USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 786 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 22 ASN : amide:sc= -0.982 K(o=-0.11,f=-6.3!) USER MOD Set 1.2: A 72 THR OG1 : rot -47:sc= 0.871 USER MOD Set 2.1: A 45 LYS NZ :NH3+ -143:sc= 2.46 (180deg=-0.358) USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 1.02 USER MOD Set 3.1: A 57 GLN : amide:sc= 0.704 K(o=0.75,f=-2.4!) USER MOD Set 3.2: A 59 GLN : amide:sc= 0.0483 K(o=0.75,f=-2.3!) USER MOD Set 4.1: A 31 GLN : amide:sc= -0.322 K(o=-0.88,f=-2.2) USER MOD Set 4.2: A 32 THR OG1 : rot 142:sc= -0.555 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0655 K(o=-0.066,f=-1.6!) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 29 THR OG1 : rot 45:sc= 0.406 USER MOD Single : A 34 SER OG : rot 180:sc= 0.161 USER MOD Single : A 35 THR OG1 : rot 174:sc= 1.31 USER MOD Single : A 41 SER OG : rot 75:sc= 0.859 USER MOD Single : A 50 TYR OH : rot 154:sc= 1.17 USER MOD Single : A 60 HIS : no HD1:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-2.9) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0.76 USER MOD Single : A 83 GLN : amide:sc= -0.82 X(o=-0.82,f=-0.77) USER MOD Single : A 87 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.24) USER MOD Single : A 89 ASN : amide:sc= -0.0549 K(o=-0.055,f=-1.7!) USER MOD Single : A 93 THR OG1 : rot -130:sc= 0.0342 USER MOD Single : A 95 SER OG : rot -134:sc= 1.19 USER MOD Single : A 98 SER OG : rot -52:sc= 0.585 USER MOD Single : A 102 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.0087) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 107 THR OG1 : rot -88:sc= 0.00241 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 7 17.593 -3.680 2.234 1.00 1.09 N ATOM 78 CA LYS A 7 16.210 -3.525 1.821 1.00 1.10 C ATOM 79 C LYS A 7 15.516 -2.498 2.701 1.00 0.91 C ATOM 80 O LYS A 7 15.951 -2.244 3.826 1.00 0.98 O ATOM 81 CB LYS A 7 15.479 -4.871 1.895 1.00 1.37 C ATOM 82 CG LYS A 7 15.386 -5.441 3.298 1.00 1.06 C ATOM 83 CD LYS A 7 14.768 -6.827 3.294 1.00 1.05 C ATOM 84 CE LYS A 7 13.920 -7.053 4.532 1.00 1.34 C ATOM 85 NZ LYS A 7 14.526 -8.058 5.442 1.00 2.06 N ATOM 0 HA LYS A 7 16.188 -3.175 0.789 1.00 1.10 H new ATOM 0 HB2 LYS A 7 14.472 -4.750 1.495 1.00 1.37 H new ATOM 0 HB3 LYS A 7 15.992 -5.588 1.255 1.00 1.37 H new ATOM 0 HG2 LYS A 7 16.381 -5.486 3.740 1.00 1.06 H new ATOM 0 HG3 LYS A 7 14.789 -4.777 3.923 1.00 1.06 H new ATOM 0 HD2 LYS A 7 14.154 -6.952 2.402 1.00 1.05 H new ATOM 0 HD3 LYS A 7 15.556 -7.579 3.247 1.00 1.05 H new ATOM 0 HE2 LYS A 7 13.796 -6.110 5.064 1.00 1.34 H new ATOM 0 HE3 LYS A 7 12.925 -7.385 4.235 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 13.917 -8.184 6.275 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 14.622 -8.965 4.943 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 15.465 -7.730 5.746 1.00 2.06 H new ATOM 99 N PRO A 8 14.443 -1.878 2.200 1.00 0.74 N ATOM 100 CA PRO A 8 13.684 -0.891 2.961 1.00 0.60 C ATOM 101 C PRO A 8 12.982 -1.528 4.153 1.00 0.52 C ATOM 102 O PRO A 8 12.594 -2.700 4.108 1.00 0.60 O ATOM 103 CB PRO A 8 12.652 -0.355 1.959 1.00 0.61 C ATOM 104 CG PRO A 8 13.114 -0.824 0.619 1.00 0.84 C ATOM 105 CD PRO A 8 13.876 -2.091 0.861 1.00 0.81 C ATOM 0 HA PRO A 8 14.326 -0.111 3.371 1.00 0.60 H new ATOM 0 HB2 PRO A 8 11.654 -0.732 2.184 1.00 0.61 H new ATOM 0 HB3 PRO A 8 12.597 0.733 1.996 1.00 0.61 H new ATOM 0 HG2 PRO A 8 12.268 -0.999 -0.045 1.00 0.84 H new ATOM 0 HG3 PRO A 8 13.745 -0.075 0.141 1.00 0.84 H new ATOM 0 HD2 PRO A 8 13.226 -2.966 0.831 1.00 0.81 H new ATOM 0 HD3 PRO A 8 14.653 -2.245 0.112 1.00 0.81 H new ATOM 113 N ASP A 9 12.815 -0.757 5.208 1.00 0.44 N ATOM 114 CA ASP A 9 12.129 -1.240 6.396 1.00 0.48 C ATOM 115 C ASP A 9 10.626 -1.142 6.189 1.00 0.41 C ATOM 116 O ASP A 9 10.185 -0.467 5.256 1.00 0.41 O ATOM 117 CB ASP A 9 12.539 -0.416 7.619 1.00 0.61 C ATOM 118 CG ASP A 9 13.186 -1.255 8.702 1.00 1.02 C ATOM 119 OD1 ASP A 9 13.491 -2.437 8.443 1.00 1.19 O ATOM 120 OD2 ASP A 9 13.390 -0.740 9.823 1.00 1.53 O ATOM 0 H ASP A 9 13.144 0.207 5.270 1.00 0.44 H new ATOM 0 HA ASP A 9 12.406 -2.280 6.567 1.00 0.48 H new ATOM 0 HB2 ASP A 9 13.232 0.366 7.309 1.00 0.61 H new ATOM 0 HB3 ASP A 9 11.659 0.081 8.028 1.00 0.61 H new ATOM 125 N PRO A 10 9.817 -1.810 7.032 1.00 0.56 N ATOM 126 CA PRO A 10 8.361 -1.723 6.945 1.00 0.74 C ATOM 127 C PRO A 10 7.889 -0.271 6.883 1.00 0.67 C ATOM 128 O PRO A 10 8.250 0.543 7.739 1.00 0.97 O ATOM 129 CB PRO A 10 7.886 -2.388 8.237 1.00 1.05 C ATOM 130 CG PRO A 10 8.970 -3.344 8.584 1.00 1.12 C ATOM 131 CD PRO A 10 10.250 -2.701 8.128 1.00 0.78 C ATOM 0 HA PRO A 10 7.969 -2.197 6.045 1.00 0.74 H new ATOM 0 HB2 PRO A 10 7.735 -1.654 9.029 1.00 1.05 H new ATOM 0 HB3 PRO A 10 6.935 -2.901 8.093 1.00 1.05 H new ATOM 0 HG2 PRO A 10 8.991 -3.538 9.656 1.00 1.12 H new ATOM 0 HG3 PRO A 10 8.817 -4.303 8.090 1.00 1.12 H new ATOM 0 HD2 PRO A 10 10.728 -2.143 8.933 1.00 0.78 H new ATOM 0 HD3 PRO A 10 10.970 -3.442 7.782 1.00 0.78 H new ATOM 139 N PRO A 11 7.194 0.091 5.791 1.00 0.37 N ATOM 140 CA PRO A 11 6.748 1.459 5.519 1.00 0.38 C ATOM 141 C PRO A 11 6.110 2.132 6.733 1.00 0.28 C ATOM 142 O PRO A 11 5.505 1.472 7.585 1.00 0.35 O ATOM 143 CB PRO A 11 5.712 1.287 4.393 1.00 0.50 C ATOM 144 CG PRO A 11 5.615 -0.188 4.136 1.00 0.64 C ATOM 145 CD PRO A 11 6.880 -0.792 4.671 1.00 0.41 C ATOM 0 HA PRO A 11 7.586 2.104 5.254 1.00 0.38 H new ATOM 0 HB2 PRO A 11 4.745 1.695 4.688 1.00 0.50 H new ATOM 0 HB3 PRO A 11 6.022 1.819 3.494 1.00 0.50 H new ATOM 0 HG2 PRO A 11 4.742 -0.612 4.631 1.00 0.64 H new ATOM 0 HG3 PRO A 11 5.507 -0.391 3.070 1.00 0.64 H new ATOM 0 HD2 PRO A 11 6.734 -1.823 4.994 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.674 -0.801 3.925 1.00 0.41 H new ATOM 153 N GLU A 12 6.260 3.443 6.813 1.00 0.28 N ATOM 154 CA GLU A 12 5.721 4.206 7.922 1.00 0.30 C ATOM 155 C GLU A 12 4.662 5.183 7.430 1.00 0.28 C ATOM 156 O GLU A 12 4.581 5.458 6.232 1.00 0.31 O ATOM 157 CB GLU A 12 6.845 4.960 8.632 1.00 0.47 C ATOM 158 CG GLU A 12 6.972 4.606 10.104 1.00 0.98 C ATOM 159 CD GLU A 12 5.961 5.334 10.961 1.00 1.58 C ATOM 160 OE1 GLU A 12 4.756 5.021 10.863 1.00 2.09 O ATOM 161 OE2 GLU A 12 6.364 6.227 11.732 1.00 2.11 O ATOM 0 H GLU A 12 6.754 4.003 6.118 1.00 0.28 H new ATOM 0 HA GLU A 12 5.255 3.517 8.627 1.00 0.30 H new ATOM 0 HB2 GLU A 12 7.789 4.746 8.131 1.00 0.47 H new ATOM 0 HB3 GLU A 12 6.670 6.032 8.537 1.00 0.47 H new ATOM 0 HG2 GLU A 12 6.843 3.531 10.229 1.00 0.98 H new ATOM 0 HG3 GLU A 12 7.978 4.848 10.448 1.00 0.98 H new ATOM 168 N ASN A 13 3.867 5.705 8.360 1.00 0.33 N ATOM 169 CA ASN A 13 2.829 6.690 8.047 1.00 0.37 C ATOM 170 C ASN A 13 1.800 6.117 7.069 1.00 0.32 C ATOM 171 O ASN A 13 1.195 6.851 6.289 1.00 0.35 O ATOM 172 CB ASN A 13 3.472 7.959 7.463 1.00 0.45 C ATOM 173 CG ASN A 13 2.625 9.205 7.649 1.00 0.62 C ATOM 174 OD1 ASN A 13 1.749 9.260 8.516 1.00 0.82 O ATOM 175 ND2 ASN A 13 2.886 10.221 6.836 1.00 1.01 N ATOM 0 H ASN A 13 3.921 5.460 9.349 1.00 0.33 H new ATOM 0 HA ASN A 13 2.308 6.944 8.970 1.00 0.37 H new ATOM 0 HB2 ASN A 13 4.443 8.115 7.934 1.00 0.45 H new ATOM 0 HB3 ASN A 13 3.654 7.808 6.399 1.00 0.45 H new ATOM 0 HD21 ASN A 13 2.354 11.087 6.915 1.00 1.01 H new ATOM 0 HD22 ASN A 13 3.619 10.135 6.132 1.00 1.01 H new ATOM 182 N VAL A 14 1.625 4.800 7.104 1.00 0.30 N ATOM 183 CA VAL A 14 0.710 4.117 6.196 1.00 0.29 C ATOM 184 C VAL A 14 -0.716 4.159 6.723 1.00 0.32 C ATOM 185 O VAL A 14 -1.101 3.356 7.575 1.00 0.47 O ATOM 186 CB VAL A 14 1.110 2.643 5.976 1.00 0.34 C ATOM 187 CG1 VAL A 14 0.631 2.157 4.619 1.00 0.45 C ATOM 188 CG2 VAL A 14 2.611 2.462 6.105 1.00 0.69 C ATOM 0 H VAL A 14 2.108 4.181 7.755 1.00 0.30 H new ATOM 0 HA VAL A 14 0.769 4.646 5.245 1.00 0.29 H new ATOM 0 HB VAL A 14 0.629 2.044 6.749 1.00 0.34 H new ATOM 0 HG11 VAL A 14 0.922 1.116 4.482 1.00 0.45 H new ATOM 0 HG12 VAL A 14 -0.454 2.240 4.565 1.00 0.45 H new ATOM 0 HG13 VAL A 14 1.081 2.766 3.835 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.866 1.414 5.946 1.00 0.69 H new ATOM 0 HG22 VAL A 14 3.117 3.076 5.360 1.00 0.69 H new ATOM 0 HG23 VAL A 14 2.930 2.765 7.102 1.00 0.69 H new ATOM 198 N VAL A 15 -1.499 5.083 6.199 1.00 0.27 N ATOM 199 CA VAL A 15 -2.887 5.226 6.601 1.00 0.35 C ATOM 200 C VAL A 15 -3.799 5.283 5.383 1.00 0.34 C ATOM 201 O VAL A 15 -3.623 6.123 4.499 1.00 0.39 O ATOM 202 CB VAL A 15 -3.104 6.494 7.455 1.00 0.43 C ATOM 203 CG1 VAL A 15 -2.674 6.250 8.889 1.00 1.34 C ATOM 204 CG2 VAL A 15 -2.354 7.678 6.864 1.00 1.48 C ATOM 0 H VAL A 15 -1.196 5.750 5.489 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.136 4.352 7.203 1.00 0.35 H new ATOM 0 HB VAL A 15 -4.168 6.730 7.451 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -2.834 7.154 9.476 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -3.261 5.435 9.311 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -1.617 5.985 8.912 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -2.521 8.560 7.482 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -1.288 7.454 6.832 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -2.715 7.869 5.853 1.00 1.48 H new ATOM 214 N ALA A 16 -4.780 4.401 5.346 1.00 0.35 N ATOM 215 CA ALA A 16 -5.750 4.397 4.270 1.00 0.38 C ATOM 216 C ALA A 16 -6.998 5.153 4.702 1.00 0.36 C ATOM 217 O ALA A 16 -7.634 4.802 5.697 1.00 0.39 O ATOM 218 CB ALA A 16 -6.086 2.973 3.864 1.00 0.45 C ATOM 0 H ALA A 16 -4.925 3.678 6.050 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.324 4.899 3.401 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -6.816 2.988 3.055 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.181 2.468 3.527 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -6.503 2.440 4.718 1.00 0.45 H new ATOM 224 N ARG A 17 -7.294 6.237 4.009 1.00 0.37 N ATOM 225 CA ARG A 17 -8.414 7.090 4.377 1.00 0.37 C ATOM 226 C ARG A 17 -9.397 7.211 3.222 1.00 0.35 C ATOM 227 O ARG A 17 -9.010 7.477 2.085 1.00 0.48 O ATOM 228 CB ARG A 17 -7.920 8.476 4.799 1.00 0.50 C ATOM 229 CG ARG A 17 -6.825 9.037 3.908 1.00 1.21 C ATOM 230 CD ARG A 17 -6.818 10.555 3.923 1.00 1.69 C ATOM 231 NE ARG A 17 -6.100 11.107 2.779 1.00 2.32 N ATOM 232 CZ ARG A 17 -4.860 11.584 2.838 1.00 3.06 C ATOM 233 NH1 ARG A 17 -4.183 11.556 3.983 1.00 3.37 N ATOM 234 NH2 ARG A 17 -4.296 12.078 1.745 1.00 3.99 N ATOM 0 H ARG A 17 -6.776 6.549 3.188 1.00 0.37 H new ATOM 0 HA ARG A 17 -8.927 6.632 5.223 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -8.763 9.167 4.800 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -7.550 8.423 5.823 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -5.857 8.664 4.242 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -6.968 8.683 2.887 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -7.844 10.923 3.920 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -6.356 10.907 4.846 1.00 1.69 H new ATOM 0 HE ARG A 17 -6.579 11.128 1.879 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -4.615 11.167 4.821 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -3.232 11.923 4.022 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -4.813 12.091 0.866 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -3.345 12.445 1.783 1.00 3.99 H new ATOM 248 N PRO A 18 -10.676 6.943 3.488 1.00 0.31 N ATOM 249 CA PRO A 18 -11.716 6.964 2.461 1.00 0.38 C ATOM 250 C PRO A 18 -11.999 8.366 1.945 1.00 0.39 C ATOM 251 O PRO A 18 -12.059 9.322 2.718 1.00 0.46 O ATOM 252 CB PRO A 18 -12.946 6.415 3.179 1.00 0.49 C ATOM 253 CG PRO A 18 -12.689 6.653 4.626 1.00 0.57 C ATOM 254 CD PRO A 18 -11.203 6.539 4.803 1.00 0.43 C ATOM 0 HA PRO A 18 -11.421 6.388 1.584 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -13.853 6.923 2.851 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -13.082 5.353 2.972 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -13.044 7.638 4.929 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -13.213 5.922 5.241 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -10.841 7.190 5.599 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.905 5.523 5.062 1.00 0.43 H new ATOM 262 N VAL A 19 -12.266 8.459 0.654 1.00 0.40 N ATOM 263 CA VAL A 19 -12.665 9.716 0.045 1.00 0.45 C ATOM 264 C VAL A 19 -14.176 9.876 0.169 1.00 0.48 C ATOM 265 O VAL A 19 -14.930 9.075 -0.380 1.00 0.47 O ATOM 266 CB VAL A 19 -12.254 9.779 -1.442 1.00 0.47 C ATOM 267 CG1 VAL A 19 -12.545 11.150 -2.030 1.00 0.59 C ATOM 268 CG2 VAL A 19 -10.783 9.427 -1.605 1.00 0.52 C ATOM 0 H VAL A 19 -12.213 7.675 0.004 1.00 0.40 H new ATOM 0 HA VAL A 19 -12.157 10.527 0.566 1.00 0.45 H new ATOM 0 HB VAL A 19 -12.847 9.046 -1.988 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -12.246 11.167 -3.078 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -13.612 11.360 -1.953 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -11.986 11.908 -1.481 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -10.512 9.477 -2.660 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.175 10.134 -1.040 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -10.607 8.418 -1.232 1.00 0.52 H new ATOM 278 N PRO A 20 -14.632 10.841 0.984 1.00 0.58 N ATOM 279 CA PRO A 20 -16.058 11.014 1.294 1.00 0.69 C ATOM 280 C PRO A 20 -16.886 11.410 0.076 1.00 0.70 C ATOM 281 O PRO A 20 -18.115 11.422 0.128 1.00 1.27 O ATOM 282 CB PRO A 20 -16.069 12.142 2.332 1.00 0.84 C ATOM 283 CG PRO A 20 -14.694 12.157 2.898 1.00 0.97 C ATOM 284 CD PRO A 20 -13.790 11.760 1.770 1.00 0.67 C ATOM 0 HA PRO A 20 -16.503 10.084 1.646 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -16.317 13.099 1.873 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -16.813 11.958 3.107 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -14.437 13.146 3.277 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -14.606 11.463 3.734 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -13.474 12.622 1.182 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -12.885 11.271 2.130 1.00 0.67 H new ATOM 292 N SER A 21 -16.211 11.773 -1.000 1.00 0.80 N ATOM 293 CA SER A 21 -16.882 12.206 -2.212 1.00 0.85 C ATOM 294 C SER A 21 -17.066 11.046 -3.193 1.00 0.65 C ATOM 295 O SER A 21 -17.571 11.238 -4.299 1.00 0.69 O ATOM 296 CB SER A 21 -16.075 13.329 -2.863 1.00 1.07 C ATOM 297 OG SER A 21 -15.110 13.849 -1.956 1.00 1.49 O ATOM 0 H SER A 21 -15.193 11.776 -1.059 1.00 0.80 H new ATOM 0 HA SER A 21 -17.874 12.573 -1.948 1.00 0.85 H new ATOM 0 HB2 SER A 21 -15.576 12.954 -3.756 1.00 1.07 H new ATOM 0 HB3 SER A 21 -16.746 14.126 -3.184 1.00 1.07 H new ATOM 0 HG SER A 21 -14.603 14.565 -2.393 1.00 1.49 H new ATOM 303 N ASN A 22 -16.631 9.851 -2.801 1.00 0.55 N ATOM 304 CA ASN A 22 -16.723 8.687 -3.665 1.00 0.44 C ATOM 305 C ASN A 22 -16.971 7.418 -2.857 1.00 0.40 C ATOM 306 O ASN A 22 -16.215 7.097 -1.941 1.00 0.43 O ATOM 307 CB ASN A 22 -15.444 8.540 -4.471 1.00 0.57 C ATOM 308 CG ASN A 22 -15.582 7.513 -5.562 1.00 0.74 C ATOM 309 OD1 ASN A 22 -15.123 6.385 -5.430 1.00 0.94 O ATOM 310 ND2 ASN A 22 -16.236 7.888 -6.636 1.00 1.28 N ATOM 0 H ASN A 22 -16.212 9.668 -1.889 1.00 0.55 H new ATOM 0 HA ASN A 22 -17.567 8.832 -4.340 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -15.179 9.502 -4.910 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.627 8.257 -3.807 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -16.379 7.230 -7.402 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -16.602 8.838 -6.705 1.00 1.28 H new ATOM 317 N PRO A 23 -18.035 6.672 -3.196 1.00 0.40 N ATOM 318 CA PRO A 23 -18.440 5.461 -2.467 1.00 0.43 C ATOM 319 C PRO A 23 -17.552 4.250 -2.752 1.00 0.48 C ATOM 320 O PRO A 23 -17.948 3.110 -2.505 1.00 0.98 O ATOM 321 CB PRO A 23 -19.867 5.190 -2.972 1.00 0.56 C ATOM 322 CG PRO A 23 -20.249 6.386 -3.781 1.00 0.70 C ATOM 323 CD PRO A 23 -18.967 6.970 -4.289 1.00 0.48 C ATOM 0 HA PRO A 23 -18.364 5.615 -1.391 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -19.902 4.283 -3.575 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -20.555 5.046 -2.139 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -20.904 6.105 -4.606 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.793 7.109 -3.174 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.654 6.511 -5.227 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -19.052 8.041 -4.471 1.00 0.48 H new ATOM 331 N ARG A 24 -16.382 4.486 -3.322 1.00 0.31 N ATOM 332 CA ARG A 24 -15.480 3.399 -3.666 1.00 0.27 C ATOM 333 C ARG A 24 -14.025 3.854 -3.631 1.00 0.26 C ATOM 334 O ARG A 24 -13.117 3.076 -3.933 1.00 0.31 O ATOM 335 CB ARG A 24 -15.817 2.857 -5.059 1.00 0.35 C ATOM 336 CG ARG A 24 -16.304 1.417 -5.056 1.00 0.37 C ATOM 337 CD ARG A 24 -17.081 1.090 -6.319 1.00 0.62 C ATOM 338 NE ARG A 24 -18.445 0.652 -6.033 1.00 1.27 N ATOM 339 CZ ARG A 24 -19.537 1.245 -6.516 1.00 2.02 C ATOM 340 NH1 ARG A 24 -19.438 2.346 -7.254 1.00 2.44 N ATOM 341 NH2 ARG A 24 -20.729 0.736 -6.246 1.00 2.86 N ATOM 0 H ARG A 24 -16.035 5.416 -3.556 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.610 2.610 -2.926 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -16.583 3.489 -5.509 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -14.932 2.930 -5.691 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -15.451 0.744 -4.967 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -16.936 1.247 -4.184 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -17.112 1.970 -6.962 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -16.559 0.309 -6.872 1.00 0.62 H new ATOM 0 HE ARG A 24 -18.570 -0.158 -5.426 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -18.521 2.744 -7.455 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -20.279 2.793 -7.619 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -20.807 -0.104 -5.672 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -21.569 1.184 -6.612 1.00 2.86 H new ATOM 355 N ARG A 25 -13.801 5.118 -3.293 1.00 0.23 N ATOM 356 CA ARG A 25 -12.455 5.669 -3.329 1.00 0.26 C ATOM 357 C ARG A 25 -11.770 5.563 -1.979 1.00 0.24 C ATOM 358 O ARG A 25 -12.170 6.200 -1.002 1.00 0.24 O ATOM 359 CB ARG A 25 -12.467 7.119 -3.810 1.00 0.32 C ATOM 360 CG ARG A 25 -11.504 7.380 -4.958 1.00 0.51 C ATOM 361 CD ARG A 25 -11.471 8.850 -5.349 1.00 0.80 C ATOM 362 NE ARG A 25 -12.531 9.197 -6.297 1.00 1.32 N ATOM 363 CZ ARG A 25 -12.537 8.843 -7.585 1.00 1.71 C ATOM 364 NH1 ARG A 25 -11.498 8.204 -8.114 1.00 2.14 N ATOM 365 NH2 ARG A 25 -13.570 9.166 -8.354 1.00 2.31 N ATOM 0 H ARG A 25 -14.524 5.772 -2.995 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.883 5.074 -4.041 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -13.477 7.382 -4.125 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -12.213 7.773 -2.976 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.503 7.058 -4.672 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -11.797 6.782 -5.821 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -11.572 9.464 -4.454 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -10.502 9.085 -5.789 1.00 0.80 H new ATOM 0 HE ARG A 25 -13.318 9.746 -5.951 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -10.688 7.980 -7.535 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -11.511 7.937 -9.098 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -14.356 9.683 -7.961 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -13.577 8.897 -9.338 1.00 2.31 H new ATOM 379 N LEU A 26 -10.718 4.775 -1.953 1.00 0.29 N ATOM 380 CA LEU A 26 -9.917 4.584 -0.766 1.00 0.35 C ATOM 381 C LEU A 26 -8.515 5.121 -1.007 1.00 0.39 C ATOM 382 O LEU A 26 -7.825 4.683 -1.925 1.00 0.44 O ATOM 383 CB LEU A 26 -9.860 3.098 -0.416 1.00 0.44 C ATOM 384 CG LEU A 26 -10.448 2.723 0.948 1.00 0.36 C ATOM 385 CD1 LEU A 26 -10.006 1.328 1.354 1.00 0.46 C ATOM 386 CD2 LEU A 26 -10.039 3.736 2.006 1.00 0.43 C ATOM 0 H LEU A 26 -10.393 4.245 -2.762 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.366 5.125 0.067 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -10.390 2.539 -1.188 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.820 2.774 -0.446 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.535 2.732 0.864 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -10.433 1.079 2.325 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -10.348 0.607 0.611 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -8.918 1.295 1.417 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -10.467 3.451 2.967 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -8.952 3.760 2.086 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -10.404 4.724 1.725 1.00 0.43 H new ATOM 398 N GLU A 27 -8.131 6.126 -0.239 1.00 0.41 N ATOM 399 CA GLU A 27 -6.839 6.763 -0.416 1.00 0.47 C ATOM 400 C GLU A 27 -5.823 6.197 0.563 1.00 0.41 C ATOM 401 O GLU A 27 -5.796 6.573 1.735 1.00 0.48 O ATOM 402 CB GLU A 27 -6.968 8.273 -0.227 1.00 0.51 C ATOM 403 CG GLU A 27 -5.863 9.072 -0.896 1.00 0.99 C ATOM 404 CD GLU A 27 -5.949 10.554 -0.588 1.00 1.26 C ATOM 405 OE1 GLU A 27 -6.872 10.960 0.145 1.00 1.63 O ATOM 406 OE2 GLU A 27 -5.099 11.323 -1.084 1.00 1.82 O ATOM 0 H GLU A 27 -8.697 6.518 0.514 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.490 6.561 -1.429 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -7.930 8.598 -0.624 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -6.971 8.497 0.840 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -4.895 8.692 -0.569 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -5.915 8.925 -1.975 1.00 0.99 H new ATOM 413 N VAL A 28 -4.963 5.325 0.067 1.00 0.40 N ATOM 414 CA VAL A 28 -3.893 4.772 0.878 1.00 0.38 C ATOM 415 C VAL A 28 -2.693 5.700 0.829 1.00 0.35 C ATOM 416 O VAL A 28 -2.053 5.841 -0.212 1.00 0.42 O ATOM 417 CB VAL A 28 -3.451 3.366 0.408 1.00 0.49 C ATOM 418 CG1 VAL A 28 -3.276 2.431 1.593 1.00 0.61 C ATOM 419 CG2 VAL A 28 -4.434 2.776 -0.589 1.00 0.68 C ATOM 0 H VAL A 28 -4.985 4.984 -0.894 1.00 0.40 H new ATOM 0 HA VAL A 28 -4.278 4.677 1.893 1.00 0.38 H new ATOM 0 HB VAL A 28 -2.490 3.477 -0.094 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -2.965 1.448 1.238 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -2.516 2.832 2.264 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -4.221 2.341 2.128 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -4.091 1.788 -0.897 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.416 2.691 -0.124 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -4.501 3.425 -1.462 1.00 0.68 H new ATOM 429 N THR A 29 -2.439 6.384 1.924 1.00 0.31 N ATOM 430 CA THR A 29 -1.345 7.336 1.987 1.00 0.30 C ATOM 431 C THR A 29 -0.269 6.843 2.946 1.00 0.28 C ATOM 432 O THR A 29 -0.571 6.460 4.072 1.00 0.31 O ATOM 433 CB THR A 29 -1.846 8.717 2.441 1.00 0.35 C ATOM 434 OG1 THR A 29 -3.070 8.581 3.183 1.00 0.69 O ATOM 435 CG2 THR A 29 -2.076 9.624 1.244 1.00 0.59 C ATOM 0 H THR A 29 -2.976 6.300 2.787 1.00 0.31 H new ATOM 0 HA THR A 29 -0.922 7.428 0.987 1.00 0.30 H new ATOM 0 HB THR A 29 -1.084 9.163 3.080 1.00 0.35 H new ATOM 0 HG1 THR A 29 -2.983 7.846 3.826 1.00 0.69 H new ATOM 0 HG21 THR A 29 -2.430 10.596 1.587 1.00 0.59 H new ATOM 0 HG22 THR A 29 -1.141 9.750 0.698 1.00 0.59 H new ATOM 0 HG23 THR A 29 -2.822 9.177 0.587 1.00 0.59 H new ATOM 443 N TRP A 30 0.970 6.800 2.480 1.00 0.27 N ATOM 444 CA TRP A 30 2.069 6.302 3.296 1.00 0.28 C ATOM 445 C TRP A 30 3.324 7.135 3.079 1.00 0.27 C ATOM 446 O TRP A 30 3.332 8.073 2.281 1.00 0.33 O ATOM 447 CB TRP A 30 2.363 4.834 2.962 1.00 0.29 C ATOM 448 CG TRP A 30 2.669 4.604 1.512 1.00 0.25 C ATOM 449 CD1 TRP A 30 3.878 4.746 0.895 1.00 0.40 C ATOM 450 CD2 TRP A 30 1.747 4.198 0.499 1.00 0.25 C ATOM 451 NE1 TRP A 30 3.758 4.467 -0.443 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.459 4.126 -0.711 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.387 3.892 0.497 1.00 0.39 C ATOM 454 CZ2 TRP A 30 1.852 3.762 -1.911 1.00 0.41 C ATOM 455 CZ3 TRP A 30 -0.214 3.532 -0.691 1.00 0.49 C ATOM 456 CH2 TRP A 30 0.517 3.469 -1.880 1.00 0.46 C ATOM 0 H TRP A 30 1.240 7.103 1.544 1.00 0.27 H new ATOM 0 HA TRP A 30 1.772 6.379 4.342 1.00 0.28 H new ATOM 0 HB2 TRP A 30 3.207 4.494 3.562 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.504 4.225 3.246 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.795 5.035 1.388 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.514 4.507 -1.127 1.00 0.44 H new ATOM 0 HE3 TRP A 30 -0.187 3.936 1.411 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 2.415 3.713 -2.831 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -1.268 3.295 -0.702 1.00 0.49 H new ATOM 0 HH2 TRP A 30 0.017 3.183 -2.794 1.00 0.46 H new ATOM 467 N GLN A 31 4.394 6.730 3.737 1.00 0.28 N ATOM 468 CA GLN A 31 5.692 7.351 3.571 1.00 0.29 C ATOM 469 C GLN A 31 6.773 6.291 3.730 1.00 0.29 C ATOM 470 O GLN A 31 6.471 5.130 4.020 1.00 0.29 O ATOM 471 CB GLN A 31 5.885 8.466 4.602 1.00 0.32 C ATOM 472 CG GLN A 31 5.692 9.861 4.029 1.00 0.64 C ATOM 473 CD GLN A 31 6.638 10.152 2.880 1.00 0.85 C ATOM 474 OE1 GLN A 31 7.811 9.775 2.914 1.00 1.65 O ATOM 475 NE2 GLN A 31 6.145 10.829 1.860 1.00 0.79 N ATOM 0 H GLN A 31 4.386 5.958 4.404 1.00 0.28 H new ATOM 0 HA GLN A 31 5.759 7.793 2.577 1.00 0.29 H new ATOM 0 HB2 GLN A 31 5.182 8.318 5.422 1.00 0.32 H new ATOM 0 HB3 GLN A 31 6.887 8.390 5.024 1.00 0.32 H new ATOM 0 HG2 GLN A 31 4.663 9.970 3.685 1.00 0.64 H new ATOM 0 HG3 GLN A 31 5.845 10.598 4.817 1.00 0.64 H new ATOM 0 HE21 GLN A 31 5.169 11.124 1.868 1.00 0.79 H new ATOM 0 HE22 GLN A 31 6.740 11.057 1.064 1.00 0.79 H new ATOM 484 N THR A 32 8.023 6.677 3.547 1.00 0.34 N ATOM 485 CA THR A 32 9.123 5.742 3.693 1.00 0.36 C ATOM 486 C THR A 32 9.369 5.434 5.165 1.00 0.41 C ATOM 487 O THR A 32 9.044 6.242 6.038 1.00 0.49 O ATOM 488 CB THR A 32 10.417 6.296 3.072 1.00 0.42 C ATOM 489 OG1 THR A 32 10.610 7.657 3.483 1.00 0.49 O ATOM 490 CG2 THR A 32 10.363 6.229 1.555 1.00 0.49 C ATOM 0 H THR A 32 8.300 7.626 3.298 1.00 0.34 H new ATOM 0 HA THR A 32 8.845 4.829 3.167 1.00 0.36 H new ATOM 0 HB THR A 32 11.250 5.685 3.418 1.00 0.42 H new ATOM 0 HG1 THR A 32 11.563 7.818 3.644 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.289 6.626 1.140 1.00 0.49 H new ATOM 0 HG22 THR A 32 10.240 5.193 1.241 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.521 6.820 1.194 1.00 0.49 H new ATOM 498 N PRO A 33 9.960 4.270 5.462 1.00 0.39 N ATOM 499 CA PRO A 33 10.310 3.898 6.833 1.00 0.46 C ATOM 500 C PRO A 33 11.345 4.853 7.416 1.00 0.56 C ATOM 501 O PRO A 33 12.160 5.416 6.684 1.00 0.60 O ATOM 502 CB PRO A 33 10.900 2.495 6.684 1.00 0.46 C ATOM 503 CG PRO A 33 11.358 2.423 5.270 1.00 0.42 C ATOM 504 CD PRO A 33 10.384 3.250 4.488 1.00 0.35 C ATOM 0 HA PRO A 33 9.455 3.936 7.508 1.00 0.46 H new ATOM 0 HB2 PRO A 33 11.727 2.338 7.376 1.00 0.46 H new ATOM 0 HB3 PRO A 33 10.156 1.728 6.898 1.00 0.46 H new ATOM 0 HG2 PRO A 33 12.372 2.809 5.166 1.00 0.42 H new ATOM 0 HG3 PRO A 33 11.372 1.393 4.914 1.00 0.42 H new ATOM 0 HD2 PRO A 33 10.849 3.699 3.610 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.542 2.655 4.134 1.00 0.35 H new ATOM 512 N SER A 34 11.320 5.025 8.727 1.00 0.66 N ATOM 513 CA SER A 34 12.243 5.923 9.403 1.00 0.80 C ATOM 514 C SER A 34 13.692 5.466 9.231 1.00 0.86 C ATOM 515 O SER A 34 14.624 6.268 9.302 1.00 0.96 O ATOM 516 CB SER A 34 11.875 5.992 10.883 1.00 0.92 C ATOM 517 OG SER A 34 10.638 5.329 11.120 1.00 1.02 O ATOM 0 H SER A 34 10.665 4.551 9.349 1.00 0.66 H new ATOM 0 HA SER A 34 12.161 6.914 8.957 1.00 0.80 H new ATOM 0 HB2 SER A 34 12.661 5.532 11.481 1.00 0.92 H new ATOM 0 HB3 SER A 34 11.803 7.033 11.198 1.00 0.92 H new ATOM 0 HG SER A 34 10.417 5.380 12.073 1.00 1.02 H new ATOM 523 N THR A 35 13.872 4.172 8.992 1.00 0.82 N ATOM 524 CA THR A 35 15.197 3.603 8.813 1.00 0.91 C ATOM 525 C THR A 35 15.703 3.782 7.381 1.00 0.92 C ATOM 526 O THR A 35 16.839 3.425 7.067 1.00 1.11 O ATOM 527 CB THR A 35 15.197 2.108 9.168 1.00 0.89 C ATOM 528 OG1 THR A 35 14.001 1.783 9.894 1.00 0.85 O ATOM 529 CG2 THR A 35 16.418 1.746 10.002 1.00 1.08 C ATOM 0 H THR A 35 13.111 3.497 8.918 1.00 0.82 H new ATOM 0 HA THR A 35 15.867 4.139 9.485 1.00 0.91 H new ATOM 0 HB THR A 35 15.231 1.535 8.242 1.00 0.89 H new ATOM 0 HG1 THR A 35 13.954 0.814 10.030 1.00 0.85 H new ATOM 0 HG21 THR A 35 16.394 0.683 10.240 1.00 1.08 H new ATOM 0 HG22 THR A 35 17.323 1.971 9.438 1.00 1.08 H new ATOM 0 HG23 THR A 35 16.412 2.325 10.926 1.00 1.08 H new ATOM 537 N TRP A 36 14.873 4.356 6.518 1.00 0.80 N ATOM 538 CA TRP A 36 15.266 4.595 5.136 1.00 0.83 C ATOM 539 C TRP A 36 15.811 6.011 4.974 1.00 1.00 C ATOM 540 O TRP A 36 15.249 6.961 5.520 1.00 1.09 O ATOM 541 CB TRP A 36 14.083 4.364 4.192 1.00 0.74 C ATOM 542 CG TRP A 36 14.461 4.455 2.747 1.00 0.78 C ATOM 543 CD1 TRP A 36 14.101 5.435 1.874 1.00 0.86 C ATOM 544 CD2 TRP A 36 15.286 3.541 2.011 1.00 0.87 C ATOM 545 NE1 TRP A 36 14.654 5.194 0.643 1.00 0.97 N ATOM 546 CE2 TRP A 36 15.386 4.040 0.700 1.00 0.98 C ATOM 547 CE3 TRP A 36 15.954 2.355 2.332 1.00 0.97 C ATOM 548 CZ2 TRP A 36 16.123 3.396 -0.289 1.00 1.14 C ATOM 549 CZ3 TRP A 36 16.686 1.715 1.350 1.00 1.14 C ATOM 550 CH2 TRP A 36 16.768 2.238 0.053 1.00 1.21 C ATOM 0 H TRP A 36 13.928 4.663 6.750 1.00 0.80 H new ATOM 0 HA TRP A 36 16.055 3.889 4.876 1.00 0.83 H new ATOM 0 HB2 TRP A 36 13.655 3.381 4.389 1.00 0.74 H new ATOM 0 HB3 TRP A 36 13.306 5.098 4.406 1.00 0.74 H new ATOM 0 HD1 TRP A 36 13.472 6.279 2.116 1.00 0.86 H new ATOM 0 HE1 TRP A 36 14.538 5.781 -0.183 1.00 0.97 H new ATOM 0 HE3 TRP A 36 15.899 1.946 3.330 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 16.184 3.795 -1.291 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 17.203 0.797 1.586 1.00 1.14 H new ATOM 0 HH2 TRP A 36 17.352 1.717 -0.692 1.00 1.21 H new ATOM 561 N PRO A 37 16.984 6.146 4.329 1.00 1.20 N ATOM 562 CA PRO A 37 17.686 7.429 4.191 1.00 1.44 C ATOM 563 C PRO A 37 16.839 8.546 3.566 1.00 1.34 C ATOM 564 O PRO A 37 16.304 9.391 4.284 1.00 1.49 O ATOM 565 CB PRO A 37 18.881 7.082 3.301 1.00 1.76 C ATOM 566 CG PRO A 37 19.144 5.646 3.575 1.00 1.78 C ATOM 567 CD PRO A 37 17.798 5.024 3.817 1.00 1.34 C ATOM 0 HA PRO A 37 17.957 7.835 5.166 1.00 1.44 H new ATOM 0 HB2 PRO A 37 18.654 7.250 2.248 1.00 1.76 H new ATOM 0 HB3 PRO A 37 19.748 7.697 3.542 1.00 1.76 H new ATOM 0 HG2 PRO A 37 19.648 5.173 2.732 1.00 1.78 H new ATOM 0 HG3 PRO A 37 19.792 5.526 4.443 1.00 1.78 H new ATOM 0 HD2 PRO A 37 17.378 4.609 2.901 1.00 1.34 H new ATOM 0 HD3 PRO A 37 17.857 4.209 4.539 1.00 1.34 H new ATOM 575 N ASP A 38 16.805 8.621 2.236 1.00 1.33 N ATOM 576 CA ASP A 38 16.135 9.730 1.564 1.00 1.35 C ATOM 577 C ASP A 38 14.679 9.417 1.252 1.00 1.29 C ATOM 578 O ASP A 38 14.376 8.489 0.502 1.00 1.42 O ATOM 579 CB ASP A 38 16.867 10.114 0.282 1.00 1.65 C ATOM 580 CG ASP A 38 16.655 11.570 -0.071 1.00 1.90 C ATOM 581 OD1 ASP A 38 17.368 12.432 0.480 1.00 2.28 O ATOM 582 OD2 ASP A 38 15.759 11.864 -0.886 1.00 2.16 O ATOM 0 H ASP A 38 17.228 7.936 1.610 1.00 1.33 H new ATOM 0 HA ASP A 38 16.156 10.573 2.255 1.00 1.35 H new ATOM 0 HB2 ASP A 38 17.933 9.920 0.400 1.00 1.65 H new ATOM 0 HB3 ASP A 38 16.518 9.487 -0.538 1.00 1.65 H new ATOM 587 N PRO A 39 13.756 10.211 1.811 1.00 1.31 N ATOM 588 CA PRO A 39 12.321 10.042 1.613 1.00 1.44 C ATOM 589 C PRO A 39 11.806 10.781 0.378 1.00 1.61 C ATOM 590 O PRO A 39 10.596 10.936 0.199 1.00 1.84 O ATOM 591 CB PRO A 39 11.712 10.656 2.884 1.00 1.62 C ATOM 592 CG PRO A 39 12.854 11.237 3.664 1.00 1.69 C ATOM 593 CD PRO A 39 14.024 11.316 2.727 1.00 1.44 C ATOM 0 HA PRO A 39 12.058 8.997 1.451 1.00 1.44 H new ATOM 0 HB2 PRO A 39 10.983 11.426 2.632 1.00 1.62 H new ATOM 0 HB3 PRO A 39 11.188 9.899 3.468 1.00 1.62 H new ATOM 0 HG2 PRO A 39 12.598 12.225 4.046 1.00 1.69 H new ATOM 0 HG3 PRO A 39 13.090 10.613 4.526 1.00 1.69 H new ATOM 0 HD2 PRO A 39 14.067 12.274 2.209 1.00 1.44 H new ATOM 0 HD3 PRO A 39 14.973 11.192 3.248 1.00 1.44 H new ATOM 601 N GLU A 40 12.720 11.246 -0.465 1.00 1.57 N ATOM 602 CA GLU A 40 12.342 11.968 -1.674 1.00 1.76 C ATOM 603 C GLU A 40 12.943 11.306 -2.912 1.00 1.76 C ATOM 604 O GLU A 40 12.237 11.011 -3.874 1.00 1.90 O ATOM 605 CB GLU A 40 12.789 13.428 -1.589 1.00 1.90 C ATOM 606 CG GLU A 40 12.038 14.349 -2.537 1.00 2.12 C ATOM 607 CD GLU A 40 11.028 15.229 -1.826 1.00 2.36 C ATOM 608 OE1 GLU A 40 10.504 14.816 -0.770 1.00 2.91 O ATOM 609 OE2 GLU A 40 10.750 16.340 -2.322 1.00 2.63 O ATOM 0 H GLU A 40 13.726 11.137 -0.334 1.00 1.57 H new ATOM 0 HA GLU A 40 11.256 11.938 -1.759 1.00 1.76 H new ATOM 0 HB2 GLU A 40 12.653 13.782 -0.567 1.00 1.90 H new ATOM 0 HB3 GLU A 40 13.855 13.486 -1.807 1.00 1.90 H new ATOM 0 HG2 GLU A 40 12.753 14.979 -3.066 1.00 2.12 H new ATOM 0 HG3 GLU A 40 11.525 13.749 -3.288 1.00 2.12 H new ATOM 616 N SER A 41 14.242 11.053 -2.869 1.00 1.67 N ATOM 617 CA SER A 41 14.941 10.428 -3.985 1.00 1.75 C ATOM 618 C SER A 41 15.065 8.919 -3.778 1.00 1.63 C ATOM 619 O SER A 41 16.058 8.303 -4.168 1.00 1.67 O ATOM 620 CB SER A 41 16.332 11.045 -4.146 1.00 1.82 C ATOM 621 OG SER A 41 16.463 12.230 -3.375 1.00 1.89 O ATOM 0 H SER A 41 14.837 11.272 -2.070 1.00 1.67 H new ATOM 0 HA SER A 41 14.360 10.605 -4.890 1.00 1.75 H new ATOM 0 HB2 SER A 41 17.090 10.324 -3.840 1.00 1.82 H new ATOM 0 HB3 SER A 41 16.513 11.271 -5.197 1.00 1.82 H new ATOM 0 HG SER A 41 16.568 11.995 -2.429 1.00 1.89 H new ATOM 627 N PHE A 42 14.070 8.337 -3.129 1.00 1.51 N ATOM 628 CA PHE A 42 14.074 6.914 -2.840 1.00 1.41 C ATOM 629 C PHE A 42 13.715 6.100 -4.079 1.00 1.27 C ATOM 630 O PHE A 42 12.654 6.288 -4.677 1.00 1.40 O ATOM 631 CB PHE A 42 13.098 6.595 -1.697 1.00 1.58 C ATOM 632 CG PHE A 42 11.675 7.020 -1.951 1.00 2.08 C ATOM 633 CD1 PHE A 42 11.309 8.351 -1.849 1.00 2.38 C ATOM 634 CD2 PHE A 42 10.711 6.089 -2.292 1.00 2.54 C ATOM 635 CE1 PHE A 42 10.007 8.746 -2.082 1.00 3.01 C ATOM 636 CE2 PHE A 42 9.405 6.478 -2.525 1.00 3.12 C ATOM 637 CZ PHE A 42 9.051 7.801 -2.417 1.00 3.32 C ATOM 0 H PHE A 42 13.245 8.832 -2.791 1.00 1.51 H new ATOM 0 HA PHE A 42 15.082 6.638 -2.531 1.00 1.41 H new ATOM 0 HB2 PHE A 42 13.115 5.521 -1.511 1.00 1.58 H new ATOM 0 HB3 PHE A 42 13.452 7.081 -0.788 1.00 1.58 H new ATOM 0 HD1 PHE A 42 12.051 9.089 -1.584 1.00 2.38 H new ATOM 0 HD2 PHE A 42 10.981 5.047 -2.377 1.00 2.54 H new ATOM 0 HE1 PHE A 42 9.735 9.788 -2.003 1.00 3.01 H new ATOM 0 HE2 PHE A 42 8.662 5.741 -2.792 1.00 3.12 H new ATOM 0 HZ PHE A 42 8.029 8.104 -2.593 1.00 3.32 H new ATOM 647 N PRO A 43 14.575 5.155 -4.462 1.00 1.24 N ATOM 648 CA PRO A 43 14.306 4.250 -5.561 1.00 1.33 C ATOM 649 C PRO A 43 13.545 3.024 -5.069 1.00 1.26 C ATOM 650 O PRO A 43 14.092 1.927 -4.993 1.00 1.97 O ATOM 651 CB PRO A 43 15.706 3.876 -6.039 1.00 1.58 C ATOM 652 CG PRO A 43 16.582 3.983 -4.826 1.00 1.75 C ATOM 653 CD PRO A 43 15.856 4.838 -3.811 1.00 1.40 C ATOM 0 HA PRO A 43 13.688 4.684 -6.347 1.00 1.33 H new ATOM 0 HB2 PRO A 43 15.725 2.866 -6.449 1.00 1.58 H new ATOM 0 HB3 PRO A 43 16.044 4.547 -6.828 1.00 1.58 H new ATOM 0 HG2 PRO A 43 16.790 2.995 -4.416 1.00 1.75 H new ATOM 0 HG3 PRO A 43 17.542 4.429 -5.085 1.00 1.75 H new ATOM 0 HD2 PRO A 43 15.705 4.303 -2.873 1.00 1.40 H new ATOM 0 HD3 PRO A 43 16.418 5.742 -3.575 1.00 1.40 H new ATOM 661 N LEU A 44 12.345 3.261 -4.558 1.00 0.98 N ATOM 662 CA LEU A 44 11.590 2.216 -3.886 1.00 0.82 C ATOM 663 C LEU A 44 10.377 1.787 -4.696 1.00 0.78 C ATOM 664 O LEU A 44 9.529 2.606 -5.060 1.00 0.98 O ATOM 665 CB LEU A 44 11.142 2.695 -2.505 1.00 0.83 C ATOM 666 CG LEU A 44 11.882 2.075 -1.316 1.00 0.70 C ATOM 667 CD1 LEU A 44 13.359 1.909 -1.628 1.00 1.54 C ATOM 668 CD2 LEU A 44 11.689 2.924 -0.069 1.00 1.29 C ATOM 0 H LEU A 44 11.875 4.166 -4.596 1.00 0.98 H new ATOM 0 HA LEU A 44 12.248 1.353 -3.781 1.00 0.82 H new ATOM 0 HB2 LEU A 44 11.261 3.777 -2.460 1.00 0.83 H new ATOM 0 HB3 LEU A 44 10.078 2.487 -2.396 1.00 0.83 H new ATOM 0 HG LEU A 44 11.462 1.087 -1.129 1.00 0.70 H new ATOM 0 HD11 LEU A 44 13.865 1.467 -0.770 1.00 1.54 H new ATOM 0 HD12 LEU A 44 13.477 1.257 -2.494 1.00 1.54 H new ATOM 0 HD13 LEU A 44 13.797 2.883 -1.845 1.00 1.54 H new ATOM 0 HD21 LEU A 44 12.221 2.469 0.767 1.00 1.29 H new ATOM 0 HD22 LEU A 44 12.080 3.926 -0.247 1.00 1.29 H new ATOM 0 HD23 LEU A 44 10.627 2.986 0.168 1.00 1.29 H new ATOM 680 N LYS A 45 10.245 0.485 -4.866 1.00 0.70 N ATOM 681 CA LYS A 45 9.075 -0.090 -5.495 1.00 0.68 C ATOM 682 C LYS A 45 8.103 -0.555 -4.420 1.00 0.60 C ATOM 683 O LYS A 45 8.393 -1.495 -3.678 1.00 0.76 O ATOM 684 CB LYS A 45 9.473 -1.265 -6.388 1.00 0.78 C ATOM 685 CG LYS A 45 10.132 -0.845 -7.693 1.00 1.13 C ATOM 686 CD LYS A 45 9.492 -1.534 -8.887 1.00 1.25 C ATOM 687 CE LYS A 45 8.156 -0.902 -9.248 1.00 1.41 C ATOM 688 NZ LYS A 45 7.994 -0.731 -10.717 1.00 1.75 N ATOM 0 H LYS A 45 10.943 -0.199 -4.573 1.00 0.70 H new ATOM 0 HA LYS A 45 8.595 0.666 -6.116 1.00 0.68 H new ATOM 0 HB2 LYS A 45 10.156 -1.913 -5.838 1.00 0.78 H new ATOM 0 HB3 LYS A 45 8.585 -1.856 -6.613 1.00 0.78 H new ATOM 0 HG2 LYS A 45 10.053 0.236 -7.810 1.00 1.13 H new ATOM 0 HG3 LYS A 45 11.195 -1.086 -7.659 1.00 1.13 H new ATOM 0 HD2 LYS A 45 10.164 -1.479 -9.743 1.00 1.25 H new ATOM 0 HD3 LYS A 45 9.347 -2.591 -8.663 1.00 1.25 H new ATOM 0 HE2 LYS A 45 7.347 -1.523 -8.865 1.00 1.41 H new ATOM 0 HE3 LYS A 45 8.071 0.069 -8.759 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 7.493 0.160 -10.910 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 8.930 -0.706 -11.169 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 7.446 -1.527 -11.101 1.00 1.75 H new ATOM 702 N PHE A 46 6.998 0.158 -4.278 1.00 0.46 N ATOM 703 CA PHE A 46 6.018 -0.158 -3.251 1.00 0.41 C ATOM 704 C PHE A 46 5.013 -1.169 -3.777 1.00 0.44 C ATOM 705 O PHE A 46 4.336 -0.924 -4.771 1.00 0.58 O ATOM 706 CB PHE A 46 5.301 1.109 -2.784 1.00 0.42 C ATOM 707 CG PHE A 46 6.108 1.926 -1.817 1.00 0.37 C ATOM 708 CD1 PHE A 46 6.041 1.681 -0.454 1.00 0.41 C ATOM 709 CD2 PHE A 46 6.937 2.939 -2.272 1.00 0.45 C ATOM 710 CE1 PHE A 46 6.786 2.430 0.437 1.00 0.47 C ATOM 711 CE2 PHE A 46 7.684 3.691 -1.386 1.00 0.48 C ATOM 712 CZ PHE A 46 7.609 3.436 -0.030 1.00 0.47 C ATOM 0 H PHE A 46 6.757 0.960 -4.861 1.00 0.46 H new ATOM 0 HA PHE A 46 6.539 -0.593 -2.398 1.00 0.41 H new ATOM 0 HB2 PHE A 46 5.058 1.722 -3.652 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.357 0.832 -2.315 1.00 0.42 H new ATOM 0 HD1 PHE A 46 5.399 0.895 -0.084 1.00 0.41 H new ATOM 0 HD2 PHE A 46 7.000 3.143 -3.331 1.00 0.45 H new ATOM 0 HE1 PHE A 46 6.725 2.229 1.496 1.00 0.47 H new ATOM 0 HE2 PHE A 46 8.326 4.478 -1.753 1.00 0.48 H new ATOM 0 HZ PHE A 46 8.193 4.023 0.664 1.00 0.47 H new ATOM 722 N PHE A 47 4.942 -2.316 -3.128 1.00 0.40 N ATOM 723 CA PHE A 47 4.040 -3.370 -3.556 1.00 0.44 C ATOM 724 C PHE A 47 2.803 -3.384 -2.679 1.00 0.39 C ATOM 725 O PHE A 47 2.898 -3.469 -1.453 1.00 0.59 O ATOM 726 CB PHE A 47 4.742 -4.727 -3.520 1.00 0.55 C ATOM 727 CG PHE A 47 6.038 -4.737 -4.277 1.00 0.53 C ATOM 728 CD1 PHE A 47 6.079 -4.378 -5.613 1.00 0.60 C ATOM 729 CD2 PHE A 47 7.214 -5.117 -3.651 1.00 0.65 C ATOM 730 CE1 PHE A 47 7.269 -4.398 -6.311 1.00 0.68 C ATOM 731 CE2 PHE A 47 8.407 -5.139 -4.346 1.00 0.75 C ATOM 732 CZ PHE A 47 8.433 -4.737 -5.679 1.00 0.73 C ATOM 0 H PHE A 47 5.497 -2.542 -2.303 1.00 0.40 H new ATOM 0 HA PHE A 47 3.736 -3.174 -4.584 1.00 0.44 H new ATOM 0 HB2 PHE A 47 4.931 -5.005 -2.483 1.00 0.55 H new ATOM 0 HB3 PHE A 47 4.078 -5.484 -3.937 1.00 0.55 H new ATOM 0 HD1 PHE A 47 5.170 -4.079 -6.114 1.00 0.60 H new ATOM 0 HD2 PHE A 47 7.198 -5.399 -2.609 1.00 0.65 H new ATOM 0 HE1 PHE A 47 7.281 -4.145 -7.361 1.00 0.68 H new ATOM 0 HE2 PHE A 47 9.314 -5.466 -3.859 1.00 0.75 H new ATOM 0 HZ PHE A 47 9.371 -4.693 -6.213 1.00 0.73 H new ATOM 742 N LEU A 48 1.664 -3.149 -3.302 1.00 0.33 N ATOM 743 CA LEU A 48 0.422 -2.993 -2.575 1.00 0.35 C ATOM 744 C LEU A 48 -0.593 -4.053 -2.978 1.00 0.35 C ATOM 745 O LEU A 48 -0.927 -4.197 -4.156 1.00 0.57 O ATOM 746 CB LEU A 48 -0.153 -1.603 -2.839 1.00 0.44 C ATOM 747 CG LEU A 48 -1.169 -1.112 -1.814 1.00 0.72 C ATOM 748 CD1 LEU A 48 -0.699 0.184 -1.182 1.00 1.02 C ATOM 749 CD2 LEU A 48 -2.530 -0.927 -2.463 1.00 1.05 C ATOM 0 H LEU A 48 1.575 -3.062 -4.314 1.00 0.33 H new ATOM 0 HA LEU A 48 0.632 -3.113 -1.512 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.670 -0.890 -2.881 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -0.624 -1.604 -3.822 1.00 0.44 H new ATOM 0 HG LEU A 48 -1.261 -1.863 -1.030 1.00 0.72 H new ATOM 0 HD11 LEU A 48 -1.435 0.521 -0.453 1.00 1.02 H new ATOM 0 HD12 LEU A 48 0.257 0.020 -0.684 1.00 1.02 H new ATOM 0 HD13 LEU A 48 -0.580 0.943 -1.955 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -3.244 -0.576 -1.718 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -2.454 -0.194 -3.266 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -2.870 -1.878 -2.872 1.00 1.05 H new ATOM 761 N ARG A 49 -1.159 -4.713 -1.984 1.00 0.26 N ATOM 762 CA ARG A 49 -2.243 -5.656 -2.209 1.00 0.27 C ATOM 763 C ARG A 49 -3.382 -5.342 -1.256 1.00 0.24 C ATOM 764 O ARG A 49 -3.156 -5.128 -0.070 1.00 0.30 O ATOM 765 CB ARG A 49 -1.777 -7.104 -2.014 1.00 0.34 C ATOM 766 CG ARG A 49 -0.565 -7.259 -1.110 1.00 0.44 C ATOM 767 CD ARG A 49 -0.210 -8.722 -0.901 1.00 0.75 C ATOM 768 NE ARG A 49 -0.324 -9.505 -2.133 1.00 1.07 N ATOM 769 CZ ARG A 49 -0.262 -10.837 -2.173 1.00 1.28 C ATOM 770 NH1 ARG A 49 -0.057 -11.531 -1.060 1.00 1.64 N ATOM 771 NH2 ARG A 49 -0.404 -11.476 -3.328 1.00 2.02 N ATOM 0 H ARG A 49 -0.885 -4.613 -1.007 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.582 -5.555 -3.240 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -2.601 -7.685 -1.599 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -1.544 -7.532 -2.989 1.00 0.34 H new ATOM 0 HG2 ARG A 49 0.286 -6.736 -1.547 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -0.766 -6.791 -0.146 1.00 0.44 H new ATOM 0 HD2 ARG A 49 0.809 -8.795 -0.520 1.00 0.75 H new ATOM 0 HD3 ARG A 49 -0.866 -9.147 -0.141 1.00 0.75 H new ATOM 0 HE ARG A 49 -0.459 -9.003 -3.011 1.00 1.07 H new ATOM 0 HH11 ARG A 49 0.054 -11.046 -0.170 1.00 1.64 H new ATOM 0 HH12 ARG A 49 -0.010 -12.549 -1.095 1.00 1.64 H new ATOM 0 HH21 ARG A 49 -0.561 -10.948 -4.187 1.00 2.02 H new ATOM 0 HH22 ARG A 49 -0.356 -12.494 -3.357 1.00 2.02 H new ATOM 785 N TYR A 50 -4.595 -5.268 -1.776 1.00 0.26 N ATOM 786 CA TYR A 50 -5.745 -4.930 -0.956 1.00 0.27 C ATOM 787 C TYR A 50 -6.847 -5.967 -1.118 1.00 0.28 C ATOM 788 O TYR A 50 -7.470 -6.075 -2.173 1.00 0.36 O ATOM 789 CB TYR A 50 -6.263 -3.515 -1.271 1.00 0.35 C ATOM 790 CG TYR A 50 -6.399 -3.165 -2.744 1.00 0.49 C ATOM 791 CD1 TYR A 50 -5.284 -3.049 -3.573 1.00 0.70 C ATOM 792 CD2 TYR A 50 -7.648 -2.911 -3.296 1.00 0.60 C ATOM 793 CE1 TYR A 50 -5.418 -2.703 -4.902 1.00 0.90 C ATOM 794 CE2 TYR A 50 -7.787 -2.559 -4.625 1.00 0.79 C ATOM 795 CZ TYR A 50 -6.670 -2.457 -5.422 1.00 0.90 C ATOM 796 OH TYR A 50 -6.805 -2.101 -6.745 1.00 1.13 O ATOM 0 H TYR A 50 -4.809 -5.437 -2.759 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.425 -4.936 0.086 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.237 -3.393 -0.798 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -5.591 -2.793 -0.807 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -4.300 -3.233 -3.168 1.00 0.70 H new ATOM 0 HD2 TYR A 50 -8.528 -2.990 -2.674 1.00 0.60 H new ATOM 0 HE1 TYR A 50 -4.545 -2.625 -5.532 1.00 0.90 H new ATOM 0 HE2 TYR A 50 -8.767 -2.365 -5.036 1.00 0.79 H new ATOM 0 HH TYR A 50 -7.693 -2.364 -7.066 1.00 1.13 H new ATOM 806 N ARG A 51 -6.999 -6.797 -0.094 1.00 0.29 N ATOM 807 CA ARG A 51 -7.960 -7.893 -0.113 1.00 0.34 C ATOM 808 C ARG A 51 -9.307 -7.457 0.453 1.00 0.29 C ATOM 809 O ARG A 51 -9.428 -7.173 1.645 1.00 0.33 O ATOM 810 CB ARG A 51 -7.412 -9.075 0.690 1.00 0.46 C ATOM 811 CG ARG A 51 -8.136 -10.387 0.436 1.00 0.64 C ATOM 812 CD ARG A 51 -7.344 -11.586 0.947 1.00 1.25 C ATOM 813 NE ARG A 51 -6.719 -11.327 2.242 1.00 1.72 N ATOM 814 CZ ARG A 51 -7.333 -11.479 3.417 1.00 2.29 C ATOM 815 NH1 ARG A 51 -8.539 -12.030 3.479 1.00 2.62 N ATOM 816 NH2 ARG A 51 -6.706 -11.140 4.534 1.00 3.10 N ATOM 0 H ARG A 51 -6.462 -6.730 0.770 1.00 0.29 H new ATOM 0 HA ARG A 51 -8.113 -8.196 -1.149 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.356 -9.203 0.452 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -7.473 -8.838 1.752 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -9.111 -10.363 0.923 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -8.316 -10.501 -0.633 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -8.007 -12.447 1.032 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -6.574 -11.847 0.220 1.00 1.25 H new ATOM 0 HE ARG A 51 -5.750 -11.009 2.248 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -9.002 -12.340 2.625 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -9.002 -12.143 4.381 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -5.758 -10.765 4.493 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -7.171 -11.254 5.435 1.00 3.10 H new ATOM 830 N PRO A 52 -10.345 -7.421 -0.395 1.00 0.32 N ATOM 831 CA PRO A 52 -11.705 -7.093 0.029 1.00 0.38 C ATOM 832 C PRO A 52 -12.313 -8.219 0.852 1.00 0.44 C ATOM 833 O PRO A 52 -12.167 -9.392 0.505 1.00 0.51 O ATOM 834 CB PRO A 52 -12.484 -6.936 -1.283 1.00 0.52 C ATOM 835 CG PRO A 52 -11.467 -6.990 -2.377 1.00 0.65 C ATOM 836 CD PRO A 52 -10.277 -7.717 -1.829 1.00 0.45 C ATOM 0 HA PRO A 52 -11.729 -6.201 0.655 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.221 -7.731 -1.396 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -13.028 -5.992 -1.303 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -11.866 -7.506 -3.250 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -11.192 -5.985 -2.698 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -10.333 -8.788 -2.024 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -9.347 -7.361 -2.272 1.00 0.45 H new ATOM 844 N LEU A 53 -12.966 -7.867 1.950 1.00 0.50 N ATOM 845 CA LEU A 53 -13.549 -8.859 2.852 1.00 0.65 C ATOM 846 C LEU A 53 -14.636 -9.688 2.164 1.00 0.81 C ATOM 847 O LEU A 53 -14.944 -10.796 2.596 1.00 1.22 O ATOM 848 CB LEU A 53 -14.125 -8.171 4.091 1.00 0.70 C ATOM 849 CG LEU A 53 -13.421 -8.504 5.407 1.00 0.82 C ATOM 850 CD1 LEU A 53 -11.927 -8.232 5.301 1.00 1.32 C ATOM 851 CD2 LEU A 53 -14.028 -7.705 6.549 1.00 1.40 C ATOM 0 H LEU A 53 -13.108 -6.900 2.241 1.00 0.50 H new ATOM 0 HA LEU A 53 -12.751 -9.539 3.150 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -14.086 -7.092 3.939 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -15.177 -8.442 4.181 1.00 0.70 H new ATOM 0 HG LEU A 53 -13.561 -9.565 5.613 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -11.445 -8.475 6.248 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -11.501 -8.847 4.508 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -11.764 -7.179 5.071 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -13.516 -7.953 7.479 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -13.917 -6.640 6.347 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -15.086 -7.949 6.641 1.00 1.40 H new ATOM 863 N ILE A 54 -15.208 -9.152 1.092 1.00 0.85 N ATOM 864 CA ILE A 54 -16.260 -9.852 0.357 1.00 1.01 C ATOM 865 C ILE A 54 -15.734 -10.434 -0.951 1.00 1.08 C ATOM 866 O ILE A 54 -16.515 -10.802 -1.828 1.00 1.34 O ATOM 867 CB ILE A 54 -17.457 -8.930 0.037 1.00 1.16 C ATOM 868 CG1 ILE A 54 -16.984 -7.495 -0.222 1.00 1.12 C ATOM 869 CG2 ILE A 54 -18.475 -8.965 1.168 1.00 1.27 C ATOM 870 CD1 ILE A 54 -17.889 -6.720 -1.153 1.00 1.46 C ATOM 0 H ILE A 54 -14.963 -8.238 0.712 1.00 0.85 H new ATOM 0 HA ILE A 54 -16.596 -10.658 1.009 1.00 1.01 H new ATOM 0 HB ILE A 54 -17.938 -9.297 -0.870 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -16.916 -6.966 0.729 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -15.980 -7.523 -0.644 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -19.311 -8.310 0.925 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -18.839 -9.984 1.299 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -18.005 -8.626 2.091 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -17.493 -5.714 -1.291 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -17.938 -7.226 -2.117 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -18.889 -6.661 -0.723 1.00 1.46 H new ATOM 882 N LEU A 55 -14.417 -10.490 -1.099 1.00 0.95 N ATOM 883 CA LEU A 55 -13.821 -11.000 -2.326 1.00 1.10 C ATOM 884 C LEU A 55 -12.702 -11.987 -2.019 1.00 1.12 C ATOM 885 O LEU A 55 -12.634 -13.063 -2.611 1.00 1.51 O ATOM 886 CB LEU A 55 -13.271 -9.839 -3.163 1.00 1.25 C ATOM 887 CG LEU A 55 -13.594 -9.877 -4.660 1.00 1.48 C ATOM 888 CD1 LEU A 55 -13.172 -11.202 -5.267 1.00 1.69 C ATOM 889 CD2 LEU A 55 -15.074 -9.625 -4.896 1.00 2.11 C ATOM 0 H LEU A 55 -13.746 -10.191 -0.391 1.00 0.95 H new ATOM 0 HA LEU A 55 -14.595 -11.520 -2.890 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -13.657 -8.906 -2.752 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -12.188 -9.814 -3.046 1.00 1.25 H new ATOM 0 HG LEU A 55 -13.030 -9.083 -5.150 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -13.411 -11.207 -6.331 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -12.098 -11.337 -5.135 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -13.703 -12.015 -4.772 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -15.282 -9.656 -5.965 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -15.659 -10.393 -4.390 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -15.344 -8.645 -4.502 1.00 2.11 H new ATOM 901 N ASP A 56 -11.782 -11.559 -1.162 1.00 1.38 N ATOM 902 CA ASP A 56 -10.573 -12.320 -0.855 1.00 1.54 C ATOM 903 C ASP A 56 -9.709 -12.430 -2.102 1.00 1.19 C ATOM 904 O ASP A 56 -9.395 -13.522 -2.577 1.00 1.44 O ATOM 905 CB ASP A 56 -10.886 -13.706 -0.283 1.00 2.08 C ATOM 906 CG ASP A 56 -9.826 -14.156 0.706 1.00 2.58 C ATOM 907 OD1 ASP A 56 -9.907 -13.777 1.893 1.00 2.90 O ATOM 908 OD2 ASP A 56 -8.910 -14.905 0.303 1.00 2.89 O ATOM 0 H ASP A 56 -11.852 -10.674 -0.659 1.00 1.38 H new ATOM 0 HA ASP A 56 -10.026 -11.782 -0.081 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -11.858 -13.686 0.209 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -10.955 -14.428 -1.096 1.00 2.08 H new ATOM 913 N GLN A 57 -9.391 -11.272 -2.659 1.00 0.83 N ATOM 914 CA GLN A 57 -8.616 -11.183 -3.883 1.00 0.93 C ATOM 915 C GLN A 57 -7.347 -10.381 -3.635 1.00 0.79 C ATOM 916 O GLN A 57 -7.409 -9.185 -3.349 1.00 0.82 O ATOM 917 CB GLN A 57 -9.448 -10.510 -4.976 1.00 1.30 C ATOM 918 CG GLN A 57 -9.420 -11.238 -6.306 1.00 1.81 C ATOM 919 CD GLN A 57 -9.627 -10.302 -7.481 1.00 2.19 C ATOM 920 OE1 GLN A 57 -9.222 -9.138 -7.443 1.00 2.89 O ATOM 921 NE2 GLN A 57 -10.271 -10.793 -8.526 1.00 2.43 N ATOM 0 H GLN A 57 -9.664 -10.368 -2.274 1.00 0.83 H new ATOM 0 HA GLN A 57 -8.345 -12.188 -4.207 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -10.481 -10.433 -4.637 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -9.084 -9.493 -5.122 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -8.464 -11.750 -6.417 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -10.195 -12.004 -6.314 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -10.590 -11.762 -8.519 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -10.448 -10.203 -9.339 1.00 2.43 H new ATOM 930 N TRP A 58 -6.208 -11.048 -3.689 1.00 0.73 N ATOM 931 CA TRP A 58 -4.940 -10.392 -3.465 1.00 0.63 C ATOM 932 C TRP A 58 -4.492 -9.665 -4.719 1.00 0.67 C ATOM 933 O TRP A 58 -4.535 -10.213 -5.821 1.00 0.76 O ATOM 934 CB TRP A 58 -3.885 -11.403 -3.028 1.00 0.71 C ATOM 935 CG TRP A 58 -3.705 -11.457 -1.545 1.00 0.70 C ATOM 936 CD1 TRP A 58 -3.428 -12.556 -0.793 1.00 0.85 C ATOM 937 CD2 TRP A 58 -3.784 -10.358 -0.636 1.00 0.57 C ATOM 938 NE1 TRP A 58 -3.334 -12.208 0.531 1.00 0.84 N ATOM 939 CE2 TRP A 58 -3.541 -10.859 0.652 1.00 0.67 C ATOM 940 CE3 TRP A 58 -4.035 -8.998 -0.793 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -3.540 -10.038 1.778 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -4.032 -8.188 0.318 1.00 0.39 C ATOM 943 CH2 TRP A 58 -3.787 -8.705 1.587 1.00 0.49 C ATOM 0 H TRP A 58 -6.139 -12.046 -3.887 1.00 0.73 H new ATOM 0 HA TRP A 58 -5.066 -9.660 -2.667 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -4.166 -12.392 -3.390 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -2.933 -11.151 -3.495 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -3.301 -13.556 -1.181 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -3.141 -12.849 1.300 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -4.229 -8.585 -1.772 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -3.352 -10.438 2.763 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.223 -7.131 0.204 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -3.792 -8.041 2.439 1.00 0.49 H new ATOM 954 N GLN A 59 -4.137 -8.406 -4.553 1.00 0.70 N ATOM 955 CA GLN A 59 -3.753 -7.572 -5.677 1.00 0.79 C ATOM 956 C GLN A 59 -2.240 -7.415 -5.739 1.00 0.95 C ATOM 957 O GLN A 59 -1.523 -7.937 -4.884 1.00 1.64 O ATOM 958 CB GLN A 59 -4.430 -6.208 -5.562 1.00 1.06 C ATOM 959 CG GLN A 59 -5.482 -5.956 -6.631 1.00 1.36 C ATOM 960 CD GLN A 59 -6.301 -7.189 -6.957 1.00 1.68 C ATOM 961 OE1 GLN A 59 -5.906 -8.015 -7.781 1.00 2.39 O ATOM 962 NE2 GLN A 59 -7.449 -7.317 -6.319 1.00 2.14 N ATOM 0 H GLN A 59 -4.106 -7.936 -3.648 1.00 0.70 H new ATOM 0 HA GLN A 59 -4.079 -8.053 -6.599 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -4.895 -6.125 -4.580 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -3.670 -5.429 -5.622 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -6.149 -5.161 -6.297 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -4.993 -5.601 -7.538 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -7.739 -6.610 -5.644 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -8.046 -8.123 -6.501 1.00 2.14 H new ATOM 971 N HIS A 60 -1.754 -6.719 -6.756 1.00 0.80 N ATOM 972 CA HIS A 60 -0.323 -6.516 -6.916 1.00 1.11 C ATOM 973 C HIS A 60 -0.041 -5.188 -7.610 1.00 0.88 C ATOM 974 O HIS A 60 0.427 -5.153 -8.749 1.00 1.12 O ATOM 975 CB HIS A 60 0.298 -7.676 -7.705 1.00 1.75 C ATOM 976 CG HIS A 60 1.782 -7.822 -7.517 1.00 1.87 C ATOM 977 ND1 HIS A 60 2.398 -9.036 -7.306 1.00 2.49 N ATOM 978 CD2 HIS A 60 2.774 -6.900 -7.525 1.00 2.11 C ATOM 979 CE1 HIS A 60 3.700 -8.854 -7.197 1.00 2.81 C ATOM 980 NE2 HIS A 60 3.959 -7.566 -7.327 1.00 2.58 N ATOM 0 H HIS A 60 -2.328 -6.287 -7.480 1.00 0.80 H new ATOM 0 HA HIS A 60 0.131 -6.488 -5.926 1.00 1.11 H new ATOM 0 HB2 HIS A 60 -0.188 -8.605 -7.407 1.00 1.75 H new ATOM 0 HB3 HIS A 60 0.089 -7.533 -8.765 1.00 1.75 H new ATOM 0 HD2 HIS A 60 2.655 -5.835 -7.662 1.00 2.11 H new ATOM 0 HE1 HIS A 60 4.432 -9.630 -7.029 1.00 2.81 H new ATOM 0 HE2 HIS A 60 4.884 -7.137 -7.287 1.00 2.58 H new ATOM 989 N VAL A 61 -0.262 -4.105 -6.891 1.00 0.60 N ATOM 990 CA VAL A 61 0.044 -2.781 -7.399 1.00 0.59 C ATOM 991 C VAL A 61 1.510 -2.458 -7.152 1.00 0.51 C ATOM 992 O VAL A 61 1.959 -2.429 -6.005 1.00 0.55 O ATOM 993 CB VAL A 61 -0.829 -1.700 -6.731 1.00 0.87 C ATOM 994 CG1 VAL A 61 -0.763 -0.398 -7.511 1.00 1.32 C ATOM 995 CG2 VAL A 61 -2.269 -2.176 -6.596 1.00 1.48 C ATOM 0 H VAL A 61 -0.654 -4.116 -5.949 1.00 0.60 H new ATOM 0 HA VAL A 61 -0.167 -2.782 -8.468 1.00 0.59 H new ATOM 0 HB VAL A 61 -0.437 -1.517 -5.730 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -1.386 0.351 -7.022 1.00 1.32 H new ATOM 0 HG12 VAL A 61 0.268 -0.046 -7.545 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -1.124 -0.563 -8.526 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -2.867 -1.397 -6.122 1.00 1.48 H new ATOM 0 HG22 VAL A 61 -2.674 -2.394 -7.584 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -2.298 -3.078 -5.985 1.00 1.48 H new ATOM 1005 N GLU A 62 2.256 -2.243 -8.224 1.00 0.81 N ATOM 1006 CA GLU A 62 3.667 -1.914 -8.113 1.00 1.05 C ATOM 1007 C GLU A 62 3.860 -0.405 -8.219 1.00 0.71 C ATOM 1008 O GLU A 62 4.052 0.144 -9.303 1.00 0.80 O ATOM 1009 CB GLU A 62 4.489 -2.648 -9.179 1.00 1.61 C ATOM 1010 CG GLU A 62 3.919 -2.552 -10.585 1.00 2.42 C ATOM 1011 CD GLU A 62 4.949 -2.074 -11.587 1.00 3.17 C ATOM 1012 OE1 GLU A 62 6.123 -2.495 -11.497 1.00 3.63 O ATOM 1013 OE2 GLU A 62 4.592 -1.270 -12.471 1.00 3.60 O ATOM 0 H GLU A 62 1.907 -2.291 -9.181 1.00 0.81 H new ATOM 0 HA GLU A 62 4.025 -2.244 -7.138 1.00 1.05 H new ATOM 0 HB2 GLU A 62 5.502 -2.244 -9.182 1.00 1.61 H new ATOM 0 HB3 GLU A 62 4.566 -3.699 -8.902 1.00 1.61 H new ATOM 0 HG2 GLU A 62 3.543 -3.528 -10.890 1.00 2.42 H new ATOM 0 HG3 GLU A 62 3.070 -1.869 -10.585 1.00 2.42 H new ATOM 1020 N LEU A 63 3.751 0.265 -7.086 1.00 0.61 N ATOM 1021 CA LEU A 63 3.861 1.709 -7.035 1.00 0.71 C ATOM 1022 C LEU A 63 5.315 2.143 -7.101 1.00 0.75 C ATOM 1023 O LEU A 63 6.016 2.175 -6.085 1.00 0.94 O ATOM 1024 CB LEU A 63 3.216 2.245 -5.759 1.00 0.97 C ATOM 1025 CG LEU A 63 1.717 1.984 -5.638 1.00 0.92 C ATOM 1026 CD1 LEU A 63 1.420 1.129 -4.417 1.00 1.33 C ATOM 1027 CD2 LEU A 63 0.958 3.297 -5.569 1.00 1.18 C ATOM 0 H LEU A 63 3.585 -0.175 -6.181 1.00 0.61 H new ATOM 0 HA LEU A 63 3.337 2.119 -7.899 1.00 0.71 H new ATOM 0 HB2 LEU A 63 3.718 1.799 -4.900 1.00 0.97 H new ATOM 0 HB3 LEU A 63 3.388 3.320 -5.706 1.00 0.97 H new ATOM 0 HG LEU A 63 1.387 1.440 -6.523 1.00 0.92 H new ATOM 0 HD11 LEU A 63 0.346 0.954 -4.348 1.00 1.33 H new ATOM 0 HD12 LEU A 63 1.938 0.174 -4.506 1.00 1.33 H new ATOM 0 HD13 LEU A 63 1.762 1.645 -3.520 1.00 1.33 H new ATOM 0 HD21 LEU A 63 -0.110 3.096 -5.483 1.00 1.18 H new ATOM 0 HD22 LEU A 63 1.292 3.865 -4.700 1.00 1.18 H new ATOM 0 HD23 LEU A 63 1.147 3.874 -6.474 1.00 1.18 H new ATOM 1039 N SER A 64 5.753 2.504 -8.292 1.00 0.78 N ATOM 1040 CA SER A 64 7.101 3.000 -8.491 1.00 0.89 C ATOM 1041 C SER A 64 7.242 4.386 -7.866 1.00 0.82 C ATOM 1042 O SER A 64 6.682 5.366 -8.371 1.00 1.57 O ATOM 1043 CB SER A 64 7.427 3.039 -9.983 1.00 1.13 C ATOM 1044 OG SER A 64 7.038 1.829 -10.619 1.00 1.36 O ATOM 0 H SER A 64 5.190 2.462 -9.142 1.00 0.78 H new ATOM 0 HA SER A 64 7.809 2.330 -8.003 1.00 0.89 H new ATOM 0 HB2 SER A 64 6.915 3.881 -10.449 1.00 1.13 H new ATOM 0 HB3 SER A 64 8.496 3.200 -10.122 1.00 1.13 H new ATOM 0 HG SER A 64 7.255 1.877 -11.574 1.00 1.36 H new ATOM 1050 N ASN A 65 7.882 4.427 -6.697 1.00 1.03 N ATOM 1051 CA ASN A 65 8.030 5.656 -5.913 1.00 0.94 C ATOM 1052 C ASN A 65 6.664 6.243 -5.556 1.00 0.82 C ATOM 1053 O ASN A 65 6.498 7.460 -5.487 1.00 1.16 O ATOM 1054 CB ASN A 65 8.865 6.707 -6.663 1.00 1.03 C ATOM 1055 CG ASN A 65 10.104 6.138 -7.331 1.00 1.41 C ATOM 1056 OD1 ASN A 65 10.754 5.227 -6.815 1.00 2.04 O ATOM 1057 ND2 ASN A 65 10.438 6.674 -8.495 1.00 1.97 N ATOM 0 H ASN A 65 8.313 3.609 -6.266 1.00 1.03 H new ATOM 0 HA ASN A 65 8.555 5.390 -4.995 1.00 0.94 H new ATOM 0 HB2 ASN A 65 8.241 7.182 -7.420 1.00 1.03 H new ATOM 0 HB3 ASN A 65 9.166 7.486 -5.963 1.00 1.03 H new ATOM 0 HD21 ASN A 65 11.259 6.334 -8.996 1.00 1.97 H new ATOM 0 HD22 ASN A 65 9.875 7.427 -8.890 1.00 1.97 H new ATOM 1064 N GLY A 66 5.687 5.371 -5.326 1.00 0.69 N ATOM 1065 CA GLY A 66 4.357 5.821 -4.972 1.00 0.66 C ATOM 1066 C GLY A 66 4.251 6.143 -3.500 1.00 0.61 C ATOM 1067 O GLY A 66 4.971 5.565 -2.686 1.00 0.87 O ATOM 0 H GLY A 66 5.795 4.358 -5.379 1.00 0.69 H new ATOM 0 HA2 GLY A 66 4.104 6.705 -5.557 1.00 0.66 H new ATOM 0 HA3 GLY A 66 3.631 5.050 -5.229 1.00 0.66 H new ATOM 1071 N THR A 67 3.418 7.113 -3.166 1.00 0.40 N ATOM 1072 CA THR A 67 3.278 7.556 -1.788 1.00 0.41 C ATOM 1073 C THR A 67 1.809 7.742 -1.413 1.00 0.36 C ATOM 1074 O THR A 67 1.451 7.725 -0.234 1.00 0.39 O ATOM 1075 CB THR A 67 4.039 8.874 -1.564 1.00 0.57 C ATOM 1076 OG1 THR A 67 4.527 9.373 -2.820 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.206 8.667 -0.609 1.00 0.70 C ATOM 0 H THR A 67 2.826 7.611 -3.831 1.00 0.40 H new ATOM 0 HA THR A 67 3.704 6.782 -1.149 1.00 0.41 H new ATOM 0 HB THR A 67 3.353 9.598 -1.124 1.00 0.57 H new ATOM 0 HG1 THR A 67 5.009 10.213 -2.673 1.00 0.63 H new ATOM 0 HG21 THR A 67 5.730 9.612 -0.465 1.00 0.70 H new ATOM 0 HG22 THR A 67 4.832 8.309 0.350 1.00 0.70 H new ATOM 0 HG23 THR A 67 5.893 7.931 -1.028 1.00 0.70 H new ATOM 1085 N ALA A 68 0.959 7.914 -2.417 1.00 0.44 N ATOM 1086 CA ALA A 68 -0.464 8.123 -2.183 1.00 0.47 C ATOM 1087 C ALA A 68 -1.298 7.412 -3.238 1.00 0.47 C ATOM 1088 O ALA A 68 -1.511 7.935 -4.329 1.00 0.55 O ATOM 1089 CB ALA A 68 -0.785 9.610 -2.170 1.00 0.59 C ATOM 0 H ALA A 68 1.230 7.913 -3.400 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.714 7.701 -1.210 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -1.852 9.750 -1.994 1.00 0.59 H new ATOM 0 HB2 ALA A 68 -0.219 10.097 -1.376 1.00 0.59 H new ATOM 0 HB3 ALA A 68 -0.515 10.049 -3.130 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.769 6.220 -2.910 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.599 5.453 -3.830 1.00 0.45 C ATOM 1097 C HIS A 69 -4.079 5.726 -3.597 1.00 0.40 C ATOM 1098 O HIS A 69 -4.689 5.156 -2.694 1.00 0.80 O ATOM 1099 CB HIS A 69 -2.314 3.956 -3.706 1.00 0.52 C ATOM 1100 CG HIS A 69 -2.707 3.174 -4.923 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -2.511 3.632 -6.209 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -3.297 1.962 -5.046 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -2.970 2.738 -7.066 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -3.449 1.717 -6.385 1.00 0.75 N ATOM 0 H HIS A 69 -1.592 5.762 -2.016 1.00 0.43 H new ATOM 0 HA HIS A 69 -2.347 5.773 -4.841 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -1.250 3.810 -3.517 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.848 3.562 -2.841 1.00 0.52 H new ATOM 0 HD2 HIS A 69 -3.593 1.309 -4.238 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -2.955 2.829 -8.142 1.00 1.03 H new ATOM 0 HE2 HIS A 69 -3.866 0.879 -6.790 1.00 0.75 H new ATOM 1113 N THR A 70 -4.669 6.511 -4.475 1.00 0.41 N ATOM 1114 CA THR A 70 -6.100 6.770 -4.429 1.00 0.44 C ATOM 1115 C THR A 70 -6.843 5.752 -5.287 1.00 0.47 C ATOM 1116 O THR A 70 -6.854 5.854 -6.513 1.00 0.72 O ATOM 1117 CB THR A 70 -6.435 8.190 -4.920 1.00 0.60 C ATOM 1118 OG1 THR A 70 -5.284 9.038 -4.797 1.00 0.94 O ATOM 1119 CG2 THR A 70 -7.594 8.774 -4.125 1.00 0.84 C ATOM 0 H THR A 70 -4.180 6.985 -5.234 1.00 0.41 H new ATOM 0 HA THR A 70 -6.417 6.683 -3.390 1.00 0.44 H new ATOM 0 HB THR A 70 -6.727 8.131 -5.968 1.00 0.60 H new ATOM 0 HG1 THR A 70 -5.506 9.939 -5.113 1.00 0.94 H new ATOM 0 HG21 THR A 70 -7.815 9.778 -4.488 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.474 8.142 -4.247 1.00 0.84 H new ATOM 0 HG23 THR A 70 -7.325 8.821 -3.070 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.396 4.733 -4.646 1.00 0.36 N ATOM 1128 CA ILE A 71 -8.058 3.656 -5.368 1.00 0.44 C ATOM 1129 C ILE A 71 -9.570 3.731 -5.235 1.00 0.34 C ATOM 1130 O ILE A 71 -10.114 3.445 -4.173 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.606 2.254 -4.893 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -6.556 2.341 -3.780 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -7.069 1.459 -6.069 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -6.415 1.061 -2.985 1.00 0.70 C ATOM 0 H ILE A 71 -7.400 4.629 -3.631 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.768 3.793 -6.410 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.475 1.743 -4.479 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -5.591 2.595 -4.220 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -6.821 3.153 -3.103 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -6.753 0.473 -5.728 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -7.850 1.349 -6.821 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -6.218 1.983 -6.504 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -5.655 1.193 -2.214 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -7.368 0.817 -2.517 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -6.119 0.250 -3.651 1.00 0.70 H new ATOM 1146 N THR A 72 -10.244 3.876 -6.366 1.00 0.37 N ATOM 1147 CA THR A 72 -11.694 3.748 -6.412 1.00 0.33 C ATOM 1148 C THR A 72 -12.051 2.285 -6.685 1.00 0.31 C ATOM 1149 O THR A 72 -13.096 1.958 -7.254 1.00 0.33 O ATOM 1150 CB THR A 72 -12.313 4.675 -7.490 1.00 0.43 C ATOM 1151 OG1 THR A 72 -13.740 4.545 -7.506 1.00 1.33 O ATOM 1152 CG2 THR A 72 -11.759 4.366 -8.875 1.00 1.22 C ATOM 0 H THR A 72 -9.810 4.083 -7.266 1.00 0.37 H new ATOM 0 HA THR A 72 -12.108 4.056 -5.452 1.00 0.33 H new ATOM 0 HB THR A 72 -12.045 5.699 -7.231 1.00 0.43 H new ATOM 0 HG1 THR A 72 -13.982 3.595 -7.505 1.00 1.33 H new ATOM 0 HG21 THR A 72 -12.214 5.034 -9.606 1.00 1.22 H new ATOM 0 HG22 THR A 72 -10.679 4.510 -8.875 1.00 1.22 H new ATOM 0 HG23 THR A 72 -11.987 3.333 -9.136 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.140 1.409 -6.284 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.294 -0.021 -6.488 1.00 0.40 C ATOM 1162 C ASP A 73 -11.886 -0.681 -5.255 1.00 0.39 C ATOM 1163 O ASP A 73 -12.117 -1.887 -5.238 1.00 0.51 O ATOM 1164 CB ASP A 73 -9.937 -0.653 -6.818 1.00 0.52 C ATOM 1165 CG ASP A 73 -10.030 -1.767 -7.845 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -10.780 -1.618 -8.835 1.00 1.21 O ATOM 1167 OD2 ASP A 73 -9.334 -2.791 -7.678 1.00 1.31 O ATOM 0 H ASP A 73 -10.276 1.671 -5.809 1.00 0.34 H new ATOM 0 HA ASP A 73 -11.976 -0.177 -7.324 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -9.264 0.120 -7.190 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -9.495 -1.047 -5.903 1.00 0.52 H new ATOM 1172 N ALA A 74 -11.983 0.081 -4.178 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.361 -0.481 -2.898 1.00 0.33 C ATOM 1174 C ALA A 74 -13.865 -0.436 -2.675 1.00 0.35 C ATOM 1175 O ALA A 74 -14.477 0.628 -2.699 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.626 0.235 -1.777 1.00 0.36 C ATOM 0 H ALA A 74 -11.806 1.085 -4.167 1.00 0.31 H new ATOM 0 HA ALA A 74 -12.072 -1.532 -2.898 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -11.917 -0.195 -0.818 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.551 0.120 -1.915 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -11.882 1.294 -1.792 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.439 -1.595 -2.408 1.00 0.48 N ATOM 1183 CA TYR A 75 -15.851 -1.699 -2.097 1.00 0.52 C ATOM 1184 C TYR A 75 -16.125 -1.181 -0.691 1.00 0.46 C ATOM 1185 O TYR A 75 -15.754 -1.817 0.294 1.00 0.55 O ATOM 1186 CB TYR A 75 -16.306 -3.153 -2.202 1.00 0.71 C ATOM 1187 CG TYR A 75 -16.454 -3.646 -3.621 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -17.042 -2.848 -4.593 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -15.998 -4.905 -3.994 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -17.171 -3.289 -5.895 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -16.122 -5.351 -5.295 1.00 2.26 C ATOM 1192 CZ TYR A 75 -16.742 -4.567 -6.227 1.00 2.21 C ATOM 1193 OH TYR A 75 -16.822 -4.975 -7.540 1.00 2.86 O ATOM 0 H TYR A 75 -13.942 -2.486 -2.401 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.407 -1.094 -2.813 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -15.589 -3.787 -1.680 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -17.261 -3.263 -1.688 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -17.404 -1.866 -4.326 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -15.539 -5.545 -3.254 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -17.602 -2.646 -6.648 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -15.730 -6.317 -5.575 1.00 2.26 H new ATOM 0 HH TYR A 75 -16.484 -5.892 -7.619 1.00 2.86 H new ATOM 1203 N ALA A 76 -16.774 -0.025 -0.606 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.107 0.591 0.679 1.00 0.57 C ATOM 1205 C ALA A 76 -18.080 -0.263 1.489 1.00 0.50 C ATOM 1206 O ALA A 76 -18.372 0.039 2.646 1.00 0.63 O ATOM 1207 CB ALA A 76 -17.702 1.966 0.454 1.00 0.74 C ATOM 0 H ALA A 76 -17.083 0.510 -1.417 1.00 0.49 H new ATOM 0 HA ALA A 76 -16.183 0.675 1.251 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -17.947 2.418 1.415 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -16.980 2.594 -0.069 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -18.607 1.877 -0.147 1.00 0.74 H new ATOM 1213 N GLY A 77 -18.579 -1.322 0.870 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.510 -2.206 1.535 1.00 0.55 C ATOM 1215 C GLY A 77 -18.833 -3.147 2.512 1.00 0.48 C ATOM 1216 O GLY A 77 -19.503 -3.803 3.311 1.00 0.58 O ATOM 0 H GLY A 77 -18.353 -1.586 -0.089 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -20.252 -1.611 2.067 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.046 -2.790 0.787 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.506 -3.211 2.468 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.763 -4.077 3.377 1.00 0.49 C ATOM 1222 C LYS A 78 -15.371 -3.527 3.656 1.00 0.43 C ATOM 1223 O LYS A 78 -14.872 -2.672 2.927 1.00 0.61 O ATOM 1224 CB LYS A 78 -16.646 -5.487 2.797 1.00 0.70 C ATOM 1225 CG LYS A 78 -17.404 -6.551 3.584 1.00 0.98 C ATOM 1226 CD LYS A 78 -17.748 -6.086 4.993 1.00 1.62 C ATOM 1227 CE LYS A 78 -17.775 -7.246 5.977 1.00 1.93 C ATOM 1228 NZ LYS A 78 -19.092 -7.935 5.994 1.00 2.32 N ATOM 0 H LYS A 78 -16.927 -2.679 1.819 1.00 0.44 H new ATOM 0 HA LYS A 78 -17.315 -4.115 4.316 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -17.015 -5.478 1.771 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -15.593 -5.764 2.754 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -18.321 -6.809 3.054 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -16.802 -7.458 3.639 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -17.017 -5.347 5.321 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -18.719 -5.592 4.986 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -16.996 -7.961 5.715 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -17.546 -6.878 6.977 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -19.065 -8.718 6.678 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -19.833 -7.260 6.270 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -19.300 -8.310 5.046 1.00 2.32 H new ATOM 1242 N GLU A 79 -14.746 -4.050 4.703 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.405 -3.645 5.086 1.00 0.43 C ATOM 1244 C GLU A 79 -12.370 -4.181 4.109 1.00 0.37 C ATOM 1245 O GLU A 79 -12.558 -5.236 3.495 1.00 0.39 O ATOM 1246 CB GLU A 79 -13.084 -4.147 6.492 1.00 0.59 C ATOM 1247 CG GLU A 79 -12.730 -3.040 7.465 1.00 1.13 C ATOM 1248 CD GLU A 79 -13.853 -2.739 8.433 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -14.883 -3.442 8.398 1.00 2.20 O ATOM 1250 OE2 GLU A 79 -13.709 -1.802 9.240 1.00 2.05 O ATOM 0 H GLU A 79 -15.154 -4.764 5.307 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.368 -2.556 5.069 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -13.942 -4.697 6.877 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -12.253 -4.850 6.437 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -11.839 -3.324 8.024 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -12.483 -2.136 6.908 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.269 -3.458 3.993 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.176 -3.857 3.127 1.00 0.38 C ATOM 1259 C TYR A 80 -8.897 -4.001 3.928 1.00 0.41 C ATOM 1260 O TYR A 80 -8.589 -3.156 4.772 1.00 0.55 O ATOM 1261 CB TYR A 80 -9.964 -2.816 2.028 1.00 0.43 C ATOM 1262 CG TYR A 80 -10.732 -3.098 0.761 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -12.118 -3.178 0.771 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -10.072 -3.288 -0.444 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -12.826 -3.441 -0.386 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -10.768 -3.551 -1.603 1.00 0.64 C ATOM 1267 CZ TYR A 80 -12.148 -3.605 -1.574 1.00 0.66 C ATOM 1268 OH TYR A 80 -12.840 -3.896 -2.730 1.00 0.85 O ATOM 0 H TYR A 80 -11.109 -2.584 4.494 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.431 -4.815 2.675 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -10.256 -1.837 2.408 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -8.901 -2.762 1.792 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -12.652 -3.032 1.699 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -8.994 -3.229 -0.474 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -13.903 -3.517 -0.359 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -10.238 -3.714 -2.530 1.00 0.64 H new ATOM 0 HH TYR A 80 -12.210 -3.978 -3.476 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.117 -5.018 3.604 1.00 0.31 N ATOM 1279 CA ILE A 81 -6.808 -5.188 4.207 1.00 0.33 C ATOM 1280 C ILE A 81 -5.730 -4.924 3.159 1.00 0.29 C ATOM 1281 O ILE A 81 -5.575 -5.680 2.195 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.628 -6.591 4.841 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.151 -6.850 5.159 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -7.187 -7.680 3.938 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -4.914 -8.098 5.984 1.00 1.11 C ATOM 0 H ILE A 81 -8.368 -5.738 2.927 1.00 0.31 H new ATOM 0 HA ILE A 81 -6.715 -4.467 5.019 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.191 -6.615 5.774 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -4.597 -6.933 4.224 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -4.748 -5.990 5.694 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -7.046 -8.652 4.410 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.251 -7.507 3.775 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.666 -7.662 2.981 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -3.846 -8.215 6.169 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.439 -8.011 6.935 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -5.286 -8.968 5.443 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.122 -3.757 3.264 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.174 -3.286 2.268 1.00 0.30 C ATOM 1299 C ILE A 82 -2.744 -3.488 2.750 1.00 0.32 C ATOM 1300 O ILE A 82 -2.188 -2.646 3.450 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.402 -1.791 1.955 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -5.881 -1.522 1.677 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -3.553 -1.358 0.774 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -6.315 -0.122 2.045 1.00 0.64 C ATOM 0 H ILE A 82 -5.270 -3.110 4.039 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.332 -3.867 1.360 1.00 0.30 H new ATOM 0 HB ILE A 82 -4.103 -1.208 2.826 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -6.081 -1.690 0.619 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -6.484 -2.240 2.233 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -3.727 -0.302 0.568 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -2.500 -1.513 1.007 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -3.822 -1.947 -0.103 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -7.375 0.001 1.822 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -6.147 0.043 3.109 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -5.737 0.601 1.470 1.00 0.64 H new ATOM 1316 N GLN A 83 -2.162 -4.617 2.391 1.00 0.31 N ATOM 1317 CA GLN A 83 -0.806 -4.933 2.803 1.00 0.34 C ATOM 1318 C GLN A 83 0.213 -4.246 1.903 1.00 0.29 C ATOM 1319 O GLN A 83 0.292 -4.524 0.703 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.578 -6.441 2.798 1.00 0.44 C ATOM 1321 CG GLN A 83 0.674 -6.854 3.549 1.00 0.60 C ATOM 1322 CD GLN A 83 0.373 -7.621 4.822 1.00 0.71 C ATOM 1323 OE1 GLN A 83 -0.187 -8.715 4.786 1.00 1.59 O ATOM 1324 NE2 GLN A 83 0.747 -7.055 5.957 1.00 0.64 N ATOM 0 H GLN A 83 -2.607 -5.331 1.815 1.00 0.31 H new ATOM 0 HA GLN A 83 -0.672 -4.562 3.819 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.442 -6.935 3.243 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.508 -6.789 1.767 1.00 0.44 H new ATOM 0 HG2 GLN A 83 1.295 -7.469 2.898 1.00 0.60 H new ATOM 0 HG3 GLN A 83 1.254 -5.964 3.795 1.00 0.60 H new ATOM 0 HE21 GLN A 83 1.209 -6.146 5.945 1.00 0.64 H new ATOM 0 HE22 GLN A 83 0.573 -7.528 6.844 1.00 0.64 H new ATOM 1333 N VAL A 84 0.946 -3.316 2.486 1.00 0.28 N ATOM 1334 CA VAL A 84 1.955 -2.551 1.769 1.00 0.28 C ATOM 1335 C VAL A 84 3.361 -3.051 2.107 1.00 0.28 C ATOM 1336 O VAL A 84 3.702 -3.234 3.283 1.00 0.32 O ATOM 1337 CB VAL A 84 1.863 -1.049 2.118 1.00 0.35 C ATOM 1338 CG1 VAL A 84 2.721 -0.218 1.175 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.418 -0.575 2.086 1.00 0.51 C ATOM 0 H VAL A 84 0.860 -3.068 3.472 1.00 0.28 H new ATOM 0 HA VAL A 84 1.767 -2.687 0.704 1.00 0.28 H new ATOM 0 HB VAL A 84 2.245 -0.915 3.130 1.00 0.35 H new ATOM 0 HG11 VAL A 84 2.639 0.836 1.442 1.00 0.36 H new ATOM 0 HG12 VAL A 84 3.761 -0.533 1.257 1.00 0.36 H new ATOM 0 HG13 VAL A 84 2.378 -0.361 0.150 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.377 0.485 2.335 1.00 0.51 H new ATOM 0 HG22 VAL A 84 0.006 -0.730 1.089 1.00 0.51 H new ATOM 0 HG23 VAL A 84 -0.167 -1.141 2.812 1.00 0.51 H new ATOM 1349 N ALA A 85 4.182 -3.214 1.076 1.00 0.31 N ATOM 1350 CA ALA A 85 5.578 -3.597 1.239 1.00 0.36 C ATOM 1351 C ALA A 85 6.443 -2.789 0.276 1.00 0.30 C ATOM 1352 O ALA A 85 5.922 -1.988 -0.500 1.00 0.37 O ATOM 1353 CB ALA A 85 5.761 -5.088 1.001 1.00 0.49 C ATOM 0 H ALA A 85 3.898 -3.084 0.105 1.00 0.31 H new ATOM 0 HA ALA A 85 5.886 -3.383 2.262 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.811 -5.351 1.128 1.00 0.49 H new ATOM 0 HB2 ALA A 85 5.158 -5.647 1.716 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.445 -5.336 -0.012 1.00 0.49 H new ATOM 1359 N ALA A 86 7.753 -2.993 0.317 1.00 0.35 N ATOM 1360 CA ALA A 86 8.657 -2.254 -0.553 1.00 0.45 C ATOM 1361 C ALA A 86 9.873 -3.087 -0.945 1.00 0.40 C ATOM 1362 O ALA A 86 10.094 -4.177 -0.412 1.00 0.55 O ATOM 1363 CB ALA A 86 9.102 -0.965 0.123 1.00 0.70 C ATOM 0 H ALA A 86 8.211 -3.659 0.939 1.00 0.35 H new ATOM 0 HA ALA A 86 8.112 -2.013 -1.466 1.00 0.45 H new ATOM 0 HB1 ALA A 86 9.778 -0.422 -0.538 1.00 0.70 H new ATOM 0 HB2 ALA A 86 8.230 -0.347 0.338 1.00 0.70 H new ATOM 0 HB3 ALA A 86 9.618 -1.202 1.054 1.00 0.70 H new ATOM 1369 N LYS A 87 10.638 -2.561 -1.895 1.00 0.46 N ATOM 1370 CA LYS A 87 11.852 -3.200 -2.393 1.00 0.49 C ATOM 1371 C LYS A 87 12.620 -2.179 -3.231 1.00 0.61 C ATOM 1372 O LYS A 87 12.018 -1.232 -3.739 1.00 0.80 O ATOM 1373 CB LYS A 87 11.493 -4.446 -3.218 1.00 0.62 C ATOM 1374 CG LYS A 87 12.549 -4.865 -4.227 1.00 0.69 C ATOM 1375 CD LYS A 87 11.969 -4.953 -5.628 1.00 0.91 C ATOM 1376 CE LYS A 87 12.933 -5.619 -6.586 1.00 1.08 C ATOM 1377 NZ LYS A 87 13.429 -4.679 -7.620 1.00 1.33 N ATOM 0 H LYS A 87 10.431 -1.670 -2.346 1.00 0.46 H new ATOM 0 HA LYS A 87 12.479 -3.529 -1.564 1.00 0.49 H new ATOM 0 HB2 LYS A 87 11.312 -5.277 -2.536 1.00 0.62 H new ATOM 0 HB3 LYS A 87 10.559 -4.258 -3.747 1.00 0.62 H new ATOM 0 HG2 LYS A 87 13.371 -4.149 -4.215 1.00 0.69 H new ATOM 0 HG3 LYS A 87 12.965 -5.831 -3.942 1.00 0.69 H new ATOM 0 HD2 LYS A 87 11.035 -5.514 -5.602 1.00 0.91 H new ATOM 0 HD3 LYS A 87 11.730 -3.952 -5.988 1.00 0.91 H new ATOM 0 HE2 LYS A 87 13.778 -6.022 -6.028 1.00 1.08 H new ATOM 0 HE3 LYS A 87 12.439 -6.462 -7.070 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 14.099 -5.172 -8.244 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 12.628 -4.326 -8.181 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 13.909 -3.879 -7.160 1.00 1.33 H new ATOM 1391 N ASP A 88 13.941 -2.300 -3.298 1.00 0.67 N ATOM 1392 CA ASP A 88 14.751 -1.316 -4.018 1.00 0.81 C ATOM 1393 C ASP A 88 14.613 -1.486 -5.534 1.00 0.90 C ATOM 1394 O ASP A 88 14.263 -2.561 -6.028 1.00 1.00 O ATOM 1395 CB ASP A 88 16.222 -1.414 -3.606 1.00 0.96 C ATOM 1396 CG ASP A 88 17.043 -0.245 -4.120 1.00 1.22 C ATOM 1397 OD1 ASP A 88 17.068 0.809 -3.448 1.00 1.53 O ATOM 1398 OD2 ASP A 88 17.662 -0.372 -5.194 1.00 1.42 O ATOM 0 H ASP A 88 14.472 -3.058 -2.869 1.00 0.67 H new ATOM 0 HA ASP A 88 14.380 -0.326 -3.751 1.00 0.81 H new ATOM 0 HB2 ASP A 88 16.291 -1.453 -2.519 1.00 0.96 H new ATOM 0 HB3 ASP A 88 16.642 -2.345 -3.986 1.00 0.96 H new ATOM 1403 N ASN A 89 14.794 -0.389 -6.254 1.00 1.00 N ATOM 1404 CA ASN A 89 14.599 -0.360 -7.701 1.00 1.17 C ATOM 1405 C ASN A 89 15.841 -0.839 -8.447 1.00 1.27 C ATOM 1406 O ASN A 89 15.778 -1.164 -9.635 1.00 1.46 O ATOM 1407 CB ASN A 89 14.244 1.059 -8.146 1.00 1.30 C ATOM 1408 CG ASN A 89 13.322 1.089 -9.350 1.00 1.53 C ATOM 1409 OD1 ASN A 89 12.977 0.054 -9.918 1.00 1.91 O ATOM 1410 ND2 ASN A 89 12.918 2.284 -9.752 1.00 1.75 N ATOM 0 H ASN A 89 15.079 0.506 -5.856 1.00 1.00 H new ATOM 0 HA ASN A 89 13.781 -1.039 -7.942 1.00 1.17 H new ATOM 0 HB2 ASN A 89 13.769 1.585 -7.318 1.00 1.30 H new ATOM 0 HB3 ASN A 89 15.160 1.599 -8.383 1.00 1.30 H new ATOM 0 HD21 ASN A 89 12.299 2.369 -10.558 1.00 1.75 H new ATOM 0 HD22 ASN A 89 13.225 3.120 -9.255 1.00 1.75 H new ATOM 1417 N GLU A 90 16.970 -0.865 -7.760 1.00 1.29 N ATOM 1418 CA GLU A 90 18.219 -1.299 -8.366 1.00 1.46 C ATOM 1419 C GLU A 90 18.583 -2.692 -7.883 1.00 1.44 C ATOM 1420 O GLU A 90 18.948 -3.563 -8.672 1.00 1.57 O ATOM 1421 CB GLU A 90 19.342 -0.322 -8.031 1.00 1.60 C ATOM 1422 CG GLU A 90 19.509 0.782 -9.060 1.00 1.82 C ATOM 1423 CD GLU A 90 20.927 0.891 -9.576 1.00 1.96 C ATOM 1424 OE1 GLU A 90 21.781 0.083 -9.152 1.00 2.17 O ATOM 1425 OE2 GLU A 90 21.195 1.767 -10.422 1.00 2.26 O ATOM 0 H GLU A 90 17.048 -0.590 -6.781 1.00 1.29 H new ATOM 0 HA GLU A 90 18.086 -1.323 -9.448 1.00 1.46 H new ATOM 0 HB2 GLU A 90 19.145 0.126 -7.057 1.00 1.60 H new ATOM 0 HB3 GLU A 90 20.279 -0.873 -7.945 1.00 1.60 H new ATOM 0 HG2 GLU A 90 18.836 0.598 -9.897 1.00 1.82 H new ATOM 0 HG3 GLU A 90 19.214 1.733 -8.617 1.00 1.82 H new ATOM 1432 N ILE A 91 18.428 -2.912 -6.589 1.00 1.38 N ATOM 1433 CA ILE A 91 18.693 -4.212 -6.001 1.00 1.45 C ATOM 1434 C ILE A 91 17.383 -4.900 -5.641 1.00 1.48 C ATOM 1435 O ILE A 91 16.453 -4.265 -5.147 1.00 1.79 O ATOM 1436 CB ILE A 91 19.589 -4.107 -4.748 1.00 1.63 C ATOM 1437 CG1 ILE A 91 19.564 -2.683 -4.181 1.00 2.02 C ATOM 1438 CG2 ILE A 91 21.013 -4.513 -5.093 1.00 1.69 C ATOM 1439 CD1 ILE A 91 20.004 -2.587 -2.737 1.00 2.51 C ATOM 0 H ILE A 91 18.119 -2.203 -5.924 1.00 1.38 H new ATOM 0 HA ILE A 91 19.228 -4.804 -6.744 1.00 1.45 H new ATOM 0 HB ILE A 91 19.202 -4.784 -3.986 1.00 1.63 H new ATOM 0 HG12 ILE A 91 20.209 -2.049 -4.789 1.00 2.02 H new ATOM 0 HG13 ILE A 91 18.553 -2.286 -4.269 1.00 2.02 H new ATOM 0 HG21 ILE A 91 21.639 -4.436 -4.204 1.00 1.69 H new ATOM 0 HG22 ILE A 91 21.021 -5.541 -5.454 1.00 1.69 H new ATOM 0 HG23 ILE A 91 21.402 -3.853 -5.868 1.00 1.69 H new ATOM 0 HD11 ILE A 91 19.958 -1.548 -2.411 1.00 2.51 H new ATOM 0 HD12 ILE A 91 19.345 -3.192 -2.115 1.00 2.51 H new ATOM 0 HD13 ILE A 91 21.027 -2.952 -2.643 1.00 2.51 H new ATOM 1451 N GLY A 92 17.285 -6.179 -5.960 1.00 1.53 N ATOM 1452 CA GLY A 92 16.054 -6.910 -5.740 1.00 1.75 C ATOM 1453 C GLY A 92 15.898 -7.391 -4.312 1.00 1.30 C ATOM 1454 O GLY A 92 15.470 -8.521 -4.076 1.00 1.27 O ATOM 0 H GLY A 92 18.040 -6.729 -6.370 1.00 1.53 H new ATOM 0 HA2 GLY A 92 15.208 -6.272 -5.997 1.00 1.75 H new ATOM 0 HA3 GLY A 92 16.022 -7.768 -6.412 1.00 1.75 H new ATOM 1458 N THR A 93 16.202 -6.528 -3.360 1.00 1.16 N ATOM 1459 CA THR A 93 16.052 -6.861 -1.958 1.00 0.92 C ATOM 1460 C THR A 93 14.607 -6.674 -1.518 1.00 0.81 C ATOM 1461 O THR A 93 14.142 -5.547 -1.336 1.00 0.82 O ATOM 1462 CB THR A 93 16.971 -5.998 -1.086 1.00 1.19 C ATOM 1463 OG1 THR A 93 17.778 -5.153 -1.918 1.00 1.75 O ATOM 1464 CG2 THR A 93 17.861 -6.871 -0.216 1.00 1.62 C ATOM 0 H THR A 93 16.556 -5.587 -3.535 1.00 1.16 H new ATOM 0 HA THR A 93 16.333 -7.907 -1.833 1.00 0.92 H new ATOM 0 HB THR A 93 16.352 -5.380 -0.436 1.00 1.19 H new ATOM 0 HG1 THR A 93 18.718 -5.232 -1.651 1.00 1.75 H new ATOM 0 HG21 THR A 93 18.505 -6.239 0.395 1.00 1.62 H new ATOM 0 HG22 THR A 93 17.241 -7.491 0.432 1.00 1.62 H new ATOM 0 HG23 THR A 93 18.476 -7.510 -0.850 1.00 1.62 H new ATOM 1472 N TRP A 94 13.878 -7.775 -1.450 1.00 0.78 N ATOM 1473 CA TRP A 94 12.461 -7.735 -1.125 1.00 0.75 C ATOM 1474 C TRP A 94 12.241 -7.698 0.383 1.00 0.74 C ATOM 1475 O TRP A 94 12.759 -8.546 1.115 1.00 0.89 O ATOM 1476 CB TRP A 94 11.754 -8.961 -1.708 1.00 0.82 C ATOM 1477 CG TRP A 94 11.381 -8.816 -3.152 1.00 0.84 C ATOM 1478 CD1 TRP A 94 12.234 -8.729 -4.214 1.00 0.93 C ATOM 1479 CD2 TRP A 94 10.058 -8.752 -3.694 1.00 1.04 C ATOM 1480 NE1 TRP A 94 11.521 -8.611 -5.382 1.00 1.13 N ATOM 1481 CE2 TRP A 94 10.184 -8.622 -5.090 1.00 1.19 C ATOM 1482 CE3 TRP A 94 8.777 -8.789 -3.134 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 9.077 -8.532 -5.933 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 7.680 -8.701 -3.972 1.00 1.55 C ATOM 1485 CH2 TRP A 94 7.836 -8.571 -5.357 1.00 1.63 C ATOM 0 H TRP A 94 14.245 -8.712 -1.616 1.00 0.78 H new ATOM 0 HA TRP A 94 12.045 -6.826 -1.560 1.00 0.75 H new ATOM 0 HB2 TRP A 94 12.402 -9.830 -1.596 1.00 0.82 H new ATOM 0 HB3 TRP A 94 10.853 -9.159 -1.128 1.00 0.82 H new ATOM 0 HD1 TRP A 94 13.312 -8.750 -4.146 1.00 0.93 H new ATOM 0 HE1 TRP A 94 11.923 -8.529 -6.316 1.00 1.13 H new ATOM 0 HE3 TRP A 94 8.647 -8.885 -2.066 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 9.195 -8.435 -7.002 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 6.686 -8.733 -3.551 1.00 1.55 H new ATOM 0 HH2 TRP A 94 6.959 -8.500 -5.984 1.00 1.63 H new ATOM 1496 N SER A 95 11.394 -6.783 0.827 1.00 0.65 N ATOM 1497 CA SER A 95 10.988 -6.729 2.223 1.00 0.65 C ATOM 1498 C SER A 95 9.748 -7.596 2.430 1.00 0.63 C ATOM 1499 O SER A 95 9.166 -8.098 1.463 1.00 0.72 O ATOM 1500 CB SER A 95 10.713 -5.284 2.644 1.00 0.68 C ATOM 1501 OG SER A 95 11.750 -4.425 2.200 1.00 0.94 O ATOM 0 H SER A 95 10.973 -6.065 0.238 1.00 0.65 H new ATOM 0 HA SER A 95 11.796 -7.114 2.845 1.00 0.65 H new ATOM 0 HB2 SER A 95 9.760 -4.955 2.230 1.00 0.68 H new ATOM 0 HB3 SER A 95 10.626 -5.227 3.729 1.00 0.68 H new ATOM 0 HG SER A 95 12.012 -3.825 2.929 1.00 0.94 H new ATOM 1507 N ASP A 96 9.386 -7.831 3.681 1.00 0.69 N ATOM 1508 CA ASP A 96 8.252 -8.696 3.999 1.00 0.74 C ATOM 1509 C ASP A 96 6.936 -7.940 3.859 1.00 0.63 C ATOM 1510 O ASP A 96 6.922 -6.707 3.828 1.00 0.53 O ATOM 1511 CB ASP A 96 8.386 -9.244 5.422 1.00 0.94 C ATOM 1512 CG ASP A 96 7.843 -10.652 5.563 1.00 1.28 C ATOM 1513 OD1 ASP A 96 6.617 -10.837 5.422 1.00 1.57 O ATOM 1514 OD2 ASP A 96 8.640 -11.577 5.830 1.00 1.94 O ATOM 0 H ASP A 96 9.858 -7.437 4.495 1.00 0.69 H new ATOM 0 HA ASP A 96 8.252 -9.527 3.293 1.00 0.74 H new ATOM 0 HB2 ASP A 96 9.436 -9.234 5.713 1.00 0.94 H new ATOM 0 HB3 ASP A 96 7.858 -8.585 6.111 1.00 0.94 H new ATOM 1519 N TRP A 97 5.829 -8.678 3.874 1.00 0.76 N ATOM 1520 CA TRP A 97 4.501 -8.076 3.859 1.00 0.73 C ATOM 1521 C TRP A 97 4.246 -7.402 5.199 1.00 0.60 C ATOM 1522 O TRP A 97 4.086 -8.074 6.216 1.00 0.76 O ATOM 1523 CB TRP A 97 3.435 -9.136 3.571 1.00 0.99 C ATOM 1524 CG TRP A 97 3.435 -9.599 2.144 1.00 1.31 C ATOM 1525 CD1 TRP A 97 3.530 -10.888 1.700 1.00 2.12 C ATOM 1526 CD2 TRP A 97 3.342 -8.777 0.974 1.00 1.05 C ATOM 1527 NE1 TRP A 97 3.502 -10.915 0.327 1.00 2.24 N ATOM 1528 CE2 TRP A 97 3.389 -9.634 -0.142 1.00 1.53 C ATOM 1529 CE3 TRP A 97 3.223 -7.399 0.757 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 3.323 -9.158 -1.449 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 3.158 -6.929 -0.541 1.00 1.38 C ATOM 1532 CH2 TRP A 97 3.208 -7.807 -1.629 1.00 1.26 C ATOM 0 H TRP A 97 5.827 -9.698 3.897 1.00 0.76 H new ATOM 0 HA TRP A 97 4.448 -7.329 3.067 1.00 0.73 H new ATOM 0 HB2 TRP A 97 3.598 -9.993 4.225 1.00 0.99 H new ATOM 0 HB3 TRP A 97 2.453 -8.731 3.815 1.00 0.99 H new ATOM 0 HD1 TRP A 97 3.615 -11.757 2.335 1.00 2.12 H new ATOM 0 HE1 TRP A 97 3.557 -11.754 -0.250 1.00 2.24 H new ATOM 0 HE3 TRP A 97 3.183 -6.714 1.591 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 3.361 -9.832 -2.292 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 3.067 -5.868 -0.718 1.00 1.38 H new ATOM 0 HH2 TRP A 97 3.155 -7.410 -2.632 1.00 1.26 H new ATOM 1543 N SER A 98 4.503 -6.107 5.236 1.00 0.41 N ATOM 1544 CA SER A 98 4.605 -5.397 6.494 1.00 0.42 C ATOM 1545 C SER A 98 3.273 -4.820 6.963 1.00 0.38 C ATOM 1546 O SER A 98 2.656 -5.341 7.894 1.00 0.46 O ATOM 1547 CB SER A 98 5.645 -4.287 6.353 1.00 0.51 C ATOM 1548 OG SER A 98 6.207 -4.289 5.047 1.00 0.50 O ATOM 0 H SER A 98 4.645 -5.527 4.409 1.00 0.41 H new ATOM 0 HA SER A 98 4.911 -6.114 7.256 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.183 -3.321 6.554 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.433 -4.424 7.094 1.00 0.51 H new ATOM 0 HG SER A 98 6.530 -5.189 4.831 1.00 0.50 H new ATOM 1554 N VAL A 99 2.913 -3.665 6.422 1.00 0.33 N ATOM 1555 CA VAL A 99 1.775 -2.915 6.935 1.00 0.34 C ATOM 1556 C VAL A 99 0.475 -3.292 6.241 1.00 0.32 C ATOM 1557 O VAL A 99 0.259 -2.957 5.080 1.00 0.34 O ATOM 1558 CB VAL A 99 2.005 -1.396 6.802 1.00 0.42 C ATOM 1559 CG1 VAL A 99 0.815 -0.621 7.345 1.00 1.21 C ATOM 1560 CG2 VAL A 99 3.282 -0.986 7.519 1.00 1.32 C ATOM 0 H VAL A 99 3.389 -3.229 5.633 1.00 0.33 H new ATOM 0 HA VAL A 99 1.685 -3.177 7.989 1.00 0.34 H new ATOM 0 HB VAL A 99 2.112 -1.158 5.744 1.00 0.42 H new ATOM 0 HG11 VAL A 99 0.999 0.448 7.241 1.00 1.21 H new ATOM 0 HG12 VAL A 99 -0.081 -0.891 6.786 1.00 1.21 H new ATOM 0 HG13 VAL A 99 0.672 -0.864 8.398 1.00 1.21 H new ATOM 0 HG21 VAL A 99 3.429 0.089 7.415 1.00 1.32 H new ATOM 0 HG22 VAL A 99 3.204 -1.241 8.576 1.00 1.32 H new ATOM 0 HG23 VAL A 99 4.130 -1.512 7.081 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.430 -3.883 7.003 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.773 -4.153 6.527 1.00 0.41 C ATOM 1572 C ALA A 100 -2.698 -2.991 6.882 1.00 0.43 C ATOM 1573 O ALA A 100 -3.164 -2.879 8.018 1.00 0.61 O ATOM 1574 CB ALA A 100 -2.294 -5.455 7.114 1.00 0.50 C ATOM 0 H ALA A 100 -0.255 -4.186 7.961 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.747 -4.257 5.442 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -3.303 -5.642 6.746 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.641 -6.275 6.816 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -2.312 -5.382 8.201 1.00 0.50 H new ATOM 1580 N ALA A 101 -2.909 -2.097 5.931 1.00 0.36 N ATOM 1581 CA ALA A 101 -3.748 -0.932 6.150 1.00 0.36 C ATOM 1582 C ALA A 101 -5.222 -1.314 6.077 1.00 0.41 C ATOM 1583 O ALA A 101 -5.706 -1.777 5.046 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.420 0.157 5.140 1.00 0.42 C ATOM 0 H ALA A 101 -2.508 -2.157 4.995 1.00 0.36 H new ATOM 0 HA ALA A 101 -3.547 -0.542 7.148 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -4.058 1.023 5.318 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.375 0.448 5.246 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.592 -0.219 4.131 1.00 0.42 H new ATOM 1590 N HIS A 102 -5.908 -1.182 7.196 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.316 -1.542 7.283 1.00 0.57 C ATOM 1592 C HIS A 102 -8.181 -0.305 7.096 1.00 0.50 C ATOM 1593 O HIS A 102 -8.013 0.685 7.807 1.00 0.76 O ATOM 1594 CB HIS A 102 -7.606 -2.181 8.642 1.00 0.95 C ATOM 1595 CG HIS A 102 -8.277 -3.517 8.557 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -9.285 -3.900 9.410 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -8.074 -4.566 7.722 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -9.674 -5.124 9.110 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -8.957 -5.552 8.088 1.00 2.00 N ATOM 0 H HIS A 102 -5.512 -0.825 8.066 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.549 -2.259 6.496 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -6.669 -2.291 9.188 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -8.235 -1.506 9.222 1.00 0.95 H new ATOM 0 HD2 HIS A 102 -7.353 -4.617 6.920 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -10.448 -5.682 9.615 1.00 2.18 H new ATOM 0 HE2 HIS A 102 -9.044 -6.466 7.643 1.00 2.00 H new ATOM 1608 N ALA A 103 -9.059 -0.329 6.102 1.00 0.38 N ATOM 1609 CA ALA A 103 -9.892 0.830 5.815 1.00 0.54 C ATOM 1610 C ALA A 103 -11.138 0.451 5.031 1.00 0.36 C ATOM 1611 O ALA A 103 -11.328 -0.709 4.661 1.00 0.35 O ATOM 1612 CB ALA A 103 -9.096 1.872 5.051 1.00 0.91 C ATOM 0 H ALA A 103 -9.212 -1.129 5.487 1.00 0.38 H new ATOM 0 HA ALA A 103 -10.214 1.247 6.770 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -9.730 2.734 4.843 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -8.241 2.187 5.649 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -8.744 1.445 4.112 1.00 0.91 H new ATOM 1618 N THR A 104 -11.993 1.441 4.822 1.00 0.41 N ATOM 1619 CA THR A 104 -13.247 1.276 4.099 1.00 0.38 C ATOM 1620 C THR A 104 -13.655 2.612 3.484 1.00 0.41 C ATOM 1621 O THR A 104 -13.704 3.616 4.190 1.00 0.51 O ATOM 1622 CB THR A 104 -14.372 0.800 5.040 1.00 0.50 C ATOM 1623 OG1 THR A 104 -13.861 -0.151 5.983 1.00 0.73 O ATOM 1624 CG2 THR A 104 -15.512 0.175 4.253 1.00 0.70 C ATOM 0 H THR A 104 -11.835 2.393 5.153 1.00 0.41 H new ATOM 0 HA THR A 104 -13.097 0.526 3.323 1.00 0.38 H new ATOM 0 HB THR A 104 -14.754 1.670 5.574 1.00 0.50 H new ATOM 0 HG1 THR A 104 -14.584 -0.445 6.576 1.00 0.73 H new ATOM 0 HG21 THR A 104 -16.292 -0.152 4.940 1.00 0.70 H new ATOM 0 HG22 THR A 104 -15.923 0.911 3.561 1.00 0.70 H new ATOM 0 HG23 THR A 104 -15.140 -0.682 3.692 1.00 0.70 H new ATOM 1632 N PRO A 105 -13.909 2.662 2.161 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.307 3.904 1.486 1.00 0.38 C ATOM 1634 C PRO A 105 -15.623 4.460 2.033 1.00 0.40 C ATOM 1635 O PRO A 105 -16.249 3.851 2.909 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.477 3.508 0.016 1.00 0.44 C ATOM 1637 CG PRO A 105 -13.821 2.177 -0.135 1.00 0.45 C ATOM 1638 CD PRO A 105 -13.803 1.530 1.227 1.00 0.40 C ATOM 0 HA PRO A 105 -13.565 4.689 1.637 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.532 3.455 -0.253 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -14.017 4.246 -0.642 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -14.367 1.558 -0.847 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -12.808 2.289 -0.521 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -14.632 0.833 1.349 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -12.885 0.964 1.388 1.00 0.40 H new ATOM 1646 N TRP A 106 -16.054 5.600 1.503 1.00 0.35 N ATOM 1647 CA TRP A 106 -17.302 6.204 1.935 1.00 0.41 C ATOM 1648 C TRP A 106 -18.466 5.273 1.624 1.00 0.48 C ATOM 1649 O TRP A 106 -18.754 4.982 0.466 1.00 0.65 O ATOM 1650 CB TRP A 106 -17.518 7.567 1.263 1.00 0.51 C ATOM 1651 CG TRP A 106 -18.919 8.089 1.414 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -19.648 8.163 2.569 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -19.763 8.600 0.376 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -20.895 8.671 2.305 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -20.989 8.951 0.969 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -19.604 8.792 -0.999 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -22.046 9.481 0.237 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -20.655 9.322 -1.725 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -21.863 9.660 -1.105 1.00 1.07 C ATOM 0 H TRP A 106 -15.558 6.119 0.778 1.00 0.35 H new ATOM 0 HA TRP A 106 -17.249 6.364 3.012 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -16.821 8.289 1.689 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -17.281 7.483 0.202 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -19.294 7.865 3.545 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -21.633 8.816 2.994 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -18.676 8.531 -1.486 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -22.980 9.742 0.713 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -20.542 9.478 -2.788 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -22.666 10.070 -1.699 1.00 1.07 H new ATOM 1670 N THR A 107 -19.137 4.823 2.665 1.00 0.60 N ATOM 1671 CA THR A 107 -20.290 3.966 2.505 1.00 0.75 C ATOM 1672 C THR A 107 -21.525 4.812 2.237 1.00 0.82 C ATOM 1673 O THR A 107 -22.165 5.309 3.166 1.00 0.89 O ATOM 1674 CB THR A 107 -20.499 3.094 3.749 1.00 0.96 C ATOM 1675 OG1 THR A 107 -19.223 2.794 4.334 1.00 1.19 O ATOM 1676 CG2 THR A 107 -21.220 1.801 3.397 1.00 1.19 C ATOM 0 H THR A 107 -18.901 5.039 3.634 1.00 0.60 H new ATOM 0 HA THR A 107 -20.118 3.305 1.656 1.00 0.75 H new ATOM 0 HB THR A 107 -21.116 3.643 4.460 1.00 0.96 H new ATOM 0 HG1 THR A 107 -18.854 1.986 3.919 1.00 1.19 H new ATOM 0 HG21 THR A 107 -21.355 1.203 4.298 1.00 1.19 H new ATOM 0 HG22 THR A 107 -22.194 2.033 2.967 1.00 1.19 H new ATOM 0 HG23 THR A 107 -20.628 1.240 2.674 1.00 1.19 H new