00 0.00 N ATOM 0 H ARG A 53 7.551 21.842 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 53 8.011 20.334 -0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.180 18.889 -2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.829 18.297 -2.350 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.963 18.232 0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.204 16.888 -1.049 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.643 16.894 -0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.385 18.220 0.609 1.00 0.00 H new ATOM 0 HE ARG A 53 7.690 15.896 1.165 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.840 17.417 1.682 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.149 16.532 3.180 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.099 14.768 3.089 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.605 15.040 3.972 1.00 0.00 H new ATOM 774 N THR A 54 10.532 21.082 -0.265 1.00 0.00 N ATOM 775 CA THR A 54 11.950 21.157 0.070 1.00 0.00 C ATOM 776 C THR A 54 12.155 21.113 1.581 1.00 0.00 C ATOM 777 O THR A 54 11.224 20.825 2.335 1.00 0.00 O ATOM 778 CB THR A 54 12.564 22.437 -0.503 1.00 0.00 C ATOM 779 OG1 THR A 54 11.764 22.951 -1.554 1.00 0.00 O ATOM 780 CG2 THR A 54 13.962 22.239 -1.045 1.00 0.00 C ATOM 0 H THR A 54 9.980 21.877 0.057 1.00 0.00 H new ATOM 0 HA THR A 54 12.448 20.294 -0.371 1.00 0.00 H new ATOM 0 HB THR A 54 12.611 23.134 0.334 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.172 23.770 -1.906 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.338 23.185 -1.436 1.00 0.00 H new ATOM 0 HG22 THR A 54 14.616 21.891 -0.246 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.941 21.499 -1.845 1.00 0.00 H new ATOM 788 N PHE A 55 13.376 21.400 2.017 1.00 0.00 N ATOM 789 CA PHE A 55 13.700 21.393 3.440 1.00 0.00 C ATOM 790 C PHE A 55 13.513 22.779 4.046 1.00 0.00 C ATOM 791 O PHE A 55 14.401 23.301 4.721 1.00 0.00 O ATOM 792 CB PHE A 55 15.140 20.913 3.658 1.00 0.00 C ATOM 793 CG PHE A 55 16.132 21.528 2.712 1.00 0.00 C ATOM 794 CD1 PHE A 55 16.741 22.736 3.014 1.00 0.00 C ATOM 795 CD2 PHE A 55 16.457 20.897 1.523 1.00 0.00 C ATOM 796 CE1 PHE A 55 17.654 23.303 2.146 1.00 0.00 C ATOM 797 CE2 PHE A 55 17.369 21.460 0.651 1.00 0.00 C ATOM 798 CZ PHE A 55 17.969 22.665 0.963 1.00 0.00 C ATOM 0 H PHE A 55 14.158 21.640 1.407 1.00 0.00 H new ATOM 0 HA PHE A 55 13.019 20.704 3.939 1.00 0.00 H new ATOM 0 HB2 PHE A 55 15.438 21.140 4.681 1.00 0.00 H new ATOM 0 HB3 PHE A 55 15.172 19.829 3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 55 16.499 23.240 3.938 1.00 0.00 H new ATOM 0 HD2 PHE A 55 15.992 19.954 1.274 1.00 0.00 H new ATOM 0 HE1 PHE A 55 18.121 24.245 2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 55 17.613 20.959 -0.274 1.00 0.00 H new ATOM 0 HZ PHE A 55 18.683 23.107 0.283 1.00 0.00 H new ATOM 808 N SER A 56 12.349 23.373 3.800 1.00 0.00 N ATOM 809 CA SER A 56 12.040 24.700 4.320 1.00 0.00 C ATOM 810 C SER A 56 13.001 25.743 3.756 1.00 0.00 C ATOM 811 O SER A 56 14.168 25.450 3.498 1.00 0.00 O ATOM 812 CB SER A 56 12.106 24.703 5.849 1.00 0.00 C ATOM 813 OG SER A 56 11.174 23.788 6.401 1.00 0.00 O ATOM 0 H SER A 56 11.604 22.955 3.243 1.00 0.00 H new ATOM 0 HA SER A 56 11.028 24.957 4.008 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.113 24.441 6.173 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.901 25.706 6.223 1.00 0.00 H new ATOM 0 HG SER A 56 11.237 23.807 7.379 1.00 0.00 H new ATOM 819 N ASN A 57 12.501 26.960 3.568 1.00 0.00 N ATOM 820 CA ASN A 57 13.315 28.045 3.034 1.00 0.00 C ATOM 821 C ASN A 57 14.515 28.318 3.935 1.00 0.00 C ATOM 822 O ASN A 57 14.360 28.733 5.084 1.00 0.00 O ATOM 823 CB ASN A 57 12.473 29.314 2.884 1.00 0.00 C ATOM 824 CG ASN A 57 12.705 30.006 1.554 1.00 0.00 C ATOM 825 OD1 ASN A 57 13.294 29.435 0.638 1.00 0.00 O ATOM 826 ND2 ASN A 57 12.239 31.246 1.443 1.00 0.00 N ATOM 0 H ASN A 57 11.537 27.219 3.777 1.00 0.00 H new ATOM 0 HA ASN A 57 13.683 27.744 2.053 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.417 29.060 2.979 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.710 30.002 3.695 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.364 31.762 0.572 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.756 31.682 2.229 1.00 0.00 H new ATOM 833 N ASP A 58 15.712 28.082 3.406 1.00 0.00 N ATOM 834 CA ASP A 58 16.940 28.302 4.162 1.00 0.00 C ATOM 835 C ASP A 58 17.038 29.750 4.633 1.00 0.00 C ATOM 836 O ASP A 58 17.620 30.034 5.680 1.00 0.00 O ATOM 837 CB ASP A 58 18.158 27.946 3.308 1.00 0.00 C ATOM 838 CG ASP A 58 19.420 27.798 4.135 1.00 0.00 C ATOM 839 OD1 ASP A 58 20.079 28.825 4.401 1.00 0.00 O ATOM 840 OD2 ASP A 58 19.749 26.655 4.515 1.00 0.00 O ATOM 0 H ASP A 58 15.857 27.738 2.457 1.00 0.00 H new ATOM 0 HA ASP A 58 16.919 27.656 5.040 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.965 27.015 2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.309 28.719 2.555 1.00 0.00 H new ATOM 845 N LYS A 59 16.466 30.661 3.853 1.00 0.00 N ATOM 846 CA LYS A 59 16.489 32.080 4.191 1.00 0.00 C ATOM 847 C LYS A 59 15.091 32.577 4.545 1.00 0.00 C ATOM 848 O LYS A 59 14.127 31.811 4.531 1.00 0.00 O ATOM 849 CB LYS A 59 17.058 32.894 3.025 1.00 0.00 C ATOM 850 CG LYS A 59 18.426 33.491 3.311 1.00 0.00 C ATOM 851 CD LYS A 59 19.509 32.845 2.460 1.00 0.00 C ATOM 852 CE LYS A 59 19.610 31.350 2.720 1.00 0.00 C ATOM 853 NZ LYS A 59 19.315 30.553 1.497 1.00 0.00 N ATOM 0 H LYS A 59 15.981 30.442 2.983 1.00 0.00 H new ATOM 0 HA LYS A 59 17.131 32.212 5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 59 17.127 32.254 2.145 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.364 33.698 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 59 18.403 34.564 3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 59 18.666 33.362 4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 59 19.295 33.018 1.405 1.00 0.00 H new ATOM 0 HD3 LYS A 59 20.468 33.317 2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 59 20.612 31.110 3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.914 31.071 3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.796 29.633 1.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.289 30.403 1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 19.654 31.066 0.658 1.00 0.00 H new TER 867 LYS A 59 HETATM 868 ZN ZN A 61 0.989 -13.402 -0.784 1.00 0.00 ZN