USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=14 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 70 THR OG1 : rot -127:sc= 0.431 USER MOD Set 1.2: A 73 GLN : amide:sc= -0.345 K(o=0.086,f=-0.45) USER MOD Set 2.1: A 28 HIS : no HD1:sc= -1.03 K(o=-1,f=-10!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 4 THR OG1 : rot 149:sc= 0.328 USER MOD Single : A 10 THR OG1 : rot 75:sc= 1.06 USER MOD Single : A 15 THR OG1 : rot 73:sc= 0.998 USER MOD Single : A 16 CYS SG : rot 82:sc= -2.92! USER MOD Single : A 22 THR OG1 : rot -45:sc= 0.382 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.506 USER MOD Single : A 27 SER OG : rot 150:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0096) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 71:sc= 0.963 USER MOD Single : A 62 GLN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.674 X(o=-0.67,f=-0.59) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.381 K(o=-0.38,f=-1.9) USER MOD Single : A 91 LYS NZ :NH3+ 149:sc= 1.86 (180deg=-0.303) USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -7.103 -2.439 3.388 1.00 0.00 N ATOM 46 CA THR A 4 -5.640 -2.270 3.292 1.00 0.00 C ATOM 47 C THR A 4 -5.271 -1.048 2.425 1.00 0.00 C ATOM 48 O THR A 4 -4.475 -0.223 2.842 1.00 0.00 O ATOM 49 CB THR A 4 -4.956 -3.551 2.718 1.00 0.00 C ATOM 50 OG1 THR A 4 -5.316 -4.681 3.530 1.00 0.00 O ATOM 51 CG2 THR A 4 -3.422 -3.434 2.676 1.00 0.00 C ATOM 0 HA THR A 4 -5.272 -2.103 4.304 1.00 0.00 H new ATOM 0 HB THR A 4 -5.305 -3.676 1.693 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.350 -5.486 2.973 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.998 -4.352 2.269 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.138 -2.592 2.045 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.041 -3.275 3.685 1.00 0.00 H new ATOM 59 N PHE A 5 -5.920 -0.931 1.251 1.00 0.00 N ATOM 60 CA PHE A 5 -5.711 0.199 0.316 1.00 0.00 C ATOM 61 C PHE A 5 -5.970 1.559 1.004 1.00 0.00 C ATOM 62 O PHE A 5 -5.163 2.484 0.866 1.00 0.00 O ATOM 63 CB PHE A 5 -6.616 0.041 -0.944 1.00 0.00 C ATOM 64 CG PHE A 5 -6.753 1.322 -1.782 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.664 1.841 -2.483 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.963 2.031 -1.824 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.777 3.021 -3.187 1.00 0.00 C ATOM 68 CE2 PHE A 5 -8.070 3.206 -2.542 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.977 3.699 -3.219 1.00 0.00 C ATOM 0 H PHE A 5 -6.603 -1.613 0.922 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.668 0.181 0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.209 -0.750 -1.573 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.608 -0.281 -0.628 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.722 1.313 -2.474 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.821 1.653 -1.288 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.922 3.416 -3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -9.010 3.737 -2.572 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.060 4.620 -3.777 1.00 0.00 H new ATOM 79 N ASP A 6 -7.101 1.657 1.739 1.00 0.00 N ATOM 80 CA ASP A 6 -7.471 2.880 2.492 1.00 0.00 C ATOM 81 C ASP A 6 -6.384 3.247 3.502 1.00 0.00 C ATOM 82 O ASP A 6 -5.972 4.402 3.585 1.00 0.00 O ATOM 83 CB ASP A 6 -8.809 2.703 3.247 1.00 0.00 C ATOM 84 CG ASP A 6 -10.028 2.662 2.325 1.00 0.00 C ATOM 85 OD1 ASP A 6 -10.187 1.672 1.584 1.00 0.00 O ATOM 86 OD2 ASP A 6 -10.835 3.621 2.343 1.00 0.00 O ATOM 0 H ASP A 6 -7.778 0.899 1.828 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.580 3.679 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.771 1.781 3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.928 3.521 3.957 1.00 0.00 H new ATOM 91 N ARG A 7 -5.921 2.223 4.242 1.00 0.00 N ATOM 92 CA ARG A 7 -4.887 2.362 5.277 1.00 0.00 C ATOM 93 C ARG A 7 -3.573 2.883 4.682 1.00 0.00 C ATOM 94 O ARG A 7 -2.984 3.821 5.212 1.00 0.00 O ATOM 95 CB ARG A 7 -4.650 0.998 5.984 1.00 0.00 C ATOM 96 CG ARG A 7 -5.805 0.528 6.890 1.00 0.00 C ATOM 97 CD ARG A 7 -5.988 1.440 8.113 1.00 0.00 C ATOM 98 NE ARG A 7 -6.969 0.892 9.072 1.00 0.00 N ATOM 99 CZ ARG A 7 -6.694 0.534 10.342 1.00 0.00 C ATOM 100 NH1 ARG A 7 -5.439 0.571 10.798 1.00 0.00 N ATOM 101 NH2 ARG A 7 -7.671 0.115 11.137 1.00 0.00 N ATOM 0 H ARG A 7 -6.260 1.267 4.135 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.238 3.089 6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.471 0.237 5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.743 1.069 6.584 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.730 0.504 6.314 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.611 -0.491 7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.028 1.573 8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.315 2.426 7.784 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.929 0.775 8.748 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.682 0.872 10.184 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.238 0.299 11.760 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -8.628 0.064 10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.465 -0.156 12.098 1.00 0.00 H new ATOM 115 N VAL A 8 -3.168 2.305 3.539 1.00 0.00 N ATOM 116 CA VAL A 8 -1.913 2.654 2.849 1.00 0.00 C ATOM 117 C VAL A 8 -1.990 4.087 2.294 1.00 0.00 C ATOM 118 O VAL A 8 -1.029 4.847 2.406 1.00 0.00 O ATOM 119 CB VAL A 8 -1.619 1.627 1.689 1.00 0.00 C ATOM 120 CG1 VAL A 8 -0.371 2.021 0.857 1.00 0.00 C ATOM 121 CG2 VAL A 8 -1.470 0.200 2.262 1.00 0.00 C ATOM 0 H VAL A 8 -3.704 1.579 3.064 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.095 2.604 3.568 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.471 1.649 1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.210 1.283 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.528 3.002 0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.503 2.055 1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.267 -0.499 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.645 0.178 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.392 -0.088 2.766 1.00 0.00 H new ATOM 131 N ALA A 9 -3.163 4.439 1.734 1.00 0.00 N ATOM 132 CA ALA A 9 -3.448 5.786 1.194 1.00 0.00 C ATOM 133 C ALA A 9 -3.343 6.860 2.296 1.00 0.00 C ATOM 134 O ALA A 9 -2.777 7.932 2.080 1.00 0.00 O ATOM 135 CB ALA A 9 -4.851 5.820 0.548 1.00 0.00 C ATOM 0 H ALA A 9 -3.947 3.793 1.642 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.702 6.008 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.047 6.818 0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.895 5.095 -0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.603 5.571 1.297 1.00 0.00 H new ATOM 141 N THR A 10 -3.904 6.532 3.470 1.00 0.00 N ATOM 142 CA THR A 10 -3.878 7.394 4.670 1.00 0.00 C ATOM 143 C THR A 10 -2.428 7.628 5.162 1.00 0.00 C ATOM 144 O THR A 10 -2.037 8.776 5.404 1.00 0.00 O ATOM 145 CB THR A 10 -4.764 6.772 5.813 1.00 0.00 C ATOM 146 OG1 THR A 10 -6.106 6.590 5.332 1.00 0.00 O ATOM 147 CG2 THR A 10 -4.809 7.642 7.086 1.00 0.00 C ATOM 0 H THR A 10 -4.395 5.651 3.618 1.00 0.00 H new ATOM 0 HA THR A 10 -4.295 8.364 4.398 1.00 0.00 H new ATOM 0 HB THR A 10 -4.306 5.820 6.082 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.133 5.824 4.721 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.436 7.158 7.835 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.800 7.763 7.480 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.223 8.621 6.843 1.00 0.00 H new ATOM 155 N ILE A 11 -1.639 6.535 5.265 1.00 0.00 N ATOM 156 CA ILE A 11 -0.219 6.592 5.693 1.00 0.00 C ATOM 157 C ILE A 11 0.623 7.450 4.722 1.00 0.00 C ATOM 158 O ILE A 11 1.349 8.350 5.164 1.00 0.00 O ATOM 159 CB ILE A 11 0.417 5.149 5.800 1.00 0.00 C ATOM 160 CG1 ILE A 11 -0.349 4.277 6.845 1.00 0.00 C ATOM 161 CG2 ILE A 11 1.927 5.223 6.152 1.00 0.00 C ATOM 162 CD1 ILE A 11 0.039 2.804 6.879 1.00 0.00 C ATOM 0 H ILE A 11 -1.965 5.591 5.055 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.208 7.053 6.681 1.00 0.00 H new ATOM 0 HB ILE A 11 0.323 4.675 4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.186 4.701 7.836 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.417 4.349 6.640 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.335 4.214 6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.455 5.778 5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.053 5.729 7.109 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.551 2.290 7.638 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.152 2.355 5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.098 2.712 7.119 1.00 0.00 H new ATOM 174 N ILE A 12 0.503 7.167 3.404 1.00 0.00 N ATOM 175 CA ILE A 12 1.233 7.907 2.349 1.00 0.00 C ATOM 176 C ILE A 12 0.897 9.408 2.422 1.00 0.00 C ATOM 177 O ILE A 12 1.800 10.241 2.453 1.00 0.00 O ATOM 178 CB ILE A 12 0.917 7.332 0.904 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.501 5.890 0.750 1.00 0.00 C ATOM 180 CG2 ILE A 12 1.432 8.262 -0.233 1.00 0.00 C ATOM 181 CD1 ILE A 12 1.281 5.239 -0.612 1.00 0.00 C ATOM 0 H ILE A 12 -0.098 6.425 3.044 1.00 0.00 H new ATOM 0 HA ILE A 12 2.300 7.775 2.526 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.168 7.287 0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.572 5.927 0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.057 5.253 1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.190 7.822 -1.201 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.955 9.238 -0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.512 8.378 -0.147 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.723 4.243 -0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.212 5.162 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.750 5.847 -1.386 1.00 0.00 H new ATOM 193 N ALA A 13 -0.413 9.719 2.494 1.00 0.00 N ATOM 194 CA ALA A 13 -0.944 11.090 2.657 1.00 0.00 C ATOM 195 C ALA A 13 -0.249 11.864 3.801 1.00 0.00 C ATOM 196 O ALA A 13 0.261 12.970 3.587 1.00 0.00 O ATOM 197 CB ALA A 13 -2.463 11.029 2.890 1.00 0.00 C ATOM 0 H ALA A 13 -1.146 9.012 2.440 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.733 11.638 1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.854 12.040 3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.943 10.553 2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.670 10.451 3.790 1.00 0.00 H new ATOM 203 N GLU A 14 -0.195 11.230 4.987 1.00 0.00 N ATOM 204 CA GLU A 14 0.428 11.806 6.202 1.00 0.00 C ATOM 205 C GLU A 14 1.937 12.066 6.009 1.00 0.00 C ATOM 206 O GLU A 14 2.490 13.015 6.579 1.00 0.00 O ATOM 207 CB GLU A 14 0.201 10.865 7.416 1.00 0.00 C ATOM 208 CG GLU A 14 -1.270 10.727 7.838 1.00 0.00 C ATOM 209 CD GLU A 14 -1.471 9.731 8.989 1.00 0.00 C ATOM 210 OE1 GLU A 14 -1.132 10.063 10.151 1.00 0.00 O ATOM 211 OE2 GLU A 14 -1.937 8.603 8.746 1.00 0.00 O ATOM 0 H GLU A 14 -0.583 10.298 5.134 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.050 12.767 6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.592 9.877 7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.777 11.237 8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.649 11.704 8.139 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.860 10.406 6.980 1.00 0.00 H new ATOM 218 N THR A 15 2.594 11.216 5.201 1.00 0.00 N ATOM 219 CA THR A 15 4.046 11.302 4.962 1.00 0.00 C ATOM 220 C THR A 15 4.378 12.228 3.760 1.00 0.00 C ATOM 221 O THR A 15 5.512 12.691 3.640 1.00 0.00 O ATOM 222 CB THR A 15 4.664 9.874 4.724 1.00 0.00 C ATOM 223 OG1 THR A 15 4.068 8.930 5.634 1.00 0.00 O ATOM 224 CG2 THR A 15 6.188 9.867 4.938 1.00 0.00 C ATOM 0 H THR A 15 2.138 10.455 4.698 1.00 0.00 H new ATOM 0 HA THR A 15 4.491 11.736 5.858 1.00 0.00 H new ATOM 0 HB THR A 15 4.458 9.597 3.690 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.146 8.745 5.356 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.575 8.863 4.764 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.656 10.562 4.241 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.413 10.171 5.960 1.00 0.00 H new ATOM 232 N CYS A 16 3.389 12.497 2.877 1.00 0.00 N ATOM 233 CA CYS A 16 3.630 13.162 1.564 1.00 0.00 C ATOM 234 C CYS A 16 2.961 14.550 1.451 1.00 0.00 C ATOM 235 O CYS A 16 3.227 15.274 0.480 1.00 0.00 O ATOM 236 CB CYS A 16 3.150 12.259 0.418 1.00 0.00 C ATOM 237 SG CYS A 16 3.940 10.650 0.402 1.00 0.00 S ATOM 0 H CYS A 16 2.410 12.265 3.046 1.00 0.00 H new ATOM 0 HA CYS A 16 4.706 13.323 1.492 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.071 12.125 0.498 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.340 12.758 -0.532 1.00 0.00 H new ATOM 0 HG CYS A 16 3.348 9.867 1.255 1.00 0.00 H new ATOM 243 N ASP A 17 2.098 14.906 2.433 1.00 0.00 N ATOM 244 CA ASP A 17 1.281 16.150 2.419 1.00 0.00 C ATOM 245 C ASP A 17 0.337 16.196 1.196 1.00 0.00 C ATOM 246 O ASP A 17 0.326 17.175 0.440 1.00 0.00 O ATOM 247 CB ASP A 17 2.170 17.437 2.500 1.00 0.00 C ATOM 248 CG ASP A 17 2.962 17.559 3.812 1.00 0.00 C ATOM 249 OD1 ASP A 17 2.337 17.810 4.865 1.00 0.00 O ATOM 250 OD2 ASP A 17 4.204 17.403 3.811 1.00 0.00 O ATOM 0 H ASP A 17 1.946 14.335 3.265 1.00 0.00 H new ATOM 0 HA ASP A 17 0.660 16.131 3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.868 17.439 1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.534 18.315 2.387 1.00 0.00 H new ATOM 255 N ILE A 18 -0.469 15.131 1.018 1.00 0.00 N ATOM 256 CA ILE A 18 -1.382 14.984 -0.148 1.00 0.00 C ATOM 257 C ILE A 18 -2.765 14.445 0.316 1.00 0.00 C ATOM 258 O ILE A 18 -2.832 13.726 1.314 1.00 0.00 O ATOM 259 CB ILE A 18 -0.765 14.051 -1.273 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.392 12.648 -0.699 1.00 0.00 C ATOM 261 CG2 ILE A 18 0.453 14.719 -1.964 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.242 11.686 -1.701 1.00 0.00 C ATOM 0 H ILE A 18 -0.511 14.349 1.671 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.516 15.972 -0.589 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.531 13.906 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.296 12.785 0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.293 12.186 -0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.849 14.051 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.141 15.655 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.226 14.921 -1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.464 10.740 -1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.450 11.511 -2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.165 12.119 -2.087 1.00 0.00 H new ATOM 274 N PRO A 19 -3.894 14.806 -0.387 1.00 0.00 N ATOM 275 CA PRO A 19 -5.244 14.293 -0.052 1.00 0.00 C ATOM 276 C PRO A 19 -5.428 12.823 -0.494 1.00 0.00 C ATOM 277 O PRO A 19 -5.433 12.534 -1.691 1.00 0.00 O ATOM 278 CB PRO A 19 -6.191 15.251 -0.820 1.00 0.00 C ATOM 279 CG PRO A 19 -5.391 15.708 -2.003 1.00 0.00 C ATOM 280 CD PRO A 19 -3.943 15.749 -1.545 1.00 0.00 C ATOM 0 HA PRO A 19 -5.437 14.279 1.021 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.103 14.741 -1.131 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.493 16.093 -0.197 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.514 15.025 -2.844 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.721 16.691 -2.340 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.266 15.438 -2.340 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.648 16.756 -1.250 1.00 0.00 H new ATOM 288 N ARG A 20 -5.611 11.904 0.482 1.00 0.00 N ATOM 289 CA ARG A 20 -5.666 10.436 0.233 1.00 0.00 C ATOM 290 C ARG A 20 -6.820 10.018 -0.714 1.00 0.00 C ATOM 291 O ARG A 20 -6.797 8.916 -1.265 1.00 0.00 O ATOM 292 CB ARG A 20 -5.693 9.643 1.584 1.00 0.00 C ATOM 293 CG ARG A 20 -6.888 9.914 2.548 1.00 0.00 C ATOM 294 CD ARG A 20 -8.164 9.116 2.209 1.00 0.00 C ATOM 295 NE ARG A 20 -9.268 9.392 3.154 1.00 0.00 N ATOM 296 CZ ARG A 20 -10.352 10.156 2.898 1.00 0.00 C ATOM 297 NH1 ARG A 20 -10.501 10.759 1.723 1.00 0.00 N ATOM 298 NH2 ARG A 20 -11.285 10.300 3.823 1.00 0.00 N ATOM 0 H ARG A 20 -5.725 12.154 1.464 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.750 10.171 -0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.683 8.578 1.351 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.770 9.861 2.121 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.582 9.673 3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.122 10.978 2.529 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.485 9.362 1.197 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.937 8.050 2.221 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.205 8.968 4.080 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.791 10.648 0.999 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.325 11.333 1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.185 9.835 4.725 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.105 10.876 3.634 1.00 0.00 H new ATOM 312 N GLU A 21 -7.804 10.917 -0.913 1.00 0.00 N ATOM 313 CA GLU A 21 -8.982 10.668 -1.780 1.00 0.00 C ATOM 314 C GLU A 21 -8.592 10.685 -3.276 1.00 0.00 C ATOM 315 O GLU A 21 -9.241 10.036 -4.104 1.00 0.00 O ATOM 316 CB GLU A 21 -10.074 11.730 -1.489 1.00 0.00 C ATOM 317 CG GLU A 21 -9.648 13.186 -1.760 1.00 0.00 C ATOM 318 CD GLU A 21 -10.705 14.204 -1.313 1.00 0.00 C ATOM 319 OE1 GLU A 21 -11.632 14.504 -2.098 1.00 0.00 O ATOM 320 OE2 GLU A 21 -10.627 14.696 -0.169 1.00 0.00 O ATOM 0 H GLU A 21 -7.808 11.840 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.375 9.676 -1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.951 11.504 -2.095 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.377 11.643 -0.445 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.711 13.389 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.456 13.312 -2.825 1.00 0.00 H new ATOM 327 N THR A 22 -7.520 11.436 -3.603 1.00 0.00 N ATOM 328 CA THR A 22 -6.994 11.539 -4.982 1.00 0.00 C ATOM 329 C THR A 22 -5.917 10.458 -5.236 1.00 0.00 C ATOM 330 O THR A 22 -5.373 10.351 -6.344 1.00 0.00 O ATOM 331 CB THR A 22 -6.413 12.971 -5.257 1.00 0.00 C ATOM 332 OG1 THR A 22 -5.325 13.253 -4.363 1.00 0.00 O ATOM 333 CG2 THR A 22 -7.490 14.071 -5.105 1.00 0.00 C ATOM 0 H THR A 22 -6.996 11.986 -2.923 1.00 0.00 H new ATOM 0 HA THR A 22 -7.821 11.372 -5.672 1.00 0.00 H new ATOM 0 HB THR A 22 -6.058 12.977 -6.288 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.571 12.985 -3.453 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.045 15.046 -5.304 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.298 13.889 -5.814 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.887 14.054 -4.090 1.00 0.00 H new ATOM 341 N ILE A 23 -5.610 9.659 -4.187 1.00 0.00 N ATOM 342 CA ILE A 23 -4.701 8.508 -4.273 1.00 0.00 C ATOM 343 C ILE A 23 -5.572 7.304 -4.678 1.00 0.00 C ATOM 344 O ILE A 23 -6.298 6.738 -3.850 1.00 0.00 O ATOM 345 CB ILE A 23 -3.931 8.256 -2.897 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.764 9.278 -2.679 1.00 0.00 C ATOM 347 CG2 ILE A 23 -3.380 6.819 -2.783 1.00 0.00 C ATOM 348 CD1 ILE A 23 -3.158 10.736 -2.648 1.00 0.00 C ATOM 0 H ILE A 23 -5.993 9.802 -3.253 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.916 8.683 -5.008 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.677 8.402 -2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.267 9.036 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.031 9.137 -3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.866 6.701 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.204 6.108 -2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.681 6.632 -3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.271 11.349 -2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.624 11.007 -3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.864 10.905 -1.835 1.00 0.00 H new ATOM 360 N THR A 24 -5.565 6.999 -5.985 1.00 0.00 N ATOM 361 CA THR A 24 -6.402 5.949 -6.592 1.00 0.00 C ATOM 362 C THR A 24 -5.671 4.588 -6.575 1.00 0.00 C ATOM 363 O THR A 24 -4.443 4.561 -6.421 1.00 0.00 O ATOM 364 CB THR A 24 -6.776 6.358 -8.063 1.00 0.00 C ATOM 365 OG1 THR A 24 -5.580 6.543 -8.840 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.616 7.652 -8.090 1.00 0.00 C ATOM 0 H THR A 24 -4.971 7.480 -6.660 1.00 0.00 H new ATOM 0 HA THR A 24 -7.316 5.844 -6.008 1.00 0.00 H new ATOM 0 HB THR A 24 -7.373 5.554 -8.493 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.821 6.796 -9.756 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.858 7.907 -9.122 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.538 7.499 -7.528 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.047 8.465 -7.639 1.00 0.00 H new ATOM 374 N PRO A 25 -6.407 3.428 -6.704 1.00 0.00 N ATOM 375 CA PRO A 25 -5.778 2.087 -6.811 1.00 0.00 C ATOM 376 C PRO A 25 -4.810 1.968 -8.005 1.00 0.00 C ATOM 377 O PRO A 25 -3.851 1.205 -7.949 1.00 0.00 O ATOM 378 CB PRO A 25 -6.981 1.116 -6.963 1.00 0.00 C ATOM 379 CG PRO A 25 -8.124 1.852 -6.342 1.00 0.00 C ATOM 380 CD PRO A 25 -7.894 3.309 -6.692 1.00 0.00 C ATOM 0 HA PRO A 25 -5.158 1.869 -5.941 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.177 0.885 -8.010 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.795 0.169 -6.457 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.079 1.499 -6.732 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.147 1.705 -5.262 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.326 3.563 -7.660 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.345 3.975 -5.957 1.00 0.00 H new ATOM 388 N GLU A 26 -5.032 2.773 -9.060 1.00 0.00 N ATOM 389 CA GLU A 26 -4.232 2.712 -10.300 1.00 0.00 C ATOM 390 C GLU A 26 -3.105 3.768 -10.283 1.00 0.00 C ATOM 391 O GLU A 26 -2.343 3.873 -11.246 1.00 0.00 O ATOM 392 CB GLU A 26 -5.160 2.919 -11.528 1.00 0.00 C ATOM 393 CG GLU A 26 -5.910 4.268 -11.552 1.00 0.00 C ATOM 394 CD GLU A 26 -6.864 4.402 -12.750 1.00 0.00 C ATOM 395 OE1 GLU A 26 -8.024 3.952 -12.654 1.00 0.00 O ATOM 396 OE2 GLU A 26 -6.451 4.938 -13.802 1.00 0.00 O ATOM 0 H GLU A 26 -5.766 3.481 -9.079 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.764 1.730 -10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.562 2.835 -12.436 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.892 2.112 -11.553 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.478 4.379 -10.628 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.184 5.081 -11.579 1.00 0.00 H new ATOM 403 N SER A 27 -3.006 4.528 -9.176 1.00 0.00 N ATOM 404 CA SER A 27 -1.991 5.579 -9.011 1.00 0.00 C ATOM 405 C SER A 27 -0.640 4.949 -8.659 1.00 0.00 C ATOM 406 O SER A 27 -0.566 4.084 -7.784 1.00 0.00 O ATOM 407 CB SER A 27 -2.422 6.577 -7.906 1.00 0.00 C ATOM 408 OG SER A 27 -1.489 7.640 -7.749 1.00 0.00 O ATOM 0 H SER A 27 -3.628 4.429 -8.373 1.00 0.00 H new ATOM 0 HA SER A 27 -1.893 6.124 -9.950 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.401 6.988 -8.152 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.528 6.046 -6.960 1.00 0.00 H new ATOM 0 HG SER A 27 -1.959 8.446 -7.449 1.00 0.00 H new ATOM 414 N HIS A 28 0.416 5.362 -9.364 1.00 0.00 N ATOM 415 CA HIS A 28 1.790 4.947 -9.059 1.00 0.00 C ATOM 416 C HIS A 28 2.373 5.912 -8.010 1.00 0.00 C ATOM 417 O HIS A 28 2.353 7.130 -8.219 1.00 0.00 O ATOM 418 CB HIS A 28 2.642 4.958 -10.348 1.00 0.00 C ATOM 419 CG HIS A 28 3.942 4.196 -10.250 1.00 0.00 C ATOM 420 ND1 HIS A 28 5.051 4.707 -9.637 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.253 2.986 -10.754 1.00 0.00 C ATOM 422 CE1 HIS A 28 6.000 3.801 -9.793 1.00 0.00 C ATOM 423 NE2 HIS A 28 5.558 2.743 -10.462 1.00 0.00 N ATOM 0 H HIS A 28 0.344 5.993 -10.162 1.00 0.00 H new ATOM 0 HA HIS A 28 1.797 3.933 -8.660 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.051 4.538 -11.162 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.862 5.992 -10.614 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.586 2.328 -11.292 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.009 3.908 -9.423 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.093 1.910 -10.709 1.00 0.00 H new ATOM 431 N ALA A 29 2.834 5.371 -6.872 1.00 0.00 N ATOM 432 CA ALA A 29 3.501 6.134 -5.798 1.00 0.00 C ATOM 433 C ALA A 29 4.625 7.055 -6.318 1.00 0.00 C ATOM 434 O ALA A 29 4.732 8.204 -5.894 1.00 0.00 O ATOM 435 CB ALA A 29 4.048 5.150 -4.750 1.00 0.00 C ATOM 0 H ALA A 29 2.754 4.375 -6.666 1.00 0.00 H new ATOM 0 HA ALA A 29 2.758 6.792 -5.348 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.542 5.705 -3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.226 4.569 -4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.764 4.477 -5.222 1.00 0.00 H new ATOM 441 N ILE A 30 5.412 6.579 -7.293 1.00 0.00 N ATOM 442 CA ILE A 30 6.592 7.322 -7.777 1.00 0.00 C ATOM 443 C ILE A 30 6.192 8.215 -8.969 1.00 0.00 C ATOM 444 O ILE A 30 6.432 9.421 -8.965 1.00 0.00 O ATOM 445 CB ILE A 30 7.772 6.353 -8.189 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.173 5.427 -6.984 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.001 7.135 -8.733 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.318 4.458 -7.270 1.00 0.00 C ATOM 0 H ILE A 30 5.257 5.687 -7.763 1.00 0.00 H new ATOM 0 HA ILE A 30 6.954 7.945 -6.959 1.00 0.00 H new ATOM 0 HB ILE A 30 7.413 5.721 -9.002 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.452 6.056 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.298 4.853 -6.679 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.789 6.432 -9.004 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.707 7.708 -9.612 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.370 7.814 -7.964 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.522 3.863 -6.380 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.040 3.798 -8.092 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.211 5.020 -7.543 1.00 0.00 H new ATOM 460 N ASP A 31 5.527 7.602 -9.957 1.00 0.00 N ATOM 461 CA ASP A 31 5.271 8.219 -11.278 1.00 0.00 C ATOM 462 C ASP A 31 4.123 9.247 -11.230 1.00 0.00 C ATOM 463 O ASP A 31 4.153 10.248 -11.957 1.00 0.00 O ATOM 464 CB ASP A 31 4.969 7.107 -12.316 1.00 0.00 C ATOM 465 CG ASP A 31 4.838 7.631 -13.757 1.00 0.00 C ATOM 466 OD1 ASP A 31 5.883 7.935 -14.369 1.00 0.00 O ATOM 467 OD2 ASP A 31 3.697 7.758 -14.269 1.00 0.00 O ATOM 0 H ASP A 31 5.147 6.660 -9.868 1.00 0.00 H new ATOM 0 HA ASP A 31 6.167 8.765 -11.575 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.764 6.362 -12.280 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.045 6.601 -12.036 1.00 0.00 H new ATOM 472 N ASP A 32 3.120 8.999 -10.376 1.00 0.00 N ATOM 473 CA ASP A 32 1.927 9.870 -10.258 1.00 0.00 C ATOM 474 C ASP A 32 2.043 10.788 -9.039 1.00 0.00 C ATOM 475 O ASP A 32 1.959 12.012 -9.173 1.00 0.00 O ATOM 476 CB ASP A 32 0.624 9.028 -10.194 1.00 0.00 C ATOM 477 CG ASP A 32 0.299 8.362 -11.541 1.00 0.00 C ATOM 478 OD1 ASP A 32 0.804 7.259 -11.805 1.00 0.00 O ATOM 479 OD2 ASP A 32 -0.445 8.957 -12.354 1.00 0.00 O ATOM 0 H ASP A 32 3.106 8.195 -9.748 1.00 0.00 H new ATOM 0 HA ASP A 32 1.878 10.494 -11.150 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.726 8.261 -9.426 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.207 9.668 -9.897 1.00 0.00 H new ATOM 484 N LEU A 33 2.250 10.193 -7.842 1.00 0.00 N ATOM 485 CA LEU A 33 2.324 10.956 -6.573 1.00 0.00 C ATOM 486 C LEU A 33 3.669 11.712 -6.431 1.00 0.00 C ATOM 487 O LEU A 33 3.840 12.486 -5.487 1.00 0.00 O ATOM 488 CB LEU A 33 2.087 10.006 -5.360 1.00 0.00 C ATOM 489 CG LEU A 33 0.775 9.153 -5.397 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.663 8.229 -4.162 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.476 10.048 -5.551 1.00 0.00 C ATOM 0 H LEU A 33 2.369 9.186 -7.728 1.00 0.00 H new ATOM 0 HA LEU A 33 1.536 11.709 -6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.936 9.326 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.080 10.607 -4.451 1.00 0.00 H new ATOM 0 HG LEU A 33 0.828 8.512 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.260 7.652 -4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.515 7.549 -4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.655 8.833 -3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.369 9.424 -5.573 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.536 10.738 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.406 10.614 -6.480 1.00 0.00 H new ATOM 503 N GLY A 34 4.610 11.464 -7.370 1.00 0.00 N ATOM 504 CA GLY A 34 5.870 12.218 -7.451 1.00 0.00 C ATOM 505 C GLY A 34 6.827 11.945 -6.294 1.00 0.00 C ATOM 506 O GLY A 34 7.575 12.832 -5.872 1.00 0.00 O ATOM 0 H GLY A 34 4.514 10.742 -8.084 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.369 11.973 -8.389 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.644 13.284 -7.479 1.00 0.00 H new ATOM 510 N ILE A 35 6.808 10.707 -5.797 1.00 0.00 N ATOM 511 CA ILE A 35 7.613 10.281 -4.645 1.00 0.00 C ATOM 512 C ILE A 35 8.857 9.542 -5.152 1.00 0.00 C ATOM 513 O ILE A 35 8.725 8.543 -5.844 1.00 0.00 O ATOM 514 CB ILE A 35 6.779 9.322 -3.717 1.00 0.00 C ATOM 515 CG1 ILE A 35 5.478 10.023 -3.204 1.00 0.00 C ATOM 516 CG2 ILE A 35 7.633 8.795 -2.547 1.00 0.00 C ATOM 517 CD1 ILE A 35 4.479 9.098 -2.514 1.00 0.00 C ATOM 0 H ILE A 35 6.228 9.963 -6.185 1.00 0.00 H new ATOM 0 HA ILE A 35 7.905 11.159 -4.069 1.00 0.00 H new ATOM 0 HB ILE A 35 6.476 8.462 -4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.759 10.814 -2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.984 10.502 -4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.029 8.135 -1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.487 8.242 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.988 9.634 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.611 9.674 -2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.162 8.321 -3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.950 8.637 -1.645 1.00 0.00 H new ATOM 529 N ASP A 36 10.059 10.029 -4.805 1.00 0.00 N ATOM 530 CA ASP A 36 11.327 9.378 -5.196 1.00 0.00 C ATOM 531 C ASP A 36 11.508 8.055 -4.421 1.00 0.00 C ATOM 532 O ASP A 36 10.892 7.865 -3.371 1.00 0.00 O ATOM 533 CB ASP A 36 12.520 10.347 -4.944 1.00 0.00 C ATOM 534 CG ASP A 36 13.847 9.838 -5.537 1.00 0.00 C ATOM 535 OD1 ASP A 36 14.153 10.147 -6.711 1.00 0.00 O ATOM 536 OD2 ASP A 36 14.575 9.102 -4.851 1.00 0.00 O ATOM 0 H ASP A 36 10.183 10.876 -4.251 1.00 0.00 H new ATOM 0 HA ASP A 36 11.298 9.142 -6.260 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.286 11.321 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.641 10.493 -3.871 1.00 0.00 H new ATOM 541 N SER A 37 12.366 7.163 -4.943 1.00 0.00 N ATOM 542 CA SER A 37 12.625 5.844 -4.350 1.00 0.00 C ATOM 543 C SER A 37 13.147 5.958 -2.893 1.00 0.00 C ATOM 544 O SER A 37 12.640 5.257 -2.000 1.00 0.00 O ATOM 545 CB SER A 37 13.619 5.071 -5.239 1.00 0.00 C ATOM 546 OG SER A 37 13.067 4.824 -6.524 1.00 0.00 O ATOM 0 H SER A 37 12.902 7.339 -5.793 1.00 0.00 H new ATOM 0 HA SER A 37 11.685 5.295 -4.301 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.542 5.642 -5.339 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.879 4.125 -4.763 1.00 0.00 H new ATOM 0 HG SER A 37 13.716 4.334 -7.070 1.00 0.00 H new ATOM 552 N LEU A 38 14.099 6.893 -2.638 1.00 0.00 N ATOM 553 CA LEU A 38 14.701 7.038 -1.289 1.00 0.00 C ATOM 554 C LEU A 38 13.688 7.656 -0.317 1.00 0.00 C ATOM 555 O LEU A 38 13.687 7.354 0.885 1.00 0.00 O ATOM 556 CB LEU A 38 16.059 7.829 -1.315 1.00 0.00 C ATOM 557 CG LEU A 38 16.110 9.270 -1.956 1.00 0.00 C ATOM 558 CD1 LEU A 38 15.466 10.367 -1.072 1.00 0.00 C ATOM 559 CD2 LEU A 38 17.566 9.650 -2.322 1.00 0.00 C ATOM 0 H LEU A 38 14.460 7.545 -3.334 1.00 0.00 H new ATOM 0 HA LEU A 38 14.950 6.040 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 38 16.404 7.918 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 38 16.786 7.212 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 38 15.507 9.221 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.538 11.330 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.417 10.126 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.989 10.418 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.582 10.647 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 38 18.181 9.641 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 38 17.961 8.930 -3.039 1.00 0.00 H new ATOM 571 N ASP A 39 12.817 8.499 -0.878 1.00 0.00 N ATOM 572 CA ASP A 39 11.746 9.175 -0.138 1.00 0.00 C ATOM 573 C ASP A 39 10.676 8.150 0.272 1.00 0.00 C ATOM 574 O ASP A 39 10.131 8.208 1.383 1.00 0.00 O ATOM 575 CB ASP A 39 11.142 10.300 -1.021 1.00 0.00 C ATOM 576 CG ASP A 39 10.143 11.193 -0.268 1.00 0.00 C ATOM 577 OD1 ASP A 39 10.564 12.201 0.335 1.00 0.00 O ATOM 578 OD2 ASP A 39 8.931 10.897 -0.261 1.00 0.00 O ATOM 0 H ASP A 39 12.835 8.735 -1.870 1.00 0.00 H new ATOM 0 HA ASP A 39 12.145 9.628 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.950 10.919 -1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.642 9.850 -1.879 1.00 0.00 H new ATOM 583 N PHE A 40 10.426 7.179 -0.629 1.00 0.00 N ATOM 584 CA PHE A 40 9.399 6.151 -0.433 1.00 0.00 C ATOM 585 C PHE A 40 9.854 5.094 0.595 1.00 0.00 C ATOM 586 O PHE A 40 9.018 4.399 1.158 1.00 0.00 O ATOM 587 CB PHE A 40 9.005 5.469 -1.774 1.00 0.00 C ATOM 588 CG PHE A 40 7.691 4.687 -1.666 1.00 0.00 C ATOM 589 CD1 PHE A 40 6.481 5.369 -1.510 1.00 0.00 C ATOM 590 CD2 PHE A 40 7.656 3.291 -1.677 1.00 0.00 C ATOM 591 CE1 PHE A 40 5.295 4.689 -1.358 1.00 0.00 C ATOM 592 CE2 PHE A 40 6.458 2.611 -1.532 1.00 0.00 C ATOM 593 CZ PHE A 40 5.283 3.314 -1.377 1.00 0.00 C ATOM 0 H PHE A 40 10.933 7.090 -1.510 1.00 0.00 H new ATOM 0 HA PHE A 40 8.515 6.654 -0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.911 6.228 -2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.803 4.794 -2.083 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.477 6.449 -1.509 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.574 2.735 -1.800 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.373 5.235 -1.224 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.445 1.531 -1.540 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.349 2.783 -1.270 1.00 0.00 H new ATOM 603 N LEU A 41 11.182 4.963 0.813 1.00 0.00 N ATOM 604 CA LEU A 41 11.747 4.077 1.873 1.00 0.00 C ATOM 605 C LEU A 41 11.179 4.434 3.266 1.00 0.00 C ATOM 606 O LEU A 41 10.789 3.550 4.034 1.00 0.00 O ATOM 607 CB LEU A 41 13.297 4.176 1.900 1.00 0.00 C ATOM 608 CG LEU A 41 14.037 3.665 0.627 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.544 3.973 0.710 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.789 2.158 0.410 1.00 0.00 C ATOM 0 H LEU A 41 11.890 5.458 0.271 1.00 0.00 H new ATOM 0 HA LEU A 41 11.457 3.054 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.572 5.218 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.662 3.613 2.759 1.00 0.00 H new ATOM 0 HG LEU A 41 13.632 4.195 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.040 3.607 -0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.691 5.050 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.968 3.480 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.317 1.828 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.154 1.601 1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.721 1.979 0.288 1.00 0.00 H new ATOM 622 N ASP A 42 11.139 5.748 3.560 1.00 0.00 N ATOM 623 CA ASP A 42 10.604 6.292 4.834 1.00 0.00 C ATOM 624 C ASP A 42 9.087 6.032 4.946 1.00 0.00 C ATOM 625 O ASP A 42 8.578 5.685 6.021 1.00 0.00 O ATOM 626 CB ASP A 42 10.913 7.807 4.925 1.00 0.00 C ATOM 627 CG ASP A 42 10.498 8.444 6.270 1.00 0.00 C ATOM 628 OD1 ASP A 42 11.320 8.437 7.219 1.00 0.00 O ATOM 629 OD2 ASP A 42 9.360 8.950 6.393 1.00 0.00 O ATOM 0 H ASP A 42 11.477 6.468 2.922 1.00 0.00 H new ATOM 0 HA ASP A 42 11.089 5.784 5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.981 7.961 4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.399 8.323 4.114 1.00 0.00 H new ATOM 634 N ILE A 43 8.387 6.180 3.811 1.00 0.00 N ATOM 635 CA ILE A 43 6.921 5.969 3.723 1.00 0.00 C ATOM 636 C ILE A 43 6.583 4.480 3.918 1.00 0.00 C ATOM 637 O ILE A 43 5.607 4.126 4.581 1.00 0.00 O ATOM 638 CB ILE A 43 6.355 6.443 2.337 1.00 0.00 C ATOM 639 CG1 ILE A 43 6.817 7.901 2.030 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.810 6.321 2.289 1.00 0.00 C ATOM 641 CD1 ILE A 43 6.316 8.475 0.720 1.00 0.00 C ATOM 0 H ILE A 43 8.814 6.449 2.925 1.00 0.00 H new ATOM 0 HA ILE A 43 6.459 6.562 4.512 1.00 0.00 H new ATOM 0 HB ILE A 43 6.756 5.788 1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.486 8.548 2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.907 7.926 2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.449 6.657 1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.522 5.281 2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.372 6.939 3.072 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.692 9.491 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.669 7.858 -0.106 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.226 8.490 0.722 1.00 0.00 H new ATOM 653 N ALA A 44 7.432 3.626 3.336 1.00 0.00 N ATOM 654 CA ALA A 44 7.268 2.171 3.361 1.00 0.00 C ATOM 655 C ALA A 44 7.628 1.612 4.735 1.00 0.00 C ATOM 656 O ALA A 44 7.129 0.574 5.104 1.00 0.00 O ATOM 657 CB ALA A 44 8.125 1.516 2.283 1.00 0.00 C ATOM 0 H ALA A 44 8.262 3.931 2.828 1.00 0.00 H new ATOM 0 HA ALA A 44 6.221 1.943 3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.990 0.435 2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.825 1.888 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.174 1.756 2.456 1.00 0.00 H new ATOM 663 N PHE A 45 8.535 2.302 5.449 1.00 0.00 N ATOM 664 CA PHE A 45 8.834 2.037 6.873 1.00 0.00 C ATOM 665 C PHE A 45 7.588 2.312 7.733 1.00 0.00 C ATOM 666 O PHE A 45 7.283 1.561 8.670 1.00 0.00 O ATOM 667 CB PHE A 45 10.018 2.926 7.345 1.00 0.00 C ATOM 668 CG PHE A 45 10.309 2.857 8.852 1.00 0.00 C ATOM 669 CD1 PHE A 45 11.018 1.793 9.398 1.00 0.00 C ATOM 670 CD2 PHE A 45 9.863 3.860 9.721 1.00 0.00 C ATOM 671 CE1 PHE A 45 11.261 1.725 10.760 1.00 0.00 C ATOM 672 CE2 PHE A 45 10.110 3.789 11.077 1.00 0.00 C ATOM 673 CZ PHE A 45 10.815 2.724 11.594 1.00 0.00 C ATOM 0 H PHE A 45 9.086 3.064 5.054 1.00 0.00 H new ATOM 0 HA PHE A 45 9.115 0.990 6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.916 2.631 6.801 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.808 3.961 7.076 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.384 1.009 8.752 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.317 4.703 9.324 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.803 0.885 11.169 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.751 4.568 11.733 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.017 2.674 12.654 1.00 0.00 H new ATOM 683 N ALA A 46 6.891 3.408 7.400 1.00 0.00 N ATOM 684 CA ALA A 46 5.672 3.826 8.099 1.00 0.00 C ATOM 685 C ALA A 46 4.541 2.790 7.903 1.00 0.00 C ATOM 686 O ALA A 46 3.808 2.477 8.844 1.00 0.00 O ATOM 687 CB ALA A 46 5.248 5.224 7.621 1.00 0.00 C ATOM 0 H ALA A 46 7.159 4.029 6.637 1.00 0.00 H new ATOM 0 HA ALA A 46 5.878 3.879 9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.342 5.528 8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.045 5.937 7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.056 5.199 6.548 1.00 0.00 H new ATOM 693 N ILE A 47 4.450 2.236 6.683 1.00 0.00 N ATOM 694 CA ILE A 47 3.467 1.188 6.328 1.00 0.00 C ATOM 695 C ILE A 47 3.859 -0.166 6.971 1.00 0.00 C ATOM 696 O ILE A 47 3.026 -0.836 7.584 1.00 0.00 O ATOM 697 CB ILE A 47 3.358 1.026 4.767 1.00 0.00 C ATOM 698 CG1 ILE A 47 2.943 2.372 4.086 1.00 0.00 C ATOM 699 CG2 ILE A 47 2.365 -0.097 4.403 1.00 0.00 C ATOM 700 CD1 ILE A 47 2.981 2.363 2.559 1.00 0.00 C ATOM 0 H ILE A 47 5.058 2.501 5.908 1.00 0.00 H new ATOM 0 HA ILE A 47 2.496 1.496 6.715 1.00 0.00 H new ATOM 0 HB ILE A 47 4.343 0.750 4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.933 2.628 4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.602 3.162 4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.305 -0.192 3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.708 -1.039 4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.380 0.145 4.801 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.677 3.339 2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.994 2.143 2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.299 1.600 2.183 1.00 0.00 H new ATOM 712 N ASP A 48 5.140 -0.524 6.809 1.00 0.00 N ATOM 713 CA ASP A 48 5.784 -1.752 7.363 1.00 0.00 C ATOM 714 C ASP A 48 5.422 -1.945 8.845 1.00 0.00 C ATOM 715 O ASP A 48 4.856 -2.960 9.248 1.00 0.00 O ATOM 716 CB ASP A 48 7.322 -1.574 7.198 1.00 0.00 C ATOM 717 CG ASP A 48 8.225 -2.655 7.811 1.00 0.00 C ATOM 718 OD1 ASP A 48 8.510 -2.592 9.028 1.00 0.00 O ATOM 719 OD2 ASP A 48 8.709 -3.539 7.073 1.00 0.00 O ATOM 0 H ASP A 48 5.792 0.046 6.270 1.00 0.00 H new ATOM 0 HA ASP A 48 5.434 -2.637 6.832 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.542 -1.515 6.132 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.600 -0.615 7.635 1.00 0.00 H new ATOM 724 N LYS A 49 5.716 -0.897 9.607 1.00 0.00 N ATOM 725 CA LYS A 49 5.565 -0.873 11.061 1.00 0.00 C ATOM 726 C LYS A 49 4.074 -0.788 11.472 1.00 0.00 C ATOM 727 O LYS A 49 3.663 -1.410 12.458 1.00 0.00 O ATOM 728 CB LYS A 49 6.389 0.322 11.602 1.00 0.00 C ATOM 729 CG LYS A 49 6.492 0.430 13.136 1.00 0.00 C ATOM 730 CD LYS A 49 7.449 1.566 13.584 1.00 0.00 C ATOM 731 CE LYS A 49 6.996 2.962 13.115 1.00 0.00 C ATOM 732 NZ LYS A 49 5.677 3.353 13.675 1.00 0.00 N ATOM 0 H LYS A 49 6.073 -0.021 9.225 1.00 0.00 H new ATOM 0 HA LYS A 49 5.940 -1.800 11.496 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.397 0.257 11.193 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.949 1.244 11.221 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.501 0.608 13.553 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.843 -0.519 13.542 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.524 1.562 14.671 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.447 1.366 13.195 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.744 3.700 13.407 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.943 2.976 12.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.435 4.313 13.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.949 2.686 13.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.722 3.335 14.714 1.00 0.00 H new ATOM 746 N ALA A 50 3.269 -0.041 10.684 1.00 0.00 N ATOM 747 CA ALA A 50 1.817 0.125 10.935 1.00 0.00 C ATOM 748 C ALA A 50 1.039 -1.199 10.777 1.00 0.00 C ATOM 749 O ALA A 50 0.070 -1.447 11.495 1.00 0.00 O ATOM 750 CB ALA A 50 1.223 1.183 9.996 1.00 0.00 C ATOM 0 H ALA A 50 3.603 0.461 9.861 1.00 0.00 H new ATOM 0 HA ALA A 50 1.714 0.453 11.969 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.157 1.290 10.196 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.721 2.138 10.163 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.369 0.874 8.961 1.00 0.00 H new ATOM 756 N PHE A 51 1.450 -2.011 9.793 1.00 0.00 N ATOM 757 CA PHE A 51 0.850 -3.334 9.519 1.00 0.00 C ATOM 758 C PHE A 51 1.599 -4.470 10.240 1.00 0.00 C ATOM 759 O PHE A 51 1.156 -5.623 10.182 1.00 0.00 O ATOM 760 CB PHE A 51 0.810 -3.599 7.991 1.00 0.00 C ATOM 761 CG PHE A 51 -0.253 -2.799 7.236 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.017 -1.530 6.730 1.00 0.00 C ATOM 763 CD2 PHE A 51 -1.523 -3.336 7.016 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.942 -0.829 6.029 1.00 0.00 C ATOM 765 CE2 PHE A 51 -2.477 -2.634 6.313 1.00 0.00 C ATOM 766 CZ PHE A 51 -2.185 -1.384 5.820 1.00 0.00 C ATOM 0 H PHE A 51 2.212 -1.771 9.159 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.168 -3.318 9.908 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.788 -3.368 7.569 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.634 -4.662 7.824 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.990 -1.089 6.889 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.761 -4.316 7.403 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.718 0.155 5.644 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.454 -3.065 6.149 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.933 -0.835 5.267 1.00 0.00 H new ATOM 776 N GLY A 52 2.736 -4.143 10.896 1.00 0.00 N ATOM 777 CA GLY A 52 3.533 -5.124 11.653 1.00 0.00 C ATOM 778 C GLY A 52 4.084 -6.257 10.781 1.00 0.00 C ATOM 779 O GLY A 52 4.166 -7.409 11.218 1.00 0.00 O ATOM 0 H GLY A 52 3.121 -3.199 10.913 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.363 -4.611 12.138 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.916 -5.550 12.444 1.00 0.00 H new ATOM 783 N ILE A 53 4.421 -5.913 9.530 1.00 0.00 N ATOM 784 CA ILE A 53 4.969 -6.843 8.527 1.00 0.00 C ATOM 785 C ILE A 53 6.332 -6.350 8.066 1.00 0.00 C ATOM 786 O ILE A 53 6.725 -5.238 8.398 1.00 0.00 O ATOM 787 CB ILE A 53 4.029 -6.981 7.279 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.741 -5.576 6.644 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.728 -7.714 7.656 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.022 -5.625 5.315 1.00 0.00 C ATOM 0 H ILE A 53 4.319 -4.961 9.178 1.00 0.00 H new ATOM 0 HA ILE A 53 5.054 -7.822 8.999 1.00 0.00 H new ATOM 0 HB ILE A 53 4.537 -7.583 6.526 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.145 -4.990 7.344 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.687 -5.050 6.512 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.090 -7.799 6.776 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.967 -8.710 8.029 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.205 -7.152 8.430 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.864 -4.610 4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.624 -6.180 4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.059 -6.120 5.440 1.00 0.00 H new ATOM 802 N LYS A 54 7.041 -7.184 7.291 1.00 0.00 N ATOM 803 CA LYS A 54 8.311 -6.812 6.673 1.00 0.00 C ATOM 804 C LYS A 54 8.101 -6.607 5.171 1.00 0.00 C ATOM 805 O LYS A 54 7.981 -7.578 4.415 1.00 0.00 O ATOM 806 CB LYS A 54 9.406 -7.879 6.945 1.00 0.00 C ATOM 807 CG LYS A 54 10.831 -7.458 6.513 1.00 0.00 C ATOM 808 CD LYS A 54 11.312 -6.175 7.246 1.00 0.00 C ATOM 809 CE LYS A 54 12.743 -5.759 6.869 1.00 0.00 C ATOM 810 NZ LYS A 54 13.158 -4.511 7.565 1.00 0.00 N ATOM 0 H LYS A 54 6.744 -8.136 7.078 1.00 0.00 H new ATOM 0 HA LYS A 54 8.659 -5.879 7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.416 -8.108 8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.138 -8.798 6.423 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.526 -8.273 6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.847 -7.287 5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.630 -5.356 7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.260 -6.339 8.322 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.434 -6.563 7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.807 -5.612 5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.128 -4.263 7.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.514 -3.737 7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.122 -4.659 8.594 1.00 0.00 H new ATOM 824 N LEU A 55 7.997 -5.337 4.759 1.00 0.00 N ATOM 825 CA LEU A 55 8.012 -4.955 3.348 1.00 0.00 C ATOM 826 C LEU A 55 9.442 -5.097 2.803 1.00 0.00 C ATOM 827 O LEU A 55 10.353 -4.443 3.319 1.00 0.00 O ATOM 828 CB LEU A 55 7.489 -3.498 3.162 1.00 0.00 C ATOM 829 CG LEU A 55 5.963 -3.301 3.412 1.00 0.00 C ATOM 830 CD1 LEU A 55 5.552 -1.823 3.231 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.140 -4.232 2.490 1.00 0.00 C ATOM 0 H LEU A 55 7.900 -4.548 5.398 1.00 0.00 H new ATOM 0 HA LEU A 55 7.348 -5.615 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.039 -2.843 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.719 -3.174 2.147 1.00 0.00 H new ATOM 0 HG LEU A 55 5.749 -3.572 4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.482 -1.718 3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.102 -1.203 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.781 -1.504 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.077 -4.082 2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.361 -4.000 1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.401 -5.270 2.694 1.00 0.00 H new ATOM 843 N PRO A 56 9.684 -5.987 1.791 1.00 0.00 N ATOM 844 CA PRO A 56 10.979 -6.064 1.082 1.00 0.00 C ATOM 845 C PRO A 56 11.122 -4.926 0.050 1.00 0.00 C ATOM 846 O PRO A 56 11.495 -5.176 -1.089 1.00 0.00 O ATOM 847 CB PRO A 56 10.945 -7.482 0.404 1.00 0.00 C ATOM 848 CG PRO A 56 9.700 -8.144 0.929 1.00 0.00 C ATOM 849 CD PRO A 56 8.757 -7.022 1.289 1.00 0.00 C ATOM 0 HA PRO A 56 11.837 -5.944 1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 56 10.917 -7.398 -0.682 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.834 -8.060 0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.259 -8.799 0.178 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.923 -8.762 1.799 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.188 -6.675 0.426 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.035 -7.324 2.047 1.00 0.00 H new ATOM 857 N LEU A 57 10.871 -3.672 0.485 1.00 0.00 N ATOM 858 CA LEU A 57 10.843 -2.484 -0.399 1.00 0.00 C ATOM 859 C LEU A 57 12.236 -2.247 -0.995 1.00 0.00 C ATOM 860 O LEU A 57 12.357 -1.974 -2.195 1.00 0.00 O ATOM 861 CB LEU A 57 10.340 -1.224 0.395 1.00 0.00 C ATOM 862 CG LEU A 57 9.762 -0.001 -0.418 1.00 0.00 C ATOM 863 CD1 LEU A 57 10.803 0.738 -1.280 1.00 0.00 C ATOM 864 CD2 LEU A 57 8.538 -0.423 -1.245 1.00 0.00 C ATOM 0 H LEU A 57 10.681 -3.453 1.463 1.00 0.00 H new ATOM 0 HA LEU A 57 10.146 -2.661 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.567 -1.556 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.172 -0.858 0.997 1.00 0.00 H new ATOM 0 HG LEU A 57 9.448 0.729 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.321 1.563 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.595 1.127 -0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.230 0.047 -2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.157 0.437 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.825 -1.206 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.761 -0.800 -0.579 1.00 0.00 H new ATOM 876 N GLU A 58 13.273 -2.375 -0.146 1.00 0.00 N ATOM 877 CA GLU A 58 14.676 -2.189 -0.558 1.00 0.00 C ATOM 878 C GLU A 58 15.063 -3.244 -1.604 1.00 0.00 C ATOM 879 O GLU A 58 15.812 -2.947 -2.547 1.00 0.00 O ATOM 880 CB GLU A 58 15.639 -2.253 0.661 1.00 0.00 C ATOM 881 CG GLU A 58 15.645 -3.596 1.411 1.00 0.00 C ATOM 882 CD GLU A 58 16.683 -3.660 2.538 1.00 0.00 C ATOM 883 OE1 GLU A 58 16.359 -3.265 3.677 1.00 0.00 O ATOM 884 OE2 GLU A 58 17.827 -4.106 2.295 1.00 0.00 O ATOM 0 H GLU A 58 13.162 -2.609 0.841 1.00 0.00 H new ATOM 0 HA GLU A 58 14.769 -1.198 -1.001 1.00 0.00 H new ATOM 0 HB2 GLU A 58 16.651 -2.041 0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.368 -1.463 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.654 -3.775 1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.841 -4.399 0.701 1.00 0.00 H new ATOM 891 N LYS A 59 14.522 -4.472 -1.438 1.00 0.00 N ATOM 892 CA LYS A 59 14.765 -5.568 -2.382 1.00 0.00 C ATOM 893 C LYS A 59 14.020 -5.300 -3.686 1.00 0.00 C ATOM 894 O LYS A 59 14.565 -5.545 -4.739 1.00 0.00 O ATOM 895 CB LYS A 59 14.360 -6.955 -1.807 1.00 0.00 C ATOM 896 CG LYS A 59 14.717 -8.142 -2.737 1.00 0.00 C ATOM 897 CD LYS A 59 14.535 -9.516 -2.065 1.00 0.00 C ATOM 898 CE LYS A 59 15.037 -10.664 -2.958 1.00 0.00 C ATOM 899 NZ LYS A 59 14.973 -11.976 -2.267 1.00 0.00 N ATOM 0 H LYS A 59 13.915 -4.721 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 59 15.838 -5.604 -2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.852 -7.098 -0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.286 -6.962 -1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.093 -8.096 -3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.751 -8.040 -3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.074 -9.531 -1.118 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.481 -9.670 -1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.438 -10.704 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.065 -10.464 -3.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.320 -12.721 -2.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.565 -11.947 -1.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.989 -12.180 -2.000 1.00 0.00 H new ATOM 913 N TRP A 60 12.790 -4.749 -3.591 1.00 0.00 N ATOM 914 CA TRP A 60 11.946 -4.401 -4.762 1.00 0.00 C ATOM 915 C TRP A 60 12.602 -3.298 -5.599 1.00 0.00 C ATOM 916 O TRP A 60 12.474 -3.275 -6.826 1.00 0.00 O ATOM 917 CB TRP A 60 10.532 -3.949 -4.311 1.00 0.00 C ATOM 918 CG TRP A 60 9.692 -5.041 -3.687 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.837 -6.395 -3.836 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.548 -4.860 -2.840 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.869 -7.052 -3.132 1.00 0.00 N ATOM 922 CE2 TRP A 60 8.066 -6.132 -2.511 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.893 -3.740 -2.330 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.955 -6.319 -1.698 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.794 -3.921 -1.515 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.335 -5.204 -1.205 1.00 0.00 C ATOM 0 H TRP A 60 12.350 -4.531 -2.697 1.00 0.00 H new ATOM 0 HA TRP A 60 11.848 -5.296 -5.376 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.637 -3.135 -3.594 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.000 -3.548 -5.174 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.606 -6.873 -4.425 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.761 -8.065 -3.077 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.240 -2.746 -2.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.594 -7.309 -1.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.282 -3.060 -1.112 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.474 -5.317 -0.563 1.00 0.00 H new ATOM 937 N THR A 61 13.312 -2.400 -4.900 1.00 0.00 N ATOM 938 CA THR A 61 14.134 -1.357 -5.520 1.00 0.00 C ATOM 939 C THR A 61 15.276 -2.011 -6.320 1.00 0.00 C ATOM 940 O THR A 61 15.510 -1.660 -7.479 1.00 0.00 O ATOM 941 CB THR A 61 14.715 -0.403 -4.428 1.00 0.00 C ATOM 942 OG1 THR A 61 13.641 0.093 -3.610 1.00 0.00 O ATOM 943 CG2 THR A 61 15.492 0.787 -5.028 1.00 0.00 C ATOM 0 H THR A 61 13.330 -2.379 -3.880 1.00 0.00 H new ATOM 0 HA THR A 61 13.514 -0.768 -6.196 1.00 0.00 H new ATOM 0 HB THR A 61 15.420 -0.983 -3.833 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.292 -0.634 -3.053 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.873 1.416 -4.223 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.326 0.414 -5.623 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.827 1.373 -5.663 1.00 0.00 H new ATOM 951 N GLN A 62 15.904 -3.040 -5.708 1.00 0.00 N ATOM 952 CA GLN A 62 17.034 -3.778 -6.297 1.00 0.00 C ATOM 953 C GLN A 62 16.562 -4.672 -7.469 1.00 0.00 C ATOM 954 O GLN A 62 17.328 -4.915 -8.398 1.00 0.00 O ATOM 955 CB GLN A 62 17.741 -4.629 -5.198 1.00 0.00 C ATOM 956 CG GLN A 62 18.482 -3.794 -4.129 1.00 0.00 C ATOM 957 CD GLN A 62 19.019 -4.630 -2.962 1.00 0.00 C ATOM 958 OE1 GLN A 62 20.142 -5.135 -3.003 1.00 0.00 O ATOM 959 NE2 GLN A 62 18.234 -4.757 -1.899 1.00 0.00 N ATOM 0 H GLN A 62 15.636 -3.381 -4.785 1.00 0.00 H new ATOM 0 HA GLN A 62 17.749 -3.060 -6.698 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.997 -5.254 -4.704 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.454 -5.300 -5.677 1.00 0.00 H new ATOM 0 HG2 GLN A 62 19.312 -3.269 -4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.805 -3.034 -3.739 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.309 -4.328 -1.894 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.556 -5.284 -1.087 1.00 0.00 H new ATOM 968 N GLU A 63 15.307 -5.179 -7.391 1.00 0.00 N ATOM 969 CA GLU A 63 14.675 -5.967 -8.469 1.00 0.00 C ATOM 970 C GLU A 63 14.595 -5.138 -9.756 1.00 0.00 C ATOM 971 O GLU A 63 15.077 -5.553 -10.803 1.00 0.00 O ATOM 972 CB GLU A 63 13.239 -6.453 -8.076 1.00 0.00 C ATOM 973 CG GLU A 63 13.146 -7.359 -6.829 1.00 0.00 C ATOM 974 CD GLU A 63 13.975 -8.653 -6.929 1.00 0.00 C ATOM 975 OE1 GLU A 63 13.472 -9.652 -7.495 1.00 0.00 O ATOM 976 OE2 GLU A 63 15.130 -8.679 -6.446 1.00 0.00 O ATOM 0 H GLU A 63 14.707 -5.051 -6.576 1.00 0.00 H new ATOM 0 HA GLU A 63 15.298 -6.846 -8.631 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.613 -5.576 -7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.815 -6.991 -8.924 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.477 -6.794 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.102 -7.621 -6.661 1.00 0.00 H new ATOM 983 N VAL A 64 13.999 -3.943 -9.640 1.00 0.00 N ATOM 984 CA VAL A 64 13.857 -3.008 -10.774 1.00 0.00 C ATOM 985 C VAL A 64 15.241 -2.577 -11.330 1.00 0.00 C ATOM 986 O VAL A 64 15.418 -2.463 -12.554 1.00 0.00 O ATOM 987 CB VAL A 64 12.995 -1.744 -10.395 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.778 -0.832 -11.630 1.00 0.00 C ATOM 989 CG2 VAL A 64 11.642 -2.164 -9.765 1.00 0.00 C ATOM 0 H VAL A 64 13.603 -3.596 -8.766 1.00 0.00 H new ATOM 0 HA VAL A 64 13.325 -3.546 -11.559 1.00 0.00 H new ATOM 0 HB VAL A 64 13.546 -1.171 -9.649 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.180 0.033 -11.343 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.743 -0.497 -12.009 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.257 -1.391 -12.408 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.066 -1.274 -9.512 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.081 -2.769 -10.477 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.826 -2.745 -8.861 1.00 0.00 H new ATOM 999 N ASN A 65 16.221 -2.395 -10.412 1.00 0.00 N ATOM 1000 CA ASN A 65 17.630 -2.067 -10.765 1.00 0.00 C ATOM 1001 C ASN A 65 18.281 -3.179 -11.601 1.00 0.00 C ATOM 1002 O ASN A 65 18.994 -2.898 -12.570 1.00 0.00 O ATOM 1003 CB ASN A 65 18.492 -1.819 -9.489 1.00 0.00 C ATOM 1004 CG ASN A 65 18.098 -0.560 -8.720 1.00 0.00 C ATOM 1005 OD1 ASN A 65 17.655 0.430 -9.299 1.00 0.00 O ATOM 1006 ND2 ASN A 65 18.273 -0.583 -7.407 1.00 0.00 N ATOM 0 H ASN A 65 16.061 -2.471 -9.407 1.00 0.00 H new ATOM 0 HA ASN A 65 17.595 -1.154 -11.359 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.404 -2.681 -8.828 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.540 -1.745 -9.778 1.00 0.00 H new ATOM 0 HD21 ASN A 65 18.038 0.236 -6.847 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.643 -1.420 -6.956 1.00 0.00 H new ATOM 1013 N ASP A 66 18.051 -4.448 -11.210 1.00 0.00 N ATOM 1014 CA ASP A 66 18.635 -5.624 -11.893 1.00 0.00 C ATOM 1015 C ASP A 66 17.728 -6.108 -13.054 1.00 0.00 C ATOM 1016 O ASP A 66 18.056 -7.080 -13.742 1.00 0.00 O ATOM 1017 CB ASP A 66 18.858 -6.753 -10.839 1.00 0.00 C ATOM 1018 CG ASP A 66 19.615 -7.989 -11.378 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.813 -7.858 -11.706 1.00 0.00 O ATOM 1020 OD2 ASP A 66 19.021 -9.087 -11.486 1.00 0.00 O ATOM 0 H ASP A 66 17.458 -4.688 -10.416 1.00 0.00 H new ATOM 0 HA ASP A 66 19.592 -5.348 -12.337 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.413 -6.342 -9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.889 -7.074 -10.457 1.00 0.00 H new ATOM 1025 N GLY A 67 16.611 -5.392 -13.294 1.00 0.00 N ATOM 1026 CA GLY A 67 15.654 -5.754 -14.352 1.00 0.00 C ATOM 1027 C GLY A 67 14.848 -7.026 -14.090 1.00 0.00 C ATOM 1028 O GLY A 67 14.273 -7.595 -15.026 1.00 0.00 O ATOM 0 H GLY A 67 16.352 -4.558 -12.767 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.960 -4.925 -14.492 1.00 0.00 H new ATOM 0 HA3 GLY A 67 16.199 -5.874 -15.288 1.00 0.00 H new ATOM 1032 N LYS A 68 14.804 -7.467 -12.815 1.00 0.00 N ATOM 1033 CA LYS A 68 13.979 -8.615 -12.373 1.00 0.00 C ATOM 1034 C LYS A 68 12.485 -8.334 -12.647 1.00 0.00 C ATOM 1035 O LYS A 68 11.745 -9.203 -13.108 1.00 0.00 O ATOM 1036 CB LYS A 68 14.184 -8.883 -10.858 1.00 0.00 C ATOM 1037 CG LYS A 68 15.652 -9.121 -10.386 1.00 0.00 C ATOM 1038 CD LYS A 68 16.129 -10.597 -10.440 1.00 0.00 C ATOM 1039 CE LYS A 68 16.294 -11.146 -11.864 1.00 0.00 C ATOM 1040 NZ LYS A 68 16.775 -12.543 -11.862 1.00 0.00 N ATOM 0 H LYS A 68 15.340 -7.037 -12.061 1.00 0.00 H new ATOM 0 HA LYS A 68 14.291 -9.495 -12.935 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.781 -8.035 -10.304 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.591 -9.755 -10.582 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.318 -8.517 -11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.751 -8.760 -9.362 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.081 -10.680 -9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.414 -11.219 -9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.339 -11.091 -12.387 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.996 -10.521 -12.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.874 -12.878 -12.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.698 -12.592 -11.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.093 -13.144 -11.358 1.00 0.00 H new ATOM 1054 N ALA A 69 12.091 -7.084 -12.375 1.00 0.00 N ATOM 1055 CA ALA A 69 10.704 -6.605 -12.504 1.00 0.00 C ATOM 1056 C ALA A 69 10.709 -5.097 -12.797 1.00 0.00 C ATOM 1057 O ALA A 69 11.769 -4.466 -12.810 1.00 0.00 O ATOM 1058 CB ALA A 69 9.909 -6.924 -11.224 1.00 0.00 C ATOM 0 H ALA A 69 12.736 -6.362 -12.053 1.00 0.00 H new ATOM 0 HA ALA A 69 10.216 -7.117 -13.333 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.886 -6.565 -11.332 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.900 -8.002 -11.060 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.378 -6.432 -10.372 1.00 0.00 H new ATOM 1064 N THR A 70 9.525 -4.536 -13.061 1.00 0.00 N ATOM 1065 CA THR A 70 9.340 -3.096 -13.297 1.00 0.00 C ATOM 1066 C THR A 70 8.661 -2.445 -12.075 1.00 0.00 C ATOM 1067 O THR A 70 8.100 -3.152 -11.219 1.00 0.00 O ATOM 1068 CB THR A 70 8.518 -2.866 -14.603 1.00 0.00 C ATOM 1069 OG1 THR A 70 7.312 -3.649 -14.565 1.00 0.00 O ATOM 1070 CG2 THR A 70 9.316 -3.231 -15.874 1.00 0.00 C ATOM 0 H THR A 70 8.659 -5.071 -13.118 1.00 0.00 H new ATOM 0 HA THR A 70 10.313 -2.623 -13.431 1.00 0.00 H new ATOM 0 HB THR A 70 8.283 -1.803 -14.649 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.248 -4.191 -15.379 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.699 -3.053 -16.755 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.214 -2.615 -15.929 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.599 -4.283 -15.836 1.00 0.00 H new ATOM 1078 N THR A 71 8.718 -1.096 -12.012 1.00 0.00 N ATOM 1079 CA THR A 71 8.336 -0.319 -10.811 1.00 0.00 C ATOM 1080 C THR A 71 6.870 -0.559 -10.385 1.00 0.00 C ATOM 1081 O THR A 71 6.614 -0.878 -9.218 1.00 0.00 O ATOM 1082 CB THR A 71 8.563 1.219 -11.020 1.00 0.00 C ATOM 1083 OG1 THR A 71 7.876 1.656 -12.204 1.00 0.00 O ATOM 1084 CG2 THR A 71 10.050 1.596 -11.119 1.00 0.00 C ATOM 0 H THR A 71 9.030 -0.516 -12.791 1.00 0.00 H new ATOM 0 HA THR A 71 8.987 -0.677 -10.013 1.00 0.00 H new ATOM 0 HB THR A 71 8.162 1.721 -10.140 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.019 2.617 -12.329 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.144 2.672 -11.263 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.561 1.307 -10.200 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.502 1.076 -11.964 1.00 0.00 H new ATOM 1092 N GLU A 72 5.935 -0.437 -11.355 1.00 0.00 N ATOM 1093 CA GLU A 72 4.471 -0.475 -11.108 1.00 0.00 C ATOM 1094 C GLU A 72 4.015 -1.682 -10.259 1.00 0.00 C ATOM 1095 O GLU A 72 3.172 -1.533 -9.367 1.00 0.00 O ATOM 1096 CB GLU A 72 3.650 -0.404 -12.444 1.00 0.00 C ATOM 1097 CG GLU A 72 3.798 -1.609 -13.416 1.00 0.00 C ATOM 1098 CD GLU A 72 4.882 -1.454 -14.499 1.00 0.00 C ATOM 1099 OE1 GLU A 72 5.926 -0.836 -14.236 1.00 0.00 O ATOM 1100 OE2 GLU A 72 4.698 -1.960 -15.630 1.00 0.00 O ATOM 0 H GLU A 72 6.174 -0.309 -12.338 1.00 0.00 H new ATOM 0 HA GLU A 72 4.260 0.418 -10.520 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.595 -0.298 -12.191 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.943 0.501 -12.976 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.018 -2.502 -12.830 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.840 -1.778 -13.907 1.00 0.00 H new ATOM 1107 N GLN A 73 4.646 -2.843 -10.509 1.00 0.00 N ATOM 1108 CA GLN A 73 4.314 -4.134 -9.861 1.00 0.00 C ATOM 1109 C GLN A 73 4.368 -4.064 -8.319 1.00 0.00 C ATOM 1110 O GLN A 73 3.709 -4.848 -7.627 1.00 0.00 O ATOM 1111 CB GLN A 73 5.281 -5.234 -10.360 1.00 0.00 C ATOM 1112 CG GLN A 73 5.302 -5.420 -11.890 1.00 0.00 C ATOM 1113 CD GLN A 73 6.272 -6.510 -12.354 1.00 0.00 C ATOM 1114 OE1 GLN A 73 6.499 -7.505 -11.660 1.00 0.00 O ATOM 1115 NE2 GLN A 73 6.854 -6.333 -13.526 1.00 0.00 N ATOM 0 H GLN A 73 5.414 -2.917 -11.177 1.00 0.00 H new ATOM 0 HA GLN A 73 3.287 -4.373 -10.138 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.289 -4.995 -10.022 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.005 -6.181 -9.895 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.297 -5.667 -12.233 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.576 -4.475 -12.360 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.647 -5.500 -14.078 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.511 -7.029 -13.880 1.00 0.00 H new ATOM 1124 N TYR A 74 5.196 -3.148 -7.798 1.00 0.00 N ATOM 1125 CA TYR A 74 5.358 -2.934 -6.350 1.00 0.00 C ATOM 1126 C TYR A 74 4.925 -1.519 -5.934 1.00 0.00 C ATOM 1127 O TYR A 74 4.494 -1.319 -4.800 1.00 0.00 O ATOM 1128 CB TYR A 74 6.845 -3.170 -5.963 1.00 0.00 C ATOM 1129 CG TYR A 74 7.417 -4.480 -6.520 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.877 -5.712 -6.147 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.471 -4.478 -7.438 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.371 -6.893 -6.662 1.00 0.00 C ATOM 1133 CE2 TYR A 74 8.967 -5.656 -7.958 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.415 -6.863 -7.569 1.00 0.00 C ATOM 1135 OH TYR A 74 8.909 -8.044 -8.088 1.00 0.00 O ATOM 0 H TYR A 74 5.775 -2.532 -8.369 1.00 0.00 H new ATOM 0 HA TYR A 74 4.717 -3.641 -5.824 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.445 -2.336 -6.327 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.934 -3.176 -4.877 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.058 -5.741 -5.443 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.905 -3.538 -7.746 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.944 -7.837 -6.358 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.783 -5.636 -8.666 1.00 0.00 H new ATOM 0 HH TYR A 74 8.191 -8.710 -8.125 1.00 0.00 H new ATOM 1145 N PHE A 75 5.027 -0.537 -6.851 1.00 0.00 N ATOM 1146 CA PHE A 75 4.904 0.898 -6.514 1.00 0.00 C ATOM 1147 C PHE A 75 3.612 1.528 -7.095 1.00 0.00 C ATOM 1148 O PHE A 75 3.536 2.740 -7.238 1.00 0.00 O ATOM 1149 CB PHE A 75 6.168 1.654 -7.020 1.00 0.00 C ATOM 1150 CG PHE A 75 7.484 1.233 -6.348 1.00 0.00 C ATOM 1151 CD1 PHE A 75 7.812 1.697 -5.076 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.392 0.380 -6.984 1.00 0.00 C ATOM 1153 CE1 PHE A 75 8.996 1.329 -4.469 1.00 0.00 C ATOM 1154 CE2 PHE A 75 9.580 0.011 -6.372 1.00 0.00 C ATOM 1155 CZ PHE A 75 9.881 0.487 -5.113 1.00 0.00 C ATOM 0 H PHE A 75 5.196 -0.713 -7.841 1.00 0.00 H new ATOM 0 HA PHE A 75 4.832 0.990 -5.430 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.260 1.500 -8.095 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.022 2.723 -6.863 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.130 2.354 -4.557 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.163 0.002 -7.970 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.232 1.702 -3.483 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.268 -0.648 -6.880 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.805 0.202 -4.633 1.00 0.00 H new ATOM 1165 N VAL A 76 2.603 0.698 -7.425 1.00 0.00 N ATOM 1166 CA VAL A 76 1.209 1.173 -7.680 1.00 0.00 C ATOM 1167 C VAL A 76 0.346 0.744 -6.491 1.00 0.00 C ATOM 1168 O VAL A 76 0.517 -0.353 -6.003 1.00 0.00 O ATOM 1169 CB VAL A 76 0.601 0.609 -9.025 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.919 0.872 -9.154 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.322 1.195 -10.245 1.00 0.00 C ATOM 0 H VAL A 76 2.718 -0.311 -7.524 1.00 0.00 H new ATOM 0 HA VAL A 76 1.227 2.257 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 76 0.752 -0.470 -8.992 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.280 0.462 -10.097 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.443 0.394 -8.326 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.106 1.946 -9.129 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.883 0.789 -11.157 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.217 2.280 -10.243 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.379 0.933 -10.204 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.584 1.608 -6.074 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.377 1.448 -4.833 1.00 0.00 C ATOM 1183 C LEU A 77 -2.141 0.106 -4.733 1.00 0.00 C ATOM 1184 O LEU A 77 -2.206 -0.467 -3.646 1.00 0.00 O ATOM 1185 CB LEU A 77 -2.348 2.655 -4.663 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.782 3.889 -3.899 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.508 3.542 -2.423 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.532 4.484 -4.587 1.00 0.00 C ATOM 0 H LEU A 77 -0.817 2.455 -6.592 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.659 1.429 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.666 2.981 -5.653 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.239 2.307 -4.140 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.547 4.665 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.113 4.419 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.436 3.229 -1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.780 2.732 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.176 5.341 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.252 3.728 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.790 4.802 -5.597 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.710 -0.381 -5.852 1.00 0.00 N ATOM 1201 CA LYS A 78 -3.433 -1.689 -5.880 1.00 0.00 C ATOM 1202 C LYS A 78 -2.452 -2.854 -5.608 1.00 0.00 C ATOM 1203 O LYS A 78 -2.759 -3.783 -4.858 1.00 0.00 O ATOM 1204 CB LYS A 78 -4.143 -1.917 -7.258 1.00 0.00 C ATOM 1205 CG LYS A 78 -3.170 -1.926 -8.460 1.00 0.00 C ATOM 1206 CD LYS A 78 -3.808 -2.294 -9.808 1.00 0.00 C ATOM 1207 CE LYS A 78 -2.755 -2.351 -10.935 1.00 0.00 C ATOM 1208 NZ LYS A 78 -3.346 -2.749 -12.230 1.00 0.00 N ATOM 0 H LYS A 78 -2.689 0.101 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.192 -1.662 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.680 -2.865 -7.228 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.886 -1.134 -7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.715 -0.939 -8.548 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.365 -2.631 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.306 -3.260 -9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.574 -1.561 -10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.282 -1.374 -11.038 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.971 -3.058 -10.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.603 -2.774 -12.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.775 -3.692 -12.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.076 -2.061 -12.504 1.00 0.00 H new ATOM 1222 N ASN A 79 -1.259 -2.741 -6.213 1.00 0.00 N ATOM 1223 CA ASN A 79 -0.223 -3.786 -6.223 1.00 0.00 C ATOM 1224 C ASN A 79 0.506 -3.823 -4.883 1.00 0.00 C ATOM 1225 O ASN A 79 0.719 -4.889 -4.315 1.00 0.00 O ATOM 1226 CB ASN A 79 0.776 -3.495 -7.375 1.00 0.00 C ATOM 1227 CG ASN A 79 0.157 -3.630 -8.767 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.736 -4.444 -8.989 1.00 0.00 O ATOM 1229 ND2 ASN A 79 0.615 -2.830 -9.715 1.00 0.00 N ATOM 0 H ASN A 79 -0.982 -1.901 -6.721 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.688 -4.759 -6.382 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.170 -2.486 -7.257 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.621 -4.179 -7.294 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.226 -2.880 -10.657 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.357 -2.163 -9.505 1.00 0.00 H new ATOM 1236 N LEU A 80 0.862 -2.624 -4.410 1.00 0.00 N ATOM 1237 CA LEU A 80 1.502 -2.384 -3.117 1.00 0.00 C ATOM 1238 C LEU A 80 0.606 -2.907 -1.990 1.00 0.00 C ATOM 1239 O LEU A 80 1.039 -3.725 -1.197 1.00 0.00 O ATOM 1240 CB LEU A 80 1.766 -0.861 -2.940 1.00 0.00 C ATOM 1241 CG LEU A 80 2.472 -0.419 -1.621 1.00 0.00 C ATOM 1242 CD1 LEU A 80 3.900 -1.007 -1.501 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.467 1.120 -1.482 1.00 0.00 C ATOM 0 H LEU A 80 0.706 -1.765 -4.937 1.00 0.00 H new ATOM 0 HA LEU A 80 2.454 -2.913 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.372 -0.521 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.810 -0.341 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 80 1.900 -0.828 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.354 -0.673 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.847 -2.096 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.505 -0.666 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.965 1.403 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.994 1.563 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.438 1.481 -1.466 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.671 -2.463 -1.982 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.670 -2.884 -0.970 1.00 0.00 C ATOM 1257 C ALA A 81 -1.976 -4.387 -1.067 1.00 0.00 C ATOM 1258 O ALA A 81 -2.360 -4.999 -0.079 1.00 0.00 O ATOM 1259 CB ALA A 81 -2.961 -2.064 -1.095 1.00 0.00 C ATOM 0 H ALA A 81 -1.038 -1.807 -2.672 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.235 -2.695 0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.676 -2.394 -0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.737 -1.008 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.388 -2.207 -2.087 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.802 -4.965 -2.268 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.916 -6.419 -2.485 1.00 0.00 C ATOM 1267 C ALA A 82 -0.755 -7.155 -1.798 1.00 0.00 C ATOM 1268 O ALA A 82 -0.980 -8.152 -1.107 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.952 -6.751 -3.981 1.00 0.00 C ATOM 0 H ALA A 82 -1.579 -4.440 -3.114 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.854 -6.756 -2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.036 -7.830 -4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.810 -6.261 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.035 -6.398 -4.454 1.00 0.00 H new ATOM 1275 N ARG A 83 0.487 -6.630 -1.979 1.00 0.00 N ATOM 1276 CA ARG A 83 1.700 -7.183 -1.335 1.00 0.00 C ATOM 1277 C ARG A 83 1.537 -7.159 0.187 1.00 0.00 C ATOM 1278 O ARG A 83 1.702 -8.172 0.855 1.00 0.00 O ATOM 1279 CB ARG A 83 2.982 -6.382 -1.717 1.00 0.00 C ATOM 1280 CG ARG A 83 3.318 -6.255 -3.232 1.00 0.00 C ATOM 1281 CD ARG A 83 3.295 -7.598 -4.003 1.00 0.00 C ATOM 1282 NE ARG A 83 1.938 -7.970 -4.458 1.00 0.00 N ATOM 1283 CZ ARG A 83 1.306 -9.126 -4.200 1.00 0.00 C ATOM 1284 NH1 ARG A 83 1.814 -10.023 -3.363 1.00 0.00 N ATOM 1285 NH2 ARG A 83 0.128 -9.349 -4.741 1.00 0.00 N ATOM 0 H ARG A 83 0.670 -5.819 -2.570 1.00 0.00 H new ATOM 0 HA ARG A 83 1.817 -8.206 -1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.887 -5.377 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.832 -6.849 -1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.606 -5.571 -3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.305 -5.806 -3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.957 -7.528 -4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.688 -8.387 -3.362 1.00 0.00 H new ATOM 0 HE ARG A 83 1.435 -7.284 -5.021 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.704 -9.841 -2.899 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.314 -10.894 -3.184 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.295 -8.648 -5.349 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.362 -10.223 -4.553 1.00 0.00 H new ATOM 1299 N ILE A 84 1.133 -5.986 0.682 1.00 0.00 N ATOM 1300 CA ILE A 84 0.967 -5.696 2.109 1.00 0.00 C ATOM 1301 C ILE A 84 -0.090 -6.620 2.728 1.00 0.00 C ATOM 1302 O ILE A 84 0.192 -7.319 3.691 1.00 0.00 O ATOM 1303 CB ILE A 84 0.560 -4.186 2.288 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.709 -3.260 1.778 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.172 -3.843 3.747 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.324 -1.815 1.562 1.00 0.00 C ATOM 0 H ILE A 84 0.906 -5.190 0.085 1.00 0.00 H new ATOM 0 HA ILE A 84 1.910 -5.876 2.625 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.332 -4.013 1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.529 -3.297 2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.088 -3.662 0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.100 -2.789 3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.676 -4.456 4.052 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.018 -4.041 4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.191 -1.257 1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.528 -1.758 0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.976 -1.387 2.502 1.00 0.00 H new ATOM 1318 N ASP A 85 -1.283 -6.650 2.106 1.00 0.00 N ATOM 1319 CA ASP A 85 -2.441 -7.444 2.584 1.00 0.00 C ATOM 1320 C ASP A 85 -2.094 -8.940 2.692 1.00 0.00 C ATOM 1321 O ASP A 85 -2.438 -9.589 3.678 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.645 -7.264 1.632 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.904 -8.042 2.065 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -5.633 -7.557 2.954 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -5.182 -9.132 1.511 1.00 0.00 O ATOM 0 H ASP A 85 -1.476 -6.124 1.254 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.701 -7.078 3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.889 -6.204 1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.356 -7.587 0.632 1.00 0.00 H new ATOM 1330 N GLU A 86 -1.407 -9.459 1.657 1.00 0.00 N ATOM 1331 CA GLU A 86 -1.012 -10.876 1.589 1.00 0.00 C ATOM 1332 C GLU A 86 0.106 -11.197 2.596 1.00 0.00 C ATOM 1333 O GLU A 86 0.184 -12.329 3.065 1.00 0.00 O ATOM 1334 CB GLU A 86 -0.597 -11.289 0.152 1.00 0.00 C ATOM 1335 CG GLU A 86 -1.743 -11.249 -0.878 1.00 0.00 C ATOM 1336 CD GLU A 86 -1.439 -12.052 -2.154 1.00 0.00 C ATOM 1337 OE1 GLU A 86 -0.636 -11.587 -2.991 1.00 0.00 O ATOM 1338 OE2 GLU A 86 -2.000 -13.159 -2.324 1.00 0.00 O ATOM 0 H GLU A 86 -1.112 -8.910 0.849 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.888 -11.464 1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.202 -10.629 -0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.186 -12.298 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.650 -11.640 -0.418 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.944 -10.212 -1.148 1.00 0.00 H new ATOM 1345 N LEU A 87 0.973 -10.215 2.912 1.00 0.00 N ATOM 1346 CA LEU A 87 1.977 -10.367 3.992 1.00 0.00 C ATOM 1347 C LEU A 87 1.288 -10.419 5.368 1.00 0.00 C ATOM 1348 O LEU A 87 1.632 -11.261 6.207 1.00 0.00 O ATOM 1349 CB LEU A 87 3.041 -9.229 3.958 1.00 0.00 C ATOM 1350 CG LEU A 87 3.986 -9.215 2.717 1.00 0.00 C ATOM 1351 CD1 LEU A 87 4.993 -8.045 2.784 1.00 0.00 C ATOM 1352 CD2 LEU A 87 4.698 -10.572 2.538 1.00 0.00 C ATOM 0 H LEU A 87 1.001 -9.311 2.440 1.00 0.00 H new ATOM 0 HA LEU A 87 2.498 -11.309 3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.522 -8.272 4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.654 -9.305 4.856 1.00 0.00 H new ATOM 0 HG LEU A 87 3.367 -9.055 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.635 -8.067 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.451 -7.100 2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.604 -8.142 3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.349 -10.529 1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.294 -10.790 3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.955 -11.357 2.398 1.00 0.00 H new ATOM 1364 N VAL A 88 0.273 -9.551 5.568 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.494 -9.488 6.834 1.00 0.00 C ATOM 1366 C VAL A 88 -1.356 -10.765 6.976 1.00 0.00 C ATOM 1367 O VAL A 88 -1.599 -11.244 8.080 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.403 -8.192 6.930 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.096 -8.081 8.309 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -0.598 -6.905 6.653 1.00 0.00 C ATOM 0 H VAL A 88 -0.037 -8.880 4.865 1.00 0.00 H new ATOM 0 HA VAL A 88 0.222 -9.429 7.654 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.168 -8.297 6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.710 -7.181 8.336 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.727 -8.955 8.471 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.340 -8.029 9.093 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.257 -6.040 6.729 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.205 -6.814 7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.173 -6.951 5.650 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.778 -11.313 5.825 1.00 0.00 N ATOM 1381 CA ALA A 89 -2.557 -12.561 5.750 1.00 0.00 C ATOM 1382 C ALA A 89 -1.661 -13.799 5.963 1.00 0.00 C ATOM 1383 O ALA A 89 -2.098 -14.788 6.565 1.00 0.00 O ATOM 1384 CB ALA A 89 -3.288 -12.646 4.402 1.00 0.00 C ATOM 0 H ALA A 89 -1.587 -10.899 4.912 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.295 -12.549 6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.861 -13.572 4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.963 -11.796 4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.559 -12.630 3.591 1.00 0.00 H new ATOM 1390 N ALA A 90 -0.411 -13.734 5.452 1.00 0.00 N ATOM 1391 CA ALA A 90 0.584 -14.821 5.573 1.00 0.00 C ATOM 1392 C ALA A 90 0.999 -15.013 7.032 1.00 0.00 C ATOM 1393 O ALA A 90 1.192 -16.147 7.494 1.00 0.00 O ATOM 1394 CB ALA A 90 1.807 -14.528 4.692 1.00 0.00 C ATOM 0 H ALA A 90 -0.063 -12.922 4.942 1.00 0.00 H new ATOM 0 HA ALA A 90 0.127 -15.748 5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.530 -15.337 4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.495 -14.448 3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.266 -13.591 5.007 1.00 0.00 H new ATOM 1400 N LYS A 91 1.103 -13.884 7.763 1.00 0.00 N ATOM 1401 CA LYS A 91 1.388 -13.901 9.209 1.00 0.00 C ATOM 1402 C LYS A 91 0.066 -14.071 9.981 1.00 0.00 C ATOM 1403 O LYS A 91 0.065 -14.509 11.129 1.00 0.00 O ATOM 1404 CB LYS A 91 2.110 -12.601 9.669 1.00 0.00 C ATOM 1405 CG LYS A 91 1.221 -11.331 9.693 1.00 0.00 C ATOM 1406 CD LYS A 91 1.787 -10.194 10.570 1.00 0.00 C ATOM 1407 CE LYS A 91 0.838 -8.995 10.653 1.00 0.00 C ATOM 1408 NZ LYS A 91 1.326 -7.977 11.603 1.00 0.00 N ATOM 0 H LYS A 91 0.993 -12.948 7.373 1.00 0.00 H new ATOM 0 HA LYS A 91 2.055 -14.737 9.418 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.514 -12.762 10.668 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.957 -12.421 9.008 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.098 -10.965 8.674 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.229 -11.599 10.057 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.978 -10.573 11.574 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.745 -9.869 10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.729 -8.548 9.665 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.151 -9.335 10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.023 -7.034 11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.935 -8.168 12.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.365 -8.011 11.645 1.00 0.00 H new