USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 381 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.162 K(o=-0.16,f=-2.2!) USER MOD Single : A 8 THR OG1 : rot -30:sc= 0.259! USER MOD Single : A 9 SER OG : rot 75:sc= 1.01 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00327 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.473 K(o=-0.47,f=-3.4!) USER MOD Single : A 18 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.5!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.841 K(o=0.84,f=-0.55) USER MOD Single : B 1 PHE N :NH3+ -152:sc= 0.873 (180deg=0.171!) USER MOD Single : B 3 ASN : amide:sc= -0.0734 X(o=-0.073,f=-0.24) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.622 K(o=-0.62,f=-1.2!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= -0.307 USER MOD Single : B 26 TYR OH : rot 102:sc= 0.939 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.949 12.166 -2.708 1.00 0.00 N ATOM 2 CA GLY A 1 12.673 12.857 -2.228 1.00 0.00 C ATOM 3 C GLY A 1 12.114 12.512 -0.889 1.00 0.00 C ATOM 4 O GLY A 1 12.788 11.950 -0.051 1.00 0.00 O ATOM 0 H1 GLY A 1 14.200 12.519 -3.654 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.724 12.370 -2.045 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.792 11.139 -2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.859 13.931 -2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.897 12.661 -2.967 1.00 0.00 H new ATOM 10 N ILE A 2 10.872 12.837 -0.653 1.00 0.00 N ATOM 11 CA ILE A 2 10.257 12.518 0.667 1.00 0.00 C ATOM 12 C ILE A 2 9.268 11.362 0.503 1.00 0.00 C ATOM 13 O ILE A 2 8.609 11.234 -0.510 1.00 0.00 O ATOM 14 CB ILE A 2 9.517 13.749 1.195 1.00 0.00 C ATOM 15 CG1 ILE A 2 10.486 14.932 1.272 1.00 0.00 C ATOM 16 CG2 ILE A 2 8.966 13.453 2.592 1.00 0.00 C ATOM 17 CD1 ILE A 2 11.774 14.494 1.971 1.00 0.00 C ATOM 0 H ILE A 2 10.257 13.309 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 2 11.038 12.232 1.372 1.00 0.00 H new ATOM 0 HB ILE A 2 8.694 13.994 0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 2 10.710 15.298 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 2 10.027 15.757 1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.439 14.330 2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.277 12.610 2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 2 9.789 13.208 3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 2 12.463 15.337 2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 2 11.542 14.149 2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 2 12.236 13.683 1.408 1.00 0.00 H new ATOM 29 N VAL A 3 9.158 10.519 1.493 1.00 0.00 N ATOM 30 CA VAL A 3 8.216 9.375 1.398 1.00 0.00 C ATOM 31 C VAL A 3 6.778 9.882 1.531 1.00 0.00 C ATOM 32 O VAL A 3 6.467 10.672 2.402 1.00 0.00 O ATOM 33 CB VAL A 3 8.512 8.383 2.521 1.00 0.00 C ATOM 34 CG1 VAL A 3 9.716 7.520 2.141 1.00 0.00 C ATOM 35 CG2 VAL A 3 8.818 9.143 3.812 1.00 0.00 C ATOM 0 H VAL A 3 9.683 10.576 2.366 1.00 0.00 H new ATOM 0 HA VAL A 3 8.337 8.883 0.433 1.00 0.00 H new ATOM 0 HB VAL A 3 7.642 7.745 2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.925 6.813 2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.497 6.973 1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.586 8.158 1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.029 8.432 4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 3 9.685 9.785 3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.958 9.754 4.087 1.00 0.00 H new ATOM 45 N GLU A 4 5.899 9.434 0.678 1.00 0.00 N ATOM 46 CA GLU A 4 4.495 9.875 0.744 1.00 0.00 C ATOM 47 C GLU A 4 3.610 8.637 0.803 1.00 0.00 C ATOM 48 O GLU A 4 3.810 7.747 1.605 1.00 0.00 O ATOM 49 CB GLU A 4 4.187 10.713 -0.502 1.00 0.00 C ATOM 50 CG GLU A 4 5.293 11.751 -0.705 1.00 0.00 C ATOM 51 CD GLU A 4 5.040 12.520 -2.003 1.00 0.00 C ATOM 52 OE1 GLU A 4 4.994 11.886 -3.045 1.00 0.00 O ATOM 53 OE2 GLU A 4 4.900 13.730 -1.934 1.00 0.00 O ATOM 0 H GLU A 4 6.106 8.772 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 4 4.310 10.485 1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.113 10.068 -1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.223 11.210 -0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.319 12.440 0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 4 6.265 11.259 -0.745 1.00 0.00 H new ATOM 60 N GLN A 5 2.647 8.582 -0.039 1.00 0.00 N ATOM 61 CA GLN A 5 1.727 7.416 -0.064 1.00 0.00 C ATOM 62 C GLN A 5 2.542 6.134 -0.252 1.00 0.00 C ATOM 63 O GLN A 5 2.994 5.530 0.700 1.00 0.00 O ATOM 64 CB GLN A 5 0.737 7.570 -1.221 1.00 0.00 C ATOM 65 CG GLN A 5 -0.602 8.079 -0.681 1.00 0.00 C ATOM 66 CD GLN A 5 -1.741 7.549 -1.554 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.505 6.962 -2.590 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.977 7.735 -1.175 1.00 0.00 N ATOM 0 H GLN A 5 2.443 9.304 -0.730 1.00 0.00 H new ATOM 0 HA GLN A 5 1.177 7.364 0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.131 8.266 -1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.598 6.614 -1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.738 7.752 0.350 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.612 9.169 -0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.175 8.228 -0.304 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.745 7.387 -1.750 1.00 0.00 H new ATOM 77 N CYS A 6 2.736 5.720 -1.474 1.00 0.00 N ATOM 78 CA CYS A 6 3.526 4.483 -1.731 1.00 0.00 C ATOM 79 C CYS A 6 3.231 3.980 -3.141 1.00 0.00 C ATOM 80 O CYS A 6 2.211 3.371 -3.392 1.00 0.00 O ATOM 81 CB CYS A 6 3.144 3.401 -0.720 1.00 0.00 C ATOM 82 SG CYS A 6 4.494 3.179 0.466 1.00 0.00 S ATOM 0 H CYS A 6 2.380 6.187 -2.308 1.00 0.00 H new ATOM 0 HA CYS A 6 4.588 4.709 -1.632 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.230 3.683 -0.198 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.940 2.462 -1.235 1.00 0.00 H new ATOM 87 N CYS A 7 4.119 4.230 -4.059 1.00 0.00 N ATOM 88 CA CYS A 7 3.893 3.773 -5.456 1.00 0.00 C ATOM 89 C CYS A 7 5.229 3.718 -6.201 1.00 0.00 C ATOM 90 O CYS A 7 5.458 2.849 -7.019 1.00 0.00 O ATOM 91 CB CYS A 7 2.958 4.758 -6.157 1.00 0.00 C ATOM 92 SG CYS A 7 1.240 4.375 -5.732 1.00 0.00 S ATOM 0 H CYS A 7 4.993 4.732 -3.902 1.00 0.00 H new ATOM 0 HA CYS A 7 3.445 2.779 -5.450 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.198 5.778 -5.858 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.097 4.701 -7.237 1.00 0.00 H new ATOM 97 N THR A 8 6.115 4.635 -5.923 1.00 0.00 N ATOM 98 CA THR A 8 7.428 4.632 -6.609 1.00 0.00 C ATOM 99 C THR A 8 8.455 5.368 -5.746 1.00 0.00 C ATOM 100 O THR A 8 8.537 6.581 -5.759 1.00 0.00 O ATOM 101 CB THR A 8 7.301 5.326 -7.967 1.00 0.00 C ATOM 102 OG1 THR A 8 6.143 4.845 -8.634 1.00 0.00 O ATOM 103 CG2 THR A 8 8.542 5.027 -8.810 1.00 0.00 C ATOM 0 H THR A 8 5.981 5.387 -5.247 1.00 0.00 H new ATOM 0 HA THR A 8 7.755 3.604 -6.762 1.00 0.00 H new ATOM 0 HB THR A 8 7.215 6.403 -7.822 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.967 3.921 -8.359 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.452 5.521 -9.777 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.429 5.396 -8.295 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.630 3.951 -8.959 1.00 0.00 H new ATOM 111 N SER A 9 9.242 4.644 -4.997 1.00 0.00 N ATOM 112 CA SER A 9 10.264 5.299 -4.137 1.00 0.00 C ATOM 113 C SER A 9 10.760 4.305 -3.085 1.00 0.00 C ATOM 114 O SER A 9 11.834 3.748 -3.203 1.00 0.00 O ATOM 115 CB SER A 9 9.646 6.512 -3.440 1.00 0.00 C ATOM 116 OG SER A 9 9.938 7.684 -4.189 1.00 0.00 O ATOM 0 H SER A 9 9.220 3.626 -4.945 1.00 0.00 H new ATOM 0 HA SER A 9 11.102 5.623 -4.754 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.567 6.384 -3.350 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.041 6.605 -2.429 1.00 0.00 H new ATOM 0 HG SER A 9 9.376 7.708 -4.991 1.00 0.00 H new ATOM 122 N ILE A 10 9.986 4.072 -2.059 1.00 0.00 N ATOM 123 CA ILE A 10 10.410 3.118 -1.008 1.00 0.00 C ATOM 124 C ILE A 10 9.177 2.577 -0.277 1.00 0.00 C ATOM 125 O ILE A 10 8.556 3.267 0.507 1.00 0.00 O ATOM 126 CB ILE A 10 11.328 3.825 -0.006 1.00 0.00 C ATOM 127 CG1 ILE A 10 12.695 4.077 -0.649 1.00 0.00 C ATOM 128 CG2 ILE A 10 11.507 2.950 1.235 1.00 0.00 C ATOM 129 CD1 ILE A 10 13.307 2.745 -1.089 1.00 0.00 C ATOM 0 H ILE A 10 9.075 4.506 -1.908 1.00 0.00 H new ATOM 0 HA ILE A 10 10.950 2.292 -1.471 1.00 0.00 H new ATOM 0 HB ILE A 10 10.879 4.776 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.588 4.741 -1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.356 4.576 0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.161 3.456 1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.536 2.772 1.698 1.00 0.00 H new ATOM 0 HG23 ILE A 10 11.952 1.997 0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.280 2.925 -1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.428 2.096 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.649 2.264 -1.813 1.00 0.00 H new ATOM 141 N CYS A 11 8.823 1.346 -0.525 1.00 0.00 N ATOM 142 CA CYS A 11 7.635 0.757 0.158 1.00 0.00 C ATOM 143 C CYS A 11 7.810 -0.762 0.251 1.00 0.00 C ATOM 144 O CYS A 11 7.289 -1.507 -0.555 1.00 0.00 O ATOM 145 CB CYS A 11 6.370 1.079 -0.642 1.00 0.00 C ATOM 146 SG CYS A 11 6.123 2.872 -0.688 1.00 0.00 S ATOM 0 H CYS A 11 9.305 0.722 -1.172 1.00 0.00 H new ATOM 0 HA CYS A 11 7.543 1.178 1.159 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.459 0.688 -1.655 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.506 0.594 -0.187 1.00 0.00 H new ATOM 151 N SER A 12 8.545 -1.225 1.226 1.00 0.00 N ATOM 152 CA SER A 12 8.756 -2.694 1.368 1.00 0.00 C ATOM 153 C SER A 12 7.858 -3.238 2.480 1.00 0.00 C ATOM 154 O SER A 12 6.992 -2.551 2.983 1.00 0.00 O ATOM 155 CB SER A 12 10.220 -2.965 1.718 1.00 0.00 C ATOM 156 OG SER A 12 10.984 -1.790 1.484 1.00 0.00 O ATOM 0 H SER A 12 9.008 -0.650 1.930 1.00 0.00 H new ATOM 0 HA SER A 12 8.507 -3.188 0.429 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.306 -3.267 2.762 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.604 -3.788 1.115 1.00 0.00 H new ATOM 0 HG SER A 12 11.923 -1.960 1.709 1.00 0.00 H new ATOM 162 N LEU A 13 8.060 -4.470 2.866 1.00 0.00 N ATOM 163 CA LEU A 13 7.219 -5.064 3.945 1.00 0.00 C ATOM 164 C LEU A 13 7.030 -4.042 5.068 1.00 0.00 C ATOM 165 O LEU A 13 5.962 -3.921 5.635 1.00 0.00 O ATOM 166 CB LEU A 13 7.910 -6.310 4.502 1.00 0.00 C ATOM 167 CG LEU A 13 7.373 -7.553 3.790 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.017 -7.665 2.407 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.712 -8.799 4.611 1.00 0.00 C ATOM 0 H LEU A 13 8.772 -5.091 2.480 1.00 0.00 H new ATOM 0 HA LEU A 13 6.246 -5.338 3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.988 -6.235 4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.734 -6.388 5.575 1.00 0.00 H new ATOM 0 HG LEU A 13 6.291 -7.471 3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.635 -8.550 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.777 -6.778 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.099 -7.747 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.329 -9.684 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.794 -8.881 4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.255 -8.720 5.597 1.00 0.00 H new ATOM 181 N TYR A 14 8.060 -3.309 5.396 1.00 0.00 N ATOM 182 CA TYR A 14 7.942 -2.298 6.483 1.00 0.00 C ATOM 183 C TYR A 14 6.619 -1.545 6.336 1.00 0.00 C ATOM 184 O TYR A 14 5.830 -1.473 7.257 1.00 0.00 O ATOM 185 CB TYR A 14 9.106 -1.310 6.389 1.00 0.00 C ATOM 186 CG TYR A 14 10.403 -2.037 6.656 1.00 0.00 C ATOM 187 CD1 TYR A 14 10.714 -2.463 7.953 1.00 0.00 C ATOM 188 CD2 TYR A 14 11.294 -2.286 5.604 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.917 -3.138 8.200 1.00 0.00 C ATOM 190 CE2 TYR A 14 12.498 -2.962 5.850 1.00 0.00 C ATOM 191 CZ TYR A 14 12.809 -3.388 7.148 1.00 0.00 C ATOM 192 OH TYR A 14 13.993 -4.054 7.391 1.00 0.00 O ATOM 0 H TYR A 14 8.979 -3.368 4.957 1.00 0.00 H new ATOM 0 HA TYR A 14 7.969 -2.799 7.451 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.130 -0.852 5.400 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.973 -0.504 7.111 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.026 -2.271 8.763 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.054 -1.957 4.604 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.157 -3.466 9.201 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.185 -3.154 5.039 1.00 0.00 H new ATOM 0 HH TYR A 14 14.494 -4.146 6.554 1.00 0.00 H new ATOM 202 N GLN A 15 6.368 -0.986 5.184 1.00 0.00 N ATOM 203 CA GLN A 15 5.093 -0.242 4.980 1.00 0.00 C ATOM 204 C GLN A 15 4.073 -1.162 4.318 1.00 0.00 C ATOM 205 O GLN A 15 2.879 -0.966 4.434 1.00 0.00 O ATOM 206 CB GLN A 15 5.344 0.973 4.085 1.00 0.00 C ATOM 207 CG GLN A 15 4.458 2.135 4.538 1.00 0.00 C ATOM 208 CD GLN A 15 5.321 3.203 5.210 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.514 3.031 5.360 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.764 4.308 5.625 1.00 0.00 N ATOM 0 H GLN A 15 6.990 -1.012 4.376 1.00 0.00 H new ATOM 0 HA GLN A 15 4.710 0.095 5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.394 1.262 4.133 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.130 0.723 3.046 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.934 2.561 3.683 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.698 1.777 5.232 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.762 4.453 5.499 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.331 5.027 6.075 1.00 0.00 H new ATOM 219 N LEU A 16 4.530 -2.171 3.636 1.00 0.00 N ATOM 220 CA LEU A 16 3.578 -3.107 2.982 1.00 0.00 C ATOM 221 C LEU A 16 3.050 -4.084 4.035 1.00 0.00 C ATOM 222 O LEU A 16 2.443 -3.675 5.005 1.00 0.00 O ATOM 223 CB LEU A 16 4.279 -3.866 1.858 1.00 0.00 C ATOM 224 CG LEU A 16 4.542 -2.950 0.644 1.00 0.00 C ATOM 225 CD1 LEU A 16 3.899 -3.573 -0.591 1.00 0.00 C ATOM 226 CD2 LEU A 16 3.957 -1.542 0.846 1.00 0.00 C ATOM 0 H LEU A 16 5.518 -2.388 3.503 1.00 0.00 H new ATOM 0 HA LEU A 16 2.747 -2.550 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.223 -4.270 2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.666 -4.714 1.551 1.00 0.00 H new ATOM 0 HG LEU A 16 5.621 -2.854 0.524 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.078 -2.934 -1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.333 -4.557 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.826 -3.674 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.166 -0.932 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.879 -1.613 0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.411 -1.082 1.724 1.00 0.00 H new ATOM 238 N GLU A 17 3.263 -5.369 3.866 1.00 0.00 N ATOM 239 CA GLU A 17 2.752 -6.337 4.875 1.00 0.00 C ATOM 240 C GLU A 17 1.324 -5.943 5.227 1.00 0.00 C ATOM 241 O GLU A 17 0.843 -6.190 6.314 1.00 0.00 O ATOM 242 CB GLU A 17 3.628 -6.284 6.128 1.00 0.00 C ATOM 243 CG GLU A 17 3.428 -7.561 6.946 1.00 0.00 C ATOM 244 CD GLU A 17 3.650 -7.257 8.429 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.513 -6.105 8.805 1.00 0.00 O ATOM 246 OE2 GLU A 17 3.955 -8.183 9.164 1.00 0.00 O ATOM 0 H GLU A 17 3.764 -5.781 3.079 1.00 0.00 H new ATOM 0 HA GLU A 17 2.776 -7.351 4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.676 -6.180 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.370 -5.411 6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.422 -7.951 6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.124 -8.331 6.614 1.00 0.00 H new ATOM 253 N ASN A 18 0.651 -5.313 4.306 1.00 0.00 N ATOM 254 CA ASN A 18 -0.738 -4.879 4.566 1.00 0.00 C ATOM 255 C ASN A 18 -1.367 -4.363 3.270 1.00 0.00 C ATOM 256 O ASN A 18 -2.149 -3.433 3.275 1.00 0.00 O ATOM 257 CB ASN A 18 -0.734 -3.766 5.617 1.00 0.00 C ATOM 258 CG ASN A 18 -2.085 -3.733 6.333 1.00 0.00 C ATOM 259 OD1 ASN A 18 -2.942 -4.556 6.079 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.314 -2.807 7.224 1.00 0.00 N ATOM 0 H ASN A 18 1.011 -5.081 3.380 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.320 -5.724 4.935 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.067 -3.935 6.337 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.539 -2.804 5.142 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.212 -2.775 7.707 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.595 -2.116 7.438 1.00 0.00 H new ATOM 267 N TYR A 19 -1.033 -4.960 2.159 1.00 0.00 N ATOM 268 CA TYR A 19 -1.606 -4.508 0.870 1.00 0.00 C ATOM 269 C TYR A 19 -2.523 -5.594 0.305 1.00 0.00 C ATOM 270 O TYR A 19 -3.295 -5.357 -0.603 1.00 0.00 O ATOM 271 CB TYR A 19 -0.477 -4.225 -0.121 1.00 0.00 C ATOM 272 CG TYR A 19 -0.372 -2.737 -0.355 1.00 0.00 C ATOM 273 CD1 TYR A 19 0.378 -1.941 0.521 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.025 -2.152 -1.448 1.00 0.00 C ATOM 275 CE1 TYR A 19 0.476 -0.560 0.304 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.927 -0.771 -1.665 1.00 0.00 C ATOM 277 CZ TYR A 19 -0.177 0.024 -0.790 1.00 0.00 C ATOM 278 OH TYR A 19 -0.081 1.384 -1.004 1.00 0.00 O ATOM 0 H TYR A 19 -0.385 -5.745 2.093 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.183 -3.597 1.032 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.466 -4.610 0.267 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.668 -4.739 -1.063 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.881 -2.392 1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.604 -2.765 -2.123 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.054 0.054 0.979 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.430 -0.320 -2.507 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.591 1.626 -1.805 1.00 0.00 H new ATOM 288 N CYS A 20 -2.445 -6.785 0.832 1.00 0.00 N ATOM 289 CA CYS A 20 -3.313 -7.884 0.320 1.00 0.00 C ATOM 290 C CYS A 20 -4.077 -8.517 1.485 1.00 0.00 C ATOM 291 O CYS A 20 -4.026 -9.713 1.695 1.00 0.00 O ATOM 292 CB CYS A 20 -2.444 -8.945 -0.358 1.00 0.00 C ATOM 293 SG CYS A 20 -1.701 -8.250 -1.855 1.00 0.00 S ATOM 0 H CYS A 20 -1.819 -7.045 1.594 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.023 -7.480 -0.402 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.664 -9.282 0.325 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -3.047 -9.818 -0.610 1.00 0.00 H new ATOM 298 N ASN A 21 -4.784 -7.725 2.243 1.00 0.00 N ATOM 299 CA ASN A 21 -5.550 -8.284 3.392 1.00 0.00 C ATOM 300 C ASN A 21 -6.526 -7.227 3.917 1.00 0.00 C ATOM 301 O ASN A 21 -7.722 -7.275 3.630 1.00 0.00 O ATOM 302 CB ASN A 21 -4.579 -8.679 4.508 1.00 0.00 C ATOM 303 CG ASN A 21 -4.717 -10.175 4.798 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.856 -10.575 5.938 1.00 0.00 O ATOM 305 ND2 ASN A 21 -4.683 -11.026 3.809 1.00 0.00 N ATOM 0 H ASN A 21 -4.864 -6.716 2.117 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.106 -9.163 3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.556 -8.448 4.213 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.789 -8.102 5.409 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.773 -12.025 3.993 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.566 -10.692 2.852 1.00 0.00 H new TER 312 ASN A 21 ATOM 313 N PHE B 1 5.087 16.112 -20.009 1.00 0.00 N ATOM 314 CA PHE B 1 4.048 15.281 -19.338 1.00 0.00 C ATOM 315 C PHE B 1 3.531 16.014 -18.099 1.00 0.00 C ATOM 316 O PHE B 1 3.855 17.162 -17.864 1.00 0.00 O ATOM 317 CB PHE B 1 4.658 13.943 -18.917 1.00 0.00 C ATOM 318 CG PHE B 1 5.968 14.185 -18.207 1.00 0.00 C ATOM 319 CD1 PHE B 1 7.112 14.520 -18.942 1.00 0.00 C ATOM 320 CD2 PHE B 1 6.039 14.077 -16.811 1.00 0.00 C ATOM 321 CE1 PHE B 1 8.328 14.746 -18.284 1.00 0.00 C ATOM 322 CE2 PHE B 1 7.255 14.303 -16.151 1.00 0.00 C ATOM 323 CZ PHE B 1 8.399 14.637 -16.888 1.00 0.00 C ATOM 0 H1 PHE B 1 5.100 15.897 -21.026 1.00 0.00 H new ATOM 0 H2 PHE B 1 4.868 17.119 -19.871 1.00 0.00 H new ATOM 0 H3 PHE B 1 6.019 15.901 -19.598 1.00 0.00 H new ATOM 0 HA PHE B 1 3.223 15.105 -20.029 1.00 0.00 H new ATOM 0 HB2 PHE B 1 3.971 13.409 -18.261 1.00 0.00 H new ATOM 0 HB3 PHE B 1 4.818 13.313 -19.792 1.00 0.00 H new ATOM 0 HD1 PHE B 1 7.057 14.604 -20.017 1.00 0.00 H new ATOM 0 HD2 PHE B 1 5.157 13.820 -16.244 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.210 15.004 -18.852 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.310 14.220 -15.076 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.336 14.811 -16.380 1.00 0.00 H new ATOM 333 N VAL B 2 2.728 15.361 -17.305 1.00 0.00 N ATOM 334 CA VAL B 2 2.191 16.020 -16.082 1.00 0.00 C ATOM 335 C VAL B 2 3.218 15.912 -14.954 1.00 0.00 C ATOM 336 O VAL B 2 4.318 15.434 -15.145 1.00 0.00 O ATOM 337 CB VAL B 2 0.893 15.332 -15.658 1.00 0.00 C ATOM 338 CG1 VAL B 2 -0.223 15.696 -16.639 1.00 0.00 C ATOM 339 CG2 VAL B 2 1.097 13.815 -15.659 1.00 0.00 C ATOM 0 H VAL B 2 2.421 14.399 -17.451 1.00 0.00 H new ATOM 0 HA VAL B 2 1.991 17.070 -16.293 1.00 0.00 H new ATOM 0 HB VAL B 2 0.618 15.662 -14.656 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -1.148 15.205 -16.336 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -0.369 16.776 -16.640 1.00 0.00 H new ATOM 0 HG13 VAL B 2 0.051 15.366 -17.641 1.00 0.00 H new ATOM 0 HG21 VAL B 2 0.172 13.323 -15.357 1.00 0.00 H new ATOM 0 HG22 VAL B 2 1.373 13.486 -16.661 1.00 0.00 H new ATOM 0 HG23 VAL B 2 1.892 13.554 -14.960 1.00 0.00 H new ATOM 349 N ASN B 3 2.867 16.353 -13.777 1.00 0.00 N ATOM 350 CA ASN B 3 3.822 16.275 -12.636 1.00 0.00 C ATOM 351 C ASN B 3 4.297 14.830 -12.467 1.00 0.00 C ATOM 352 O ASN B 3 3.965 13.963 -13.251 1.00 0.00 O ATOM 353 CB ASN B 3 3.125 16.736 -11.354 1.00 0.00 C ATOM 354 CG ASN B 3 2.589 18.156 -11.545 1.00 0.00 C ATOM 355 OD1 ASN B 3 3.300 19.029 -12.002 1.00 0.00 O ATOM 356 ND2 ASN B 3 1.356 18.425 -11.214 1.00 0.00 N ATOM 0 H ASN B 3 1.960 16.764 -13.556 1.00 0.00 H new ATOM 0 HA ASN B 3 4.679 16.919 -12.835 1.00 0.00 H new ATOM 0 HB2 ASN B 3 2.308 16.058 -11.108 1.00 0.00 H new ATOM 0 HB3 ASN B 3 3.824 16.709 -10.518 1.00 0.00 H new ATOM 0 HD21 ASN B 3 0.989 19.368 -11.339 1.00 0.00 H new ATOM 0 HD22 ASN B 3 0.759 17.692 -10.830 1.00 0.00 H new ATOM 363 N GLN B 4 5.072 14.564 -11.452 1.00 0.00 N ATOM 364 CA GLN B 4 5.567 13.174 -11.236 1.00 0.00 C ATOM 365 C GLN B 4 4.600 12.423 -10.319 1.00 0.00 C ATOM 366 O GLN B 4 4.992 11.869 -9.310 1.00 0.00 O ATOM 367 CB GLN B 4 6.952 13.221 -10.586 1.00 0.00 C ATOM 368 CG GLN B 4 8.028 13.182 -11.673 1.00 0.00 C ATOM 369 CD GLN B 4 8.963 14.382 -11.510 1.00 0.00 C ATOM 370 OE1 GLN B 4 8.609 15.494 -11.851 1.00 0.00 O ATOM 371 NE2 GLN B 4 10.150 14.204 -10.998 1.00 0.00 N ATOM 0 H GLN B 4 5.384 15.248 -10.763 1.00 0.00 H new ATOM 0 HA GLN B 4 5.632 12.659 -12.195 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.055 14.128 -9.990 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.075 12.377 -9.907 1.00 0.00 H new ATOM 0 HG2 GLN B 4 8.595 12.254 -11.605 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.564 13.200 -12.659 1.00 0.00 H new ATOM 0 HE21 GLN B 4 10.447 13.271 -10.712 1.00 0.00 H new ATOM 0 HE22 GLN B 4 10.780 14.998 -10.884 1.00 0.00 H new ATOM 380 N HIS B 5 3.342 12.396 -10.660 1.00 0.00 N ATOM 381 CA HIS B 5 2.354 11.677 -9.807 1.00 0.00 C ATOM 382 C HIS B 5 2.531 10.168 -9.988 1.00 0.00 C ATOM 383 O HIS B 5 2.875 9.697 -11.053 1.00 0.00 O ATOM 384 CB HIS B 5 0.936 12.076 -10.221 1.00 0.00 C ATOM 385 CG HIS B 5 0.030 12.031 -9.021 1.00 0.00 C ATOM 386 ND1 HIS B 5 0.533 12.055 -7.738 1.00 0.00 N ATOM 387 CD2 HIS B 5 -1.332 11.964 -8.926 1.00 0.00 C ATOM 388 CE1 HIS B 5 -0.521 12.003 -6.911 1.00 0.00 C ATOM 389 NE2 HIS B 5 -1.684 11.947 -7.593 1.00 0.00 N ATOM 0 H HIS B 5 2.955 12.841 -11.492 1.00 0.00 H new ATOM 0 HA HIS B 5 2.515 11.941 -8.762 1.00 0.00 H new ATOM 0 HB2 HIS B 5 0.940 13.078 -10.650 1.00 0.00 H new ATOM 0 HB3 HIS B 5 0.568 11.400 -10.993 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -2.019 11.930 -9.758 1.00 0.00 H new ATOM 0 HE1 HIS B 5 -0.448 12.006 -5.833 1.00 0.00 H new ATOM 0 HE2 HIS B 5 -2.626 11.902 -7.204 1.00 0.00 H new ATOM 398 N LEU B 6 2.297 9.405 -8.955 1.00 0.00 N ATOM 399 CA LEU B 6 2.453 7.927 -9.073 1.00 0.00 C ATOM 400 C LEU B 6 1.093 7.258 -8.891 1.00 0.00 C ATOM 401 O LEU B 6 0.059 7.892 -8.955 1.00 0.00 O ATOM 402 CB LEU B 6 3.405 7.389 -7.999 1.00 0.00 C ATOM 403 CG LEU B 6 4.020 8.524 -7.181 1.00 0.00 C ATOM 404 CD1 LEU B 6 3.131 8.816 -5.971 1.00 0.00 C ATOM 405 CD2 LEU B 6 5.402 8.091 -6.700 1.00 0.00 C ATOM 0 H LEU B 6 2.005 9.740 -8.037 1.00 0.00 H new ATOM 0 HA LEU B 6 2.863 7.706 -10.058 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.864 6.713 -7.337 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.197 6.808 -8.471 1.00 0.00 H new ATOM 0 HG LEU B 6 4.104 9.421 -7.794 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.567 9.625 -5.386 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.138 9.109 -6.311 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.053 7.922 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.851 8.893 -6.115 1.00 0.00 H new ATOM 0 HD22 LEU B 6 5.309 7.199 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU B 6 6.034 7.871 -7.560 1.00 0.00 H new ATOM 417 N CYS B 7 1.093 5.977 -8.652 1.00 0.00 N ATOM 418 CA CYS B 7 -0.191 5.253 -8.451 1.00 0.00 C ATOM 419 C CYS B 7 -1.061 5.384 -9.700 1.00 0.00 C ATOM 420 O CYS B 7 -0.612 5.832 -10.738 1.00 0.00 O ATOM 421 CB CYS B 7 -0.918 5.855 -7.251 1.00 0.00 C ATOM 422 SG CYS B 7 0.269 6.138 -5.913 1.00 0.00 S ATOM 0 H CYS B 7 1.931 5.399 -8.587 1.00 0.00 H new ATOM 0 HA CYS B 7 0.008 4.197 -8.269 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.395 6.793 -7.534 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.708 5.183 -6.916 1.00 0.00 H new ATOM 427 N GLY B 8 -2.300 4.989 -9.613 1.00 0.00 N ATOM 428 CA GLY B 8 -3.197 5.082 -10.801 1.00 0.00 C ATOM 429 C GLY B 8 -2.678 4.140 -11.887 1.00 0.00 C ATOM 430 O GLY B 8 -2.082 4.563 -12.857 1.00 0.00 O ATOM 0 H GLY B 8 -2.731 4.606 -8.772 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.217 4.814 -10.525 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.226 6.106 -11.173 1.00 0.00 H new ATOM 434 N SER B 9 -2.889 2.861 -11.721 1.00 0.00 N ATOM 435 CA SER B 9 -2.397 1.884 -12.733 1.00 0.00 C ATOM 436 C SER B 9 -0.894 1.666 -12.533 1.00 0.00 C ATOM 437 O SER B 9 -0.281 0.859 -13.204 1.00 0.00 O ATOM 438 CB SER B 9 -2.654 2.422 -14.141 1.00 0.00 C ATOM 439 OG SER B 9 -2.751 1.333 -15.049 1.00 0.00 O ATOM 0 H SER B 9 -3.381 2.451 -10.927 1.00 0.00 H new ATOM 0 HA SER B 9 -2.925 0.938 -12.611 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.574 3.007 -14.157 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.846 3.090 -14.441 1.00 0.00 H new ATOM 0 HG SER B 9 -2.917 1.674 -15.952 1.00 0.00 H new ATOM 445 N HIS B 10 -0.297 2.376 -11.612 1.00 0.00 N ATOM 446 CA HIS B 10 1.163 2.205 -11.366 1.00 0.00 C ATOM 447 C HIS B 10 1.367 1.115 -10.312 1.00 0.00 C ATOM 448 O HIS B 10 2.273 0.310 -10.402 1.00 0.00 O ATOM 449 CB HIS B 10 1.756 3.524 -10.865 1.00 0.00 C ATOM 450 CG HIS B 10 2.112 4.391 -12.042 1.00 0.00 C ATOM 451 ND1 HIS B 10 3.343 5.004 -12.138 1.00 0.00 N ATOM 452 CD2 HIS B 10 1.394 4.734 -13.155 1.00 0.00 C ATOM 453 CE1 HIS B 10 3.340 5.692 -13.289 1.00 0.00 C ATOM 454 NE2 HIS B 10 2.169 5.557 -13.945 1.00 0.00 N ATOM 0 H HIS B 10 -0.758 3.067 -11.020 1.00 0.00 H new ATOM 0 HA HIS B 10 1.662 1.918 -12.292 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.039 4.038 -10.225 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.642 3.331 -10.260 1.00 0.00 H new ATOM 0 HD2 HIS B 10 0.387 4.413 -13.378 1.00 0.00 H new ATOM 0 HE1 HIS B 10 4.172 6.281 -13.646 1.00 0.00 H new ATOM 0 HE2 HIS B 10 1.911 5.976 -14.838 1.00 0.00 H new ATOM 463 N LEU B 11 0.522 1.078 -9.317 1.00 0.00 N ATOM 464 CA LEU B 11 0.660 0.034 -8.262 1.00 0.00 C ATOM 465 C LEU B 11 0.258 -1.319 -8.847 1.00 0.00 C ATOM 466 O LEU B 11 0.801 -2.346 -8.494 1.00 0.00 O ATOM 467 CB LEU B 11 -0.256 0.372 -7.084 1.00 0.00 C ATOM 468 CG LEU B 11 0.308 1.571 -6.328 1.00 0.00 C ATOM 469 CD1 LEU B 11 -0.555 1.855 -5.096 1.00 0.00 C ATOM 470 CD2 LEU B 11 1.739 1.266 -5.881 1.00 0.00 C ATOM 0 H LEU B 11 -0.257 1.725 -9.190 1.00 0.00 H new ATOM 0 HA LEU B 11 1.693 -0.005 -7.915 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.261 0.595 -7.443 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.339 -0.486 -6.417 1.00 0.00 H new ATOM 0 HG LEU B 11 0.306 2.442 -6.983 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.150 2.712 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.576 2.073 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.554 0.983 -4.442 1.00 0.00 H new ATOM 0 HD21 LEU B 11 2.142 2.123 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU B 11 1.738 0.393 -5.228 1.00 0.00 H new ATOM 0 HD23 LEU B 11 2.358 1.064 -6.755 1.00 0.00 H new ATOM 482 N VAL B 12 -0.688 -1.325 -9.744 1.00 0.00 N ATOM 483 CA VAL B 12 -1.131 -2.589 -10.359 1.00 0.00 C ATOM 484 C VAL B 12 0.081 -3.302 -10.975 1.00 0.00 C ATOM 485 O VAL B 12 0.048 -4.485 -11.250 1.00 0.00 O ATOM 486 CB VAL B 12 -2.191 -2.226 -11.412 1.00 0.00 C ATOM 487 CG1 VAL B 12 -1.756 -2.647 -12.815 1.00 0.00 C ATOM 488 CG2 VAL B 12 -3.505 -2.909 -11.054 1.00 0.00 C ATOM 0 H VAL B 12 -1.174 -0.492 -10.076 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.567 -3.274 -9.631 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.317 -1.143 -11.414 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.530 -2.375 -13.533 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -0.826 -2.141 -13.075 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -1.602 -3.726 -12.840 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.261 -2.656 -11.797 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.361 -3.989 -11.037 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.835 -2.572 -10.071 1.00 0.00 H new ATOM 498 N GLU B 13 1.148 -2.583 -11.193 1.00 0.00 N ATOM 499 CA GLU B 13 2.357 -3.197 -11.787 1.00 0.00 C ATOM 500 C GLU B 13 3.380 -3.493 -10.691 1.00 0.00 C ATOM 501 O GLU B 13 3.606 -4.628 -10.321 1.00 0.00 O ATOM 502 CB GLU B 13 2.967 -2.236 -12.808 1.00 0.00 C ATOM 503 CG GLU B 13 2.941 -2.882 -14.195 1.00 0.00 C ATOM 504 CD GLU B 13 4.201 -3.729 -14.386 1.00 0.00 C ATOM 505 OE1 GLU B 13 5.219 -3.378 -13.812 1.00 0.00 O ATOM 506 OE2 GLU B 13 4.126 -4.713 -15.103 1.00 0.00 O ATOM 0 H GLU B 13 1.229 -1.589 -10.981 1.00 0.00 H new ATOM 0 HA GLU B 13 2.081 -4.129 -12.281 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.409 -1.300 -12.821 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.992 -1.993 -12.527 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.052 -3.504 -14.302 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.887 -2.113 -14.965 1.00 0.00 H new ATOM 513 N ALA B 14 4.001 -2.474 -10.178 1.00 0.00 N ATOM 514 CA ALA B 14 5.018 -2.671 -9.111 1.00 0.00 C ATOM 515 C ALA B 14 4.425 -3.513 -7.985 1.00 0.00 C ATOM 516 O ALA B 14 5.135 -4.118 -7.206 1.00 0.00 O ATOM 517 CB ALA B 14 5.449 -1.310 -8.559 1.00 0.00 C ATOM 0 H ALA B 14 3.848 -1.504 -10.453 1.00 0.00 H new ATOM 0 HA ALA B 14 5.884 -3.185 -9.528 1.00 0.00 H new ATOM 0 HB1 ALA B 14 6.194 -1.454 -7.777 1.00 0.00 H new ATOM 0 HB2 ALA B 14 5.877 -0.711 -9.362 1.00 0.00 H new ATOM 0 HB3 ALA B 14 4.583 -0.795 -8.144 1.00 0.00 H new ATOM 523 N LEU B 15 3.127 -3.557 -7.891 1.00 0.00 N ATOM 524 CA LEU B 15 2.487 -4.362 -6.812 1.00 0.00 C ATOM 525 C LEU B 15 2.144 -5.751 -7.349 1.00 0.00 C ATOM 526 O LEU B 15 1.859 -6.664 -6.601 1.00 0.00 O ATOM 527 CB LEU B 15 1.209 -3.666 -6.338 1.00 0.00 C ATOM 528 CG LEU B 15 0.857 -4.145 -4.929 1.00 0.00 C ATOM 529 CD1 LEU B 15 -0.092 -3.144 -4.270 1.00 0.00 C ATOM 530 CD2 LEU B 15 0.174 -5.512 -5.012 1.00 0.00 C ATOM 0 H LEU B 15 2.481 -3.072 -8.513 1.00 0.00 H new ATOM 0 HA LEU B 15 3.177 -4.456 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.349 -2.585 -6.341 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.389 -3.883 -7.022 1.00 0.00 H new ATOM 0 HG LEU B 15 1.768 -4.226 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -0.342 -3.487 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.392 -2.169 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.003 -3.062 -4.863 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.077 -5.855 -4.008 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.736 -5.428 -5.606 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.849 -6.228 -5.481 1.00 0.00 H new ATOM 542 N TYR B 16 2.172 -5.919 -8.643 1.00 0.00 N ATOM 543 CA TYR B 16 1.851 -7.251 -9.229 1.00 0.00 C ATOM 544 C TYR B 16 3.023 -8.207 -8.993 1.00 0.00 C ATOM 545 O TYR B 16 2.973 -9.365 -9.357 1.00 0.00 O ATOM 546 CB TYR B 16 1.613 -7.102 -10.734 1.00 0.00 C ATOM 547 CG TYR B 16 0.227 -7.592 -11.077 1.00 0.00 C ATOM 548 CD1 TYR B 16 -0.897 -6.931 -10.564 1.00 0.00 C ATOM 549 CD2 TYR B 16 0.064 -8.707 -11.909 1.00 0.00 C ATOM 550 CE1 TYR B 16 -2.184 -7.386 -10.882 1.00 0.00 C ATOM 551 CE2 TYR B 16 -1.222 -9.162 -12.228 1.00 0.00 C ATOM 552 CZ TYR B 16 -2.346 -8.501 -11.715 1.00 0.00 C ATOM 553 OH TYR B 16 -3.613 -8.949 -12.030 1.00 0.00 O ATOM 0 H TYR B 16 2.403 -5.191 -9.319 1.00 0.00 H new ATOM 0 HA TYR B 16 0.954 -7.649 -8.756 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.724 -6.059 -11.029 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.359 -7.671 -11.289 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -0.772 -6.071 -9.923 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.930 -9.216 -12.305 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.050 -6.878 -10.485 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -1.347 -10.022 -12.869 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.547 -9.730 -12.618 1.00 0.00 H new ATOM 563 N LEU B 17 4.078 -7.731 -8.388 1.00 0.00 N ATOM 564 CA LEU B 17 5.252 -8.614 -8.134 1.00 0.00 C ATOM 565 C LEU B 17 5.534 -8.675 -6.632 1.00 0.00 C ATOM 566 O LEU B 17 6.075 -9.642 -6.132 1.00 0.00 O ATOM 567 CB LEU B 17 6.475 -8.052 -8.861 1.00 0.00 C ATOM 568 CG LEU B 17 7.505 -9.163 -9.065 1.00 0.00 C ATOM 569 CD1 LEU B 17 7.918 -9.213 -10.537 1.00 0.00 C ATOM 570 CD2 LEU B 17 8.736 -8.882 -8.200 1.00 0.00 C ATOM 0 H LEU B 17 4.177 -6.771 -8.059 1.00 0.00 H new ATOM 0 HA LEU B 17 5.038 -9.618 -8.501 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.179 -7.635 -9.824 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.912 -7.238 -8.283 1.00 0.00 H new ATOM 0 HG LEU B 17 7.069 -10.120 -8.778 1.00 0.00 H new ATOM 0 HD11 LEU B 17 8.652 -10.005 -10.682 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.042 -9.413 -11.154 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.354 -8.257 -10.825 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.471 -9.674 -8.345 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.172 -7.925 -8.487 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.443 -8.847 -7.151 1.00 0.00 H new ATOM 582 N VAL B 18 5.177 -7.650 -5.905 1.00 0.00 N ATOM 583 CA VAL B 18 5.433 -7.655 -4.437 1.00 0.00 C ATOM 584 C VAL B 18 4.451 -8.598 -3.744 1.00 0.00 C ATOM 585 O VAL B 18 4.831 -9.412 -2.926 1.00 0.00 O ATOM 586 CB VAL B 18 5.246 -6.246 -3.875 1.00 0.00 C ATOM 587 CG1 VAL B 18 3.825 -5.762 -4.169 1.00 0.00 C ATOM 588 CG2 VAL B 18 5.462 -6.279 -2.362 1.00 0.00 C ATOM 0 H VAL B 18 4.720 -6.812 -6.264 1.00 0.00 H new ATOM 0 HA VAL B 18 6.455 -7.991 -4.258 1.00 0.00 H new ATOM 0 HB VAL B 18 5.964 -5.569 -4.339 1.00 0.00 H new ATOM 0 HG11 VAL B 18 3.693 -4.757 -3.768 1.00 0.00 H new ATOM 0 HG12 VAL B 18 3.661 -5.747 -5.247 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.107 -6.436 -3.702 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.330 -5.277 -1.954 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.739 -6.955 -1.906 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.472 -6.629 -2.146 1.00 0.00 H new ATOM 598 N CYS B 19 3.190 -8.489 -4.055 1.00 0.00 N ATOM 599 CA CYS B 19 2.189 -9.373 -3.402 1.00 0.00 C ATOM 600 C CYS B 19 2.157 -10.726 -4.117 1.00 0.00 C ATOM 601 O CYS B 19 2.291 -11.765 -3.503 1.00 0.00 O ATOM 602 CB CYS B 19 0.807 -8.721 -3.478 1.00 0.00 C ATOM 603 SG CYS B 19 -0.353 -9.637 -2.432 1.00 0.00 S ATOM 0 H CYS B 19 2.811 -7.827 -4.732 1.00 0.00 H new ATOM 0 HA CYS B 19 2.463 -9.523 -2.358 1.00 0.00 H new ATOM 0 HB2 CYS B 19 0.865 -7.683 -3.152 1.00 0.00 H new ATOM 0 HB3 CYS B 19 0.454 -8.712 -4.509 1.00 0.00 H new ATOM 608 N GLY B 20 1.982 -10.721 -5.410 1.00 0.00 N ATOM 609 CA GLY B 20 1.944 -12.007 -6.161 1.00 0.00 C ATOM 610 C GLY B 20 1.027 -11.864 -7.377 1.00 0.00 C ATOM 611 O GLY B 20 0.004 -12.513 -7.475 1.00 0.00 O ATOM 0 H GLY B 20 1.864 -9.882 -5.978 1.00 0.00 H new ATOM 0 HA2 GLY B 20 2.949 -12.283 -6.481 1.00 0.00 H new ATOM 0 HA3 GLY B 20 1.585 -12.807 -5.514 1.00 0.00 H new ATOM 615 N GLU B 21 1.383 -11.020 -8.306 1.00 0.00 N ATOM 616 CA GLU B 21 0.532 -10.837 -9.516 1.00 0.00 C ATOM 617 C GLU B 21 -0.850 -10.332 -9.097 1.00 0.00 C ATOM 618 O GLU B 21 -1.102 -9.143 -9.063 1.00 0.00 O ATOM 619 CB GLU B 21 0.389 -12.175 -10.245 1.00 0.00 C ATOM 620 CG GLU B 21 1.670 -12.469 -11.028 1.00 0.00 C ATOM 621 CD GLU B 21 1.642 -13.913 -11.533 1.00 0.00 C ATOM 622 OE1 GLU B 21 0.565 -14.483 -11.575 1.00 0.00 O ATOM 623 OE2 GLU B 21 2.698 -14.422 -11.869 1.00 0.00 O ATOM 0 H GLU B 21 2.227 -10.448 -8.280 1.00 0.00 H new ATOM 0 HA GLU B 21 0.997 -10.109 -10.181 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.197 -12.973 -9.528 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -0.465 -12.143 -10.922 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.761 -11.781 -11.868 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.541 -12.312 -10.392 1.00 0.00 H new ATOM 630 N ARG B 22 -1.748 -11.223 -8.778 1.00 0.00 N ATOM 631 CA ARG B 22 -3.113 -10.789 -8.362 1.00 0.00 C ATOM 632 C ARG B 22 -3.358 -11.196 -6.909 1.00 0.00 C ATOM 633 O ARG B 22 -2.919 -12.238 -6.463 1.00 0.00 O ATOM 634 CB ARG B 22 -4.157 -11.453 -9.263 1.00 0.00 C ATOM 635 CG ARG B 22 -5.256 -10.442 -9.600 1.00 0.00 C ATOM 636 CD ARG B 22 -6.275 -11.089 -10.540 1.00 0.00 C ATOM 637 NE ARG B 22 -5.599 -11.497 -11.803 1.00 0.00 N ATOM 638 CZ ARG B 22 -6.294 -11.637 -12.898 1.00 0.00 C ATOM 639 NH1 ARG B 22 -6.602 -10.591 -13.614 1.00 0.00 N ATOM 640 NH2 ARG B 22 -6.680 -12.824 -13.278 1.00 0.00 N ATOM 0 H ARG B 22 -1.597 -12.232 -8.787 1.00 0.00 H new ATOM 0 HA ARG B 22 -3.193 -9.706 -8.453 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -3.687 -11.814 -10.178 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -4.587 -12.320 -8.762 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.749 -10.107 -8.687 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.821 -9.560 -10.070 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -6.727 -11.957 -10.061 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -7.081 -10.388 -10.757 1.00 0.00 H new ATOM 0 HE ARG B 22 -4.593 -11.667 -11.812 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -6.299 -9.663 -13.318 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -7.145 -10.701 -14.470 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -6.438 -13.642 -12.719 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -7.223 -12.934 -14.134 1.00 0.00 H new ATOM 654 N GLY B 23 -4.055 -10.382 -6.166 1.00 0.00 N ATOM 655 CA GLY B 23 -4.329 -10.717 -4.740 1.00 0.00 C ATOM 656 C GLY B 23 -4.636 -9.433 -3.969 1.00 0.00 C ATOM 657 O GLY B 23 -4.176 -9.237 -2.862 1.00 0.00 O ATOM 0 H GLY B 23 -4.448 -9.497 -6.486 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -5.171 -11.406 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.468 -11.221 -4.301 1.00 0.00 H new ATOM 661 N PHE B 24 -5.411 -8.558 -4.548 1.00 0.00 N ATOM 662 CA PHE B 24 -5.747 -7.285 -3.851 1.00 0.00 C ATOM 663 C PHE B 24 -6.902 -6.597 -4.580 1.00 0.00 C ATOM 664 O PHE B 24 -7.386 -7.075 -5.588 1.00 0.00 O ATOM 665 CB PHE B 24 -4.526 -6.365 -3.854 1.00 0.00 C ATOM 666 CG PHE B 24 -3.984 -6.256 -5.260 1.00 0.00 C ATOM 667 CD1 PHE B 24 -4.716 -5.576 -6.242 1.00 0.00 C ATOM 668 CD2 PHE B 24 -2.750 -6.837 -5.583 1.00 0.00 C ATOM 669 CE1 PHE B 24 -4.215 -5.476 -7.546 1.00 0.00 C ATOM 670 CE2 PHE B 24 -2.249 -6.738 -6.887 1.00 0.00 C ATOM 671 CZ PHE B 24 -2.981 -6.057 -7.869 1.00 0.00 C ATOM 0 H PHE B 24 -5.826 -8.669 -5.473 1.00 0.00 H new ATOM 0 HA PHE B 24 -6.039 -7.499 -2.823 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.799 -5.378 -3.480 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -3.759 -6.758 -3.186 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -5.667 -5.129 -5.993 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -2.185 -7.361 -4.826 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -4.779 -4.951 -8.303 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -1.299 -7.186 -7.136 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.594 -5.980 -8.874 1.00 0.00 H new ATOM 681 N PHE B 25 -7.346 -5.476 -4.084 1.00 0.00 N ATOM 682 CA PHE B 25 -8.466 -4.757 -4.752 1.00 0.00 C ATOM 683 C PHE B 25 -8.240 -3.249 -4.638 1.00 0.00 C ATOM 684 O PHE B 25 -7.417 -2.792 -3.870 1.00 0.00 O ATOM 685 CB PHE B 25 -9.789 -5.129 -4.077 1.00 0.00 C ATOM 686 CG PHE B 25 -9.773 -4.668 -2.639 1.00 0.00 C ATOM 687 CD1 PHE B 25 -9.192 -5.475 -1.651 1.00 0.00 C ATOM 688 CD2 PHE B 25 -10.341 -3.434 -2.293 1.00 0.00 C ATOM 689 CE1 PHE B 25 -9.179 -5.047 -0.317 1.00 0.00 C ATOM 690 CE2 PHE B 25 -10.328 -3.008 -0.958 1.00 0.00 C ATOM 691 CZ PHE B 25 -9.747 -3.814 0.029 1.00 0.00 C ATOM 0 H PHE B 25 -6.981 -5.026 -3.244 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.505 -5.041 -5.804 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -10.622 -4.668 -4.608 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -9.941 -6.207 -4.122 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.755 -6.426 -1.918 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -10.788 -2.812 -3.054 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -8.731 -5.668 0.445 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.766 -2.058 -0.690 1.00 0.00 H new ATOM 0 HZ PHE B 25 -9.737 -3.485 1.058 1.00 0.00 H new ATOM 701 N TYR B 26 -8.965 -2.471 -5.395 1.00 0.00 N ATOM 702 CA TYR B 26 -8.803 -1.015 -5.341 1.00 0.00 C ATOM 703 C TYR B 26 -10.151 -0.386 -5.017 1.00 0.00 C ATOM 704 O TYR B 26 -10.801 -0.732 -4.050 1.00 0.00 O ATOM 705 CB TYR B 26 -8.273 -0.529 -6.694 1.00 0.00 C ATOM 706 CG TYR B 26 -6.936 -1.174 -6.975 1.00 0.00 C ATOM 707 CD1 TYR B 26 -5.835 -0.888 -6.155 1.00 0.00 C ATOM 708 CD2 TYR B 26 -6.796 -2.058 -8.054 1.00 0.00 C ATOM 709 CE1 TYR B 26 -4.595 -1.486 -6.416 1.00 0.00 C ATOM 710 CE2 TYR B 26 -5.556 -2.655 -8.313 1.00 0.00 C ATOM 711 CZ TYR B 26 -4.455 -2.368 -7.494 1.00 0.00 C ATOM 712 OH TYR B 26 -3.233 -2.957 -7.751 1.00 0.00 O ATOM 0 H TYR B 26 -9.670 -2.801 -6.054 1.00 0.00 H new ATOM 0 HA TYR B 26 -8.091 -0.727 -4.567 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -8.981 -0.778 -7.484 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -8.171 0.556 -6.687 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.943 -0.208 -5.323 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.644 -2.279 -8.685 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.747 -1.266 -5.785 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.448 -3.337 -9.144 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.237 -3.878 -7.417 1.00 0.00 H new ATOM 722 N THR B 27 -10.565 0.528 -5.813 1.00 0.00 N ATOM 723 CA THR B 27 -11.870 1.206 -5.580 1.00 0.00 C ATOM 724 C THR B 27 -12.987 0.416 -6.272 1.00 0.00 C ATOM 725 O THR B 27 -12.842 0.014 -7.409 1.00 0.00 O ATOM 726 CB THR B 27 -11.815 2.621 -6.160 1.00 0.00 C ATOM 727 OG1 THR B 27 -10.876 3.396 -5.427 1.00 0.00 O ATOM 728 CG2 THR B 27 -13.197 3.266 -6.066 1.00 0.00 C ATOM 0 H THR B 27 -10.055 0.851 -6.635 1.00 0.00 H new ATOM 0 HA THR B 27 -12.069 1.256 -4.510 1.00 0.00 H new ATOM 0 HB THR B 27 -11.509 2.574 -7.205 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.839 4.302 -5.799 1.00 0.00 H new ATOM 0 HG21 THR B 27 -13.157 4.274 -6.479 1.00 0.00 H new ATOM 0 HG22 THR B 27 -13.915 2.671 -6.630 1.00 0.00 H new ATOM 0 HG23 THR B 27 -13.506 3.314 -5.022 1.00 0.00 H new ATOM 736 N PRO B 28 -14.075 0.217 -5.567 1.00 0.00 N ATOM 737 CA PRO B 28 -15.235 -0.522 -6.094 1.00 0.00 C ATOM 738 C PRO B 28 -16.063 0.378 -7.018 1.00 0.00 C ATOM 739 O PRO B 28 -16.172 1.569 -6.806 1.00 0.00 O ATOM 740 CB PRO B 28 -16.031 -0.885 -4.838 1.00 0.00 C ATOM 741 CG PRO B 28 -15.608 0.126 -3.745 1.00 0.00 C ATOM 742 CD PRO B 28 -14.250 0.706 -4.184 1.00 0.00 C ATOM 0 HA PRO B 28 -14.956 -1.395 -6.684 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -17.103 -0.827 -5.027 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -15.818 -1.907 -4.525 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -16.351 0.916 -3.640 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -15.525 -0.364 -2.775 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -14.251 1.795 -4.144 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -13.443 0.364 -3.536 1.00 0.00 H new ATOM 750 N LYS B 29 -16.645 -0.183 -8.042 1.00 0.00 N ATOM 751 CA LYS B 29 -17.464 0.643 -8.974 1.00 0.00 C ATOM 752 C LYS B 29 -18.744 1.091 -8.266 1.00 0.00 C ATOM 753 O LYS B 29 -19.620 0.297 -7.987 1.00 0.00 O ATOM 754 CB LYS B 29 -17.825 -0.188 -10.206 1.00 0.00 C ATOM 755 CG LYS B 29 -17.503 0.608 -11.472 1.00 0.00 C ATOM 756 CD LYS B 29 -15.995 0.568 -11.730 1.00 0.00 C ATOM 757 CE LYS B 29 -15.530 1.930 -12.249 1.00 0.00 C ATOM 758 NZ LYS B 29 -14.755 2.629 -11.186 1.00 0.00 N ATOM 0 H LYS B 29 -16.589 -1.175 -8.273 1.00 0.00 H new ATOM 0 HA LYS B 29 -16.894 1.520 -9.282 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.268 -1.125 -10.202 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.884 -0.446 -10.186 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -18.040 0.190 -12.324 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.836 1.640 -11.360 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.465 0.317 -10.812 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.760 -0.210 -12.457 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -14.913 1.801 -13.138 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.390 2.532 -12.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.439 3.555 -11.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -15.358 2.765 -10.349 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -13.927 2.056 -10.927 1.00 0.00 H new ATOM 772 N THR B 30 -18.860 2.357 -7.973 1.00 0.00 N ATOM 773 CA THR B 30 -20.085 2.852 -7.284 1.00 0.00 C ATOM 774 C THR B 30 -20.424 4.256 -7.789 1.00 0.00 C ATOM 775 O THR B 30 -21.618 4.620 -7.736 1.00 0.00 O ATOM 776 CB THR B 30 -19.837 2.900 -5.774 1.00 0.00 C ATOM 777 OG1 THR B 30 -21.069 3.123 -5.102 1.00 0.00 O ATOM 778 CG2 THR B 30 -18.863 4.033 -5.449 1.00 0.00 C ATOM 779 OXT THR B 30 -19.506 4.985 -8.234 1.00 0.00 O ATOM 0 H THR B 30 -18.160 3.069 -8.181 1.00 0.00 H new ATOM 0 HA THR B 30 -20.916 2.180 -7.495 1.00 0.00 H new ATOM 0 HB THR B 30 -19.409 1.953 -5.445 1.00 0.00 H new ATOM 0 HG1 THR B 30 -20.913 3.153 -4.135 1.00 0.00 H new ATOM 0 HG21 THR B 30 -18.688 4.065 -4.374 1.00 0.00 H new ATOM 0 HG22 THR B 30 -17.919 3.860 -5.965 1.00 0.00 H new ATOM 0 HG23 THR B 30 -19.287 4.982 -5.776 1.00 0.00 H new TER 787 THR B 30