USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 688 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 78 LYS NZ :NH3+ -169:sc= 0.275 (180deg=-0.0115) USER MOD Set 1.2: A 79 ASN : amide:sc= 0.449 K(o=0.72,f=-3.8) USER MOD Set 2.1: A 70 THR OG1 : rot 80:sc= 0.283 USER MOD Set 2.2: A 73 GLN :FLIP amide:sc= -0.219 F(o=-1.1,f=0.064) USER MOD Set 3.1: A 59 LYS NZ :NH3+ 171:sc= 0.714 (180deg=0) USER MOD Set 3.2: A 62 GLN : amide:sc= 0.651 K(o=1.4,f=-2.9) USER MOD Set 4.1: A 24 THR OG1 : rot -5:sc= 0.54 USER MOD Set 4.2: A 27 SER OG : rot -160:sc= 0.799 USER MOD Single : A 4 THR OG1 : rot 24:sc= 0.0699 USER MOD Single : A 10 THR OG1 : rot 70:sc= 0.743 USER MOD Single : A 15 THR OG1 : rot 76:sc= 0.675 USER MOD Single : A 16 CYS SG : rot 80:sc= -0.43 USER MOD Single : A 22 THR OG1 : rot -65:sc= 1.23 USER MOD Single : A 28 HIS : no HD1:sc= 0.405 K(o=0.41,f=-8.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 0.679 (180deg=0.541) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 78:sc= 0.3 USER MOD Single : A 65 ASN : amide:sc= -0.0825 X(o=-0.083,f=-0.52) USER MOD Single : A 68 LYS NZ :NH3+ -143:sc= 0.72 (180deg=0.0323) USER MOD Single : A 71 THR OG1 : rot 80:sc= 0.428 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -143:sc= 1.25 (180deg=0.248) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -6.304 -2.129 2.830 1.00 0.00 N ATOM 46 CA THR A 4 -4.849 -1.971 2.876 1.00 0.00 C ATOM 47 C THR A 4 -4.433 -0.705 2.105 1.00 0.00 C ATOM 48 O THR A 4 -3.700 0.139 2.632 1.00 0.00 O ATOM 49 CB THR A 4 -4.151 -3.229 2.266 1.00 0.00 C ATOM 50 OG1 THR A 4 -4.555 -4.402 2.995 1.00 0.00 O ATOM 51 CG2 THR A 4 -2.624 -3.110 2.287 1.00 0.00 C ATOM 0 HA THR A 4 -4.537 -1.869 3.915 1.00 0.00 H new ATOM 0 HB THR A 4 -4.459 -3.306 1.223 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.420 -4.238 3.426 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.183 -4.007 1.853 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.319 -2.239 1.707 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.282 -2.999 3.316 1.00 0.00 H new ATOM 59 N PHE A 5 -4.989 -0.572 0.886 1.00 0.00 N ATOM 60 CA PHE A 5 -4.805 0.596 0.008 1.00 0.00 C ATOM 61 C PHE A 5 -5.188 1.903 0.723 1.00 0.00 C ATOM 62 O PHE A 5 -4.463 2.885 0.626 1.00 0.00 O ATOM 63 CB PHE A 5 -5.643 0.420 -1.303 1.00 0.00 C ATOM 64 CG PHE A 5 -5.934 1.730 -2.044 1.00 0.00 C ATOM 65 CD1 PHE A 5 -4.919 2.428 -2.688 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.216 2.293 -2.030 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.171 3.642 -3.288 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.462 3.499 -2.645 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.439 4.173 -3.267 1.00 0.00 C ATOM 0 H PHE A 5 -5.590 -1.288 0.477 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.748 0.661 -0.252 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.109 -0.253 -1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.589 -0.061 -1.054 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.922 2.014 -2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.021 1.775 -1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.371 4.178 -3.776 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.458 3.915 -2.639 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.632 5.124 -3.741 1.00 0.00 H new ATOM 79 N ASP A 6 -6.339 1.888 1.422 1.00 0.00 N ATOM 80 CA ASP A 6 -6.872 3.076 2.130 1.00 0.00 C ATOM 81 C ASP A 6 -5.864 3.584 3.161 1.00 0.00 C ATOM 82 O ASP A 6 -5.578 4.781 3.227 1.00 0.00 O ATOM 83 CB ASP A 6 -8.206 2.726 2.832 1.00 0.00 C ATOM 84 CG ASP A 6 -8.845 3.916 3.565 1.00 0.00 C ATOM 85 OD1 ASP A 6 -9.596 4.675 2.927 1.00 0.00 O ATOM 86 OD2 ASP A 6 -8.593 4.102 4.776 1.00 0.00 O ATOM 0 H ASP A 6 -6.926 1.059 1.514 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.049 3.862 1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.909 2.347 2.090 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.031 1.921 3.546 1.00 0.00 H new ATOM 91 N ARG A 7 -5.328 2.636 3.948 1.00 0.00 N ATOM 92 CA ARG A 7 -4.383 2.938 5.029 1.00 0.00 C ATOM 93 C ARG A 7 -3.051 3.461 4.468 1.00 0.00 C ATOM 94 O ARG A 7 -2.475 4.378 5.035 1.00 0.00 O ATOM 95 CB ARG A 7 -4.134 1.699 5.923 1.00 0.00 C ATOM 96 CG ARG A 7 -5.401 1.062 6.545 1.00 0.00 C ATOM 97 CD ARG A 7 -6.288 2.076 7.298 1.00 0.00 C ATOM 98 NE ARG A 7 -7.359 1.415 8.069 1.00 0.00 N ATOM 99 CZ ARG A 7 -8.680 1.530 7.856 1.00 0.00 C ATOM 100 NH1 ARG A 7 -9.156 2.263 6.850 1.00 0.00 N ATOM 101 NH2 ARG A 7 -9.517 0.902 8.667 1.00 0.00 N ATOM 0 H ARG A 7 -5.539 1.643 3.851 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.832 3.718 5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.621 0.942 5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.458 1.984 6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.988 0.592 5.756 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.101 0.271 7.233 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.669 2.667 7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.732 2.769 6.583 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.067 0.812 8.838 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.513 2.749 6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.163 2.338 6.705 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.155 0.342 9.439 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.523 0.978 8.520 1.00 0.00 H new ATOM 115 N VAL A 8 -2.601 2.893 3.328 1.00 0.00 N ATOM 116 CA VAL A 8 -1.333 3.278 2.674 1.00 0.00 C ATOM 117 C VAL A 8 -1.473 4.651 1.992 1.00 0.00 C ATOM 118 O VAL A 8 -0.531 5.431 1.971 1.00 0.00 O ATOM 119 CB VAL A 8 -0.880 2.195 1.629 1.00 0.00 C ATOM 120 CG1 VAL A 8 0.398 2.626 0.867 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.666 0.832 2.321 1.00 0.00 C ATOM 0 H VAL A 8 -3.106 2.156 2.837 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.566 3.345 3.446 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.679 2.095 0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.676 1.849 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.207 3.556 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.212 2.776 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.353 0.094 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.104 0.929 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.598 0.509 2.784 1.00 0.00 H new ATOM 131 N ALA A 9 -2.667 4.928 1.446 1.00 0.00 N ATOM 132 CA ALA A 9 -3.002 6.228 0.834 1.00 0.00 C ATOM 133 C ALA A 9 -2.975 7.333 1.902 1.00 0.00 C ATOM 134 O ALA A 9 -2.531 8.455 1.635 1.00 0.00 O ATOM 135 CB ALA A 9 -4.378 6.167 0.141 1.00 0.00 C ATOM 0 H ALA A 9 -3.433 4.255 1.415 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.256 6.460 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.605 7.136 -0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.359 5.406 -0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.144 5.916 0.875 1.00 0.00 H new ATOM 141 N THR A 10 -3.469 6.982 3.114 1.00 0.00 N ATOM 142 CA THR A 10 -3.395 7.847 4.308 1.00 0.00 C ATOM 143 C THR A 10 -1.926 8.094 4.704 1.00 0.00 C ATOM 144 O THR A 10 -1.542 9.229 4.946 1.00 0.00 O ATOM 145 CB THR A 10 -4.186 7.232 5.517 1.00 0.00 C ATOM 146 OG1 THR A 10 -5.545 6.977 5.125 1.00 0.00 O ATOM 147 CG2 THR A 10 -4.189 8.153 6.761 1.00 0.00 C ATOM 0 H THR A 10 -3.930 6.089 3.287 1.00 0.00 H new ATOM 0 HA THR A 10 -3.860 8.799 4.054 1.00 0.00 H new ATOM 0 HB THR A 10 -3.679 6.307 5.790 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.567 6.238 4.482 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.750 7.677 7.565 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.164 8.327 7.088 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.655 9.105 6.508 1.00 0.00 H new ATOM 155 N ILE A 11 -1.115 7.015 4.732 1.00 0.00 N ATOM 156 CA ILE A 11 0.333 7.068 5.050 1.00 0.00 C ATOM 157 C ILE A 11 1.083 8.009 4.080 1.00 0.00 C ATOM 158 O ILE A 11 1.870 8.856 4.511 1.00 0.00 O ATOM 159 CB ILE A 11 0.943 5.603 5.025 1.00 0.00 C ATOM 160 CG1 ILE A 11 0.410 4.771 6.244 1.00 0.00 C ATOM 161 CG2 ILE A 11 2.488 5.609 4.982 1.00 0.00 C ATOM 162 CD1 ILE A 11 0.779 3.291 6.248 1.00 0.00 C ATOM 0 H ILE A 11 -1.448 6.072 4.533 1.00 0.00 H new ATOM 0 HA ILE A 11 0.458 7.477 6.053 1.00 0.00 H new ATOM 0 HB ILE A 11 0.611 5.125 4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.787 5.223 7.161 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.676 4.856 6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.856 4.583 4.966 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.825 6.129 4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.875 6.119 5.864 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.360 2.814 7.134 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.377 2.813 5.354 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.864 3.187 6.259 1.00 0.00 H new ATOM 174 N ILE A 12 0.798 7.856 2.777 1.00 0.00 N ATOM 175 CA ILE A 12 1.339 8.714 1.708 1.00 0.00 C ATOM 176 C ILE A 12 0.967 10.188 1.951 1.00 0.00 C ATOM 177 O ILE A 12 1.835 11.057 1.913 1.00 0.00 O ATOM 178 CB ILE A 12 0.818 8.228 0.294 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.485 6.866 -0.092 1.00 0.00 C ATOM 180 CG2 ILE A 12 1.016 9.288 -0.819 1.00 0.00 C ATOM 181 CD1 ILE A 12 1.062 6.285 -1.428 1.00 0.00 C ATOM 0 H ILE A 12 0.178 7.124 2.431 1.00 0.00 H new ATOM 0 HA ILE A 12 2.426 8.635 1.719 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.258 8.081 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.567 7.001 -0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.261 6.138 0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.640 8.897 -1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.471 10.195 -0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.077 9.518 -0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.583 5.343 -1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.014 6.109 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.312 6.985 -2.225 1.00 0.00 H new ATOM 193 N ALA A 13 -0.324 10.428 2.208 1.00 0.00 N ATOM 194 CA ALA A 13 -0.866 11.759 2.527 1.00 0.00 C ATOM 195 C ALA A 13 -0.137 12.440 3.706 1.00 0.00 C ATOM 196 O ALA A 13 0.207 13.628 3.630 1.00 0.00 O ATOM 197 CB ALA A 13 -2.367 11.641 2.811 1.00 0.00 C ATOM 0 H ALA A 13 -1.033 9.695 2.201 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.701 12.399 1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.771 12.625 3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.873 11.243 1.932 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.526 10.971 3.656 1.00 0.00 H new ATOM 203 N GLU A 14 0.114 11.663 4.774 1.00 0.00 N ATOM 204 CA GLU A 14 0.850 12.121 5.974 1.00 0.00 C ATOM 205 C GLU A 14 2.311 12.492 5.642 1.00 0.00 C ATOM 206 O GLU A 14 2.889 13.373 6.278 1.00 0.00 O ATOM 207 CB GLU A 14 0.835 11.014 7.065 1.00 0.00 C ATOM 208 CG GLU A 14 -0.568 10.624 7.579 1.00 0.00 C ATOM 209 CD GLU A 14 -1.298 11.760 8.317 1.00 0.00 C ATOM 210 OE1 GLU A 14 -1.069 11.928 9.533 1.00 0.00 O ATOM 211 OE2 GLU A 14 -2.098 12.485 7.693 1.00 0.00 O ATOM 0 H GLU A 14 -0.189 10.691 4.833 1.00 0.00 H new ATOM 0 HA GLU A 14 0.347 13.014 6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.319 10.123 6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.435 11.350 7.911 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.177 10.302 6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.474 9.769 8.249 1.00 0.00 H new ATOM 218 N THR A 15 2.898 11.792 4.656 1.00 0.00 N ATOM 219 CA THR A 15 4.301 11.985 4.248 1.00 0.00 C ATOM 220 C THR A 15 4.452 13.111 3.197 1.00 0.00 C ATOM 221 O THR A 15 5.434 13.853 3.217 1.00 0.00 O ATOM 222 CB THR A 15 4.884 10.645 3.678 1.00 0.00 C ATOM 223 OG1 THR A 15 4.701 9.595 4.643 1.00 0.00 O ATOM 224 CG2 THR A 15 6.385 10.751 3.325 1.00 0.00 C ATOM 0 H THR A 15 2.412 11.075 4.118 1.00 0.00 H new ATOM 0 HA THR A 15 4.860 12.283 5.135 1.00 0.00 H new ATOM 0 HB THR A 15 4.344 10.425 2.757 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.764 9.309 4.642 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.735 9.795 2.935 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.528 11.525 2.571 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.952 11.008 4.220 1.00 0.00 H new ATOM 232 N CYS A 16 3.455 13.264 2.304 1.00 0.00 N ATOM 233 CA CYS A 16 3.607 14.052 1.054 1.00 0.00 C ATOM 234 C CYS A 16 2.732 15.327 1.058 1.00 0.00 C ATOM 235 O CYS A 16 2.751 16.080 0.078 1.00 0.00 O ATOM 236 CB CYS A 16 3.266 13.154 -0.154 1.00 0.00 C ATOM 237 SG CYS A 16 4.268 11.651 -0.232 1.00 0.00 S ATOM 0 H CYS A 16 2.529 12.852 2.422 1.00 0.00 H new ATOM 0 HA CYS A 16 4.642 14.387 0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.213 12.878 -0.107 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.406 13.724 -1.073 1.00 0.00 H new ATOM 0 HG CYS A 16 3.794 10.770 0.599 1.00 0.00 H new ATOM 243 N ASP A 17 1.998 15.555 2.175 1.00 0.00 N ATOM 244 CA ASP A 17 1.050 16.684 2.363 1.00 0.00 C ATOM 245 C ASP A 17 0.052 16.816 1.182 1.00 0.00 C ATOM 246 O ASP A 17 0.125 17.749 0.376 1.00 0.00 O ATOM 247 CB ASP A 17 1.824 18.004 2.648 1.00 0.00 C ATOM 248 CG ASP A 17 0.922 19.149 3.126 1.00 0.00 C ATOM 249 OD1 ASP A 17 0.436 19.085 4.274 1.00 0.00 O ATOM 250 OD2 ASP A 17 0.708 20.129 2.376 1.00 0.00 O ATOM 0 H ASP A 17 2.049 14.945 2.991 1.00 0.00 H new ATOM 0 HA ASP A 17 0.438 16.468 3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.587 17.813 3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.343 18.315 1.741 1.00 0.00 H new ATOM 255 N ILE A 18 -0.846 15.820 1.070 1.00 0.00 N ATOM 256 CA ILE A 18 -1.864 15.718 -0.013 1.00 0.00 C ATOM 257 C ILE A 18 -3.157 15.075 0.558 1.00 0.00 C ATOM 258 O ILE A 18 -3.097 14.434 1.609 1.00 0.00 O ATOM 259 CB ILE A 18 -1.328 14.868 -1.249 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.709 13.516 -0.768 1.00 0.00 C ATOM 261 CG2 ILE A 18 -0.324 15.676 -2.113 1.00 0.00 C ATOM 262 CD1 ILE A 18 -0.145 12.638 -1.869 1.00 0.00 C ATOM 0 H ILE A 18 -0.892 15.048 1.735 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.078 16.723 -0.377 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.182 14.639 -1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.086 13.732 -0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.474 12.954 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.018 15.060 -2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.814 16.570 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.531 15.966 -1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.261 11.725 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.937 12.384 -2.573 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.647 13.174 -2.392 1.00 0.00 H new ATOM 274 N PRO A 19 -4.366 15.280 -0.078 1.00 0.00 N ATOM 275 CA PRO A 19 -5.621 14.594 0.336 1.00 0.00 C ATOM 276 C PRO A 19 -5.596 13.101 -0.084 1.00 0.00 C ATOM 277 O PRO A 19 -5.513 12.805 -1.269 1.00 0.00 O ATOM 278 CB PRO A 19 -6.746 15.385 -0.407 1.00 0.00 C ATOM 279 CG PRO A 19 -6.065 16.600 -0.984 1.00 0.00 C ATOM 280 CD PRO A 19 -4.626 16.201 -1.213 1.00 0.00 C ATOM 0 HA PRO A 19 -5.768 14.590 1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.200 14.779 -1.191 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.544 15.670 0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.538 16.906 -1.917 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.131 17.446 -0.300 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.489 15.708 -2.176 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.958 17.062 -1.198 1.00 0.00 H new ATOM 288 N ARG A 20 -5.709 12.175 0.893 1.00 0.00 N ATOM 289 CA ARG A 20 -5.503 10.721 0.675 1.00 0.00 C ATOM 290 C ARG A 20 -6.550 10.097 -0.275 1.00 0.00 C ATOM 291 O ARG A 20 -6.277 9.097 -0.951 1.00 0.00 O ATOM 292 CB ARG A 20 -5.480 9.983 2.053 1.00 0.00 C ATOM 293 CG ARG A 20 -6.847 9.755 2.773 1.00 0.00 C ATOM 294 CD ARG A 20 -7.438 8.350 2.537 1.00 0.00 C ATOM 295 NE ARG A 20 -8.724 8.159 3.239 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.873 7.787 2.658 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.953 7.624 1.340 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.941 7.568 3.402 1.00 0.00 N ATOM 0 H ARG A 20 -5.946 12.412 1.857 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.541 10.597 0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.011 9.010 1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.836 10.548 2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.715 9.910 3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.560 10.504 2.428 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.583 8.194 1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.726 7.597 2.875 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.738 8.323 4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.132 7.783 0.756 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.835 7.340 0.914 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.889 7.682 4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.818 7.285 2.965 1.00 0.00 H new ATOM 312 N GLU A 21 -7.726 10.734 -0.342 1.00 0.00 N ATOM 313 CA GLU A 21 -8.896 10.217 -1.085 1.00 0.00 C ATOM 314 C GLU A 21 -8.809 10.567 -2.586 1.00 0.00 C ATOM 315 O GLU A 21 -9.578 10.029 -3.388 1.00 0.00 O ATOM 316 CB GLU A 21 -10.243 10.731 -0.465 1.00 0.00 C ATOM 317 CG GLU A 21 -10.305 12.251 -0.131 1.00 0.00 C ATOM 318 CD GLU A 21 -9.795 12.586 1.287 1.00 0.00 C ATOM 319 OE1 GLU A 21 -10.576 12.454 2.254 1.00 0.00 O ATOM 320 OE2 GLU A 21 -8.612 12.965 1.445 1.00 0.00 O ATOM 0 H GLU A 21 -7.900 11.628 0.118 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.883 9.131 -0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.051 10.498 -1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.436 10.170 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.712 12.801 -0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.334 12.596 -0.230 1.00 0.00 H new ATOM 327 N THR A 22 -7.871 11.467 -2.961 1.00 0.00 N ATOM 328 CA THR A 22 -7.587 11.774 -4.382 1.00 0.00 C ATOM 329 C THR A 22 -6.617 10.726 -4.976 1.00 0.00 C ATOM 330 O THR A 22 -6.510 10.599 -6.206 1.00 0.00 O ATOM 331 CB THR A 22 -6.986 13.209 -4.568 1.00 0.00 C ATOM 332 OG1 THR A 22 -5.707 13.299 -3.928 1.00 0.00 O ATOM 333 CG2 THR A 22 -7.910 14.303 -4.002 1.00 0.00 C ATOM 0 H THR A 22 -7.299 11.993 -2.300 1.00 0.00 H new ATOM 0 HA THR A 22 -8.539 11.738 -4.912 1.00 0.00 H new ATOM 0 HB THR A 22 -6.881 13.373 -5.641 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.817 13.190 -2.960 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.452 15.280 -4.154 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.871 14.269 -4.515 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.062 14.135 -2.936 1.00 0.00 H new ATOM 341 N ILE A 23 -5.904 9.984 -4.088 1.00 0.00 N ATOM 342 CA ILE A 23 -4.988 8.909 -4.495 1.00 0.00 C ATOM 343 C ILE A 23 -5.856 7.710 -4.918 1.00 0.00 C ATOM 344 O ILE A 23 -6.632 7.200 -4.113 1.00 0.00 O ATOM 345 CB ILE A 23 -3.965 8.496 -3.339 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.856 9.586 -3.101 1.00 0.00 C ATOM 347 CG2 ILE A 23 -3.302 7.123 -3.631 1.00 0.00 C ATOM 348 CD1 ILE A 23 -3.337 10.903 -2.532 1.00 0.00 C ATOM 0 H ILE A 23 -5.954 10.120 -3.078 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.366 9.257 -5.320 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.555 8.416 -2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.106 9.173 -2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.357 9.783 -4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.612 6.873 -2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.072 6.355 -3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.755 7.176 -4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.490 11.578 -2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.062 11.350 -3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.807 10.731 -1.564 1.00 0.00 H new ATOM 360 N THR A 24 -5.759 7.324 -6.196 1.00 0.00 N ATOM 361 CA THR A 24 -6.510 6.198 -6.779 1.00 0.00 C ATOM 362 C THR A 24 -5.675 4.897 -6.664 1.00 0.00 C ATOM 363 O THR A 24 -4.451 4.978 -6.479 1.00 0.00 O ATOM 364 CB THR A 24 -6.851 6.516 -8.279 1.00 0.00 C ATOM 365 OG1 THR A 24 -5.638 6.800 -9.007 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.814 7.718 -8.400 1.00 0.00 C ATOM 0 H THR A 24 -5.148 7.790 -6.867 1.00 0.00 H new ATOM 0 HA THR A 24 -7.443 6.055 -6.234 1.00 0.00 H new ATOM 0 HB THR A 24 -7.344 5.640 -8.701 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.878 6.805 -8.388 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.027 7.909 -9.452 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.743 7.494 -7.876 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.352 8.601 -7.958 1.00 0.00 H new ATOM 374 N PRO A 25 -6.307 3.669 -6.727 1.00 0.00 N ATOM 375 CA PRO A 25 -5.554 2.379 -6.708 1.00 0.00 C ATOM 376 C PRO A 25 -4.537 2.248 -7.867 1.00 0.00 C ATOM 377 O PRO A 25 -3.558 1.511 -7.767 1.00 0.00 O ATOM 378 CB PRO A 25 -6.666 1.298 -6.800 1.00 0.00 C ATOM 379 CG PRO A 25 -7.900 1.985 -6.290 1.00 0.00 C ATOM 380 CD PRO A 25 -7.784 3.426 -6.754 1.00 0.00 C ATOM 0 HA PRO A 25 -4.940 2.288 -5.812 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.799 0.952 -7.825 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.421 0.424 -6.197 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.801 1.517 -6.685 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.961 1.926 -5.203 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.198 3.563 -7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.318 4.108 -6.092 1.00 0.00 H new ATOM 388 N GLU A 26 -4.751 3.023 -8.947 1.00 0.00 N ATOM 389 CA GLU A 26 -3.909 2.975 -10.158 1.00 0.00 C ATOM 390 C GLU A 26 -2.763 4.012 -10.083 1.00 0.00 C ATOM 391 O GLU A 26 -1.982 4.142 -11.028 1.00 0.00 O ATOM 392 CB GLU A 26 -4.789 3.209 -11.418 1.00 0.00 C ATOM 393 CG GLU A 26 -5.539 4.551 -11.426 1.00 0.00 C ATOM 394 CD GLU A 26 -6.450 4.728 -12.648 1.00 0.00 C ATOM 395 OE1 GLU A 26 -7.624 4.313 -12.593 1.00 0.00 O ATOM 396 OE2 GLU A 26 -6.000 5.282 -13.669 1.00 0.00 O ATOM 0 H GLU A 26 -5.512 3.700 -9.005 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.451 1.988 -10.226 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.156 3.155 -12.304 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.515 2.400 -11.495 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.139 4.630 -10.519 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.814 5.365 -11.400 1.00 0.00 H new ATOM 403 N SER A 27 -2.650 4.724 -8.942 1.00 0.00 N ATOM 404 CA SER A 27 -1.606 5.742 -8.744 1.00 0.00 C ATOM 405 C SER A 27 -0.247 5.056 -8.569 1.00 0.00 C ATOM 406 O SER A 27 -0.098 4.190 -7.708 1.00 0.00 O ATOM 407 CB SER A 27 -1.912 6.624 -7.507 1.00 0.00 C ATOM 408 OG SER A 27 -3.166 7.265 -7.640 1.00 0.00 O ATOM 0 H SER A 27 -3.274 4.609 -8.143 1.00 0.00 H new ATOM 0 HA SER A 27 -1.583 6.386 -9.623 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.907 6.009 -6.607 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.128 7.372 -7.386 1.00 0.00 H new ATOM 0 HG SER A 27 -3.205 8.036 -7.037 1.00 0.00 H new ATOM 414 N HIS A 28 0.719 5.408 -9.418 1.00 0.00 N ATOM 415 CA HIS A 28 2.107 5.001 -9.231 1.00 0.00 C ATOM 416 C HIS A 28 2.744 6.004 -8.265 1.00 0.00 C ATOM 417 O HIS A 28 2.755 7.196 -8.553 1.00 0.00 O ATOM 418 CB HIS A 28 2.874 4.977 -10.573 1.00 0.00 C ATOM 419 CG HIS A 28 4.220 4.298 -10.474 1.00 0.00 C ATOM 420 ND1 HIS A 28 5.313 4.912 -9.921 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.578 3.064 -10.874 1.00 0.00 C ATOM 422 CE1 HIS A 28 6.295 4.033 -10.004 1.00 0.00 C ATOM 423 NE2 HIS A 28 5.898 2.899 -10.582 1.00 0.00 N ATOM 0 H HIS A 28 0.561 5.979 -10.248 1.00 0.00 H new ATOM 0 HA HIS A 28 2.151 3.989 -8.828 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.269 4.464 -11.321 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.014 6.000 -10.923 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.934 2.335 -11.343 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.299 4.211 -9.647 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.468 2.074 -10.768 1.00 0.00 H new ATOM 431 N ALA A 29 3.224 5.523 -7.114 1.00 0.00 N ATOM 432 CA ALA A 29 3.875 6.345 -6.079 1.00 0.00 C ATOM 433 C ALA A 29 4.909 7.332 -6.664 1.00 0.00 C ATOM 434 O ALA A 29 4.870 8.516 -6.360 1.00 0.00 O ATOM 435 CB ALA A 29 4.538 5.428 -5.041 1.00 0.00 C ATOM 0 H ALA A 29 3.172 4.535 -6.867 1.00 0.00 H new ATOM 0 HA ALA A 29 3.102 6.950 -5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.020 6.035 -4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.781 4.794 -4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.284 4.803 -5.532 1.00 0.00 H new ATOM 441 N ILE A 30 5.741 6.860 -7.603 1.00 0.00 N ATOM 442 CA ILE A 30 6.927 7.614 -8.061 1.00 0.00 C ATOM 443 C ILE A 30 6.590 8.423 -9.335 1.00 0.00 C ATOM 444 O ILE A 30 6.882 9.617 -9.417 1.00 0.00 O ATOM 445 CB ILE A 30 8.150 6.650 -8.308 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.481 5.844 -7.002 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.397 7.419 -8.828 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.632 4.852 -7.119 1.00 0.00 C ATOM 0 H ILE A 30 5.618 5.958 -8.064 1.00 0.00 H new ATOM 0 HA ILE A 30 7.213 8.314 -7.276 1.00 0.00 H new ATOM 0 HB ILE A 30 7.867 5.943 -9.088 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.714 6.553 -6.207 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.587 5.302 -6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.217 6.718 -8.985 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.154 7.911 -9.770 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.695 8.168 -8.094 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.778 4.349 -6.163 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.399 4.113 -7.886 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.544 5.383 -7.392 1.00 0.00 H new ATOM 460 N ASP A 31 5.931 7.764 -10.303 1.00 0.00 N ATOM 461 CA ASP A 31 5.674 8.335 -11.650 1.00 0.00 C ATOM 462 C ASP A 31 4.424 9.239 -11.665 1.00 0.00 C ATOM 463 O ASP A 31 4.400 10.251 -12.376 1.00 0.00 O ATOM 464 CB ASP A 31 5.530 7.199 -12.703 1.00 0.00 C ATOM 465 CG ASP A 31 5.463 7.719 -14.155 1.00 0.00 C ATOM 466 OD1 ASP A 31 6.518 8.122 -14.699 1.00 0.00 O ATOM 467 OD2 ASP A 31 4.359 7.749 -14.754 1.00 0.00 O ATOM 0 H ASP A 31 5.559 6.822 -10.181 1.00 0.00 H new ATOM 0 HA ASP A 31 6.532 8.956 -11.909 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.373 6.515 -12.608 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.629 6.625 -12.488 1.00 0.00 H new ATOM 472 N ASP A 32 3.394 8.867 -10.881 1.00 0.00 N ATOM 473 CA ASP A 32 2.100 9.593 -10.836 1.00 0.00 C ATOM 474 C ASP A 32 2.101 10.633 -9.700 1.00 0.00 C ATOM 475 O ASP A 32 1.869 11.827 -9.932 1.00 0.00 O ATOM 476 CB ASP A 32 0.932 8.578 -10.657 1.00 0.00 C ATOM 477 CG ASP A 32 -0.466 9.217 -10.611 1.00 0.00 C ATOM 478 OD1 ASP A 32 -1.072 9.430 -11.682 1.00 0.00 O ATOM 479 OD2 ASP A 32 -0.971 9.499 -9.507 1.00 0.00 O ATOM 0 H ASP A 32 3.430 8.058 -10.261 1.00 0.00 H new ATOM 0 HA ASP A 32 1.960 10.125 -11.777 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.963 7.860 -11.476 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.092 8.018 -9.736 1.00 0.00 H new ATOM 484 N LEU A 33 2.378 10.165 -8.469 1.00 0.00 N ATOM 485 CA LEU A 33 2.340 11.002 -7.249 1.00 0.00 C ATOM 486 C LEU A 33 3.640 11.814 -7.057 1.00 0.00 C ATOM 487 O LEU A 33 3.680 12.730 -6.233 1.00 0.00 O ATOM 488 CB LEU A 33 2.064 10.111 -6.005 1.00 0.00 C ATOM 489 CG LEU A 33 0.726 9.295 -6.016 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.611 8.389 -4.769 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.500 10.231 -6.147 1.00 0.00 C ATOM 0 H LEU A 33 2.635 9.195 -8.289 1.00 0.00 H new ATOM 0 HA LEU A 33 1.530 11.722 -7.366 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.891 9.409 -5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.069 10.748 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 33 0.741 8.647 -6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.328 7.836 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.445 7.687 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.635 9.004 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.413 9.636 -6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.522 10.922 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.430 10.795 -7.077 1.00 0.00 H new ATOM 503 N GLY A 34 4.695 11.475 -7.827 1.00 0.00 N ATOM 504 CA GLY A 34 5.982 12.187 -7.754 1.00 0.00 C ATOM 505 C GLY A 34 6.720 12.000 -6.425 1.00 0.00 C ATOM 506 O GLY A 34 7.399 12.914 -5.952 1.00 0.00 O ATOM 0 H GLY A 34 4.678 10.713 -8.505 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.623 11.843 -8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.807 13.251 -7.915 1.00 0.00 H new ATOM 510 N ILE A 35 6.584 10.806 -5.831 1.00 0.00 N ATOM 511 CA ILE A 35 7.237 10.438 -4.557 1.00 0.00 C ATOM 512 C ILE A 35 8.622 9.865 -4.864 1.00 0.00 C ATOM 513 O ILE A 35 8.734 8.931 -5.661 1.00 0.00 O ATOM 514 CB ILE A 35 6.374 9.370 -3.770 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.976 9.954 -3.402 1.00 0.00 C ATOM 516 CG2 ILE A 35 7.094 8.831 -2.508 1.00 0.00 C ATOM 517 CD1 ILE A 35 4.018 8.957 -2.763 1.00 0.00 C ATOM 0 H ILE A 35 6.012 10.057 -6.222 1.00 0.00 H new ATOM 0 HA ILE A 35 7.328 11.325 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 35 6.237 8.521 -4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.116 10.792 -2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.515 10.353 -4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.456 8.102 -2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.030 8.354 -2.799 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.303 9.657 -1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.072 9.452 -2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.842 8.129 -3.450 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.453 8.575 -1.839 1.00 0.00 H new ATOM 529 N ASP A 36 9.676 10.436 -4.256 1.00 0.00 N ATOM 530 CA ASP A 36 11.043 9.904 -4.381 1.00 0.00 C ATOM 531 C ASP A 36 11.156 8.603 -3.573 1.00 0.00 C ATOM 532 O ASP A 36 10.364 8.369 -2.657 1.00 0.00 O ATOM 533 CB ASP A 36 12.081 10.954 -3.886 1.00 0.00 C ATOM 534 CG ASP A 36 13.518 10.687 -4.379 1.00 0.00 C ATOM 535 OD1 ASP A 36 14.191 9.767 -3.858 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.979 11.375 -5.310 1.00 0.00 O ATOM 0 H ASP A 36 9.606 11.269 -3.671 1.00 0.00 H new ATOM 0 HA ASP A 36 11.255 9.691 -5.429 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.770 11.944 -4.220 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.077 10.969 -2.796 1.00 0.00 H new ATOM 541 N SER A 37 12.151 7.778 -3.912 1.00 0.00 N ATOM 542 CA SER A 37 12.411 6.510 -3.220 1.00 0.00 C ATOM 543 C SER A 37 12.768 6.735 -1.733 1.00 0.00 C ATOM 544 O SER A 37 12.491 5.874 -0.901 1.00 0.00 O ATOM 545 CB SER A 37 13.534 5.744 -3.938 1.00 0.00 C ATOM 546 OG SER A 37 13.208 5.527 -5.304 1.00 0.00 O ATOM 0 H SER A 37 12.800 7.970 -4.675 1.00 0.00 H new ATOM 0 HA SER A 37 11.498 5.915 -3.247 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.465 6.306 -3.867 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.701 4.787 -3.443 1.00 0.00 H new ATOM 0 HG SER A 37 13.937 5.040 -5.741 1.00 0.00 H new ATOM 552 N LEU A 38 13.330 7.931 -1.405 1.00 0.00 N ATOM 553 CA LEU A 38 13.711 8.286 -0.024 1.00 0.00 C ATOM 554 C LEU A 38 12.458 8.637 0.806 1.00 0.00 C ATOM 555 O LEU A 38 12.408 8.372 2.009 1.00 0.00 O ATOM 556 CB LEU A 38 14.783 9.433 -0.014 1.00 0.00 C ATOM 557 CG LEU A 38 14.410 10.826 -0.675 1.00 0.00 C ATOM 558 CD1 LEU A 38 13.664 11.780 0.292 1.00 0.00 C ATOM 559 CD2 LEU A 38 15.656 11.524 -1.283 1.00 0.00 C ATOM 0 H LEU A 38 13.527 8.663 -2.087 1.00 0.00 H new ATOM 0 HA LEU A 38 14.178 7.421 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 38 15.056 9.622 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.675 9.057 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 38 13.717 10.593 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.438 12.715 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.736 11.312 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.293 11.985 1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.360 12.475 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.392 11.702 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.092 10.886 -2.051 1.00 0.00 H new ATOM 571 N ASP A 39 11.449 9.247 0.137 1.00 0.00 N ATOM 572 CA ASP A 39 10.120 9.490 0.728 1.00 0.00 C ATOM 573 C ASP A 39 9.380 8.158 0.889 1.00 0.00 C ATOM 574 O ASP A 39 8.731 7.927 1.905 1.00 0.00 O ATOM 575 CB ASP A 39 9.271 10.455 -0.142 1.00 0.00 C ATOM 576 CG ASP A 39 9.838 11.880 -0.224 1.00 0.00 C ATOM 577 OD1 ASP A 39 9.569 12.691 0.690 1.00 0.00 O ATOM 578 OD2 ASP A 39 10.524 12.205 -1.213 1.00 0.00 O ATOM 0 H ASP A 39 11.538 9.581 -0.823 1.00 0.00 H new ATOM 0 HA ASP A 39 10.266 9.959 1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.193 10.047 -1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.260 10.499 0.263 1.00 0.00 H new ATOM 583 N PHE A 40 9.531 7.262 -0.115 1.00 0.00 N ATOM 584 CA PHE A 40 8.852 5.953 -0.147 1.00 0.00 C ATOM 585 C PHE A 40 9.373 5.052 0.997 1.00 0.00 C ATOM 586 O PHE A 40 8.674 4.139 1.431 1.00 0.00 O ATOM 587 CB PHE A 40 9.027 5.266 -1.538 1.00 0.00 C ATOM 588 CG PHE A 40 8.075 4.091 -1.766 1.00 0.00 C ATOM 589 CD1 PHE A 40 6.778 4.311 -2.235 1.00 0.00 C ATOM 590 CD2 PHE A 40 8.459 2.775 -1.495 1.00 0.00 C ATOM 591 CE1 PHE A 40 5.903 3.259 -2.424 1.00 0.00 C ATOM 592 CE2 PHE A 40 7.580 1.725 -1.688 1.00 0.00 C ATOM 593 CZ PHE A 40 6.304 1.967 -2.152 1.00 0.00 C ATOM 0 H PHE A 40 10.128 7.430 -0.924 1.00 0.00 H new ATOM 0 HA PHE A 40 7.784 6.112 0.005 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.870 6.007 -2.322 1.00 0.00 H new ATOM 0 HB3 PHE A 40 10.054 4.914 -1.633 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.455 5.318 -2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 40 9.456 2.575 -1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.903 3.448 -2.785 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.893 0.714 -1.475 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.619 1.146 -2.302 1.00 0.00 H new ATOM 603 N LEU A 41 10.609 5.334 1.485 1.00 0.00 N ATOM 604 CA LEU A 41 11.168 4.685 2.692 1.00 0.00 C ATOM 605 C LEU A 41 10.316 5.019 3.936 1.00 0.00 C ATOM 606 O LEU A 41 10.126 4.164 4.798 1.00 0.00 O ATOM 607 CB LEU A 41 12.640 5.117 2.924 1.00 0.00 C ATOM 608 CG LEU A 41 13.667 4.701 1.823 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.083 5.206 2.160 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.656 3.176 1.585 1.00 0.00 C ATOM 0 H LEU A 41 11.238 6.012 1.055 1.00 0.00 H new ATOM 0 HA LEU A 41 11.146 3.607 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.666 6.202 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.972 4.702 3.876 1.00 0.00 H new ATOM 0 HG LEU A 41 13.359 5.178 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.775 4.900 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.074 6.294 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.404 4.782 3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.383 2.923 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.916 2.661 2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.662 2.865 1.264 1.00 0.00 H new ATOM 622 N ASP A 42 9.801 6.272 4.001 1.00 0.00 N ATOM 623 CA ASP A 42 8.901 6.730 5.094 1.00 0.00 C ATOM 624 C ASP A 42 7.531 6.042 4.977 1.00 0.00 C ATOM 625 O ASP A 42 6.931 5.674 5.993 1.00 0.00 O ATOM 626 CB ASP A 42 8.713 8.269 5.081 1.00 0.00 C ATOM 627 CG ASP A 42 10.032 9.045 5.179 1.00 0.00 C ATOM 628 OD1 ASP A 42 10.719 8.942 6.219 1.00 0.00 O ATOM 629 OD2 ASP A 42 10.386 9.764 4.227 1.00 0.00 O ATOM 0 H ASP A 42 9.995 6.990 3.303 1.00 0.00 H new ATOM 0 HA ASP A 42 9.371 6.456 6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.198 8.557 4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.069 8.556 5.912 1.00 0.00 H new ATOM 634 N ILE A 43 7.046 5.883 3.718 1.00 0.00 N ATOM 635 CA ILE A 43 5.798 5.139 3.433 1.00 0.00 C ATOM 636 C ILE A 43 5.943 3.677 3.913 1.00 0.00 C ATOM 637 O ILE A 43 5.095 3.183 4.659 1.00 0.00 O ATOM 638 CB ILE A 43 5.352 5.195 1.895 1.00 0.00 C ATOM 639 CG1 ILE A 43 4.727 6.588 1.513 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.356 4.061 1.516 1.00 0.00 C ATOM 641 CD1 ILE A 43 5.692 7.734 1.363 1.00 0.00 C ATOM 0 H ILE A 43 7.502 6.261 2.888 1.00 0.00 H new ATOM 0 HA ILE A 43 5.000 5.634 3.987 1.00 0.00 H new ATOM 0 HB ILE A 43 6.268 5.048 1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.184 6.473 0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.995 6.855 2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.089 4.149 0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.823 3.092 1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.457 4.147 2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.144 8.639 1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.220 7.891 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 43 6.411 7.503 0.577 1.00 0.00 H new ATOM 653 N ALA A 44 7.074 3.044 3.562 1.00 0.00 N ATOM 654 CA ALA A 44 7.334 1.620 3.838 1.00 0.00 C ATOM 655 C ALA A 44 7.491 1.366 5.348 1.00 0.00 C ATOM 656 O ALA A 44 7.074 0.321 5.864 1.00 0.00 O ATOM 657 CB ALA A 44 8.599 1.172 3.079 1.00 0.00 C ATOM 0 H ALA A 44 7.840 3.509 3.075 1.00 0.00 H new ATOM 0 HA ALA A 44 6.481 1.036 3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.792 0.119 3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.450 1.313 2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.451 1.767 3.408 1.00 0.00 H new ATOM 663 N PHE A 45 8.138 2.336 6.016 1.00 0.00 N ATOM 664 CA PHE A 45 8.347 2.356 7.474 1.00 0.00 C ATOM 665 C PHE A 45 7.005 2.348 8.225 1.00 0.00 C ATOM 666 O PHE A 45 6.788 1.522 9.110 1.00 0.00 O ATOM 667 CB PHE A 45 9.173 3.619 7.831 1.00 0.00 C ATOM 668 CG PHE A 45 9.677 3.711 9.272 1.00 0.00 C ATOM 669 CD1 PHE A 45 10.816 3.009 9.673 1.00 0.00 C ATOM 670 CD2 PHE A 45 9.036 4.518 10.214 1.00 0.00 C ATOM 671 CE1 PHE A 45 11.292 3.113 10.965 1.00 0.00 C ATOM 672 CE2 PHE A 45 9.512 4.616 11.506 1.00 0.00 C ATOM 673 CZ PHE A 45 10.640 3.916 11.881 1.00 0.00 C ATOM 0 H PHE A 45 8.540 3.147 5.546 1.00 0.00 H new ATOM 0 HA PHE A 45 8.889 1.461 7.779 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.033 3.666 7.163 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.562 4.498 7.625 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.331 2.377 8.964 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.155 5.073 9.928 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.175 2.566 11.260 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.001 5.241 12.224 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.014 3.996 12.891 1.00 0.00 H new ATOM 683 N ALA A 46 6.095 3.256 7.834 1.00 0.00 N ATOM 684 CA ALA A 46 4.779 3.385 8.492 1.00 0.00 C ATOM 685 C ALA A 46 3.889 2.155 8.233 1.00 0.00 C ATOM 686 O ALA A 46 3.064 1.811 9.071 1.00 0.00 O ATOM 687 CB ALA A 46 4.081 4.668 8.050 1.00 0.00 C ATOM 0 H ALA A 46 6.244 3.912 7.067 1.00 0.00 H new ATOM 0 HA ALA A 46 4.951 3.439 9.567 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.113 4.745 8.546 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.695 5.527 8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.935 4.649 6.970 1.00 0.00 H new ATOM 693 N ILE A 47 4.070 1.520 7.059 1.00 0.00 N ATOM 694 CA ILE A 47 3.391 0.253 6.699 1.00 0.00 C ATOM 695 C ILE A 47 3.863 -0.897 7.615 1.00 0.00 C ATOM 696 O ILE A 47 3.051 -1.691 8.105 1.00 0.00 O ATOM 697 CB ILE A 47 3.661 -0.108 5.188 1.00 0.00 C ATOM 698 CG1 ILE A 47 2.966 0.916 4.230 1.00 0.00 C ATOM 699 CG2 ILE A 47 3.222 -1.556 4.856 1.00 0.00 C ATOM 700 CD1 ILE A 47 3.394 0.813 2.769 1.00 0.00 C ATOM 0 H ILE A 47 4.692 1.869 6.330 1.00 0.00 H new ATOM 0 HA ILE A 47 2.319 0.389 6.839 1.00 0.00 H new ATOM 0 HB ILE A 47 4.738 -0.046 5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.887 0.774 4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.175 1.925 4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.425 -1.766 3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.777 -2.257 5.480 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.155 -1.666 5.049 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.862 1.560 2.180 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.467 0.987 2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.159 -0.182 2.390 1.00 0.00 H new ATOM 712 N ASP A 48 5.188 -0.955 7.819 1.00 0.00 N ATOM 713 CA ASP A 48 5.860 -1.962 8.662 1.00 0.00 C ATOM 714 C ASP A 48 5.223 -2.014 10.067 1.00 0.00 C ATOM 715 O ASP A 48 4.862 -3.087 10.564 1.00 0.00 O ATOM 716 CB ASP A 48 7.371 -1.598 8.740 1.00 0.00 C ATOM 717 CG ASP A 48 8.248 -2.564 9.566 1.00 0.00 C ATOM 718 OD1 ASP A 48 8.161 -2.566 10.814 1.00 0.00 O ATOM 719 OD2 ASP A 48 9.076 -3.291 8.971 1.00 0.00 O ATOM 0 H ASP A 48 5.837 -0.292 7.396 1.00 0.00 H new ATOM 0 HA ASP A 48 5.745 -2.954 8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.768 -1.552 7.726 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.464 -0.598 9.164 1.00 0.00 H new ATOM 724 N LYS A 49 5.075 -0.830 10.679 1.00 0.00 N ATOM 725 CA LYS A 49 4.531 -0.703 12.044 1.00 0.00 C ATOM 726 C LYS A 49 2.998 -0.876 12.067 1.00 0.00 C ATOM 727 O LYS A 49 2.483 -1.657 12.871 1.00 0.00 O ATOM 728 CB LYS A 49 4.962 0.640 12.715 1.00 0.00 C ATOM 729 CG LYS A 49 6.448 0.691 13.178 1.00 0.00 C ATOM 730 CD LYS A 49 7.460 0.816 12.012 1.00 0.00 C ATOM 731 CE LYS A 49 8.924 0.661 12.447 1.00 0.00 C ATOM 732 NZ LYS A 49 9.221 -0.720 12.901 1.00 0.00 N ATOM 0 H LYS A 49 5.326 0.060 10.249 1.00 0.00 H new ATOM 0 HA LYS A 49 4.959 -1.514 12.634 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.787 1.454 12.011 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.321 0.821 13.578 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.580 1.536 13.854 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.673 -0.211 13.747 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.231 0.060 11.261 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.333 1.788 11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.580 0.919 11.615 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.140 1.363 13.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.250 -0.842 12.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.770 -0.887 13.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.852 -1.401 12.207 1.00 0.00 H new ATOM 746 N ALA A 50 2.279 -0.169 11.163 1.00 0.00 N ATOM 747 CA ALA A 50 0.790 -0.161 11.136 1.00 0.00 C ATOM 748 C ALA A 50 0.200 -1.563 10.884 1.00 0.00 C ATOM 749 O ALA A 50 -0.683 -2.022 11.616 1.00 0.00 O ATOM 750 CB ALA A 50 0.269 0.842 10.080 1.00 0.00 C ATOM 0 H ALA A 50 2.706 0.407 10.438 1.00 0.00 H new ATOM 0 HA ALA A 50 0.456 0.157 12.124 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.821 0.833 10.076 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.622 1.844 10.324 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.638 0.557 9.095 1.00 0.00 H new ATOM 756 N PHE A 51 0.713 -2.234 9.839 1.00 0.00 N ATOM 757 CA PHE A 51 0.252 -3.582 9.433 1.00 0.00 C ATOM 758 C PHE A 51 0.992 -4.692 10.193 1.00 0.00 C ATOM 759 O PHE A 51 0.683 -5.867 9.991 1.00 0.00 O ATOM 760 CB PHE A 51 0.414 -3.768 7.903 1.00 0.00 C ATOM 761 CG PHE A 51 -0.436 -2.807 7.068 1.00 0.00 C ATOM 762 CD1 PHE A 51 -1.747 -3.134 6.717 1.00 0.00 C ATOM 763 CD2 PHE A 51 0.077 -1.588 6.622 1.00 0.00 C ATOM 764 CE1 PHE A 51 -2.507 -2.276 5.947 1.00 0.00 C ATOM 765 CE2 PHE A 51 -0.684 -0.733 5.855 1.00 0.00 C ATOM 766 CZ PHE A 51 -1.974 -1.078 5.516 1.00 0.00 C ATOM 0 H PHE A 51 1.458 -1.862 9.250 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.804 -3.661 9.690 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.463 -3.632 7.639 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.149 -4.793 7.641 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.172 -4.069 7.052 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.088 -1.310 6.883 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.519 -2.543 5.682 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.270 0.206 5.520 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.569 -0.410 4.912 1.00 0.00 H new ATOM 776 N GLY A 52 1.973 -4.310 11.044 1.00 0.00 N ATOM 777 CA GLY A 52 2.700 -5.258 11.905 1.00 0.00 C ATOM 778 C GLY A 52 3.481 -6.304 11.114 1.00 0.00 C ATOM 779 O GLY A 52 3.579 -7.472 11.511 1.00 0.00 O ATOM 0 H GLY A 52 2.277 -3.342 11.149 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.388 -4.705 12.544 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.990 -5.762 12.561 1.00 0.00 H new ATOM 783 N ILE A 53 4.018 -5.867 9.971 1.00 0.00 N ATOM 784 CA ILE A 53 4.745 -6.713 9.008 1.00 0.00 C ATOM 785 C ILE A 53 6.133 -6.113 8.757 1.00 0.00 C ATOM 786 O ILE A 53 6.516 -5.132 9.395 1.00 0.00 O ATOM 787 CB ILE A 53 3.974 -6.846 7.635 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.746 -5.443 6.976 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.635 -7.598 7.820 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.241 -5.503 5.557 1.00 0.00 C ATOM 0 H ILE A 53 3.960 -4.892 9.679 1.00 0.00 H new ATOM 0 HA ILE A 53 4.831 -7.711 9.437 1.00 0.00 H new ATOM 0 HB ILE A 53 4.596 -7.433 6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.033 -4.881 7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.685 -4.889 6.993 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.125 -7.675 6.860 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.830 -8.597 8.209 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.005 -7.052 8.522 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.110 -4.491 5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.962 -6.035 4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.286 -6.027 5.533 1.00 0.00 H new ATOM 802 N LYS A 54 6.899 -6.739 7.853 1.00 0.00 N ATOM 803 CA LYS A 54 8.137 -6.157 7.314 1.00 0.00 C ATOM 804 C LYS A 54 8.095 -6.248 5.788 1.00 0.00 C ATOM 805 O LYS A 54 7.858 -7.334 5.238 1.00 0.00 O ATOM 806 CB LYS A 54 9.399 -6.875 7.862 1.00 0.00 C ATOM 807 CG LYS A 54 10.730 -6.207 7.425 1.00 0.00 C ATOM 808 CD LYS A 54 11.984 -6.956 7.916 1.00 0.00 C ATOM 809 CE LYS A 54 12.100 -8.371 7.329 1.00 0.00 C ATOM 810 NZ LYS A 54 13.380 -9.021 7.686 1.00 0.00 N ATOM 0 H LYS A 54 6.679 -7.661 7.475 1.00 0.00 H new ATOM 0 HA LYS A 54 8.201 -5.116 7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.352 -6.895 8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.393 -7.911 7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.756 -6.145 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.756 -5.185 7.803 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.872 -6.383 7.649 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.961 -7.020 9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.272 -8.981 7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.010 -8.321 6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.414 -9.973 7.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.171 -8.454 7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.456 -9.094 8.721 1.00 0.00 H new ATOM 824 N LEU A 55 8.286 -5.104 5.112 1.00 0.00 N ATOM 825 CA LEU A 55 8.383 -5.058 3.654 1.00 0.00 C ATOM 826 C LEU A 55 9.811 -5.458 3.231 1.00 0.00 C ATOM 827 O LEU A 55 10.782 -4.913 3.775 1.00 0.00 O ATOM 828 CB LEU A 55 8.046 -3.642 3.105 1.00 0.00 C ATOM 829 CG LEU A 55 6.636 -3.058 3.474 1.00 0.00 C ATOM 830 CD1 LEU A 55 6.345 -1.758 2.696 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.517 -4.092 3.250 1.00 0.00 C ATOM 0 H LEU A 55 8.376 -4.193 5.562 1.00 0.00 H new ATOM 0 HA LEU A 55 7.658 -5.757 3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.806 -2.948 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.129 -3.670 2.018 1.00 0.00 H new ATOM 0 HG LEU A 55 6.657 -2.817 4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.361 -1.380 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.102 -1.012 2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.365 -1.962 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.556 -3.652 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.502 -4.390 2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.700 -4.967 3.873 1.00 0.00 H new ATOM 843 N PRO A 56 9.971 -6.443 2.290 1.00 0.00 N ATOM 844 CA PRO A 56 11.257 -6.686 1.585 1.00 0.00 C ATOM 845 C PRO A 56 11.531 -5.573 0.550 1.00 0.00 C ATOM 846 O PRO A 56 11.700 -5.858 -0.630 1.00 0.00 O ATOM 847 CB PRO A 56 11.046 -8.085 0.907 1.00 0.00 C ATOM 848 CG PRO A 56 9.803 -8.643 1.545 1.00 0.00 C ATOM 849 CD PRO A 56 8.952 -7.444 1.886 1.00 0.00 C ATOM 0 HA PRO A 56 12.123 -6.678 2.247 1.00 0.00 H new ATOM 0 HB2 PRO A 56 10.926 -7.987 -0.172 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.903 -8.738 1.074 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.280 -9.315 0.864 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.045 -9.219 2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.364 -7.106 1.033 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.250 -7.659 2.692 1.00 0.00 H new ATOM 857 N LEU A 57 11.610 -4.314 1.031 1.00 0.00 N ATOM 858 CA LEU A 57 11.748 -3.104 0.188 1.00 0.00 C ATOM 859 C LEU A 57 13.048 -3.186 -0.630 1.00 0.00 C ATOM 860 O LEU A 57 13.072 -2.813 -1.809 1.00 0.00 O ATOM 861 CB LEU A 57 11.703 -1.820 1.097 1.00 0.00 C ATOM 862 CG LEU A 57 11.489 -0.411 0.411 1.00 0.00 C ATOM 863 CD1 LEU A 57 12.745 0.118 -0.317 1.00 0.00 C ATOM 864 CD2 LEU A 57 10.261 -0.439 -0.527 1.00 0.00 C ATOM 0 H LEU A 57 11.579 -4.105 2.029 1.00 0.00 H new ATOM 0 HA LEU A 57 10.919 -3.042 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.903 -1.958 1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.638 -1.777 1.655 1.00 0.00 H new ATOM 0 HG LEU A 57 11.297 0.297 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.525 1.088 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.562 0.224 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.035 -0.584 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.133 0.540 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.413 -1.188 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.369 -0.689 0.048 1.00 0.00 H new ATOM 876 N GLU A 58 14.116 -3.693 0.024 1.00 0.00 N ATOM 877 CA GLU A 58 15.424 -3.919 -0.614 1.00 0.00 C ATOM 878 C GLU A 58 15.273 -4.848 -1.845 1.00 0.00 C ATOM 879 O GLU A 58 15.793 -4.552 -2.918 1.00 0.00 O ATOM 880 CB GLU A 58 16.442 -4.511 0.417 1.00 0.00 C ATOM 881 CG GLU A 58 16.044 -5.887 1.012 1.00 0.00 C ATOM 882 CD GLU A 58 17.110 -6.504 1.928 1.00 0.00 C ATOM 883 OE1 GLU A 58 18.206 -6.835 1.425 1.00 0.00 O ATOM 884 OE2 GLU A 58 16.866 -6.670 3.146 1.00 0.00 O ATOM 0 H GLU A 58 14.092 -3.956 1.009 1.00 0.00 H new ATOM 0 HA GLU A 58 15.813 -2.961 -0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.413 -4.609 -0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.564 -3.800 1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.118 -5.773 1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.838 -6.578 0.195 1.00 0.00 H new ATOM 891 N LYS A 59 14.498 -5.936 -1.672 1.00 0.00 N ATOM 892 CA LYS A 59 14.256 -6.949 -2.707 1.00 0.00 C ATOM 893 C LYS A 59 13.408 -6.384 -3.849 1.00 0.00 C ATOM 894 O LYS A 59 13.732 -6.595 -5.012 1.00 0.00 O ATOM 895 CB LYS A 59 13.548 -8.174 -2.074 1.00 0.00 C ATOM 896 CG LYS A 59 13.253 -9.343 -3.048 1.00 0.00 C ATOM 897 CD LYS A 59 14.533 -9.980 -3.652 1.00 0.00 C ATOM 898 CE LYS A 59 15.485 -10.557 -2.590 1.00 0.00 C ATOM 899 NZ LYS A 59 16.695 -11.154 -3.196 1.00 0.00 N ATOM 0 H LYS A 59 14.017 -6.135 -0.795 1.00 0.00 H new ATOM 0 HA LYS A 59 15.216 -7.254 -3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.166 -8.549 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.607 -7.842 -1.634 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.688 -10.112 -2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.620 -8.981 -3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.245 -10.774 -4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.064 -9.228 -4.236 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.778 -9.767 -1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.961 -11.314 -2.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.377 -11.392 -2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.434 -12.017 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.126 -10.473 -3.853 1.00 0.00 H new ATOM 913 N TRP A 60 12.346 -5.649 -3.487 1.00 0.00 N ATOM 914 CA TRP A 60 11.382 -5.085 -4.445 1.00 0.00 C ATOM 915 C TRP A 60 12.095 -4.182 -5.457 1.00 0.00 C ATOM 916 O TRP A 60 12.002 -4.389 -6.670 1.00 0.00 O ATOM 917 CB TRP A 60 10.302 -4.269 -3.698 1.00 0.00 C ATOM 918 CG TRP A 60 9.389 -5.067 -2.797 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.355 -6.425 -2.603 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.356 -4.525 -1.985 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.378 -6.742 -1.704 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.753 -5.594 -1.308 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.900 -3.226 -1.752 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.697 -5.412 -0.428 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.857 -3.043 -0.878 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.269 -4.131 -0.220 1.00 0.00 C ATOM 0 H TRP A 60 12.130 -5.428 -2.515 1.00 0.00 H new ATOM 0 HA TRP A 60 10.908 -5.910 -4.977 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.798 -3.506 -3.099 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.691 -3.748 -4.435 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.005 -7.137 -3.089 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.152 -7.683 -1.381 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.358 -2.383 -2.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.232 -6.248 0.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.485 -2.046 -0.695 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.457 -3.953 0.469 1.00 0.00 H new ATOM 937 N THR A 61 12.870 -3.235 -4.908 1.00 0.00 N ATOM 938 CA THR A 61 13.597 -2.240 -5.692 1.00 0.00 C ATOM 939 C THR A 61 14.774 -2.901 -6.448 1.00 0.00 C ATOM 940 O THR A 61 15.182 -2.420 -7.502 1.00 0.00 O ATOM 941 CB THR A 61 14.094 -1.069 -4.775 1.00 0.00 C ATOM 942 OG1 THR A 61 13.024 -0.641 -3.913 1.00 0.00 O ATOM 943 CG2 THR A 61 14.583 0.146 -5.585 1.00 0.00 C ATOM 0 H THR A 61 13.007 -3.142 -3.902 1.00 0.00 H new ATOM 0 HA THR A 61 12.918 -1.817 -6.433 1.00 0.00 H new ATOM 0 HB THR A 61 14.934 -1.453 -4.196 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.929 -1.274 -3.171 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.916 0.928 -4.903 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.412 -0.154 -6.226 1.00 0.00 H new ATOM 0 HG23 THR A 61 13.767 0.525 -6.201 1.00 0.00 H new ATOM 951 N GLN A 62 15.272 -4.045 -5.924 1.00 0.00 N ATOM 952 CA GLN A 62 16.367 -4.825 -6.547 1.00 0.00 C ATOM 953 C GLN A 62 15.891 -5.485 -7.851 1.00 0.00 C ATOM 954 O GLN A 62 16.571 -5.397 -8.877 1.00 0.00 O ATOM 955 CB GLN A 62 16.853 -5.900 -5.543 1.00 0.00 C ATOM 956 CG GLN A 62 17.935 -6.870 -6.050 1.00 0.00 C ATOM 957 CD GLN A 62 18.276 -7.944 -5.020 1.00 0.00 C ATOM 958 OE1 GLN A 62 17.673 -9.018 -5.000 1.00 0.00 O ATOM 959 NE2 GLN A 62 19.227 -7.663 -4.148 1.00 0.00 N ATOM 0 H GLN A 62 14.925 -4.454 -5.056 1.00 0.00 H new ATOM 0 HA GLN A 62 17.191 -4.156 -6.794 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.237 -5.392 -4.658 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.990 -6.486 -5.226 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.592 -7.346 -6.969 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.836 -6.309 -6.299 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.708 -6.765 -4.190 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.480 -8.344 -3.432 1.00 0.00 H new ATOM 968 N GLU A 63 14.709 -6.139 -7.789 1.00 0.00 N ATOM 969 CA GLU A 63 14.083 -6.809 -8.953 1.00 0.00 C ATOM 970 C GLU A 63 13.805 -5.804 -10.071 1.00 0.00 C ATOM 971 O GLU A 63 13.992 -6.102 -11.257 1.00 0.00 O ATOM 972 CB GLU A 63 12.751 -7.489 -8.547 1.00 0.00 C ATOM 973 CG GLU A 63 12.847 -8.473 -7.365 1.00 0.00 C ATOM 974 CD GLU A 63 13.881 -9.581 -7.579 1.00 0.00 C ATOM 975 OE1 GLU A 63 13.583 -10.533 -8.332 1.00 0.00 O ATOM 976 OE2 GLU A 63 15.003 -9.504 -7.022 1.00 0.00 O ATOM 0 H GLU A 63 14.162 -6.217 -6.932 1.00 0.00 H new ATOM 0 HA GLU A 63 14.781 -7.566 -9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.028 -6.713 -8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.356 -8.023 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.100 -7.920 -6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.870 -8.926 -7.198 1.00 0.00 H new ATOM 983 N VAL A 64 13.341 -4.622 -9.649 1.00 0.00 N ATOM 984 CA VAL A 64 13.083 -3.491 -10.536 1.00 0.00 C ATOM 985 C VAL A 64 14.374 -3.061 -11.272 1.00 0.00 C ATOM 986 O VAL A 64 14.416 -3.055 -12.505 1.00 0.00 O ATOM 987 CB VAL A 64 12.473 -2.299 -9.722 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.405 -1.020 -10.564 1.00 0.00 C ATOM 989 CG2 VAL A 64 11.071 -2.661 -9.178 1.00 0.00 C ATOM 0 H VAL A 64 13.133 -4.426 -8.670 1.00 0.00 H new ATOM 0 HA VAL A 64 12.361 -3.798 -11.292 1.00 0.00 H new ATOM 0 HB VAL A 64 13.135 -2.110 -8.877 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.977 -0.214 -9.968 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.409 -0.741 -10.884 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.781 -1.194 -11.440 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.669 -1.817 -8.617 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.406 -2.893 -10.010 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.148 -3.529 -8.523 1.00 0.00 H new ATOM 999 N ASN A 65 15.425 -2.744 -10.484 1.00 0.00 N ATOM 1000 CA ASN A 65 16.725 -2.256 -11.005 1.00 0.00 C ATOM 1001 C ASN A 65 17.413 -3.302 -11.907 1.00 0.00 C ATOM 1002 O ASN A 65 18.074 -2.940 -12.886 1.00 0.00 O ATOM 1003 CB ASN A 65 17.675 -1.850 -9.833 1.00 0.00 C ATOM 1004 CG ASN A 65 17.181 -0.646 -9.020 1.00 0.00 C ATOM 1005 OD1 ASN A 65 16.494 0.233 -9.536 1.00 0.00 O ATOM 1006 ND2 ASN A 65 17.545 -0.594 -7.747 1.00 0.00 N ATOM 0 H ASN A 65 15.398 -2.819 -9.467 1.00 0.00 H new ATOM 0 HA ASN A 65 16.516 -1.376 -11.614 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.796 -2.702 -9.164 1.00 0.00 H new ATOM 0 HB3 ASN A 65 18.660 -1.622 -10.240 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.255 0.192 -7.165 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.116 -1.340 -7.349 1.00 0.00 H new ATOM 1013 N ASP A 66 17.224 -4.602 -11.588 1.00 0.00 N ATOM 1014 CA ASP A 66 17.860 -5.722 -12.322 1.00 0.00 C ATOM 1015 C ASP A 66 17.007 -6.170 -13.540 1.00 0.00 C ATOM 1016 O ASP A 66 17.361 -7.131 -14.230 1.00 0.00 O ATOM 1017 CB ASP A 66 18.110 -6.900 -11.330 1.00 0.00 C ATOM 1018 CG ASP A 66 19.168 -7.909 -11.814 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.375 -7.580 -11.746 1.00 0.00 O ATOM 1020 OD2 ASP A 66 18.815 -9.033 -12.233 1.00 0.00 O ATOM 0 H ASP A 66 16.629 -4.905 -10.817 1.00 0.00 H new ATOM 0 HA ASP A 66 18.815 -5.386 -12.727 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.424 -6.492 -10.369 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.170 -7.426 -11.162 1.00 0.00 H new ATOM 1025 N GLY A 67 15.903 -5.436 -13.814 1.00 0.00 N ATOM 1026 CA GLY A 67 15.049 -5.688 -14.987 1.00 0.00 C ATOM 1027 C GLY A 67 14.344 -7.039 -14.980 1.00 0.00 C ATOM 1028 O GLY A 67 14.031 -7.582 -16.042 1.00 0.00 O ATOM 0 H GLY A 67 15.586 -4.661 -13.231 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.297 -4.901 -15.049 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.660 -5.616 -15.887 1.00 0.00 H new ATOM 1032 N LYS A 68 14.120 -7.591 -13.778 1.00 0.00 N ATOM 1033 CA LYS A 68 13.344 -8.829 -13.589 1.00 0.00 C ATOM 1034 C LYS A 68 11.863 -8.510 -13.347 1.00 0.00 C ATOM 1035 O LYS A 68 10.985 -9.321 -13.664 1.00 0.00 O ATOM 1036 CB LYS A 68 13.925 -9.645 -12.412 1.00 0.00 C ATOM 1037 CG LYS A 68 15.338 -10.213 -12.684 1.00 0.00 C ATOM 1038 CD LYS A 68 15.921 -10.983 -11.477 1.00 0.00 C ATOM 1039 CE LYS A 68 16.217 -10.068 -10.277 1.00 0.00 C ATOM 1040 NZ LYS A 68 16.594 -10.835 -9.075 1.00 0.00 N ATOM 0 H LYS A 68 14.472 -7.192 -12.908 1.00 0.00 H new ATOM 0 HA LYS A 68 13.416 -9.427 -14.498 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.963 -9.011 -11.526 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.249 -10.470 -12.185 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.297 -10.878 -13.547 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.009 -9.394 -12.944 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.219 -11.759 -11.173 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.839 -11.486 -11.781 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.023 -9.381 -10.536 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.338 -9.461 -10.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.197 -10.375 -8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.221 -11.803 -9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.630 -10.869 -8.996 1.00 0.00 H new ATOM 1054 N ALA A 69 11.595 -7.319 -12.787 1.00 0.00 N ATOM 1055 CA ALA A 69 10.237 -6.842 -12.502 1.00 0.00 C ATOM 1056 C ALA A 69 10.154 -5.358 -12.859 1.00 0.00 C ATOM 1057 O ALA A 69 11.164 -4.650 -12.818 1.00 0.00 O ATOM 1058 CB ALA A 69 9.879 -7.069 -11.023 1.00 0.00 C ATOM 0 H ALA A 69 12.323 -6.657 -12.518 1.00 0.00 H new ATOM 0 HA ALA A 69 9.519 -7.402 -13.102 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.868 -6.708 -10.834 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.933 -8.133 -10.795 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.582 -6.526 -10.391 1.00 0.00 H new ATOM 1064 N THR A 70 8.953 -4.894 -13.220 1.00 0.00 N ATOM 1065 CA THR A 70 8.706 -3.480 -13.555 1.00 0.00 C ATOM 1066 C THR A 70 8.515 -2.664 -12.256 1.00 0.00 C ATOM 1067 O THR A 70 8.145 -3.229 -11.216 1.00 0.00 O ATOM 1068 CB THR A 70 7.440 -3.346 -14.482 1.00 0.00 C ATOM 1069 OG1 THR A 70 7.451 -4.401 -15.460 1.00 0.00 O ATOM 1070 CG2 THR A 70 7.388 -1.987 -15.218 1.00 0.00 C ATOM 0 H THR A 70 8.124 -5.484 -13.289 1.00 0.00 H new ATOM 0 HA THR A 70 9.566 -3.088 -14.097 1.00 0.00 H new ATOM 0 HB THR A 70 6.561 -3.414 -13.841 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.116 -5.227 -15.053 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.496 -1.946 -15.844 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.356 -1.179 -14.488 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.275 -1.877 -15.843 1.00 0.00 H new ATOM 1078 N THR A 71 8.766 -1.342 -12.333 1.00 0.00 N ATOM 1079 CA THR A 71 8.523 -0.395 -11.231 1.00 0.00 C ATOM 1080 C THR A 71 7.071 -0.514 -10.713 1.00 0.00 C ATOM 1081 O THR A 71 6.845 -0.582 -9.507 1.00 0.00 O ATOM 1082 CB THR A 71 8.796 1.070 -11.707 1.00 0.00 C ATOM 1083 OG1 THR A 71 8.148 1.276 -12.971 1.00 0.00 O ATOM 1084 CG2 THR A 71 10.297 1.378 -11.859 1.00 0.00 C ATOM 0 H THR A 71 9.146 -0.900 -13.170 1.00 0.00 H new ATOM 0 HA THR A 71 9.204 -0.641 -10.416 1.00 0.00 H new ATOM 0 HB THR A 71 8.402 1.741 -10.944 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.195 1.451 -12.825 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.425 2.408 -12.191 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.795 1.242 -10.899 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.734 0.702 -12.594 1.00 0.00 H new ATOM 1092 N GLU A 72 6.118 -0.546 -11.670 1.00 0.00 N ATOM 1093 CA GLU A 72 4.666 -0.709 -11.423 1.00 0.00 C ATOM 1094 C GLU A 72 4.362 -1.789 -10.358 1.00 0.00 C ATOM 1095 O GLU A 72 3.702 -1.519 -9.349 1.00 0.00 O ATOM 1096 CB GLU A 72 3.917 -1.090 -12.748 1.00 0.00 C ATOM 1097 CG GLU A 72 4.313 -0.292 -14.009 1.00 0.00 C ATOM 1098 CD GLU A 72 4.322 1.227 -13.808 1.00 0.00 C ATOM 1099 OE1 GLU A 72 3.235 1.832 -13.708 1.00 0.00 O ATOM 1100 OE2 GLU A 72 5.413 1.822 -13.749 1.00 0.00 O ATOM 0 H GLU A 72 6.342 -0.457 -12.661 1.00 0.00 H new ATOM 0 HA GLU A 72 4.312 0.252 -11.050 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.087 -2.148 -12.945 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.847 -0.964 -12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.304 -0.611 -14.332 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.621 -0.538 -14.814 1.00 0.00 H new ATOM 1107 N GLN A 73 4.937 -2.980 -10.599 1.00 0.00 N ATOM 1108 CA GLN A 73 4.637 -4.233 -9.863 1.00 0.00 C ATOM 1109 C GLN A 73 4.801 -4.117 -8.329 1.00 0.00 C ATOM 1110 O GLN A 73 4.248 -4.935 -7.580 1.00 0.00 O ATOM 1111 CB GLN A 73 5.513 -5.381 -10.430 1.00 0.00 C ATOM 1112 CG GLN A 73 5.237 -5.697 -11.918 1.00 0.00 C ATOM 1113 CD GLN A 73 6.126 -6.800 -12.484 1.00 0.00 C ATOM 1114 OE1 GLN A 73 6.396 -6.747 -13.778 1.00 0.00 O flip ATOM 1115 NE2 GLN A 73 6.571 -7.694 -11.762 1.00 0.00 N flip ATOM 0 H GLN A 73 5.640 -3.107 -11.327 1.00 0.00 H new ATOM 0 HA GLN A 73 3.581 -4.450 -10.020 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.564 -5.116 -10.313 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.344 -6.281 -9.839 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.193 -5.990 -12.031 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.379 -4.790 -12.506 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.344 -7.707 -10.768 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.166 -8.421 -12.159 1.00 0.00 H new ATOM 1124 N TYR A 74 5.580 -3.124 -7.869 1.00 0.00 N ATOM 1125 CA TYR A 74 5.781 -2.865 -6.431 1.00 0.00 C ATOM 1126 C TYR A 74 5.359 -1.441 -6.029 1.00 0.00 C ATOM 1127 O TYR A 74 4.930 -1.232 -4.888 1.00 0.00 O ATOM 1128 CB TYR A 74 7.266 -3.104 -6.063 1.00 0.00 C ATOM 1129 CG TYR A 74 7.756 -4.527 -6.373 1.00 0.00 C ATOM 1130 CD1 TYR A 74 7.270 -5.618 -5.656 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.691 -4.780 -7.377 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.699 -6.906 -5.923 1.00 0.00 C ATOM 1133 CE2 TYR A 74 9.124 -6.063 -7.648 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.629 -7.125 -6.921 1.00 0.00 C ATOM 1135 OH TYR A 74 9.064 -8.404 -7.193 1.00 0.00 O ATOM 0 H TYR A 74 6.086 -2.481 -8.478 1.00 0.00 H new ATOM 0 HA TYR A 74 5.144 -3.556 -5.879 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.885 -2.389 -6.605 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.405 -2.904 -5.000 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.542 -5.455 -4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.084 -3.956 -7.954 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.309 -7.737 -5.354 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.850 -6.235 -8.429 1.00 0.00 H new ATOM 0 HH TYR A 74 9.716 -8.379 -7.924 1.00 0.00 H new ATOM 1145 N PHE A 75 5.464 -0.460 -6.955 1.00 0.00 N ATOM 1146 CA PHE A 75 5.338 0.979 -6.618 1.00 0.00 C ATOM 1147 C PHE A 75 4.006 1.594 -7.133 1.00 0.00 C ATOM 1148 O PHE A 75 3.882 2.811 -7.179 1.00 0.00 O ATOM 1149 CB PHE A 75 6.558 1.767 -7.191 1.00 0.00 C ATOM 1150 CG PHE A 75 7.929 1.340 -6.636 1.00 0.00 C ATOM 1151 CD1 PHE A 75 8.302 1.665 -5.332 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.846 0.626 -7.417 1.00 0.00 C ATOM 1153 CE1 PHE A 75 9.538 1.291 -4.828 1.00 0.00 C ATOM 1154 CE2 PHE A 75 10.078 0.252 -6.910 1.00 0.00 C ATOM 1155 CZ PHE A 75 10.422 0.584 -5.616 1.00 0.00 C ATOM 0 H PHE A 75 5.636 -0.639 -7.944 1.00 0.00 H new ATOM 0 HA PHE A 75 5.327 1.061 -5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.570 1.651 -8.275 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.415 2.828 -6.986 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.617 2.217 -4.705 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.587 0.363 -8.432 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.809 1.554 -3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.771 -0.300 -7.528 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.383 0.290 -5.220 1.00 0.00 H new ATOM 1165 N VAL A 76 3.020 0.756 -7.518 1.00 0.00 N ATOM 1166 CA VAL A 76 1.623 1.214 -7.765 1.00 0.00 C ATOM 1167 C VAL A 76 0.771 0.801 -6.562 1.00 0.00 C ATOM 1168 O VAL A 76 0.922 -0.304 -6.085 1.00 0.00 O ATOM 1169 CB VAL A 76 0.998 0.621 -9.093 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.503 0.973 -9.244 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.766 1.102 -10.336 1.00 0.00 C ATOM 0 H VAL A 76 3.159 -0.243 -7.666 1.00 0.00 H new ATOM 0 HA VAL A 76 1.639 2.296 -7.893 1.00 0.00 H new ATOM 0 HB VAL A 76 1.087 -0.463 -9.014 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.886 0.544 -10.170 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.059 0.567 -8.399 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.622 2.056 -9.270 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.312 0.677 -11.231 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.726 2.190 -10.390 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.805 0.780 -10.269 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.136 1.693 -6.137 1.00 0.00 N ATOM 1182 CA LEU A 77 -0.955 1.560 -4.912 1.00 0.00 C ATOM 1183 C LEU A 77 -1.738 0.231 -4.820 1.00 0.00 C ATOM 1184 O LEU A 77 -1.858 -0.312 -3.729 1.00 0.00 O ATOM 1185 CB LEU A 77 -1.909 2.793 -4.785 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.374 3.987 -3.933 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.270 3.603 -2.441 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.030 4.527 -4.475 1.00 0.00 C ATOM 0 H LEU A 77 -0.329 2.554 -6.648 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.264 1.538 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.133 3.159 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.850 2.456 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.098 4.797 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.895 4.453 -1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.255 3.323 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.587 2.761 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.306 5.357 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.716 3.733 -4.455 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.164 4.873 -5.500 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.270 -0.266 -5.952 1.00 0.00 N ATOM 1201 CA LYS A 78 -3.020 -1.556 -5.986 1.00 0.00 C ATOM 1202 C LYS A 78 -2.071 -2.757 -5.773 1.00 0.00 C ATOM 1203 O LYS A 78 -2.392 -3.690 -5.039 1.00 0.00 O ATOM 1204 CB LYS A 78 -3.810 -1.701 -7.326 1.00 0.00 C ATOM 1205 CG LYS A 78 -2.932 -1.707 -8.600 1.00 0.00 C ATOM 1206 CD LYS A 78 -3.746 -1.691 -9.903 1.00 0.00 C ATOM 1207 CE LYS A 78 -2.849 -1.626 -11.156 1.00 0.00 C ATOM 1208 NZ LYS A 78 -1.995 -2.835 -11.312 1.00 0.00 N ATOM 0 H LYS A 78 -2.200 0.197 -6.858 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.738 -1.549 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.385 -2.626 -7.294 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.526 -0.883 -7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.273 -0.839 -8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.295 -2.592 -8.589 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.368 -2.585 -9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.420 -0.834 -9.897 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.475 -1.511 -12.041 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.214 -0.742 -11.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.285 -2.665 -12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.515 -3.039 -10.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.588 -3.646 -11.580 1.00 0.00 H new ATOM 1222 N ASN A 79 -0.886 -2.683 -6.408 1.00 0.00 N ATOM 1223 CA ASN A 79 0.137 -3.752 -6.375 1.00 0.00 C ATOM 1224 C ASN A 79 0.846 -3.765 -5.018 1.00 0.00 C ATOM 1225 O ASN A 79 1.195 -4.818 -4.504 1.00 0.00 O ATOM 1226 CB ASN A 79 1.168 -3.531 -7.516 1.00 0.00 C ATOM 1227 CG ASN A 79 0.551 -3.551 -8.921 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.427 -4.243 -9.191 1.00 0.00 O ATOM 1229 ND2 ASN A 79 1.116 -2.773 -9.824 1.00 0.00 N ATOM 0 H ASN A 79 -0.607 -1.874 -6.963 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.353 -4.715 -6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.667 -2.574 -7.362 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.935 -4.303 -7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.741 -2.736 -10.772 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.928 -2.208 -9.574 1.00 0.00 H new ATOM 1236 N LEU A 80 1.013 -2.562 -4.458 1.00 0.00 N ATOM 1237 CA LEU A 80 1.614 -2.328 -3.145 1.00 0.00 C ATOM 1238 C LEU A 80 0.668 -2.859 -2.066 1.00 0.00 C ATOM 1239 O LEU A 80 1.098 -3.568 -1.169 1.00 0.00 O ATOM 1240 CB LEU A 80 1.898 -0.809 -2.962 1.00 0.00 C ATOM 1241 CG LEU A 80 2.553 -0.362 -1.611 1.00 0.00 C ATOM 1242 CD1 LEU A 80 3.891 -1.089 -1.348 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.732 1.175 -1.568 1.00 0.00 C ATOM 0 H LEU A 80 0.724 -1.700 -4.921 1.00 0.00 H new ATOM 0 HA LEU A 80 2.565 -2.855 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.547 -0.486 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.956 -0.273 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 80 1.873 -0.648 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.310 -0.749 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.718 -2.164 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.590 -0.868 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.188 1.462 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.375 1.490 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.759 1.657 -1.663 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.636 -2.549 -2.220 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.699 -3.051 -1.331 1.00 0.00 C ATOM 1257 C ALA A 81 -1.749 -4.586 -1.341 1.00 0.00 C ATOM 1258 O ALA A 81 -1.966 -5.216 -0.303 1.00 0.00 O ATOM 1259 CB ALA A 81 -3.056 -2.465 -1.738 1.00 0.00 C ATOM 0 H ALA A 81 -0.980 -1.943 -2.965 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.471 -2.730 -0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.831 -2.845 -1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.019 -1.378 -1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.285 -2.755 -2.764 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.515 -5.164 -2.534 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.430 -6.619 -2.719 1.00 0.00 C ATOM 1267 C ALA A 82 -0.233 -7.197 -1.941 1.00 0.00 C ATOM 1268 O ALA A 82 -0.405 -8.150 -1.187 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.328 -6.972 -4.208 1.00 0.00 C ATOM 0 H ALA A 82 -1.380 -4.633 -3.394 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.342 -7.066 -2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.266 -8.054 -4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.210 -6.602 -4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.435 -6.511 -4.631 1.00 0.00 H new ATOM 1275 N ARG A 83 0.957 -6.576 -2.124 1.00 0.00 N ATOM 1276 CA ARG A 83 2.216 -6.977 -1.442 1.00 0.00 C ATOM 1277 C ARG A 83 2.015 -7.107 0.077 1.00 0.00 C ATOM 1278 O ARG A 83 2.287 -8.148 0.669 1.00 0.00 O ATOM 1279 CB ARG A 83 3.348 -5.936 -1.698 1.00 0.00 C ATOM 1280 CG ARG A 83 3.867 -5.808 -3.147 1.00 0.00 C ATOM 1281 CD ARG A 83 4.615 -7.051 -3.658 1.00 0.00 C ATOM 1282 NE ARG A 83 3.729 -8.183 -4.011 1.00 0.00 N ATOM 1283 CZ ARG A 83 3.438 -8.574 -5.261 1.00 0.00 C ATOM 1284 NH1 ARG A 83 3.846 -7.867 -6.319 1.00 0.00 N ATOM 1285 NH2 ARG A 83 2.739 -9.675 -5.442 1.00 0.00 N ATOM 0 H ARG A 83 1.073 -5.780 -2.751 1.00 0.00 H new ATOM 0 HA ARG A 83 2.501 -7.944 -1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.987 -4.958 -1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.192 -6.189 -1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.023 -5.608 -3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.532 -4.946 -3.209 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.202 -6.775 -4.534 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.319 -7.379 -2.893 1.00 0.00 H new ATOM 0 HE ARG A 83 3.307 -8.707 -3.244 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.389 -7.014 -6.184 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.615 -8.180 -7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.426 -10.219 -4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.510 -9.984 -6.387 1.00 0.00 H new ATOM 1299 N ILE A 84 1.478 -6.029 0.649 1.00 0.00 N ATOM 1300 CA ILE A 84 1.278 -5.859 2.093 1.00 0.00 C ATOM 1301 C ILE A 84 0.248 -6.874 2.621 1.00 0.00 C ATOM 1302 O ILE A 84 0.475 -7.503 3.648 1.00 0.00 O ATOM 1303 CB ILE A 84 0.805 -4.391 2.353 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.878 -3.376 1.839 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.449 -4.139 3.835 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.377 -1.953 1.712 1.00 0.00 C ATOM 0 H ILE A 84 1.160 -5.225 0.107 1.00 0.00 H new ATOM 0 HA ILE A 84 2.212 -6.042 2.624 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.115 -4.238 1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.730 -3.390 2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.241 -3.710 0.867 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.127 -3.105 3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.357 -4.809 4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.325 -4.324 4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.183 -1.315 1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.545 -1.922 1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.042 -1.597 2.686 1.00 0.00 H new ATOM 1318 N ASP A 85 -0.861 -7.041 1.868 1.00 0.00 N ATOM 1319 CA ASP A 85 -1.953 -7.981 2.213 1.00 0.00 C ATOM 1320 C ASP A 85 -1.437 -9.440 2.279 1.00 0.00 C ATOM 1321 O ASP A 85 -1.837 -10.204 3.158 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.108 -7.860 1.176 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.260 -8.844 1.447 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -5.088 -8.579 2.341 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -4.327 -9.899 0.783 1.00 0.00 O ATOM 0 H ASP A 85 -1.026 -6.528 1.002 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.332 -7.716 3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.496 -6.841 1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.712 -8.038 0.176 1.00 0.00 H new ATOM 1330 N GLU A 86 -0.542 -9.790 1.335 1.00 0.00 N ATOM 1331 CA GLU A 86 0.092 -11.125 1.265 1.00 0.00 C ATOM 1332 C GLU A 86 1.040 -11.344 2.457 1.00 0.00 C ATOM 1333 O GLU A 86 1.165 -12.462 2.944 1.00 0.00 O ATOM 1334 CB GLU A 86 0.867 -11.287 -0.069 1.00 0.00 C ATOM 1335 CG GLU A 86 -0.014 -11.232 -1.327 1.00 0.00 C ATOM 1336 CD GLU A 86 0.803 -11.170 -2.631 1.00 0.00 C ATOM 1337 OE1 GLU A 86 1.495 -10.149 -2.852 1.00 0.00 O ATOM 1338 OE2 GLU A 86 0.754 -12.124 -3.435 1.00 0.00 O ATOM 0 H GLU A 86 -0.236 -9.155 0.597 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.696 -11.877 1.309 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.621 -10.503 -0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.398 -12.239 -0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.660 -12.110 -1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.665 -10.359 -1.270 1.00 0.00 H new ATOM 1345 N LEU A 87 1.714 -10.262 2.899 1.00 0.00 N ATOM 1346 CA LEU A 87 2.607 -10.294 4.083 1.00 0.00 C ATOM 1347 C LEU A 87 1.795 -10.367 5.400 1.00 0.00 C ATOM 1348 O LEU A 87 2.259 -10.945 6.383 1.00 0.00 O ATOM 1349 CB LEU A 87 3.567 -9.070 4.071 1.00 0.00 C ATOM 1350 CG LEU A 87 4.495 -8.954 2.816 1.00 0.00 C ATOM 1351 CD1 LEU A 87 5.332 -7.671 2.859 1.00 0.00 C ATOM 1352 CD2 LEU A 87 5.385 -10.207 2.642 1.00 0.00 C ATOM 0 H LEU A 87 1.658 -9.347 2.452 1.00 0.00 H new ATOM 0 HA LEU A 87 3.212 -11.199 4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.970 -8.161 4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.194 -9.113 4.962 1.00 0.00 H new ATOM 0 HG LEU A 87 3.849 -8.897 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.966 -7.620 1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.670 -6.805 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.956 -7.674 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.014 -10.087 1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.015 -10.331 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.754 -11.087 2.520 1.00 0.00 H new ATOM 1364 N VAL A 88 0.578 -9.783 5.395 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.389 -9.890 6.514 1.00 0.00 C ATOM 1366 C VAL A 88 -0.959 -11.331 6.568 1.00 0.00 C ATOM 1367 O VAL A 88 -1.164 -11.905 7.651 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.544 -8.816 6.380 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.649 -9.020 7.454 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -0.969 -7.369 6.467 1.00 0.00 C ATOM 0 H VAL A 88 0.235 -9.223 4.615 1.00 0.00 H new ATOM 0 HA VAL A 88 0.129 -9.682 7.450 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.001 -8.955 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.423 -8.263 7.328 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.089 -10.011 7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.211 -8.929 8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.781 -6.648 6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.472 -7.232 7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.251 -7.214 5.662 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.166 -11.913 5.377 1.00 0.00 N ATOM 1381 CA ALA A 89 -1.616 -13.308 5.219 1.00 0.00 C ATOM 1382 C ALA A 89 -0.512 -14.281 5.685 1.00 0.00 C ATOM 1383 O ALA A 89 -0.786 -15.273 6.371 1.00 0.00 O ATOM 1384 CB ALA A 89 -2.007 -13.571 3.752 1.00 0.00 C ATOM 0 H ALA A 89 -1.026 -11.428 4.491 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.495 -13.474 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.338 -14.604 3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.815 -12.898 3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.144 -13.397 3.109 1.00 0.00 H new ATOM 1390 N ALA A 90 0.744 -13.944 5.323 1.00 0.00 N ATOM 1391 CA ALA A 90 1.942 -14.720 5.678 1.00 0.00 C ATOM 1392 C ALA A 90 2.176 -14.714 7.197 1.00 0.00 C ATOM 1393 O ALA A 90 2.450 -15.766 7.781 1.00 0.00 O ATOM 1394 CB ALA A 90 3.168 -14.153 4.945 1.00 0.00 C ATOM 0 H ALA A 90 0.953 -13.114 4.769 1.00 0.00 H new ATOM 0 HA ALA A 90 1.786 -15.753 5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.052 -14.732 5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.008 -14.212 3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.315 -13.112 5.234 1.00 0.00 H new ATOM 1400 N LYS A 91 2.003 -13.531 7.838 1.00 0.00 N ATOM 1401 CA LYS A 91 2.214 -13.393 9.292 1.00 0.00 C ATOM 1402 C LYS A 91 1.015 -14.001 10.048 1.00 0.00 C ATOM 1403 O LYS A 91 1.118 -14.308 11.237 1.00 0.00 O ATOM 1404 CB LYS A 91 2.415 -11.906 9.715 1.00 0.00 C ATOM 1405 CG LYS A 91 1.126 -11.043 9.739 1.00 0.00 C ATOM 1406 CD LYS A 91 1.257 -9.765 10.594 1.00 0.00 C ATOM 1407 CE LYS A 91 -0.058 -8.963 10.678 1.00 0.00 C ATOM 1408 NZ LYS A 91 0.025 -7.873 11.684 1.00 0.00 N ATOM 0 H LYS A 91 1.720 -12.669 7.372 1.00 0.00 H new ATOM 0 HA LYS A 91 3.127 -13.930 9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.865 -11.886 10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.129 -11.445 9.032 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.867 -10.763 8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.302 -11.645 10.123 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.575 -10.038 11.600 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.038 -9.131 10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.288 -8.539 9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.877 -9.634 10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.890 -7.778 12.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.764 -8.098 12.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.259 -6.978 11.208 1.00 0.00 H new