USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 458 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 5 TYR OH : rot -1:sc= 0.0463 USER MOD Set 1.2: A 37 GLN : amide:sc= -1.5 K(o=-1.5,f=-8.4!) USER MOD Single : A 1 VAL N :NH3+ 148:sc= -0.232 (180deg=-0.528) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.6 K(o=-2.6,f=-11!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -2.91 K(o=-2.9,f=-5.5!) USER MOD Single : A 23 ASN : amide:sc= -0.564 X(o=-0.56,f=-0.43) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -93:sc= 0.708 USER MOD Single : A 29 ASN : amide:sc= 0.508 K(o=0.51,f=-2.6!) USER MOD Single : A 33 SER OG : rot 91:sc= 0.0383 USER MOD Single : A 35 TYR OH : rot -60:sc= 0.695 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.369 F(o=-1.3!,f=-0.37) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.018 -0.512 0.175 1.00 41.51 N ATOM 2 CA VAL A 1 2.551 -0.362 -1.174 1.00 53.51 C ATOM 3 C VAL A 1 3.386 0.908 -1.297 1.00 63.30 C ATOM 4 O VAL A 1 3.091 1.921 -0.664 1.00 13.40 O ATOM 5 CB VAL A 1 1.423 -0.324 -2.222 1.00 15.10 C ATOM 6 CG1 VAL A 1 0.849 -1.716 -2.440 1.00 3.20 C ATOM 7 CG2 VAL A 1 0.334 0.650 -1.797 1.00 35.40 C ATOM 0 H1 VAL A 1 1.096 -0.991 0.133 1.00 41.51 H new ATOM 0 H2 VAL A 1 2.676 -1.078 0.747 1.00 41.51 H new ATOM 0 H3 VAL A 1 1.901 0.426 0.608 1.00 41.51 H new ATOM 0 HA VAL A 1 3.184 -1.229 -1.363 1.00 53.51 H new ATOM 0 HB VAL A 1 1.840 0.023 -3.167 1.00 15.10 H new ATOM 0 HG11 VAL A 1 0.053 -1.669 -3.184 1.00 3.20 H new ATOM 0 HG12 VAL A 1 1.636 -2.383 -2.792 1.00 3.20 H new ATOM 0 HG13 VAL A 1 0.446 -2.095 -1.501 1.00 3.20 H new ATOM 0 HG21 VAL A 1 -0.455 0.664 -2.549 1.00 35.40 H new ATOM 0 HG22 VAL A 1 -0.082 0.335 -0.840 1.00 35.40 H new ATOM 0 HG23 VAL A 1 0.758 1.649 -1.697 1.00 35.40 H new ATOM 17 N ARG A 2 4.431 0.845 -2.116 1.00 72.23 N ATOM 18 CA ARG A 2 5.310 1.989 -2.322 1.00 43.21 C ATOM 19 C ARG A 2 5.646 2.158 -3.801 1.00 71.01 C ATOM 20 O ARG A 2 5.719 1.181 -4.547 1.00 22.04 O ATOM 21 CB ARG A 2 6.597 1.823 -1.512 1.00 22.30 C ATOM 22 CG ARG A 2 6.443 0.913 -0.304 1.00 62.44 C ATOM 23 CD ARG A 2 6.644 -0.548 -0.678 1.00 45.41 C ATOM 24 NE ARG A 2 7.643 -1.196 0.168 1.00 72.53 N ATOM 25 CZ ARG A 2 8.952 -1.034 0.016 1.00 43.41 C ATOM 26 NH1 ARG A 2 9.419 -0.247 -0.944 1.00 0.22 N ATOM 27 NH2 ARG A 2 9.798 -1.658 0.826 1.00 61.05 N ATOM 0 H ARG A 2 4.689 0.014 -2.647 1.00 72.23 H new ATOM 0 HA ARG A 2 4.787 2.883 -1.982 1.00 43.21 H new ATOM 0 HB2 ARG A 2 7.376 1.423 -2.161 1.00 22.30 H new ATOM 0 HB3 ARG A 2 6.934 2.804 -1.177 1.00 22.30 H new ATOM 0 HG2 ARG A 2 7.166 1.197 0.461 1.00 62.44 H new ATOM 0 HG3 ARG A 2 5.452 1.046 0.129 1.00 62.44 H new ATOM 0 HD2 ARG A 2 5.696 -1.078 -0.591 1.00 45.41 H new ATOM 0 HD3 ARG A 2 6.953 -0.616 -1.721 1.00 45.41 H new ATOM 0 HE ARG A 2 7.317 -1.807 0.917 1.00 72.53 H new ATOM 0 HH11 ARG A 2 8.772 0.236 -1.568 1.00 0.22 H new ATOM 0 HH12 ARG A 2 10.425 -0.124 -1.059 1.00 0.22 H new ATOM 0 HH21 ARG A 2 9.443 -2.263 1.566 1.00 61.05 H new ATOM 0 HH22 ARG A 2 10.803 -1.533 0.708 1.00 61.05 H new ATOM 41 N ASP A 3 5.848 3.403 -4.218 1.00 70.11 N ATOM 42 CA ASP A 3 6.176 3.700 -5.608 1.00 23.04 C ATOM 43 C ASP A 3 7.684 3.839 -5.792 1.00 2.31 C ATOM 44 O ASP A 3 8.372 4.415 -4.949 1.00 53.44 O ATOM 45 CB ASP A 3 5.474 4.983 -6.057 1.00 25.42 C ATOM 46 CG ASP A 3 4.279 5.323 -5.189 1.00 73.50 C ATOM 47 OD1 ASP A 3 3.423 4.436 -4.984 1.00 54.34 O ATOM 48 OD2 ASP A 3 4.199 6.474 -4.714 1.00 4.41 O ATOM 0 H ASP A 3 5.790 4.223 -3.614 1.00 70.11 H new ATOM 0 HA ASP A 3 5.828 2.870 -6.223 1.00 23.04 H new ATOM 0 HB2 ASP A 3 6.184 5.810 -6.033 1.00 25.42 H new ATOM 0 HB3 ASP A 3 5.148 4.873 -7.091 1.00 25.42 H new ATOM 53 N ALA A 4 8.192 3.307 -6.899 1.00 34.32 N ATOM 54 CA ALA A 4 9.617 3.372 -7.194 1.00 5.41 C ATOM 55 C ALA A 4 9.943 2.643 -8.493 1.00 25.13 C ATOM 56 O ALA A 4 9.047 2.168 -9.191 1.00 25.42 O ATOM 57 CB ALA A 4 10.422 2.789 -6.042 1.00 63.21 C ATOM 0 H ALA A 4 7.637 2.826 -7.606 1.00 34.32 H new ATOM 0 HA ALA A 4 9.889 4.420 -7.319 1.00 5.41 H new ATOM 0 HB1 ALA A 4 11.485 2.844 -6.276 1.00 63.21 H new ATOM 0 HB2 ALA A 4 10.221 3.357 -5.134 1.00 63.21 H new ATOM 0 HB3 ALA A 4 10.138 1.748 -5.890 1.00 63.21 H new ATOM 63 N TYR A 5 11.230 2.558 -8.811 1.00 42.43 N ATOM 64 CA TYR A 5 11.674 1.889 -10.028 1.00 51.34 C ATOM 65 C TYR A 5 11.662 0.374 -9.852 1.00 62.12 C ATOM 66 O TYR A 5 12.524 -0.190 -9.178 1.00 20.34 O ATOM 67 CB TYR A 5 13.079 2.359 -10.410 1.00 72.42 C ATOM 68 CG TYR A 5 13.094 3.655 -11.188 1.00 14.33 C ATOM 69 CD1 TYR A 5 12.813 3.675 -12.548 1.00 51.25 C ATOM 70 CD2 TYR A 5 13.389 4.860 -10.562 1.00 42.13 C ATOM 71 CE1 TYR A 5 12.826 4.857 -13.263 1.00 51.43 C ATOM 72 CE2 TYR A 5 13.403 6.047 -11.269 1.00 10.13 C ATOM 73 CZ TYR A 5 13.121 6.041 -12.619 1.00 30.42 C ATOM 74 OH TYR A 5 13.135 7.221 -13.326 1.00 61.24 O ATOM 0 H TYR A 5 11.984 2.944 -8.243 1.00 42.43 H new ATOM 0 HA TYR A 5 10.981 2.149 -10.829 1.00 51.34 H new ATOM 0 HB2 TYR A 5 13.671 2.483 -9.503 1.00 72.42 H new ATOM 0 HB3 TYR A 5 13.564 1.583 -11.003 1.00 72.42 H new ATOM 0 HD1 TYR A 5 12.580 2.750 -13.055 1.00 51.25 H new ATOM 0 HD2 TYR A 5 13.611 4.869 -9.505 1.00 42.13 H new ATOM 0 HE1 TYR A 5 12.606 4.854 -14.320 1.00 51.43 H new ATOM 0 HE2 TYR A 5 13.634 6.975 -10.767 1.00 10.13 H new ATOM 0 HH TYR A 5 12.940 7.040 -14.269 1.00 61.24 H new ATOM 84 N ILE A 6 10.680 -0.279 -10.464 1.00 53.53 N ATOM 85 CA ILE A 6 10.556 -1.728 -10.377 1.00 72.33 C ATOM 86 C ILE A 6 11.775 -2.421 -10.977 1.00 33.21 C ATOM 87 O ILE A 6 12.361 -1.939 -11.945 1.00 64.23 O ATOM 88 CB ILE A 6 9.289 -2.229 -11.096 1.00 62.21 C ATOM 89 CG1 ILE A 6 9.238 -3.758 -11.079 1.00 73.30 C ATOM 90 CG2 ILE A 6 9.250 -1.708 -12.525 1.00 21.30 C ATOM 91 CD1 ILE A 6 7.872 -4.321 -11.406 1.00 41.40 C ATOM 0 H ILE A 6 9.958 0.173 -11.026 1.00 53.53 H new ATOM 0 HA ILE A 6 10.485 -1.976 -9.318 1.00 72.33 H new ATOM 0 HB ILE A 6 8.415 -1.849 -10.568 1.00 62.21 H new ATOM 0 HG12 ILE A 6 9.963 -4.146 -11.795 1.00 73.30 H new ATOM 0 HG13 ILE A 6 9.542 -4.113 -10.094 1.00 73.30 H new ATOM 0 HG21 ILE A 6 8.349 -2.070 -13.020 1.00 21.30 H new ATOM 0 HG22 ILE A 6 9.245 -0.618 -12.515 1.00 21.30 H new ATOM 0 HG23 ILE A 6 10.128 -2.062 -13.065 1.00 21.30 H new ATOM 0 HD11 ILE A 6 7.910 -5.410 -11.375 1.00 41.40 H new ATOM 0 HD12 ILE A 6 7.146 -3.963 -10.676 1.00 41.40 H new ATOM 0 HD13 ILE A 6 7.574 -3.996 -12.403 1.00 41.40 H new ATOM 103 N ALA A 7 12.149 -3.556 -10.395 1.00 60.15 N ATOM 104 CA ALA A 7 13.296 -4.318 -10.875 1.00 14.14 C ATOM 105 C ALA A 7 13.156 -5.796 -10.528 1.00 22.24 C ATOM 106 O ALA A 7 12.238 -6.192 -9.809 1.00 63.30 O ATOM 107 CB ALA A 7 14.584 -3.756 -10.291 1.00 73.03 C ATOM 0 H ALA A 7 11.675 -3.968 -9.591 1.00 60.15 H new ATOM 0 HA ALA A 7 13.333 -4.228 -11.961 1.00 14.14 H new ATOM 0 HB1 ALA A 7 15.432 -4.334 -10.657 1.00 73.03 H new ATOM 0 HB2 ALA A 7 14.697 -2.715 -10.593 1.00 73.03 H new ATOM 0 HB3 ALA A 7 14.547 -3.816 -9.203 1.00 73.03 H new ATOM 113 N LYS A 8 14.072 -6.609 -11.043 1.00 23.00 N ATOM 114 CA LYS A 8 14.053 -8.044 -10.788 1.00 32.53 C ATOM 115 C LYS A 8 15.334 -8.491 -10.091 1.00 3.30 C ATOM 116 O LYS A 8 16.426 -7.997 -10.372 1.00 45.22 O ATOM 117 CB LYS A 8 13.878 -8.814 -12.099 1.00 30.12 C ATOM 118 CG LYS A 8 14.876 -8.419 -13.174 1.00 32.13 C ATOM 119 CD LYS A 8 14.990 -9.487 -14.248 1.00 61.42 C ATOM 120 CE LYS A 8 15.814 -10.673 -13.770 1.00 30.12 C ATOM 121 NZ LYS A 8 15.908 -11.738 -14.807 1.00 1.41 N ATOM 0 H LYS A 8 14.838 -6.298 -11.640 1.00 23.00 H new ATOM 0 HA LYS A 8 13.210 -8.259 -10.132 1.00 32.53 H new ATOM 0 HB2 LYS A 8 13.975 -9.881 -11.900 1.00 30.12 H new ATOM 0 HB3 LYS A 8 12.868 -8.650 -12.475 1.00 30.12 H new ATOM 0 HG2 LYS A 8 14.569 -7.477 -13.628 1.00 32.13 H new ATOM 0 HG3 LYS A 8 15.853 -8.252 -12.721 1.00 32.13 H new ATOM 0 HD2 LYS A 8 13.994 -9.826 -14.533 1.00 61.42 H new ATOM 0 HD3 LYS A 8 15.448 -9.060 -15.140 1.00 61.42 H new ATOM 0 HE2 LYS A 8 16.816 -10.336 -13.504 1.00 30.12 H new ATOM 0 HE3 LYS A 8 15.366 -11.085 -12.866 1.00 30.12 H new ATOM 0 HZ1 LYS A 8 16.477 -12.528 -14.442 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 14.954 -12.078 -15.043 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 16.358 -11.352 -15.661 1.00 1.41 H new ATOM 135 N PRO A 9 15.201 -9.448 -9.161 1.00 12.10 N ATOM 136 CA PRO A 9 16.338 -9.983 -8.407 1.00 2.13 C ATOM 137 C PRO A 9 17.268 -10.821 -9.277 1.00 60.51 C ATOM 138 O PRO A 9 16.863 -11.329 -10.322 1.00 64.33 O ATOM 139 CB PRO A 9 15.676 -10.855 -7.337 1.00 71.02 C ATOM 140 CG PRO A 9 14.364 -11.244 -7.925 1.00 74.41 C ATOM 141 CD PRO A 9 13.929 -10.082 -8.774 1.00 62.05 C ATOM 0 HA PRO A 9 16.967 -9.190 -8.001 1.00 2.13 H new ATOM 0 HB2 PRO A 9 16.283 -11.731 -7.109 1.00 71.02 H new ATOM 0 HB3 PRO A 9 15.545 -10.306 -6.404 1.00 71.02 H new ATOM 0 HG2 PRO A 9 14.458 -12.150 -8.523 1.00 74.41 H new ATOM 0 HG3 PRO A 9 13.633 -11.452 -7.144 1.00 74.41 H new ATOM 0 HD2 PRO A 9 13.362 -10.411 -9.645 1.00 62.05 H new ATOM 0 HD3 PRO A 9 13.290 -9.395 -8.219 1.00 62.05 H new ATOM 149 N GLU A 10 18.515 -10.962 -8.838 1.00 70.23 N ATOM 150 CA GLU A 10 18.960 -10.347 -7.594 1.00 2.53 C ATOM 151 C GLU A 10 19.398 -8.903 -7.827 1.00 21.41 C ATOM 152 O GLU A 10 20.397 -8.648 -8.498 1.00 53.43 O ATOM 153 CB GLU A 10 20.112 -11.149 -6.986 1.00 5.24 C ATOM 154 CG GLU A 10 19.908 -11.493 -5.520 1.00 15.11 C ATOM 155 CD GLU A 10 19.509 -12.941 -5.311 1.00 24.13 C ATOM 156 OE1 GLU A 10 18.446 -13.344 -5.827 1.00 12.30 O ATOM 157 OE2 GLU A 10 20.261 -13.671 -4.631 1.00 75.33 O ATOM 0 H GLU A 10 19.234 -11.496 -9.325 1.00 70.23 H new ATOM 0 HA GLU A 10 18.121 -10.346 -6.899 1.00 2.53 H new ATOM 0 HB2 GLU A 10 20.240 -12.071 -7.552 1.00 5.24 H new ATOM 0 HB3 GLU A 10 21.035 -10.580 -7.092 1.00 5.24 H new ATOM 0 HG2 GLU A 10 20.828 -11.291 -4.972 1.00 15.11 H new ATOM 0 HG3 GLU A 10 19.139 -10.844 -5.102 1.00 15.11 H new ATOM 164 N ASN A 11 18.642 -7.964 -7.267 1.00 63.23 N ATOM 165 CA ASN A 11 18.951 -6.546 -7.415 1.00 20.42 C ATOM 166 C ASN A 11 19.405 -6.234 -8.837 1.00 52.44 C ATOM 167 O ASN A 11 20.578 -5.945 -9.077 1.00 73.35 O ATOM 168 CB ASN A 11 20.036 -6.133 -6.419 1.00 24.23 C ATOM 169 CG ASN A 11 19.906 -4.684 -5.990 1.00 64.40 C ATOM 170 OD1 ASN A 11 18.819 -4.109 -6.031 1.00 10.44 O ATOM 171 ND2 ASN A 11 21.018 -4.088 -5.576 1.00 44.14 N ATOM 0 H ASN A 11 17.812 -8.159 -6.707 1.00 63.23 H new ATOM 0 HA ASN A 11 18.043 -5.978 -7.210 1.00 20.42 H new ATOM 0 HB2 ASN A 11 19.982 -6.775 -5.540 1.00 24.23 H new ATOM 0 HB3 ASN A 11 21.017 -6.289 -6.869 1.00 24.23 H new ATOM 0 HD21 ASN A 11 20.993 -3.114 -5.275 1.00 44.14 H new ATOM 0 HD22 ASN A 11 21.897 -4.604 -5.559 1.00 44.14 H new ATOM 178 N CYS A 12 18.468 -6.292 -9.778 1.00 12.13 N ATOM 179 CA CYS A 12 18.770 -6.015 -11.177 1.00 14.01 C ATOM 180 C CYS A 12 17.701 -5.120 -11.797 1.00 12.50 C ATOM 181 O CYS A 12 16.504 -5.350 -11.622 1.00 62.11 O ATOM 182 CB CYS A 12 18.876 -7.322 -11.966 1.00 2.44 C ATOM 183 SG CYS A 12 20.581 -7.784 -12.412 1.00 52.53 S ATOM 0 H CYS A 12 17.493 -6.529 -9.596 1.00 12.13 H new ATOM 0 HA CYS A 12 19.726 -5.493 -11.220 1.00 14.01 H new ATOM 0 HB2 CYS A 12 18.435 -8.126 -11.377 1.00 2.44 H new ATOM 0 HB3 CYS A 12 18.285 -7.233 -12.877 1.00 2.44 H new ATOM 188 N VAL A 13 18.142 -4.097 -12.523 1.00 13.23 N ATOM 189 CA VAL A 13 17.224 -3.167 -13.170 1.00 60.13 C ATOM 190 C VAL A 13 16.492 -3.835 -14.329 1.00 44.33 C ATOM 191 O VAL A 13 16.920 -4.875 -14.830 1.00 35.42 O ATOM 192 CB VAL A 13 17.964 -1.922 -13.694 1.00 15.53 C ATOM 193 CG1 VAL A 13 18.547 -1.122 -12.539 1.00 21.13 C ATOM 194 CG2 VAL A 13 19.051 -2.323 -14.678 1.00 44.14 C ATOM 0 H VAL A 13 19.129 -3.892 -12.678 1.00 13.23 H new ATOM 0 HA VAL A 13 16.500 -2.860 -12.415 1.00 60.13 H new ATOM 0 HB VAL A 13 17.248 -1.289 -14.218 1.00 15.53 H new ATOM 0 HG11 VAL A 13 19.066 -0.246 -12.928 1.00 21.13 H new ATOM 0 HG12 VAL A 13 17.743 -0.802 -11.876 1.00 21.13 H new ATOM 0 HG13 VAL A 13 19.250 -1.743 -11.984 1.00 21.13 H new ATOM 0 HG21 VAL A 13 19.563 -1.431 -15.038 1.00 44.14 H new ATOM 0 HG22 VAL A 13 19.768 -2.978 -14.182 1.00 44.14 H new ATOM 0 HG23 VAL A 13 18.603 -2.849 -15.521 1.00 44.14 H new ATOM 204 N TYR A 14 15.388 -3.229 -14.752 1.00 23.21 N ATOM 205 CA TYR A 14 14.595 -3.766 -15.851 1.00 43.24 C ATOM 206 C TYR A 14 14.436 -2.733 -16.963 1.00 65.33 C ATOM 207 O TYR A 14 13.588 -1.846 -16.884 1.00 34.11 O ATOM 208 CB TYR A 14 13.219 -4.206 -15.348 1.00 43.34 C ATOM 209 CG TYR A 14 12.919 -5.665 -15.606 1.00 55.10 C ATOM 210 CD1 TYR A 14 13.178 -6.240 -16.844 1.00 53.33 C ATOM 211 CD2 TYR A 14 12.374 -6.469 -14.612 1.00 4.41 C ATOM 212 CE1 TYR A 14 12.904 -7.572 -17.085 1.00 31.34 C ATOM 213 CE2 TYR A 14 12.099 -7.802 -14.843 1.00 32.42 C ATOM 214 CZ TYR A 14 12.365 -8.350 -16.081 1.00 0.53 C ATOM 215 OH TYR A 14 12.091 -9.677 -16.315 1.00 74.41 O ATOM 0 H TYR A 14 15.022 -2.366 -14.350 1.00 23.21 H new ATOM 0 HA TYR A 14 15.120 -4.631 -16.255 1.00 43.24 H new ATOM 0 HB2 TYR A 14 13.154 -4.014 -14.277 1.00 43.34 H new ATOM 0 HB3 TYR A 14 12.454 -3.596 -15.828 1.00 43.34 H new ATOM 0 HD1 TYR A 14 13.601 -5.635 -17.632 1.00 53.33 H new ATOM 0 HD2 TYR A 14 12.162 -6.044 -13.642 1.00 4.41 H new ATOM 0 HE1 TYR A 14 13.110 -8.002 -18.054 1.00 31.34 H new ATOM 0 HE2 TYR A 14 11.678 -8.413 -14.058 1.00 32.42 H new ATOM 0 HH TYR A 14 11.716 -10.081 -15.505 1.00 74.41 H new ATOM 225 N GLU A 15 15.260 -2.858 -17.999 1.00 41.54 N ATOM 226 CA GLU A 15 15.212 -1.935 -19.128 1.00 34.22 C ATOM 227 C GLU A 15 13.972 -2.185 -19.982 1.00 31.12 C ATOM 228 O GLU A 15 13.560 -3.329 -20.179 1.00 44.25 O ATOM 229 CB GLU A 15 16.471 -2.076 -19.985 1.00 5.14 C ATOM 230 CG GLU A 15 16.557 -3.398 -20.728 1.00 64.31 C ATOM 231 CD GLU A 15 17.754 -3.469 -21.656 1.00 43.14 C ATOM 232 OE1 GLU A 15 17.657 -2.956 -22.791 1.00 3.14 O ATOM 233 OE2 GLU A 15 18.789 -4.038 -21.248 1.00 15.54 O ATOM 0 H GLU A 15 15.968 -3.588 -18.080 1.00 41.54 H new ATOM 0 HA GLU A 15 15.162 -0.920 -18.733 1.00 34.22 H new ATOM 0 HB2 GLU A 15 16.502 -1.260 -20.707 1.00 5.14 H new ATOM 0 HB3 GLU A 15 17.348 -1.970 -19.347 1.00 5.14 H new ATOM 0 HG2 GLU A 15 16.613 -4.213 -20.006 1.00 64.31 H new ATOM 0 HG3 GLU A 15 15.645 -3.546 -21.306 1.00 64.31 H new ATOM 240 N CYS A 16 13.380 -1.107 -20.485 1.00 65.04 N ATOM 241 CA CYS A 16 12.187 -1.207 -21.317 1.00 44.02 C ATOM 242 C CYS A 16 12.479 -0.751 -22.744 1.00 3.21 C ATOM 243 O CYS A 16 13.633 -0.547 -23.118 1.00 4.21 O ATOM 244 CB CYS A 16 11.054 -0.368 -20.723 1.00 44.45 C ATOM 245 SG CYS A 16 9.512 -1.294 -20.441 1.00 32.40 S ATOM 0 H CYS A 16 13.707 -0.153 -20.331 1.00 65.04 H new ATOM 0 HA CYS A 16 11.880 -2.252 -21.344 1.00 44.02 H new ATOM 0 HB2 CYS A 16 11.389 0.056 -19.776 1.00 44.45 H new ATOM 0 HB3 CYS A 16 10.846 0.468 -21.391 1.00 44.45 H new ATOM 250 N GLY A 17 11.423 -0.593 -23.537 1.00 5.44 N ATOM 251 CA GLY A 17 11.587 -0.162 -24.913 1.00 10.33 C ATOM 252 C GLY A 17 11.615 -1.324 -25.885 1.00 22.32 C ATOM 253 O GLY A 17 11.383 -1.147 -27.081 1.00 64.32 O ATOM 0 H GLY A 17 10.458 -0.756 -23.251 1.00 5.44 H new ATOM 0 HA2 GLY A 17 10.772 0.511 -25.179 1.00 10.33 H new ATOM 0 HA3 GLY A 17 12.512 0.407 -25.005 1.00 10.33 H new ATOM 257 N ILE A 18 11.901 -2.516 -25.371 1.00 44.14 N ATOM 258 CA ILE A 18 11.960 -3.712 -26.203 1.00 53.41 C ATOM 259 C ILE A 18 11.026 -4.795 -25.674 1.00 61.13 C ATOM 260 O ILE A 18 10.412 -5.533 -26.446 1.00 11.31 O ATOM 261 CB ILE A 18 13.391 -4.275 -26.279 1.00 71.22 C ATOM 262 CG1 ILE A 18 14.381 -3.165 -26.636 1.00 4.23 C ATOM 263 CG2 ILE A 18 13.462 -5.403 -27.297 1.00 64.34 C ATOM 264 CD1 ILE A 18 14.129 -2.543 -27.991 1.00 43.42 C ATOM 0 H ILE A 18 12.095 -2.679 -24.383 1.00 44.14 H new ATOM 0 HA ILE A 18 11.642 -3.417 -27.203 1.00 53.41 H new ATOM 0 HB ILE A 18 13.661 -4.676 -25.302 1.00 71.22 H new ATOM 0 HG12 ILE A 18 14.333 -2.387 -25.874 1.00 4.23 H new ATOM 0 HG13 ILE A 18 15.392 -3.571 -26.614 1.00 4.23 H new ATOM 0 HG21 ILE A 18 14.480 -5.791 -27.340 1.00 64.34 H new ATOM 0 HG22 ILE A 18 12.781 -6.202 -27.003 1.00 64.34 H new ATOM 0 HG23 ILE A 18 13.176 -5.026 -28.279 1.00 64.34 H new ATOM 0 HD11 ILE A 18 14.869 -1.764 -28.177 1.00 43.42 H new ATOM 0 HD12 ILE A 18 14.206 -3.309 -28.763 1.00 43.42 H new ATOM 0 HD13 ILE A 18 13.130 -2.107 -28.011 1.00 43.42 H new ATOM 276 N THR A 19 10.922 -4.885 -24.352 1.00 31.31 N ATOM 277 CA THR A 19 10.063 -5.878 -23.719 1.00 13.11 C ATOM 278 C THR A 19 8.652 -5.336 -23.518 1.00 3.24 C ATOM 279 O THR A 19 7.677 -6.084 -23.576 1.00 54.45 O ATOM 280 CB THR A 19 10.628 -6.324 -22.357 1.00 43.13 C ATOM 281 OG1 THR A 19 9.821 -7.374 -21.812 1.00 3.52 O ATOM 282 CG2 THR A 19 10.677 -5.157 -21.383 1.00 43.41 C ATOM 0 H THR A 19 11.422 -4.282 -23.699 1.00 31.31 H new ATOM 0 HA THR A 19 10.028 -6.738 -24.388 1.00 13.11 H new ATOM 0 HB THR A 19 11.643 -6.690 -22.512 1.00 43.13 H new ATOM 0 HG1 THR A 19 10.188 -7.653 -20.947 1.00 3.52 H new ATOM 0 HG21 THR A 19 11.079 -5.496 -20.429 1.00 43.41 H new ATOM 0 HG22 THR A 19 11.316 -4.372 -21.788 1.00 43.41 H new ATOM 0 HG23 THR A 19 9.671 -4.765 -21.234 1.00 43.41 H new ATOM 290 N GLN A 20 8.553 -4.032 -23.281 1.00 14.24 N ATOM 291 CA GLN A 20 7.260 -3.391 -23.071 1.00 10.33 C ATOM 292 C GLN A 20 6.383 -4.224 -22.142 1.00 62.32 C ATOM 293 O GLN A 20 6.870 -5.116 -21.447 1.00 64.34 O ATOM 294 CB GLN A 20 6.549 -3.178 -24.408 1.00 61.34 C ATOM 295 CG GLN A 20 5.946 -4.449 -24.985 1.00 44.15 C ATOM 296 CD GLN A 20 6.851 -5.114 -26.004 1.00 25.14 C ATOM 297 OE1 GLN A 20 7.971 -4.662 -26.245 1.00 41.12 O ATOM 298 NE2 GLN A 20 6.371 -6.195 -26.607 1.00 55.31 N ATOM 0 H GLN A 20 9.351 -3.399 -23.230 1.00 14.24 H new ATOM 0 HA GLN A 20 7.435 -2.422 -22.603 1.00 10.33 H new ATOM 0 HB2 GLN A 20 5.759 -2.438 -24.276 1.00 61.34 H new ATOM 0 HB3 GLN A 20 7.258 -2.764 -25.125 1.00 61.34 H new ATOM 0 HG2 GLN A 20 5.741 -5.149 -24.175 1.00 44.15 H new ATOM 0 HG3 GLN A 20 4.990 -4.213 -25.453 1.00 44.15 H new ATOM 0 HE21 GLN A 20 5.437 -6.535 -26.377 1.00 55.31 H new ATOM 0 HE22 GLN A 20 6.936 -6.685 -27.300 1.00 55.31 H new ATOM 307 N ASP A 21 5.088 -3.928 -22.135 1.00 43.22 N ATOM 308 CA ASP A 21 4.143 -4.651 -21.292 1.00 51.53 C ATOM 309 C ASP A 21 4.450 -4.426 -19.815 1.00 62.00 C ATOM 310 O ASP A 21 4.084 -5.237 -18.964 1.00 11.35 O ATOM 311 CB ASP A 21 4.181 -6.146 -21.612 1.00 50.45 C ATOM 312 CG ASP A 21 2.875 -6.646 -22.197 1.00 52.12 C ATOM 313 OD1 ASP A 21 2.418 -6.071 -23.208 1.00 20.32 O ATOM 314 OD2 ASP A 21 2.310 -7.613 -21.645 1.00 13.41 O ATOM 0 H ASP A 21 4.669 -3.192 -22.704 1.00 43.22 H new ATOM 0 HA ASP A 21 3.143 -4.269 -21.499 1.00 51.53 H new ATOM 0 HB2 ASP A 21 4.990 -6.344 -22.315 1.00 50.45 H new ATOM 0 HB3 ASP A 21 4.406 -6.704 -20.703 1.00 50.45 H new ATOM 319 N CYS A 22 5.126 -3.321 -19.518 1.00 31.12 N ATOM 320 CA CYS A 22 5.484 -2.990 -18.144 1.00 45.31 C ATOM 321 C CYS A 22 4.261 -3.047 -17.234 1.00 2.13 C ATOM 322 O CYS A 22 4.269 -3.726 -16.208 1.00 62.43 O ATOM 323 CB CYS A 22 6.116 -1.598 -18.081 1.00 51.44 C ATOM 324 SG CYS A 22 7.935 -1.610 -17.983 1.00 51.15 S ATOM 0 H CYS A 22 5.437 -2.640 -20.211 1.00 31.12 H new ATOM 0 HA CYS A 22 6.208 -3.727 -17.796 1.00 45.31 H new ATOM 0 HB2 CYS A 22 5.814 -1.034 -18.963 1.00 51.44 H new ATOM 0 HB3 CYS A 22 5.720 -1.070 -17.214 1.00 51.44 H new ATOM 329 N ASN A 23 3.211 -2.328 -17.617 1.00 71.22 N ATOM 330 CA ASN A 23 1.980 -2.297 -16.836 1.00 10.43 C ATOM 331 C ASN A 23 1.484 -3.710 -16.545 1.00 12.30 C ATOM 332 O ASN A 23 1.033 -4.006 -15.438 1.00 72.23 O ATOM 333 CB ASN A 23 0.900 -1.508 -17.579 1.00 11.54 C ATOM 334 CG ASN A 23 -0.003 -0.735 -16.636 1.00 45.53 C ATOM 335 OD1 ASN A 23 -0.310 0.434 -16.872 1.00 45.11 O ATOM 336 ND2 ASN A 23 -0.432 -1.386 -15.561 1.00 42.44 N ATOM 0 H ASN A 23 3.188 -1.759 -18.463 1.00 71.22 H new ATOM 0 HA ASN A 23 2.193 -1.804 -15.888 1.00 10.43 H new ATOM 0 HB2 ASN A 23 1.374 -0.815 -18.274 1.00 11.54 H new ATOM 0 HB3 ASN A 23 0.297 -2.194 -18.174 1.00 11.54 H new ATOM 0 HD21 ASN A 23 -1.041 -0.918 -14.891 1.00 42.44 H new ATOM 0 HD22 ASN A 23 -0.152 -2.354 -15.406 1.00 42.44 H new ATOM 343 N LYS A 24 1.571 -4.579 -17.546 1.00 74.01 N ATOM 344 CA LYS A 24 1.133 -5.962 -17.399 1.00 71.12 C ATOM 345 C LYS A 24 1.960 -6.685 -16.341 1.00 12.02 C ATOM 346 O LYS A 24 1.415 -7.370 -15.474 1.00 3.34 O ATOM 347 CB LYS A 24 1.242 -6.698 -18.737 1.00 15.32 C ATOM 348 CG LYS A 24 0.268 -7.855 -18.875 1.00 55.13 C ATOM 349 CD LYS A 24 -1.101 -7.380 -19.334 1.00 11.00 C ATOM 350 CE LYS A 24 -2.180 -8.407 -19.025 1.00 2.31 C ATOM 351 NZ LYS A 24 -3.370 -8.243 -19.904 1.00 52.54 N ATOM 0 H LYS A 24 1.941 -4.350 -18.468 1.00 74.01 H new ATOM 0 HA LYS A 24 0.091 -5.955 -17.079 1.00 71.12 H new ATOM 0 HB2 LYS A 24 1.069 -5.990 -19.547 1.00 15.32 H new ATOM 0 HB3 LYS A 24 2.259 -7.074 -18.854 1.00 15.32 H new ATOM 0 HG2 LYS A 24 0.661 -8.579 -19.588 1.00 55.13 H new ATOM 0 HG3 LYS A 24 0.174 -8.369 -17.918 1.00 55.13 H new ATOM 0 HD2 LYS A 24 -1.343 -6.437 -18.844 1.00 11.00 H new ATOM 0 HD3 LYS A 24 -1.079 -7.185 -20.406 1.00 11.00 H new ATOM 0 HE2 LYS A 24 -1.772 -9.410 -19.149 1.00 2.31 H new ATOM 0 HE3 LYS A 24 -2.483 -8.313 -17.982 1.00 2.31 H new ATOM 0 HZ1 LYS A 24 -4.082 -8.961 -19.662 1.00 52.54 H new ATOM 0 HZ2 LYS A 24 -3.774 -7.295 -19.767 1.00 52.54 H new ATOM 0 HZ3 LYS A 24 -3.086 -8.358 -20.898 1.00 52.54 H new ATOM 365 N LEU A 25 3.277 -6.528 -16.416 1.00 53.43 N ATOM 366 CA LEU A 25 4.179 -7.164 -15.463 1.00 62.32 C ATOM 367 C LEU A 25 3.909 -6.672 -14.045 1.00 60.00 C ATOM 368 O LEU A 25 3.755 -7.469 -13.119 1.00 12.54 O ATOM 369 CB LEU A 25 5.634 -6.885 -15.844 1.00 22.02 C ATOM 370 CG LEU A 25 6.694 -7.646 -15.047 1.00 63.42 C ATOM 371 CD1 LEU A 25 7.010 -8.976 -15.714 1.00 31.42 C ATOM 372 CD2 LEU A 25 7.956 -6.808 -14.901 1.00 60.24 C ATOM 0 H LEU A 25 3.744 -5.965 -17.127 1.00 53.43 H new ATOM 0 HA LEU A 25 4.001 -8.239 -15.494 1.00 62.32 H new ATOM 0 HB2 LEU A 25 5.764 -7.121 -16.900 1.00 22.02 H new ATOM 0 HB3 LEU A 25 5.820 -5.817 -15.731 1.00 22.02 H new ATOM 0 HG LEU A 25 6.298 -7.846 -14.052 1.00 63.42 H new ATOM 0 HD11 LEU A 25 7.766 -9.504 -15.133 1.00 31.42 H new ATOM 0 HD12 LEU A 25 6.105 -9.581 -15.766 1.00 31.42 H new ATOM 0 HD13 LEU A 25 7.386 -8.798 -16.722 1.00 31.42 H new ATOM 0 HD21 LEU A 25 8.699 -7.366 -14.331 1.00 60.24 H new ATOM 0 HD22 LEU A 25 8.355 -6.576 -15.888 1.00 60.24 H new ATOM 0 HD23 LEU A 25 7.719 -5.881 -14.379 1.00 60.24 H new ATOM 384 N CYS A 26 3.851 -5.354 -13.883 1.00 31.54 N ATOM 385 CA CYS A 26 3.597 -4.755 -12.578 1.00 45.33 C ATOM 386 C CYS A 26 2.301 -5.289 -11.977 1.00 31.05 C ATOM 387 O CYS A 26 2.246 -5.632 -10.795 1.00 0.10 O ATOM 388 CB CYS A 26 3.526 -3.231 -12.699 1.00 65.23 C ATOM 389 SG CYS A 26 4.242 -2.339 -11.282 1.00 3.52 S ATOM 0 H CYS A 26 3.976 -4.681 -14.639 1.00 31.54 H new ATOM 0 HA CYS A 26 4.421 -5.023 -11.916 1.00 45.33 H new ATOM 0 HB2 CYS A 26 4.045 -2.925 -13.607 1.00 65.23 H new ATOM 0 HB3 CYS A 26 2.483 -2.934 -12.812 1.00 65.23 H new ATOM 394 N THR A 27 1.258 -5.358 -12.798 1.00 52.40 N ATOM 395 CA THR A 27 -0.038 -5.849 -12.348 1.00 54.00 C ATOM 396 C THR A 27 0.026 -7.332 -12.001 1.00 1.25 C ATOM 397 O THR A 27 -0.424 -7.748 -10.934 1.00 35.30 O ATOM 398 CB THR A 27 -1.124 -5.631 -13.419 1.00 13.15 C ATOM 399 OG1 THR A 27 -0.591 -5.901 -14.720 1.00 21.24 O ATOM 400 CG2 THR A 27 -1.655 -4.206 -13.368 1.00 72.25 C ATOM 0 H THR A 27 1.286 -5.080 -13.779 1.00 52.40 H new ATOM 0 HA THR A 27 -0.299 -5.280 -11.455 1.00 54.00 H new ATOM 0 HB THR A 27 -1.947 -6.316 -13.215 1.00 13.15 H new ATOM 0 HG1 THR A 27 -0.252 -5.070 -15.113 1.00 21.24 H new ATOM 0 HG21 THR A 27 -2.420 -4.075 -14.133 1.00 72.25 H new ATOM 0 HG22 THR A 27 -2.087 -4.014 -12.386 1.00 72.25 H new ATOM 0 HG23 THR A 27 -0.839 -3.507 -13.549 1.00 72.25 H new ATOM 408 N GLU A 28 0.590 -8.124 -12.908 1.00 12.44 N ATOM 409 CA GLU A 28 0.712 -9.561 -12.695 1.00 44.02 C ATOM 410 C GLU A 28 1.488 -9.858 -11.415 1.00 2.50 C ATOM 411 O GLU A 28 1.258 -10.872 -10.759 1.00 22.25 O ATOM 412 CB GLU A 28 1.408 -10.218 -13.890 1.00 14.15 C ATOM 413 CG GLU A 28 2.861 -10.574 -13.627 1.00 43.14 C ATOM 414 CD GLU A 28 3.606 -10.954 -14.892 1.00 42.44 C ATOM 415 OE1 GLU A 28 3.241 -10.442 -15.972 1.00 12.05 O ATOM 416 OE2 GLU A 28 4.554 -11.762 -14.804 1.00 33.03 O ATOM 0 H GLU A 28 0.969 -7.795 -13.796 1.00 12.44 H new ATOM 0 HA GLU A 28 -0.292 -9.974 -12.595 1.00 44.02 H new ATOM 0 HB2 GLU A 28 0.865 -11.122 -14.164 1.00 14.15 H new ATOM 0 HB3 GLU A 28 1.357 -9.544 -14.745 1.00 14.15 H new ATOM 0 HG2 GLU A 28 3.360 -9.726 -13.157 1.00 43.14 H new ATOM 0 HG3 GLU A 28 2.906 -11.403 -12.920 1.00 43.14 H new ATOM 423 N ASN A 29 2.409 -8.964 -11.067 1.00 55.13 N ATOM 424 CA ASN A 29 3.220 -9.130 -9.867 1.00 14.34 C ATOM 425 C ASN A 29 2.403 -8.832 -8.613 1.00 11.40 C ATOM 426 O ASN A 29 2.722 -9.307 -7.524 1.00 12.10 O ATOM 427 CB ASN A 29 4.443 -8.213 -9.922 1.00 1.41 C ATOM 428 CG ASN A 29 5.680 -8.929 -10.428 1.00 42.22 C ATOM 429 OD1 ASN A 29 6.551 -9.314 -9.648 1.00 31.20 O ATOM 430 ND2 ASN A 29 5.763 -9.110 -11.741 1.00 71.02 N ATOM 0 H ASN A 29 2.612 -8.118 -11.599 1.00 55.13 H new ATOM 0 HA ASN A 29 3.553 -10.167 -9.824 1.00 14.34 H new ATOM 0 HB2 ASN A 29 4.228 -7.363 -10.570 1.00 1.41 H new ATOM 0 HB3 ASN A 29 4.639 -7.813 -8.927 1.00 1.41 H new ATOM 0 HD21 ASN A 29 6.573 -9.585 -12.140 1.00 71.02 H new ATOM 0 HD22 ASN A 29 5.017 -8.774 -12.350 1.00 71.02 H new ATOM 437 N GLY A 30 1.346 -8.041 -8.776 1.00 2.05 N ATOM 438 CA GLY A 30 0.500 -7.693 -7.649 1.00 74.33 C ATOM 439 C GLY A 30 0.650 -6.242 -7.237 1.00 72.42 C ATOM 440 O GLY A 30 0.450 -5.897 -6.073 1.00 52.12 O ATOM 0 H GLY A 30 1.061 -7.636 -9.667 1.00 2.05 H new ATOM 0 HA2 GLY A 30 -0.541 -7.889 -7.906 1.00 74.33 H new ATOM 0 HA3 GLY A 30 0.745 -8.335 -6.803 1.00 74.33 H new ATOM 444 N ALA A 31 1.005 -5.391 -8.194 1.00 11.12 N ATOM 445 CA ALA A 31 1.182 -3.969 -7.924 1.00 74.42 C ATOM 446 C ALA A 31 -0.031 -3.168 -8.385 1.00 73.22 C ATOM 447 O ALA A 31 -0.997 -3.730 -8.902 1.00 2.54 O ATOM 448 CB ALA A 31 2.444 -3.457 -8.602 1.00 12.43 C ATOM 0 H ALA A 31 1.176 -5.661 -9.163 1.00 11.12 H new ATOM 0 HA ALA A 31 1.283 -3.838 -6.847 1.00 74.42 H new ATOM 0 HB1 ALA A 31 2.564 -2.394 -8.392 1.00 12.43 H new ATOM 0 HB2 ALA A 31 3.308 -4.002 -8.222 1.00 12.43 H new ATOM 0 HB3 ALA A 31 2.365 -3.608 -9.679 1.00 12.43 H new ATOM 454 N GLU A 32 0.026 -1.854 -8.194 1.00 51.12 N ATOM 455 CA GLU A 32 -1.070 -0.977 -8.590 1.00 2.24 C ATOM 456 C GLU A 32 -0.913 -0.531 -10.041 1.00 11.35 C ATOM 457 O GLU A 32 -1.699 -0.913 -10.907 1.00 71.51 O ATOM 458 CB GLU A 32 -1.130 0.246 -7.672 1.00 50.32 C ATOM 459 CG GLU A 32 -2.447 1.001 -7.749 1.00 62.41 C ATOM 460 CD GLU A 32 -2.320 2.323 -8.481 1.00 21.34 C ATOM 461 OE1 GLU A 32 -2.447 2.327 -9.723 1.00 63.02 O ATOM 462 OE2 GLU A 32 -2.094 3.352 -7.812 1.00 1.45 O ATOM 0 H GLU A 32 0.818 -1.373 -7.768 1.00 51.12 H new ATOM 0 HA GLU A 32 -2.001 -1.537 -8.499 1.00 2.24 H new ATOM 0 HB2 GLU A 32 -0.964 -0.074 -6.643 1.00 50.32 H new ATOM 0 HB3 GLU A 32 -0.317 0.924 -7.930 1.00 50.32 H new ATOM 0 HG2 GLU A 32 -3.188 0.381 -8.253 1.00 62.41 H new ATOM 0 HG3 GLU A 32 -2.817 1.183 -6.740 1.00 62.41 H new ATOM 469 N SER A 33 0.107 0.282 -10.297 1.00 23.42 N ATOM 470 CA SER A 33 0.365 0.784 -11.641 1.00 44.11 C ATOM 471 C SER A 33 1.805 0.502 -12.059 1.00 43.33 C ATOM 472 O SER A 33 2.687 0.336 -11.217 1.00 51.34 O ATOM 473 CB SER A 33 0.088 2.287 -11.709 1.00 15.02 C ATOM 474 OG SER A 33 -1.057 2.559 -12.499 1.00 42.01 O ATOM 0 H SER A 33 0.768 0.607 -9.591 1.00 23.42 H new ATOM 0 HA SER A 33 -0.303 0.267 -12.330 1.00 44.11 H new ATOM 0 HB2 SER A 33 -0.059 2.679 -10.703 1.00 15.02 H new ATOM 0 HB3 SER A 33 0.953 2.801 -12.128 1.00 15.02 H new ATOM 0 HG SER A 33 -1.852 2.577 -11.927 1.00 42.01 H new ATOM 480 N GLY A 34 2.036 0.450 -13.368 1.00 34.32 N ATOM 481 CA GLY A 34 3.369 0.188 -13.876 1.00 63.33 C ATOM 482 C GLY A 34 3.524 0.587 -15.330 1.00 43.43 C ATOM 483 O GLY A 34 2.592 0.447 -16.123 1.00 25.13 O ATOM 0 H GLY A 34 1.323 0.585 -14.085 1.00 34.32 H new ATOM 0 HA2 GLY A 34 4.097 0.731 -13.274 1.00 63.33 H new ATOM 0 HA3 GLY A 34 3.594 -0.873 -13.768 1.00 63.33 H new ATOM 487 N TYR A 35 4.703 1.088 -15.682 1.00 3.31 N ATOM 488 CA TYR A 35 4.976 1.514 -17.050 1.00 33.34 C ATOM 489 C TYR A 35 6.476 1.663 -17.285 1.00 53.30 C ATOM 490 O TYR A 35 7.278 1.525 -16.361 1.00 62.34 O ATOM 491 CB TYR A 35 4.267 2.837 -17.345 1.00 63.32 C ATOM 492 CG TYR A 35 4.411 3.860 -16.241 1.00 53.15 C ATOM 493 CD1 TYR A 35 5.646 4.423 -15.946 1.00 3.03 C ATOM 494 CD2 TYR A 35 3.311 4.263 -15.494 1.00 4.52 C ATOM 495 CE1 TYR A 35 5.782 5.358 -14.938 1.00 24.12 C ATOM 496 CE2 TYR A 35 3.438 5.199 -14.485 1.00 71.21 C ATOM 497 CZ TYR A 35 4.675 5.743 -14.211 1.00 23.13 C ATOM 498 OH TYR A 35 4.806 6.674 -13.206 1.00 33.23 O ATOM 0 H TYR A 35 5.485 1.209 -15.039 1.00 3.31 H new ATOM 0 HA TYR A 35 4.596 0.748 -17.726 1.00 33.34 H new ATOM 0 HB2 TYR A 35 4.665 3.254 -18.270 1.00 63.32 H new ATOM 0 HB3 TYR A 35 3.208 2.642 -17.513 1.00 63.32 H new ATOM 0 HD1 TYR A 35 6.515 4.125 -16.514 1.00 3.03 H new ATOM 0 HD2 TYR A 35 2.341 3.838 -15.705 1.00 4.52 H new ATOM 0 HE1 TYR A 35 6.750 5.785 -14.721 1.00 24.12 H new ATOM 0 HE2 TYR A 35 2.573 5.503 -13.914 1.00 71.21 H new ATOM 0 HH TYR A 35 5.434 6.341 -12.531 1.00 33.23 H new ATOM 508 N CYS A 36 6.847 1.948 -18.529 1.00 1.03 N ATOM 509 CA CYS A 36 8.250 2.117 -18.889 1.00 13.44 C ATOM 510 C CYS A 36 8.678 3.574 -18.737 1.00 1.12 C ATOM 511 O CYS A 36 8.136 4.462 -19.394 1.00 33.00 O ATOM 512 CB CYS A 36 8.489 1.651 -20.326 1.00 11.10 C ATOM 513 SG CYS A 36 7.965 -0.064 -20.648 1.00 52.54 S ATOM 0 H CYS A 36 6.195 2.067 -19.305 1.00 1.03 H new ATOM 0 HA CYS A 36 8.849 1.508 -18.212 1.00 13.44 H new ATOM 0 HB2 CYS A 36 7.956 2.316 -21.006 1.00 11.10 H new ATOM 0 HB3 CYS A 36 9.551 1.744 -20.555 1.00 11.10 H new ATOM 518 N GLN A 37 9.654 3.810 -17.866 1.00 45.35 N ATOM 519 CA GLN A 37 10.155 5.159 -17.628 1.00 61.14 C ATOM 520 C GLN A 37 11.393 5.438 -18.475 1.00 74.41 C ATOM 521 O GLN A 37 12.521 5.220 -18.033 1.00 73.22 O ATOM 522 CB GLN A 37 10.483 5.350 -16.146 1.00 61.35 C ATOM 523 CG GLN A 37 10.311 6.781 -15.665 1.00 13.14 C ATOM 524 CD GLN A 37 11.310 7.733 -16.292 1.00 63.51 C ATOM 525 OE1 GLN A 37 12.478 7.390 -16.479 1.00 22.12 O ATOM 526 NE2 GLN A 37 10.856 8.936 -16.622 1.00 20.11 N ATOM 0 H GLN A 37 10.113 3.086 -17.314 1.00 45.35 H new ATOM 0 HA GLN A 37 9.375 5.865 -17.914 1.00 61.14 H new ATOM 0 HB2 GLN A 37 9.842 4.697 -15.553 1.00 61.35 H new ATOM 0 HB3 GLN A 37 11.511 5.036 -15.967 1.00 61.35 H new ATOM 0 HG2 GLN A 37 9.300 7.118 -15.895 1.00 13.14 H new ATOM 0 HG3 GLN A 37 10.418 6.811 -14.581 1.00 13.14 H new ATOM 0 HE21 GLN A 37 9.880 9.178 -16.449 1.00 20.11 H new ATOM 0 HE22 GLN A 37 11.483 9.618 -17.049 1.00 20.11 H new ATOM 535 N TRP A 38 11.173 5.919 -19.693 1.00 43.50 N ATOM 536 CA TRP A 38 12.272 6.228 -20.602 1.00 74.50 C ATOM 537 C TRP A 38 12.866 7.597 -20.294 1.00 14.44 C ATOM 538 O TRP A 38 12.487 8.599 -20.899 1.00 10.20 O ATOM 539 CB TRP A 38 11.788 6.182 -22.053 1.00 2.45 C ATOM 540 CG TRP A 38 12.203 4.938 -22.778 1.00 53.23 C ATOM 541 CD1 TRP A 38 12.445 3.712 -22.229 1.00 64.53 C ATOM 542 CD2 TRP A 38 12.425 4.801 -24.186 1.00 53.10 C ATOM 543 NE1 TRP A 38 12.805 2.820 -23.211 1.00 60.01 N ATOM 544 CE2 TRP A 38 12.799 3.463 -24.420 1.00 51.43 C ATOM 545 CE3 TRP A 38 12.342 5.677 -25.272 1.00 13.15 C ATOM 546 CZ2 TRP A 38 13.090 2.985 -25.695 1.00 21.41 C ATOM 547 CZ3 TRP A 38 12.631 5.200 -26.536 1.00 3.52 C ATOM 548 CH2 TRP A 38 13.001 3.864 -26.739 1.00 50.33 C ATOM 0 H TRP A 38 10.245 6.104 -20.074 1.00 43.50 H new ATOM 0 HA TRP A 38 13.049 5.477 -20.461 1.00 74.50 H new ATOM 0 HB2 TRP A 38 10.701 6.257 -22.068 1.00 2.45 H new ATOM 0 HB3 TRP A 38 12.175 7.051 -22.585 1.00 2.45 H new ATOM 0 HD1 TRP A 38 12.365 3.477 -21.178 1.00 64.53 H new ATOM 0 HE1 TRP A 38 13.039 1.838 -23.063 1.00 60.01 H new ATOM 0 HE3 TRP A 38 12.057 6.708 -25.126 1.00 13.15 H new ATOM 0 HZ2 TRP A 38 13.376 1.956 -25.854 1.00 21.41 H new ATOM 0 HZ3 TRP A 38 12.571 5.868 -27.382 1.00 3.52 H new ATOM 0 HH2 TRP A 38 13.220 3.522 -27.740 1.00 50.33 H new ATOM 559 N GLY A 39 13.799 7.634 -19.348 1.00 23.25 N ATOM 560 CA GLY A 39 14.430 8.887 -18.976 1.00 24.41 C ATOM 561 C GLY A 39 14.502 9.076 -17.474 1.00 4.33 C ATOM 562 O GLY A 39 13.724 9.836 -16.899 1.00 34.52 O ATOM 0 H GLY A 39 14.129 6.818 -18.832 1.00 23.25 H new ATOM 0 HA2 GLY A 39 15.437 8.921 -19.392 1.00 24.41 H new ATOM 0 HA3 GLY A 39 13.875 9.715 -19.417 1.00 24.41 H new ATOM 566 N GLY A 40 15.440 8.382 -16.835 1.00 51.42 N ATOM 567 CA GLY A 40 15.592 8.491 -15.396 1.00 70.40 C ATOM 568 C GLY A 40 17.045 8.539 -14.969 1.00 5.53 C ATOM 569 O GLY A 40 17.941 8.680 -15.802 1.00 3.15 O ATOM 0 H GLY A 40 16.097 7.747 -17.288 1.00 51.42 H new ATOM 0 HA2 GLY A 40 15.084 9.390 -15.047 1.00 70.40 H new ATOM 0 HA3 GLY A 40 15.103 7.643 -14.917 1.00 70.40 H new ATOM 573 N LYS A 41 17.282 8.425 -13.666 1.00 73.22 N ATOM 574 CA LYS A 41 18.636 8.457 -13.128 1.00 65.10 C ATOM 575 C LYS A 41 19.523 7.430 -13.825 1.00 22.10 C ATOM 576 O LYS A 41 20.632 7.745 -14.259 1.00 15.12 O ATOM 577 CB LYS A 41 18.615 8.189 -11.621 1.00 43.44 C ATOM 578 CG LYS A 41 19.508 9.125 -10.825 1.00 14.42 C ATOM 579 CD LYS A 41 19.229 9.028 -9.334 1.00 74.14 C ATOM 580 CE LYS A 41 19.783 7.739 -8.747 1.00 34.02 C ATOM 581 NZ LYS A 41 21.169 7.915 -8.232 1.00 12.03 N ATOM 0 H LYS A 41 16.552 8.309 -12.963 1.00 73.22 H new ATOM 0 HA LYS A 41 19.048 9.450 -13.309 1.00 65.10 H new ATOM 0 HB2 LYS A 41 17.591 8.281 -11.258 1.00 43.44 H new ATOM 0 HB3 LYS A 41 18.927 7.160 -11.439 1.00 43.44 H new ATOM 0 HG2 LYS A 41 20.553 8.883 -11.017 1.00 14.42 H new ATOM 0 HG3 LYS A 41 19.352 10.151 -11.159 1.00 14.42 H new ATOM 0 HD2 LYS A 41 19.673 9.882 -8.823 1.00 74.14 H new ATOM 0 HD3 LYS A 41 18.154 9.076 -9.160 1.00 74.14 H new ATOM 0 HE2 LYS A 41 19.135 7.400 -7.938 1.00 34.02 H new ATOM 0 HE3 LYS A 41 19.775 6.960 -9.509 1.00 34.02 H new ATOM 0 HZ1 LYS A 41 21.511 7.014 -7.840 1.00 12.03 H new ATOM 0 HZ2 LYS A 41 21.793 8.214 -9.009 1.00 12.03 H new ATOM 0 HZ3 LYS A 41 21.173 8.640 -7.487 1.00 12.03 H new ATOM 595 N TYR A 42 19.028 6.202 -13.930 1.00 71.11 N ATOM 596 CA TYR A 42 19.776 5.129 -14.574 1.00 20.43 C ATOM 597 C TYR A 42 19.367 4.980 -16.036 1.00 12.21 C ATOM 598 O TYR A 42 19.491 3.905 -16.621 1.00 41.33 O ATOM 599 CB TYR A 42 19.553 3.809 -13.834 1.00 25.53 C ATOM 600 CG TYR A 42 20.232 3.749 -12.484 1.00 15.44 C ATOM 601 CD1 TYR A 42 21.538 4.195 -12.320 1.00 73.54 C ATOM 602 CD2 TYR A 42 19.567 3.248 -11.372 1.00 32.25 C ATOM 603 CE1 TYR A 42 22.162 4.142 -11.089 1.00 33.10 C ATOM 604 CE2 TYR A 42 20.182 3.193 -10.136 1.00 63.31 C ATOM 605 CZ TYR A 42 21.480 3.641 -10.000 1.00 33.31 C ATOM 606 OH TYR A 42 22.097 3.586 -8.771 1.00 52.21 O ATOM 0 H TYR A 42 18.112 5.925 -13.577 1.00 71.11 H new ATOM 0 HA TYR A 42 20.835 5.386 -14.536 1.00 20.43 H new ATOM 0 HB2 TYR A 42 18.482 3.654 -13.700 1.00 25.53 H new ATOM 0 HB3 TYR A 42 19.919 2.989 -14.452 1.00 25.53 H new ATOM 0 HD1 TYR A 42 22.074 4.590 -13.170 1.00 73.54 H new ATOM 0 HD2 TYR A 42 18.551 2.895 -11.475 1.00 32.25 H new ATOM 0 HE1 TYR A 42 23.178 4.491 -10.980 1.00 33.10 H new ATOM 0 HE2 TYR A 42 19.650 2.802 -9.281 1.00 63.31 H new ATOM 0 HH TYR A 42 21.479 3.208 -8.111 1.00 52.21 H new ATOM 616 N GLY A 43 18.878 6.070 -16.621 1.00 32.25 N ATOM 617 CA GLY A 43 18.458 6.041 -18.009 1.00 52.43 C ATOM 618 C GLY A 43 17.066 5.467 -18.182 1.00 53.14 C ATOM 619 O GLY A 43 16.153 5.795 -17.425 1.00 24.31 O ATOM 0 H GLY A 43 18.766 6.972 -16.158 1.00 32.25 H new ATOM 0 HA2 GLY A 43 18.483 7.053 -18.414 1.00 52.43 H new ATOM 0 HA3 GLY A 43 19.167 5.448 -18.587 1.00 52.43 H new ATOM 623 N ASN A 44 16.902 4.609 -19.184 1.00 34.11 N ATOM 624 CA ASN A 44 15.610 3.989 -19.456 1.00 14.43 C ATOM 625 C ASN A 44 15.369 2.803 -18.527 1.00 11.22 C ATOM 626 O ASN A 44 16.056 1.786 -18.612 1.00 31.21 O ATOM 627 CB ASN A 44 15.536 3.533 -20.914 1.00 63.50 C ATOM 628 CG ASN A 44 16.752 2.727 -21.329 1.00 42.03 C ATOM 629 OD1 ASN A 44 17.805 3.419 -21.748 1.00 15.23 O flip ATOM 630 ND2 ASN A 44 16.745 1.497 -21.274 1.00 43.14 N flip ATOM 0 H ASN A 44 17.647 4.327 -19.821 1.00 34.11 H new ATOM 0 HA ASN A 44 14.834 4.732 -19.276 1.00 14.43 H new ATOM 0 HB2 ASN A 44 14.638 2.932 -21.059 1.00 63.50 H new ATOM 0 HB3 ASN A 44 15.444 4.406 -21.561 1.00 63.50 H new ATOM 0 HD21 ASN A 44 15.914 1.006 -20.945 1.00 43.14 H new ATOM 0 HD22 ASN A 44 17.571 0.969 -21.557 1.00 43.14 H new ATOM 637 N ALA A 45 14.388 2.942 -17.641 1.00 2.14 N ATOM 638 CA ALA A 45 14.055 1.882 -16.698 1.00 32.32 C ATOM 639 C ALA A 45 12.551 1.817 -16.453 1.00 50.52 C ATOM 640 O ALA A 45 11.854 2.829 -16.537 1.00 2.32 O ATOM 641 CB ALA A 45 14.796 2.090 -15.386 1.00 24.33 C ATOM 0 H ALA A 45 13.810 3.778 -17.557 1.00 2.14 H new ATOM 0 HA ALA A 45 14.368 0.933 -17.133 1.00 32.32 H new ATOM 0 HB1 ALA A 45 14.537 1.291 -14.691 1.00 24.33 H new ATOM 0 HB2 ALA A 45 15.870 2.078 -15.569 1.00 24.33 H new ATOM 0 HB3 ALA A 45 14.512 3.050 -14.956 1.00 24.33 H new ATOM 647 N CYS A 46 12.056 0.622 -16.151 1.00 71.24 N ATOM 648 CA CYS A 46 10.634 0.425 -15.896 1.00 22.43 C ATOM 649 C CYS A 46 10.253 0.944 -14.512 1.00 63.42 C ATOM 650 O CYS A 46 10.817 0.521 -13.503 1.00 30.13 O ATOM 651 CB CYS A 46 10.274 -1.058 -16.013 1.00 44.23 C ATOM 652 SG CYS A 46 8.484 -1.385 -16.078 1.00 35.32 S ATOM 0 H CYS A 46 12.619 -0.225 -16.077 1.00 71.24 H new ATOM 0 HA CYS A 46 10.075 0.988 -16.643 1.00 22.43 H new ATOM 0 HB2 CYS A 46 10.740 -1.464 -16.911 1.00 44.23 H new ATOM 0 HB3 CYS A 46 10.700 -1.592 -15.164 1.00 44.23 H new ATOM 657 N TRP A 47 9.294 1.861 -14.474 1.00 52.05 N ATOM 658 CA TRP A 47 8.837 2.438 -13.215 1.00 61.30 C ATOM 659 C TRP A 47 7.488 1.856 -12.807 1.00 60.14 C ATOM 660 O TRP A 47 6.670 1.504 -13.658 1.00 21.21 O ATOM 661 CB TRP A 47 8.735 3.959 -13.334 1.00 43.23 C ATOM 662 CG TRP A 47 8.127 4.610 -12.129 1.00 55.13 C ATOM 663 CD1 TRP A 47 6.796 4.726 -11.845 1.00 12.02 C ATOM 664 CD2 TRP A 47 8.826 5.236 -11.048 1.00 70.11 C ATOM 665 NE1 TRP A 47 6.626 5.386 -10.652 1.00 11.32 N ATOM 666 CE2 TRP A 47 7.856 5.709 -10.143 1.00 30.13 C ATOM 667 CE3 TRP A 47 10.177 5.441 -10.756 1.00 31.15 C ATOM 668 CZ2 TRP A 47 8.196 6.374 -8.968 1.00 44.30 C ATOM 669 CZ3 TRP A 47 10.513 6.102 -9.589 1.00 61.34 C ATOM 670 CH2 TRP A 47 9.527 6.561 -8.707 1.00 15.32 C ATOM 0 H TRP A 47 8.817 2.221 -15.301 1.00 52.05 H new ATOM 0 HA TRP A 47 9.567 2.189 -12.445 1.00 61.30 H new ATOM 0 HB2 TRP A 47 9.731 4.371 -13.497 1.00 43.23 H new ATOM 0 HB3 TRP A 47 8.139 4.208 -14.212 1.00 43.23 H new ATOM 0 HD1 TRP A 47 5.995 4.354 -12.467 1.00 12.02 H new ATOM 0 HE1 TRP A 47 5.729 5.601 -10.216 1.00 11.32 H new ATOM 0 HE3 TRP A 47 10.945 5.090 -11.430 1.00 31.15 H new ATOM 0 HZ2 TRP A 47 7.437 6.730 -8.287 1.00 44.30 H new ATOM 0 HZ3 TRP A 47 11.554 6.267 -9.354 1.00 61.34 H new ATOM 0 HH2 TRP A 47 9.822 7.073 -7.803 1.00 15.32 H new ATOM 681 N CYS A 48 7.261 1.758 -11.502 1.00 30.41 N ATOM 682 CA CYS A 48 6.011 1.218 -10.981 1.00 53.21 C ATOM 683 C CYS A 48 5.485 2.075 -9.833 1.00 23.33 C ATOM 684 O CYS A 48 6.257 2.722 -9.124 1.00 70.22 O ATOM 685 CB CYS A 48 6.211 -0.223 -10.507 1.00 52.32 C ATOM 686 SG CYS A 48 5.944 -1.475 -11.803 1.00 33.44 S ATOM 0 H CYS A 48 7.927 2.046 -10.785 1.00 30.41 H new ATOM 0 HA CYS A 48 5.276 1.229 -11.786 1.00 53.21 H new ATOM 0 HB2 CYS A 48 7.223 -0.329 -10.117 1.00 52.32 H new ATOM 0 HB3 CYS A 48 5.529 -0.420 -9.680 1.00 52.32 H new ATOM 691 N ILE A 49 4.168 2.073 -9.655 1.00 65.21 N ATOM 692 CA ILE A 49 3.540 2.848 -8.592 1.00 44.05 C ATOM 693 C ILE A 49 2.763 1.946 -7.640 1.00 1.02 C ATOM 694 O ILE A 49 1.947 1.129 -8.067 1.00 52.32 O ATOM 695 CB ILE A 49 2.588 3.916 -9.162 1.00 60.12 C ATOM 696 CG1 ILE A 49 3.341 4.844 -10.118 1.00 34.00 C ATOM 697 CG2 ILE A 49 1.950 4.713 -8.034 1.00 62.21 C ATOM 698 CD1 ILE A 49 2.431 5.659 -11.010 1.00 12.41 C ATOM 0 H ILE A 49 3.515 1.543 -10.233 1.00 65.21 H new ATOM 0 HA ILE A 49 4.343 3.343 -8.045 1.00 44.05 H new ATOM 0 HB ILE A 49 1.796 3.416 -9.720 1.00 60.12 H new ATOM 0 HG12 ILE A 49 3.968 5.520 -9.537 1.00 34.00 H new ATOM 0 HG13 ILE A 49 4.008 4.248 -10.741 1.00 34.00 H new ATOM 0 HG21 ILE A 49 1.280 5.464 -8.453 1.00 62.21 H new ATOM 0 HG22 ILE A 49 1.384 4.041 -7.389 1.00 62.21 H new ATOM 0 HG23 ILE A 49 2.728 5.206 -7.451 1.00 62.21 H new ATOM 0 HD11 ILE A 49 3.033 6.294 -11.661 1.00 12.41 H new ATOM 0 HD12 ILE A 49 1.822 4.989 -11.618 1.00 12.41 H new ATOM 0 HD13 ILE A 49 1.782 6.282 -10.395 1.00 12.41 H new ATOM 710 N LYS A 50 3.021 2.100 -6.345 1.00 54.25 N ATOM 711 CA LYS A 50 2.344 1.303 -5.330 1.00 34.41 C ATOM 712 C LYS A 50 2.645 -0.181 -5.514 1.00 33.45 C ATOM 713 O LYS A 50 1.889 -0.903 -6.166 1.00 15.34 O ATOM 714 CB LYS A 50 0.833 1.539 -5.390 1.00 32.40 C ATOM 715 CG LYS A 50 0.349 2.626 -4.446 1.00 70.20 C ATOM 716 CD LYS A 50 -1.146 2.520 -4.193 1.00 44.32 C ATOM 717 CE LYS A 50 -1.544 3.221 -2.903 1.00 44.44 C ATOM 718 NZ LYS A 50 -2.177 4.544 -3.164 1.00 21.24 N ATOM 0 H LYS A 50 3.695 2.770 -5.974 1.00 54.25 H new ATOM 0 HA LYS A 50 2.715 1.613 -4.353 1.00 34.41 H new ATOM 0 HB2 LYS A 50 0.556 1.805 -6.410 1.00 32.40 H new ATOM 0 HB3 LYS A 50 0.319 0.608 -5.153 1.00 32.40 H new ATOM 0 HG2 LYS A 50 0.885 2.553 -3.500 1.00 70.20 H new ATOM 0 HG3 LYS A 50 0.579 3.604 -4.868 1.00 70.20 H new ATOM 0 HD2 LYS A 50 -1.690 2.959 -5.030 1.00 44.32 H new ATOM 0 HD3 LYS A 50 -1.434 1.470 -4.142 1.00 44.32 H new ATOM 0 HE2 LYS A 50 -2.237 2.590 -2.346 1.00 44.44 H new ATOM 0 HE3 LYS A 50 -0.662 3.357 -2.277 1.00 44.44 H new ATOM 0 HZ1 LYS A 50 -2.434 4.990 -2.260 1.00 21.24 H new ATOM 0 HZ2 LYS A 50 -1.507 5.155 -3.674 1.00 21.24 H new ATOM 0 HZ3 LYS A 50 -3.032 4.412 -3.740 1.00 21.24 H new ATOM 732 N LEU A 51 3.752 -0.632 -4.934 1.00 11.20 N ATOM 733 CA LEU A 51 4.152 -2.031 -5.032 1.00 61.24 C ATOM 734 C LEU A 51 4.298 -2.655 -3.648 1.00 12.40 C ATOM 735 O LEU A 51 4.793 -2.031 -2.709 1.00 20.54 O ATOM 736 CB LEU A 51 5.470 -2.153 -5.800 1.00 54.51 C ATOM 737 CG LEU A 51 5.497 -3.186 -6.926 1.00 65.44 C ATOM 738 CD1 LEU A 51 5.807 -2.518 -8.257 1.00 31.11 C ATOM 739 CD2 LEU A 51 6.516 -4.276 -6.625 1.00 42.00 C ATOM 0 H LEU A 51 4.389 -0.049 -4.391 1.00 11.20 H new ATOM 0 HA LEU A 51 3.372 -2.568 -5.572 1.00 61.24 H new ATOM 0 HB2 LEU A 51 5.713 -1.178 -6.223 1.00 54.51 H new ATOM 0 HB3 LEU A 51 6.260 -2.398 -5.090 1.00 54.51 H new ATOM 0 HG LEU A 51 4.511 -3.646 -6.995 1.00 65.44 H new ATOM 0 HD11 LEU A 51 5.822 -3.269 -9.046 1.00 31.11 H new ATOM 0 HD12 LEU A 51 5.041 -1.775 -8.478 1.00 31.11 H new ATOM 0 HD13 LEU A 51 6.780 -2.031 -8.202 1.00 31.11 H new ATOM 0 HD21 LEU A 51 6.522 -5.003 -7.437 1.00 42.00 H new ATOM 0 HD22 LEU A 51 7.507 -3.831 -6.529 1.00 42.00 H new ATOM 0 HD23 LEU A 51 6.250 -4.775 -5.693 1.00 42.00 H new ATOM 751 N PRO A 52 3.859 -3.915 -3.517 1.00 73.21 N ATOM 752 CA PRO A 52 3.932 -4.652 -2.252 1.00 1.32 C ATOM 753 C PRO A 52 5.365 -5.007 -1.870 1.00 70.44 C ATOM 754 O PRO A 52 6.238 -5.116 -2.732 1.00 32.42 O ATOM 755 CB PRO A 52 3.123 -5.920 -2.532 1.00 73.33 C ATOM 756 CG PRO A 52 3.204 -6.103 -4.009 1.00 12.44 C ATOM 757 CD PRO A 52 3.257 -4.719 -4.595 1.00 1.25 C ATOM 0 HA PRO A 52 3.552 -4.065 -1.416 1.00 1.32 H new ATOM 0 HB2 PRO A 52 3.537 -6.779 -2.003 1.00 73.33 H new ATOM 0 HB3 PRO A 52 2.090 -5.811 -2.203 1.00 73.33 H new ATOM 0 HG2 PRO A 52 4.089 -6.677 -4.283 1.00 12.44 H new ATOM 0 HG3 PRO A 52 2.340 -6.652 -4.382 1.00 12.44 H new ATOM 0 HD2 PRO A 52 3.860 -4.690 -5.503 1.00 1.25 H new ATOM 0 HD3 PRO A 52 2.264 -4.356 -4.860 1.00 1.25 H new ATOM 765 N ASP A 53 5.600 -5.188 -0.575 1.00 41.35 N ATOM 766 CA ASP A 53 6.928 -5.533 -0.080 1.00 55.12 C ATOM 767 C ASP A 53 7.429 -6.822 -0.723 1.00 61.13 C ATOM 768 O ASP A 53 8.634 -7.026 -0.870 1.00 61.24 O ATOM 769 CB ASP A 53 6.904 -5.683 1.442 1.00 43.03 C ATOM 770 CG ASP A 53 7.758 -4.642 2.139 1.00 22.42 C ATOM 771 OD1 ASP A 53 7.873 -3.518 1.609 1.00 13.45 O ATOM 772 OD2 ASP A 53 8.313 -4.953 3.214 1.00 32.24 O ATOM 0 H ASP A 53 4.889 -5.102 0.151 1.00 41.35 H new ATOM 0 HA ASP A 53 7.610 -4.726 -0.347 1.00 55.12 H new ATOM 0 HB2 ASP A 53 5.876 -5.602 1.796 1.00 43.03 H new ATOM 0 HB3 ASP A 53 7.257 -6.678 1.712 1.00 43.03 H new ATOM 777 N SER A 54 6.497 -7.690 -1.104 1.00 15.54 N ATOM 778 CA SER A 54 6.844 -8.961 -1.726 1.00 70.44 C ATOM 779 C SER A 54 7.840 -8.755 -2.864 1.00 30.34 C ATOM 780 O SER A 54 8.659 -9.628 -3.153 1.00 53.11 O ATOM 781 CB SER A 54 5.587 -9.655 -2.254 1.00 32.51 C ATOM 782 OG SER A 54 5.374 -10.893 -1.597 1.00 71.14 O ATOM 0 H SER A 54 5.495 -7.535 -0.992 1.00 15.54 H new ATOM 0 HA SER A 54 7.309 -9.593 -0.969 1.00 70.44 H new ATOM 0 HB2 SER A 54 4.722 -9.008 -2.107 1.00 32.51 H new ATOM 0 HB3 SER A 54 5.683 -9.821 -3.327 1.00 32.51 H new ATOM 0 HG SER A 54 4.564 -11.316 -1.951 1.00 71.14 H new ATOM 788 N VAL A 55 7.764 -7.594 -3.505 1.00 54.24 N ATOM 789 CA VAL A 55 8.658 -7.271 -4.611 1.00 2.35 C ATOM 790 C VAL A 55 9.276 -5.888 -4.432 1.00 33.44 C ATOM 791 O VAL A 55 8.774 -4.886 -4.942 1.00 22.42 O ATOM 792 CB VAL A 55 7.921 -7.321 -5.962 1.00 43.31 C ATOM 793 CG1 VAL A 55 8.833 -6.852 -7.085 1.00 65.15 C ATOM 794 CG2 VAL A 55 7.404 -8.725 -6.235 1.00 22.11 C ATOM 0 H VAL A 55 7.092 -6.861 -3.278 1.00 54.24 H new ATOM 0 HA VAL A 55 9.448 -8.022 -4.609 1.00 2.35 H new ATOM 0 HB VAL A 55 7.066 -6.647 -5.915 1.00 43.31 H new ATOM 0 HG11 VAL A 55 8.295 -6.894 -8.032 1.00 65.15 H new ATOM 0 HG12 VAL A 55 9.149 -5.827 -6.893 1.00 65.15 H new ATOM 0 HG13 VAL A 55 9.709 -7.498 -7.136 1.00 65.15 H new ATOM 0 HG21 VAL A 55 6.886 -8.742 -7.194 1.00 22.11 H new ATOM 0 HG22 VAL A 55 8.241 -9.422 -6.263 1.00 22.11 H new ATOM 0 HG23 VAL A 55 6.714 -9.019 -5.444 1.00 22.11 H new ATOM 804 N PRO A 56 10.392 -5.830 -3.690 1.00 34.43 N ATOM 805 CA PRO A 56 11.103 -4.576 -3.427 1.00 1.01 C ATOM 806 C PRO A 56 11.786 -4.025 -4.674 1.00 1.32 C ATOM 807 O PRO A 56 12.486 -4.750 -5.381 1.00 51.13 O ATOM 808 CB PRO A 56 12.145 -4.972 -2.378 1.00 32.24 C ATOM 809 CG PRO A 56 12.366 -6.429 -2.595 1.00 33.45 C ATOM 810 CD PRO A 56 11.045 -6.985 -3.051 1.00 20.12 C ATOM 0 HA PRO A 56 10.428 -3.786 -3.100 1.00 1.01 H new ATOM 0 HB2 PRO A 56 13.069 -4.408 -2.505 1.00 32.24 H new ATOM 0 HB3 PRO A 56 11.786 -4.772 -1.368 1.00 32.24 H new ATOM 0 HG2 PRO A 56 13.140 -6.599 -3.343 1.00 33.45 H new ATOM 0 HG3 PRO A 56 12.698 -6.914 -1.677 1.00 33.45 H new ATOM 0 HD2 PRO A 56 11.176 -7.810 -3.751 1.00 20.12 H new ATOM 0 HD3 PRO A 56 10.459 -7.366 -2.215 1.00 20.12 H new ATOM 818 N ILE A 57 11.579 -2.739 -4.937 1.00 11.24 N ATOM 819 CA ILE A 57 12.176 -2.091 -6.098 1.00 4.04 C ATOM 820 C ILE A 57 13.689 -2.280 -6.115 1.00 24.34 C ATOM 821 O ILE A 57 14.261 -2.874 -5.200 1.00 62.45 O ATOM 822 CB ILE A 57 11.858 -0.584 -6.127 1.00 64.43 C ATOM 823 CG1 ILE A 57 12.226 0.063 -4.791 1.00 13.15 C ATOM 824 CG2 ILE A 57 10.388 -0.360 -6.445 1.00 14.44 C ATOM 825 CD1 ILE A 57 13.695 0.398 -4.665 1.00 43.41 C ATOM 0 H ILE A 57 11.002 -2.125 -4.362 1.00 11.24 H new ATOM 0 HA ILE A 57 11.743 -2.563 -6.980 1.00 4.04 H new ATOM 0 HB ILE A 57 12.454 -0.116 -6.911 1.00 64.43 H new ATOM 0 HG12 ILE A 57 11.642 0.975 -4.665 1.00 13.15 H new ATOM 0 HG13 ILE A 57 11.945 -0.610 -3.981 1.00 13.15 H new ATOM 0 HG21 ILE A 57 10.178 0.710 -6.462 1.00 14.44 H new ATOM 0 HG22 ILE A 57 10.157 -0.791 -7.419 1.00 14.44 H new ATOM 0 HG23 ILE A 57 9.774 -0.838 -5.682 1.00 14.44 H new ATOM 0 HD11 ILE A 57 13.882 0.854 -3.693 1.00 43.41 H new ATOM 0 HD12 ILE A 57 14.285 -0.514 -4.758 1.00 43.41 H new ATOM 0 HD13 ILE A 57 13.978 1.096 -5.453 1.00 43.41 H new ATOM 837 N ARG A 58 14.332 -1.770 -7.160 1.00 4.54 N ATOM 838 CA ARG A 58 15.780 -1.882 -7.296 1.00 14.44 C ATOM 839 C ARG A 58 16.492 -1.063 -6.222 1.00 75.05 C ATOM 840 O ARG A 58 16.372 0.162 -6.180 1.00 23.53 O ATOM 841 CB ARG A 58 16.220 -1.415 -8.684 1.00 65.12 C ATOM 842 CG ARG A 58 17.257 -2.320 -9.330 1.00 75.24 C ATOM 843 CD ARG A 58 18.629 -2.131 -8.704 1.00 64.23 C ATOM 844 NE ARG A 58 19.672 -2.832 -9.449 1.00 51.35 N ATOM 845 CZ ARG A 58 20.939 -2.898 -9.055 1.00 53.33 C ATOM 846 NH1 ARG A 58 21.318 -2.309 -7.929 1.00 53.05 N ATOM 847 NH2 ARG A 58 21.829 -3.554 -9.788 1.00 24.22 N ATOM 0 H ARG A 58 13.874 -1.275 -7.925 1.00 4.54 H new ATOM 0 HA ARG A 58 16.052 -2.930 -7.169 1.00 14.44 H new ATOM 0 HB2 ARG A 58 15.346 -1.357 -9.333 1.00 65.12 H new ATOM 0 HB3 ARG A 58 16.627 -0.407 -8.607 1.00 65.12 H new ATOM 0 HG2 ARG A 58 16.949 -3.360 -9.226 1.00 75.24 H new ATOM 0 HG3 ARG A 58 17.311 -2.109 -10.398 1.00 75.24 H new ATOM 0 HD2 ARG A 58 18.865 -1.068 -8.663 1.00 64.23 H new ATOM 0 HD3 ARG A 58 18.612 -2.494 -7.676 1.00 64.23 H new ATOM 0 HE ARG A 58 19.413 -3.296 -10.320 1.00 51.35 H new ATOM 0 HH11 ARG A 58 20.636 -1.804 -7.363 1.00 53.05 H new ATOM 0 HH12 ARG A 58 22.291 -2.361 -7.629 1.00 53.05 H new ATOM 0 HH21 ARG A 58 21.541 -4.008 -10.655 1.00 24.22 H new ATOM 0 HH22 ARG A 58 22.802 -3.604 -9.485 1.00 24.22 H new ATOM 861 N VAL A 59 17.232 -1.748 -5.357 1.00 32.23 N ATOM 862 CA VAL A 59 17.963 -1.085 -4.284 1.00 24.22 C ATOM 863 C VAL A 59 19.389 -0.755 -4.713 1.00 15.11 C ATOM 864 O VAL A 59 19.949 -1.371 -5.619 1.00 60.25 O ATOM 865 CB VAL A 59 18.010 -1.956 -3.015 1.00 21.55 C ATOM 866 CG1 VAL A 59 16.639 -2.020 -2.359 1.00 52.33 C ATOM 867 CG2 VAL A 59 18.517 -3.352 -3.345 1.00 71.22 C ATOM 0 H VAL A 59 17.341 -2.762 -5.378 1.00 32.23 H new ATOM 0 HA VAL A 59 17.430 -0.161 -4.062 1.00 24.22 H new ATOM 0 HB VAL A 59 18.703 -1.500 -2.309 1.00 21.55 H new ATOM 0 HG11 VAL A 59 16.692 -2.640 -1.464 1.00 52.33 H new ATOM 0 HG12 VAL A 59 16.319 -1.015 -2.085 1.00 52.33 H new ATOM 0 HG13 VAL A 59 15.921 -2.452 -3.057 1.00 52.33 H new ATOM 0 HG21 VAL A 59 18.544 -3.954 -2.436 1.00 71.22 H new ATOM 0 HG22 VAL A 59 17.851 -3.819 -4.070 1.00 71.22 H new ATOM 0 HG23 VAL A 59 19.521 -3.285 -3.765 1.00 71.22 H new ATOM 877 N PRO A 60 19.991 0.241 -4.047 1.00 1.31 N ATOM 878 CA PRO A 60 21.360 0.676 -4.341 1.00 72.01 C ATOM 879 C PRO A 60 22.399 -0.361 -3.927 1.00 52.44 C ATOM 880 O PRO A 60 22.706 -0.508 -2.745 1.00 62.14 O ATOM 881 CB PRO A 60 21.514 1.950 -3.507 1.00 42.32 C ATOM 882 CG PRO A 60 20.543 1.791 -2.389 1.00 52.30 C ATOM 883 CD PRO A 60 19.383 1.020 -2.955 1.00 32.42 C ATOM 0 HA PRO A 60 21.519 0.827 -5.409 1.00 72.01 H new ATOM 0 HB2 PRO A 60 22.533 2.058 -3.134 1.00 42.32 H new ATOM 0 HB3 PRO A 60 21.295 2.839 -4.098 1.00 42.32 H new ATOM 0 HG2 PRO A 60 20.995 1.258 -1.552 1.00 52.30 H new ATOM 0 HG3 PRO A 60 20.220 2.761 -2.012 1.00 52.30 H new ATOM 0 HD2 PRO A 60 18.927 0.373 -2.206 1.00 32.42 H new ATOM 0 HD3 PRO A 60 18.600 1.684 -3.322 1.00 32.42 H new ATOM 891 N GLY A 61 22.937 -1.077 -4.910 1.00 4.13 N ATOM 892 CA GLY A 61 23.937 -2.091 -4.627 1.00 13.53 C ATOM 893 C GLY A 61 24.337 -2.871 -5.863 1.00 30.11 C ATOM 894 O GLY A 61 24.177 -2.394 -6.987 1.00 24.13 O ATOM 0 H GLY A 61 22.699 -0.973 -5.896 1.00 4.13 H new ATOM 0 HA2 GLY A 61 24.820 -1.617 -4.199 1.00 13.53 H new ATOM 0 HA3 GLY A 61 23.549 -2.780 -3.876 1.00 13.53 H new ATOM 898 N LYS A 62 24.860 -4.075 -5.657 1.00 5.22 N ATOM 899 CA LYS A 62 25.286 -4.924 -6.763 1.00 31.31 C ATOM 900 C LYS A 62 24.160 -5.858 -7.196 1.00 40.33 C ATOM 901 O LYS A 62 23.173 -6.031 -6.481 1.00 0.34 O ATOM 902 CB LYS A 62 26.515 -5.743 -6.361 1.00 11.30 C ATOM 903 CG LYS A 62 27.758 -5.408 -7.166 1.00 65.24 C ATOM 904 CD LYS A 62 28.831 -6.472 -7.004 1.00 21.12 C ATOM 905 CE LYS A 62 30.154 -6.027 -7.608 1.00 50.31 C ATOM 906 NZ LYS A 62 31.253 -6.036 -6.604 1.00 5.31 N ATOM 0 H LYS A 62 24.999 -4.485 -4.733 1.00 5.22 H new ATOM 0 HA LYS A 62 25.545 -4.280 -7.603 1.00 31.31 H new ATOM 0 HB2 LYS A 62 26.722 -5.578 -5.304 1.00 11.30 H new ATOM 0 HB3 LYS A 62 26.290 -6.803 -6.480 1.00 11.30 H new ATOM 0 HG2 LYS A 62 27.495 -5.312 -8.220 1.00 65.24 H new ATOM 0 HG3 LYS A 62 28.150 -4.443 -6.846 1.00 65.24 H new ATOM 0 HD2 LYS A 62 28.969 -6.693 -5.946 1.00 21.12 H new ATOM 0 HD3 LYS A 62 28.504 -7.395 -7.482 1.00 21.12 H new ATOM 0 HE2 LYS A 62 30.414 -6.685 -8.437 1.00 50.31 H new ATOM 0 HE3 LYS A 62 30.046 -5.023 -8.019 1.00 50.31 H new ATOM 0 HZ1 LYS A 62 32.138 -5.727 -7.055 1.00 5.31 H new ATOM 0 HZ2 LYS A 62 31.017 -5.389 -5.825 1.00 5.31 H new ATOM 0 HZ3 LYS A 62 31.373 -6.999 -6.230 1.00 5.31 H new ATOM 920 N CYS A 63 24.315 -6.458 -8.372 1.00 31.35 N ATOM 921 CA CYS A 63 23.312 -7.375 -8.900 1.00 63.13 C ATOM 922 C CYS A 63 23.809 -8.817 -8.842 1.00 10.14 C ATOM 923 O CYS A 63 24.993 -9.084 -9.043 1.00 3.23 O ATOM 924 CB CYS A 63 22.961 -7.003 -10.342 1.00 70.42 C ATOM 925 SG CYS A 63 21.844 -8.185 -11.164 1.00 25.42 S ATOM 0 H CYS A 63 25.125 -6.325 -8.977 1.00 31.35 H new ATOM 0 HA CYS A 63 22.418 -7.292 -8.282 1.00 63.13 H new ATOM 0 HB2 CYS A 63 22.498 -6.016 -10.349 1.00 70.42 H new ATOM 0 HB3 CYS A 63 23.882 -6.927 -10.921 1.00 70.42 H new ATOM 930 N GLN A 64 22.895 -9.741 -8.565 1.00 74.02 N ATOM 931 CA GLN A 64 23.240 -11.155 -8.480 1.00 30.12 C ATOM 932 C GLN A 64 22.167 -12.018 -9.136 1.00 64.01 C ATOM 933 O GLN A 64 21.171 -11.506 -9.649 1.00 24.13 O ATOM 934 CB GLN A 64 23.422 -11.570 -7.019 1.00 13.03 C ATOM 935 CG GLN A 64 24.876 -11.624 -6.578 1.00 74.20 C ATOM 936 CD GLN A 64 25.247 -12.956 -5.956 1.00 5.33 C ATOM 937 OE1 GLN A 64 25.513 -13.041 -4.756 1.00 51.14 O ATOM 938 NE2 GLN A 64 25.268 -14.005 -6.770 1.00 5.43 N ATOM 0 H GLN A 64 21.910 -9.536 -8.396 1.00 74.02 H new ATOM 0 HA GLN A 64 24.178 -11.307 -9.013 1.00 30.12 H new ATOM 0 HB2 GLN A 64 22.883 -10.869 -6.381 1.00 13.03 H new ATOM 0 HB3 GLN A 64 22.969 -12.550 -6.869 1.00 13.03 H new ATOM 0 HG2 GLN A 64 25.520 -11.437 -7.437 1.00 74.20 H new ATOM 0 HG3 GLN A 64 25.064 -10.827 -5.859 1.00 74.20 H new ATOM 0 HE21 GLN A 64 25.041 -13.889 -7.758 1.00 5.43 H new ATOM 0 HE22 GLN A 64 25.511 -14.927 -6.408 1.00 5.43 H new