USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 427 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 35 THR OG1 : rot -160:sc= 0.16 USER MOD Set 1.2: A 37 ASN : amide:sc= 0.166 X(o=0.33,f=0.75) USER MOD Single : A 3 CYS SG : rot 167:sc= -2.26 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 172:sc= 1.2 (180deg=1.14) USER MOD Single : A 16 SER OG : rot 168:sc= 1.3 USER MOD Single : A 18 LYS NZ :NH3+ -138:sc= 2.78 (180deg=0.963) USER MOD Single : A 19 SER OG : rot -160:sc= 0 USER MOD Single : A 21 THR OG1 : rot 99:sc= 0.261 USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 1.29 (180deg=1.26) USER MOD Single : A 26 SER OG : rot -124:sc= 0.76 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.2) USER MOD Single : A 41 THR OG1 : rot -100:sc= 0.0339 USER MOD Single : A 42 ASN : amide:sc= 0.489 X(o=0.49,f=0) USER MOD Single : A 46 SER OG : rot 83:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 -6.516 -1.429 -7.287 1.00 0.00 N ATOM 19 CA LEU A 2 -6.116 -2.808 -6.981 1.00 0.00 C ATOM 20 C LEU A 2 -4.630 -2.885 -6.635 1.00 0.00 C ATOM 21 O LEU A 2 -3.807 -2.129 -7.161 1.00 0.00 O ATOM 22 CB LEU A 2 -6.489 -3.754 -8.135 1.00 0.00 C ATOM 23 CG LEU A 2 -8.000 -3.858 -8.419 1.00 0.00 C ATOM 24 CD1 LEU A 2 -8.233 -4.792 -9.609 1.00 0.00 C ATOM 25 CD2 LEU A 2 -8.789 -4.408 -7.229 1.00 0.00 C ATOM 0 HA LEU A 2 -6.667 -3.138 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -5.985 -3.417 -9.041 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.106 -4.749 -7.909 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.350 -2.847 -8.626 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.302 -4.866 -9.810 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.725 -4.395 -10.488 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.838 -5.781 -9.378 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.847 -4.459 -7.486 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.427 -5.406 -6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.656 -3.751 -6.369 1.00 0.00 H new ATOM 37 N CYS A 3 -4.297 -3.817 -5.739 1.00 0.00 N ATOM 38 CA CYS A 3 -2.990 -3.885 -5.117 1.00 0.00 C ATOM 39 C CYS A 3 -1.855 -4.237 -6.090 1.00 0.00 C ATOM 40 O CYS A 3 -1.999 -5.030 -7.015 1.00 0.00 O ATOM 41 CB CYS A 3 -3.165 -4.813 -3.904 1.00 0.00 C ATOM 42 SG CYS A 3 -1.649 -5.260 -3.048 1.00 0.00 S ATOM 0 H CYS A 3 -4.938 -4.547 -5.428 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.646 -2.908 -4.777 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.835 -4.330 -3.192 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.658 -5.727 -4.236 1.00 0.00 H new ATOM 0 HG CYS A 3 -1.941 -5.803 -1.903 1.00 0.00 H new ATOM 48 N ALA A 4 -0.693 -3.636 -5.858 1.00 0.00 N ATOM 49 CA ALA A 4 0.522 -3.891 -6.641 1.00 0.00 C ATOM 50 C ALA A 4 1.332 -5.083 -6.096 1.00 0.00 C ATOM 51 O ALA A 4 2.195 -5.611 -6.799 1.00 0.00 O ATOM 52 CB ALA A 4 1.378 -2.624 -6.731 1.00 0.00 C ATOM 0 H ALA A 4 -0.561 -2.950 -5.115 1.00 0.00 H new ATOM 0 HA ALA A 4 0.210 -4.167 -7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.275 -2.831 -7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.806 -1.832 -7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.664 -2.306 -5.728 1.00 0.00 H new ATOM 58 N ILE A 5 1.048 -5.526 -4.859 1.00 0.00 N ATOM 59 CA ILE A 5 1.680 -6.709 -4.267 1.00 0.00 C ATOM 60 C ILE A 5 1.046 -7.987 -4.841 1.00 0.00 C ATOM 61 O ILE A 5 1.775 -8.832 -5.368 1.00 0.00 O ATOM 62 CB ILE A 5 1.661 -6.647 -2.721 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.619 -5.571 -2.171 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.088 -8.018 -2.158 1.00 0.00 C ATOM 65 CD1 ILE A 5 1.947 -4.199 -2.047 1.00 0.00 C ATOM 0 H ILE A 5 0.373 -5.071 -4.244 1.00 0.00 H new ATOM 0 HA ILE A 5 2.735 -6.729 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 5 0.648 -6.390 -2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.987 -5.882 -1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.486 -5.490 -2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.077 -7.983 -1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.395 -8.785 -2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.094 -8.256 -2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.664 -3.477 -1.655 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.602 -3.873 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.097 -4.270 -1.369 1.00 0.00 H new ATOM 77 N SER A 6 -0.290 -8.124 -4.777 1.00 0.00 N ATOM 78 CA SER A 6 -0.991 -9.309 -5.318 1.00 0.00 C ATOM 79 C SER A 6 -2.273 -9.024 -6.111 1.00 0.00 C ATOM 80 O SER A 6 -2.837 -9.958 -6.686 1.00 0.00 O ATOM 81 CB SER A 6 -1.291 -10.360 -4.239 1.00 0.00 C ATOM 82 OG SER A 6 -0.134 -10.728 -3.503 1.00 0.00 O ATOM 0 H SER A 6 -0.909 -7.431 -4.357 1.00 0.00 H new ATOM 0 HA SER A 6 -0.268 -9.701 -6.033 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.044 -9.969 -3.555 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.717 -11.247 -4.708 1.00 0.00 H new ATOM 0 HG SER A 6 -0.375 -11.397 -2.828 1.00 0.00 H new ATOM 88 N GLY A 7 -2.758 -7.774 -6.179 1.00 0.00 N ATOM 89 CA GLY A 7 -3.897 -7.431 -7.047 1.00 0.00 C ATOM 90 C GLY A 7 -5.274 -7.656 -6.440 1.00 0.00 C ATOM 91 O GLY A 7 -6.305 -7.513 -7.099 1.00 0.00 O ATOM 0 H GLY A 7 -2.383 -6.989 -5.647 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.812 -6.382 -7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.823 -8.017 -7.963 1.00 0.00 H new ATOM 95 N LYS A 8 -5.262 -7.996 -5.156 1.00 0.00 N ATOM 96 CA LYS A 8 -6.405 -8.163 -4.268 1.00 0.00 C ATOM 97 C LYS A 8 -7.182 -6.849 -4.127 1.00 0.00 C ATOM 98 O LYS A 8 -6.582 -5.771 -4.146 1.00 0.00 O ATOM 99 CB LYS A 8 -5.787 -8.627 -2.944 1.00 0.00 C ATOM 100 CG LYS A 8 -6.793 -8.918 -1.829 1.00 0.00 C ATOM 101 CD LYS A 8 -6.013 -9.379 -0.597 1.00 0.00 C ATOM 102 CE LYS A 8 -6.966 -9.715 0.552 1.00 0.00 C ATOM 103 NZ LYS A 8 -6.220 -9.981 1.808 1.00 0.00 N ATOM 0 H LYS A 8 -4.383 -8.176 -4.672 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.136 -8.881 -4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.202 -9.528 -3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.093 -7.862 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.376 -8.026 -1.599 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.498 -9.687 -2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.413 -10.254 -0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.321 -8.597 -0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.660 -8.889 0.706 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.563 -10.588 0.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.891 -10.072 2.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.679 -10.864 1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.567 -9.194 1.997 1.00 0.00 H new ATOM 117 N VAL A 9 -8.504 -6.941 -3.959 1.00 0.00 N ATOM 118 CA VAL A 9 -9.375 -5.812 -3.580 1.00 0.00 C ATOM 119 C VAL A 9 -9.014 -5.452 -2.130 1.00 0.00 C ATOM 120 O VAL A 9 -9.294 -6.257 -1.235 1.00 0.00 O ATOM 121 CB VAL A 9 -10.871 -6.170 -3.706 1.00 0.00 C ATOM 122 CG1 VAL A 9 -11.759 -4.980 -3.319 1.00 0.00 C ATOM 123 CG2 VAL A 9 -11.235 -6.570 -5.141 1.00 0.00 C ATOM 0 H VAL A 9 -9.014 -7.816 -4.084 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.215 -4.967 -4.250 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.043 -7.008 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.807 -5.261 -3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.555 -4.694 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.546 -4.138 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.296 -6.815 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.021 -5.741 -5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.647 -7.439 -5.437 1.00 0.00 H new ATOM 133 N PRO A 10 -8.352 -4.312 -1.863 1.00 0.00 N ATOM 134 CA PRO A 10 -7.781 -4.027 -0.551 1.00 0.00 C ATOM 135 C PRO A 10 -8.852 -3.856 0.538 1.00 0.00 C ATOM 136 O PRO A 10 -9.638 -2.907 0.509 1.00 0.00 O ATOM 137 CB PRO A 10 -6.921 -2.776 -0.750 1.00 0.00 C ATOM 138 CG PRO A 10 -7.589 -2.052 -1.916 1.00 0.00 C ATOM 139 CD PRO A 10 -8.102 -3.205 -2.779 1.00 0.00 C ATOM 0 HA PRO A 10 -7.182 -4.861 -0.186 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.903 -2.157 0.147 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.887 -3.034 -0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.400 -1.406 -1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.884 -1.423 -2.459 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.013 -2.922 -3.307 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.368 -3.483 -3.536 1.00 0.00 H new ATOM 147 N ARG A 11 -8.868 -4.764 1.523 1.00 0.00 N ATOM 148 CA ARG A 11 -9.688 -4.660 2.746 1.00 0.00 C ATOM 149 C ARG A 11 -9.284 -3.453 3.598 1.00 0.00 C ATOM 150 O ARG A 11 -10.146 -2.798 4.184 1.00 0.00 O ATOM 151 CB ARG A 11 -9.594 -5.961 3.561 1.00 0.00 C ATOM 152 CG ARG A 11 -10.221 -7.153 2.817 1.00 0.00 C ATOM 153 CD ARG A 11 -10.142 -8.428 3.667 1.00 0.00 C ATOM 154 NE ARG A 11 -10.792 -9.572 2.996 1.00 0.00 N ATOM 155 CZ ARG A 11 -12.067 -9.920 3.034 1.00 0.00 C ATOM 156 NH1 ARG A 11 -12.960 -9.243 3.702 1.00 0.00 N ATOM 157 NH2 ARG A 11 -12.478 -10.974 2.390 1.00 0.00 N ATOM 0 H ARG A 11 -8.300 -5.611 1.495 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.724 -4.509 2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.548 -6.178 3.778 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.097 -5.826 4.519 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.262 -6.933 2.580 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.704 -7.309 1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.098 -8.668 3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.619 -8.253 4.631 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.182 -10.167 2.434 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.685 -8.410 4.222 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.934 -9.547 3.704 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.816 -11.535 1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.462 -11.239 2.422 1.00 0.00 H new ATOM 171 N ARG A 12 -7.984 -3.126 3.620 1.00 0.00 N ATOM 172 CA ARG A 12 -7.395 -1.932 4.251 1.00 0.00 C ATOM 173 C ARG A 12 -6.595 -1.138 3.202 1.00 0.00 C ATOM 174 O ARG A 12 -5.409 -1.413 3.049 1.00 0.00 O ATOM 175 CB ARG A 12 -6.526 -2.389 5.440 1.00 0.00 C ATOM 176 CG ARG A 12 -7.368 -2.891 6.626 1.00 0.00 C ATOM 177 CD ARG A 12 -6.542 -3.743 7.602 1.00 0.00 C ATOM 178 NE ARG A 12 -6.181 -5.060 7.031 1.00 0.00 N ATOM 179 CZ ARG A 12 -6.944 -6.133 6.910 1.00 0.00 C ATOM 180 NH1 ARG A 12 -8.189 -6.162 7.294 1.00 0.00 N ATOM 181 NH2 ARG A 12 -6.454 -7.216 6.387 1.00 0.00 N ATOM 0 H ARG A 12 -7.279 -3.715 3.177 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.167 -1.264 4.633 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.856 -3.184 5.112 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.900 -1.559 5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.789 -2.038 7.158 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.206 -3.479 6.252 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.633 -3.205 7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.109 -3.891 8.521 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.225 -5.151 6.688 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.614 -5.333 7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.738 -7.014 7.180 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.484 -7.236 6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.039 -8.046 6.292 1.00 0.00 H new ATOM 195 N PRO A 13 -7.201 -0.216 2.429 1.00 0.00 N ATOM 196 CA PRO A 13 -6.529 0.521 1.362 1.00 0.00 C ATOM 197 C PRO A 13 -5.413 1.404 1.903 1.00 0.00 C ATOM 198 O PRO A 13 -5.584 2.189 2.837 1.00 0.00 O ATOM 199 CB PRO A 13 -7.616 1.313 0.623 1.00 0.00 C ATOM 200 CG PRO A 13 -8.747 1.391 1.640 1.00 0.00 C ATOM 201 CD PRO A 13 -8.617 0.031 2.313 1.00 0.00 C ATOM 0 HA PRO A 13 -6.030 -0.157 0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.266 2.304 0.335 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.931 0.808 -0.290 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.616 2.214 2.342 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.720 1.527 1.167 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.095 0.032 3.292 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.102 -0.746 1.722 1.00 0.00 H new ATOM 209 N VAL A 14 -4.250 1.249 1.295 1.00 0.00 N ATOM 210 CA VAL A 14 -2.998 1.913 1.679 1.00 0.00 C ATOM 211 C VAL A 14 -2.203 2.327 0.430 1.00 0.00 C ATOM 212 O VAL A 14 -2.317 1.693 -0.617 1.00 0.00 O ATOM 213 CB VAL A 14 -2.220 0.985 2.646 1.00 0.00 C ATOM 214 CG1 VAL A 14 -1.035 0.254 2.019 1.00 0.00 C ATOM 215 CG2 VAL A 14 -1.768 1.746 3.889 1.00 0.00 C ATOM 0 H VAL A 14 -4.138 0.635 0.488 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.196 2.842 2.214 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.935 0.209 2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.553 -0.370 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.386 -0.372 1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.318 0.982 1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.225 1.072 4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.117 2.569 3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.640 2.142 4.410 1.00 0.00 H new ATOM 225 N LEU A 15 -1.390 3.380 0.522 1.00 0.00 N ATOM 226 CA LEU A 15 -0.640 3.963 -0.595 1.00 0.00 C ATOM 227 C LEU A 15 0.779 4.351 -0.144 1.00 0.00 C ATOM 228 O LEU A 15 1.016 4.624 1.037 1.00 0.00 O ATOM 229 CB LEU A 15 -1.471 5.169 -1.098 1.00 0.00 C ATOM 230 CG LEU A 15 -0.851 6.047 -2.208 1.00 0.00 C ATOM 231 CD1 LEU A 15 -1.943 6.620 -3.115 1.00 0.00 C ATOM 232 CD2 LEU A 15 -0.095 7.255 -1.643 1.00 0.00 C ATOM 0 H LEU A 15 -1.229 3.867 1.403 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.499 3.255 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.426 4.791 -1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.686 5.810 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.168 5.394 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.486 7.235 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.496 5.803 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.625 7.230 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.322 7.840 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.780 7.876 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.712 6.909 -0.997 1.00 0.00 H new ATOM 244 N SER A 16 1.724 4.415 -1.085 1.00 0.00 N ATOM 245 CA SER A 16 3.059 4.993 -0.876 1.00 0.00 C ATOM 246 C SER A 16 3.293 6.102 -1.914 1.00 0.00 C ATOM 247 O SER A 16 2.806 5.998 -3.047 1.00 0.00 O ATOM 248 CB SER A 16 4.170 3.929 -0.899 1.00 0.00 C ATOM 249 OG SER A 16 4.648 3.645 -2.205 1.00 0.00 O ATOM 0 H SER A 16 1.583 4.061 -2.031 1.00 0.00 H new ATOM 0 HA SER A 16 3.100 5.429 0.122 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.001 4.268 -0.281 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.793 3.010 -0.450 1.00 0.00 H new ATOM 0 HG SER A 16 5.473 3.119 -2.144 1.00 0.00 H new ATOM 255 N PRO A 17 4.038 7.174 -1.581 1.00 0.00 N ATOM 256 CA PRO A 17 4.296 8.260 -2.526 1.00 0.00 C ATOM 257 C PRO A 17 5.220 7.846 -3.689 1.00 0.00 C ATOM 258 O PRO A 17 5.328 8.585 -4.670 1.00 0.00 O ATOM 259 CB PRO A 17 4.878 9.402 -1.683 1.00 0.00 C ATOM 260 CG PRO A 17 5.529 8.688 -0.498 1.00 0.00 C ATOM 261 CD PRO A 17 4.635 7.465 -0.285 1.00 0.00 C ATOM 0 HA PRO A 17 3.379 8.565 -3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.606 9.985 -2.248 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.101 10.093 -1.356 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.557 8.401 -0.718 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.558 9.323 0.387 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.215 6.616 0.077 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.867 7.668 0.462 1.00 0.00 H new ATOM 269 N LYS A 18 5.843 6.659 -3.612 1.00 0.00 N ATOM 270 CA LYS A 18 6.733 6.083 -4.626 1.00 0.00 C ATOM 271 C LYS A 18 5.939 5.480 -5.787 1.00 0.00 C ATOM 272 O LYS A 18 6.101 5.900 -6.933 1.00 0.00 O ATOM 273 CB LYS A 18 7.650 5.009 -4.011 1.00 0.00 C ATOM 274 CG LYS A 18 8.582 5.467 -2.878 1.00 0.00 C ATOM 275 CD LYS A 18 7.938 5.463 -1.479 1.00 0.00 C ATOM 276 CE LYS A 18 8.946 5.597 -0.327 1.00 0.00 C ATOM 277 NZ LYS A 18 9.976 4.531 -0.356 1.00 0.00 N ATOM 0 H LYS A 18 5.733 6.048 -2.802 1.00 0.00 H new ATOM 0 HA LYS A 18 7.349 6.895 -5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.023 4.202 -3.631 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.263 4.588 -4.808 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.459 4.820 -2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.934 6.475 -3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.221 6.282 -1.418 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.377 4.537 -1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.432 6.571 -0.384 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.415 5.561 0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.146 4.186 0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.645 3.745 -0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.860 4.913 -0.747 1.00 0.00 H new ATOM 291 N SER A 19 5.079 4.500 -5.493 1.00 0.00 N ATOM 292 CA SER A 19 4.245 3.806 -6.481 1.00 0.00 C ATOM 293 C SER A 19 3.007 4.623 -6.865 1.00 0.00 C ATOM 294 O SER A 19 2.556 4.547 -8.008 1.00 0.00 O ATOM 295 CB SER A 19 3.805 2.447 -5.925 1.00 0.00 C ATOM 296 OG SER A 19 4.931 1.620 -5.663 1.00 0.00 O ATOM 0 H SER A 19 4.940 4.159 -4.542 1.00 0.00 H new ATOM 0 HA SER A 19 4.847 3.669 -7.379 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.233 2.592 -5.008 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.144 1.954 -6.638 1.00 0.00 H new ATOM 0 HG SER A 19 4.646 0.683 -5.619 1.00 0.00 H new ATOM 302 N ARG A 20 2.455 5.411 -5.923 1.00 0.00 N ATOM 303 CA ARG A 20 1.197 6.189 -6.022 1.00 0.00 C ATOM 304 C ARG A 20 -0.078 5.358 -6.290 1.00 0.00 C ATOM 305 O ARG A 20 -1.171 5.915 -6.399 1.00 0.00 O ATOM 306 CB ARG A 20 1.391 7.347 -7.028 1.00 0.00 C ATOM 307 CG ARG A 20 0.680 8.657 -6.645 1.00 0.00 C ATOM 308 CD ARG A 20 1.278 9.361 -5.413 1.00 0.00 C ATOM 309 NE ARG A 20 2.705 9.704 -5.591 1.00 0.00 N ATOM 310 CZ ARG A 20 3.234 10.790 -6.122 1.00 0.00 C ATOM 311 NH1 ARG A 20 2.513 11.759 -6.615 1.00 0.00 N ATOM 312 NH2 ARG A 20 4.526 10.913 -6.163 1.00 0.00 N ATOM 0 H ARG A 20 2.901 5.532 -5.014 1.00 0.00 H new ATOM 0 HA ARG A 20 1.002 6.599 -5.031 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.458 7.545 -7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.030 7.026 -8.005 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.718 9.340 -7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.372 8.444 -6.453 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.712 10.270 -5.208 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.169 8.715 -4.542 1.00 0.00 H new ATOM 0 HE ARG A 20 3.371 9.007 -5.258 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.495 11.696 -6.600 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.967 12.580 -7.015 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.121 10.175 -5.787 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.946 11.748 -6.571 1.00 0.00 H new ATOM 326 N THR A 21 0.049 4.034 -6.373 1.00 0.00 N ATOM 327 CA THR A 21 -1.014 3.024 -6.433 1.00 0.00 C ATOM 328 C THR A 21 -1.707 2.849 -5.075 1.00 0.00 C ATOM 329 O THR A 21 -1.242 3.385 -4.066 1.00 0.00 O ATOM 330 CB THR A 21 -0.381 1.688 -6.858 1.00 0.00 C ATOM 331 OG1 THR A 21 0.646 1.310 -5.971 1.00 0.00 O ATOM 332 CG2 THR A 21 0.299 1.761 -8.225 1.00 0.00 C ATOM 0 H THR A 21 0.973 3.602 -6.403 1.00 0.00 H new ATOM 0 HA THR A 21 -1.769 3.349 -7.149 1.00 0.00 H new ATOM 0 HB THR A 21 -1.212 0.982 -6.871 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.298 0.659 -5.326 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.727 0.789 -8.471 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.435 2.036 -8.982 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.091 2.510 -8.198 1.00 0.00 H new ATOM 340 N ILE A 22 -2.786 2.056 -5.013 1.00 0.00 N ATOM 341 CA ILE A 22 -3.424 1.660 -3.751 1.00 0.00 C ATOM 342 C ILE A 22 -3.309 0.143 -3.635 1.00 0.00 C ATOM 343 O ILE A 22 -3.872 -0.601 -4.440 1.00 0.00 O ATOM 344 CB ILE A 22 -4.882 2.153 -3.636 1.00 0.00 C ATOM 345 CG1 ILE A 22 -5.053 3.689 -3.745 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.468 1.726 -2.275 1.00 0.00 C ATOM 347 CD1 ILE A 22 -5.090 4.245 -5.175 1.00 0.00 C ATOM 0 H ILE A 22 -3.242 1.670 -5.840 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.912 2.137 -2.916 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.402 1.701 -4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.976 3.972 -3.239 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.235 4.168 -3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.497 2.075 -2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.446 0.639 -2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.875 2.161 -1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.213 5.328 -5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.158 4.001 -5.685 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.926 3.802 -5.716 1.00 0.00 H new ATOM 359 N PHE A 23 -2.582 -0.305 -2.621 1.00 0.00 N ATOM 360 CA PHE A 23 -2.422 -1.702 -2.222 1.00 0.00 C ATOM 361 C PHE A 23 -3.097 -1.953 -0.875 1.00 0.00 C ATOM 362 O PHE A 23 -3.639 -1.041 -0.250 1.00 0.00 O ATOM 363 CB PHE A 23 -0.946 -2.163 -2.286 1.00 0.00 C ATOM 364 CG PHE A 23 0.141 -1.112 -2.306 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.429 -0.388 -1.151 1.00 0.00 C ATOM 366 CD2 PHE A 23 0.915 -0.902 -3.453 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.363 0.666 -1.180 1.00 0.00 C ATOM 368 CE2 PHE A 23 1.908 0.090 -3.477 1.00 0.00 C ATOM 369 CZ PHE A 23 2.106 0.906 -2.349 1.00 0.00 C ATOM 0 H PHE A 23 -2.057 0.330 -2.019 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.936 -2.333 -2.947 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.764 -2.811 -1.428 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.829 -2.777 -3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.068 -0.637 -0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.746 -1.510 -4.330 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.508 1.287 -0.308 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.517 0.226 -4.358 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.824 1.712 -2.381 1.00 0.00 H new ATOM 379 N GLU A 24 -3.152 -3.212 -0.442 1.00 0.00 N ATOM 380 CA GLU A 24 -3.654 -3.502 0.897 1.00 0.00 C ATOM 381 C GLU A 24 -2.570 -3.168 1.937 1.00 0.00 C ATOM 382 O GLU A 24 -1.392 -3.455 1.706 1.00 0.00 O ATOM 383 CB GLU A 24 -4.089 -4.962 0.999 1.00 0.00 C ATOM 384 CG GLU A 24 -5.041 -5.195 2.175 1.00 0.00 C ATOM 385 CD GLU A 24 -5.654 -6.597 2.097 1.00 0.00 C ATOM 386 OE1 GLU A 24 -4.973 -7.586 2.448 1.00 0.00 O ATOM 387 OE2 GLU A 24 -6.821 -6.712 1.666 1.00 0.00 O ATOM 0 H GLU A 24 -2.863 -4.027 -0.983 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.529 -2.883 1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.578 -5.260 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.209 -5.595 1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.502 -5.079 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.831 -4.445 2.165 1.00 0.00 H new ATOM 394 N LYS A 25 -2.955 -2.649 3.112 1.00 0.00 N ATOM 395 CA LYS A 25 -2.078 -2.439 4.271 1.00 0.00 C ATOM 396 C LYS A 25 -1.363 -3.742 4.587 1.00 0.00 C ATOM 397 O LYS A 25 -0.148 -3.765 4.742 1.00 0.00 O ATOM 398 CB LYS A 25 -2.895 -1.910 5.462 1.00 0.00 C ATOM 399 CG LYS A 25 -1.984 -1.596 6.659 1.00 0.00 C ATOM 400 CD LYS A 25 -2.747 -0.878 7.775 1.00 0.00 C ATOM 401 CE LYS A 25 -1.825 -0.695 8.987 1.00 0.00 C ATOM 402 NZ LYS A 25 -2.460 0.156 10.023 1.00 0.00 N ATOM 0 H LYS A 25 -3.916 -2.355 3.286 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.323 -1.685 4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.435 -1.011 5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.641 -2.649 5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.559 -2.522 7.046 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.151 -0.975 6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.100 0.091 7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.628 -1.455 8.058 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.582 -1.669 9.412 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.886 -0.243 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.834 0.220 10.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.623 1.108 9.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.369 -0.263 10.307 1.00 0.00 H new ATOM 416 N SER A 26 -2.127 -4.835 4.604 1.00 0.00 N ATOM 417 CA SER A 26 -1.617 -6.160 4.944 1.00 0.00 C ATOM 418 C SER A 26 -0.637 -6.734 3.909 1.00 0.00 C ATOM 419 O SER A 26 0.396 -7.282 4.293 1.00 0.00 O ATOM 420 CB SER A 26 -2.775 -7.130 5.183 1.00 0.00 C ATOM 421 OG SER A 26 -3.656 -6.599 6.164 1.00 0.00 O ATOM 0 H SER A 26 -3.122 -4.824 4.381 1.00 0.00 H new ATOM 0 HA SER A 26 -1.043 -6.037 5.863 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.315 -7.302 4.252 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.390 -8.095 5.512 1.00 0.00 H new ATOM 0 HG SER A 26 -3.756 -7.242 6.896 1.00 0.00 H new ATOM 427 N LEU A 27 -0.914 -6.601 2.602 1.00 0.00 N ATOM 428 CA LEU A 27 -0.046 -7.129 1.545 1.00 0.00 C ATOM 429 C LEU A 27 1.241 -6.303 1.411 1.00 0.00 C ATOM 430 O LEU A 27 2.324 -6.873 1.269 1.00 0.00 O ATOM 431 CB LEU A 27 -0.771 -7.181 0.188 1.00 0.00 C ATOM 432 CG LEU A 27 -2.049 -8.038 0.042 1.00 0.00 C ATOM 433 CD1 LEU A 27 -2.090 -8.655 -1.338 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.183 -9.191 1.042 1.00 0.00 C ATOM 0 H LEU A 27 -1.745 -6.125 2.252 1.00 0.00 H new ATOM 0 HA LEU A 27 0.218 -8.146 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.031 -6.158 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.054 -7.535 -0.553 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.866 -7.342 0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.992 -9.259 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.095 -7.866 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.213 -9.286 -1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.112 -9.729 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.340 -9.872 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.192 -8.793 2.057 1.00 0.00 H new ATOM 446 N LEU A 28 1.144 -4.971 1.504 1.00 0.00 N ATOM 447 CA LEU A 28 2.321 -4.103 1.519 1.00 0.00 C ATOM 448 C LEU A 28 3.179 -4.432 2.743 1.00 0.00 C ATOM 449 O LEU A 28 4.384 -4.611 2.603 1.00 0.00 O ATOM 450 CB LEU A 28 1.940 -2.619 1.533 1.00 0.00 C ATOM 451 CG LEU A 28 3.191 -1.705 1.480 1.00 0.00 C ATOM 452 CD1 LEU A 28 3.812 -1.646 0.084 1.00 0.00 C ATOM 453 CD2 LEU A 28 2.787 -0.323 1.966 1.00 0.00 C ATOM 0 H LEU A 28 0.257 -4.472 1.570 1.00 0.00 H new ATOM 0 HA LEU A 28 2.885 -4.286 0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.294 -2.401 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.367 -2.399 2.433 1.00 0.00 H new ATOM 0 HG LEU A 28 3.963 -2.120 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.684 -0.993 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.114 -2.647 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.080 -1.256 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.652 0.340 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.004 0.075 1.321 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.415 -0.391 2.988 1.00 0.00 H new ATOM 465 N GLU A 29 2.564 -4.539 3.929 1.00 0.00 N ATOM 466 CA GLU A 29 3.285 -4.855 5.173 1.00 0.00 C ATOM 467 C GLU A 29 4.064 -6.166 5.025 1.00 0.00 C ATOM 468 O GLU A 29 5.234 -6.224 5.391 1.00 0.00 O ATOM 469 CB GLU A 29 2.326 -4.928 6.376 1.00 0.00 C ATOM 470 CG GLU A 29 3.065 -5.037 7.721 1.00 0.00 C ATOM 471 CD GLU A 29 2.184 -5.705 8.791 1.00 0.00 C ATOM 472 OE1 GLU A 29 1.356 -5.016 9.434 1.00 0.00 O ATOM 473 OE2 GLU A 29 2.338 -6.935 9.007 1.00 0.00 O ATOM 0 H GLU A 29 1.560 -4.410 4.054 1.00 0.00 H new ATOM 0 HA GLU A 29 3.993 -4.048 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.693 -4.040 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.667 -5.788 6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.981 -5.613 7.589 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.359 -4.043 8.058 1.00 0.00 H new ATOM 480 N GLN A 30 3.450 -7.191 4.418 1.00 0.00 N ATOM 481 CA GLN A 30 4.099 -8.474 4.133 1.00 0.00 C ATOM 482 C GLN A 30 5.352 -8.290 3.263 1.00 0.00 C ATOM 483 O GLN A 30 6.443 -8.737 3.618 1.00 0.00 O ATOM 484 CB GLN A 30 3.089 -9.414 3.457 1.00 0.00 C ATOM 485 CG GLN A 30 3.576 -10.869 3.409 1.00 0.00 C ATOM 486 CD GLN A 30 2.539 -11.785 2.760 1.00 0.00 C ATOM 487 OE1 GLN A 30 1.737 -12.437 3.421 1.00 0.00 O ATOM 488 NE2 GLN A 30 2.508 -11.878 1.447 1.00 0.00 N ATOM 0 H GLN A 30 2.479 -7.150 4.109 1.00 0.00 H new ATOM 0 HA GLN A 30 4.428 -8.918 5.073 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.141 -9.370 3.994 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.897 -9.066 2.442 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.511 -10.923 2.851 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.788 -11.216 4.420 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.168 -11.343 0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.824 -12.485 0.995 1.00 0.00 H new ATOM 497 N TYR A 31 5.202 -7.589 2.139 1.00 0.00 N ATOM 498 CA TYR A 31 6.250 -7.371 1.137 1.00 0.00 C ATOM 499 C TYR A 31 7.408 -6.529 1.691 1.00 0.00 C ATOM 500 O TYR A 31 8.588 -6.775 1.417 1.00 0.00 O ATOM 501 CB TYR A 31 5.589 -6.704 -0.074 1.00 0.00 C ATOM 502 CG TYR A 31 6.483 -6.496 -1.280 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.012 -7.605 -1.963 1.00 0.00 C ATOM 504 CD2 TYR A 31 6.749 -5.198 -1.747 1.00 0.00 C ATOM 505 CE1 TYR A 31 7.763 -7.419 -3.144 1.00 0.00 C ATOM 506 CE2 TYR A 31 7.551 -5.019 -2.888 1.00 0.00 C ATOM 507 CZ TYR A 31 8.050 -6.120 -3.602 1.00 0.00 C ATOM 508 OH TYR A 31 8.796 -5.923 -4.724 1.00 0.00 O ATOM 0 H TYR A 31 4.319 -7.142 1.891 1.00 0.00 H new ATOM 0 HA TYR A 31 6.696 -8.322 0.848 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.735 -7.310 -0.378 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.198 -5.735 0.237 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.843 -8.602 -1.583 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.339 -4.342 -1.232 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.118 -8.276 -3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.787 -4.019 -3.220 1.00 0.00 H new ATOM 0 HH TYR A 31 8.891 -4.962 -4.889 1.00 0.00 H new ATOM 518 N VAL A 32 7.070 -5.560 2.541 1.00 0.00 N ATOM 519 CA VAL A 32 7.995 -4.570 3.098 1.00 0.00 C ATOM 520 C VAL A 32 8.602 -5.029 4.447 1.00 0.00 C ATOM 521 O VAL A 32 9.530 -4.418 4.970 1.00 0.00 O ATOM 522 CB VAL A 32 7.320 -3.181 3.068 1.00 0.00 C ATOM 523 CG1 VAL A 32 7.974 -2.049 3.859 1.00 0.00 C ATOM 524 CG2 VAL A 32 7.088 -2.731 1.620 1.00 0.00 C ATOM 0 H VAL A 32 6.113 -5.437 2.873 1.00 0.00 H new ATOM 0 HA VAL A 32 8.886 -4.474 2.477 1.00 0.00 H new ATOM 0 HB VAL A 32 6.386 -3.358 3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.388 -1.138 3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.017 -2.320 4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.984 -1.881 3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.612 -1.751 1.616 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.044 -2.672 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.443 -3.450 1.114 1.00 0.00 H new ATOM 534 N LYS A 33 8.148 -6.160 5.002 1.00 0.00 N ATOM 535 CA LYS A 33 8.803 -6.859 6.132 1.00 0.00 C ATOM 536 C LYS A 33 9.596 -8.079 5.627 1.00 0.00 C ATOM 537 O LYS A 33 10.418 -8.636 6.354 1.00 0.00 O ATOM 538 CB LYS A 33 7.835 -7.141 7.297 1.00 0.00 C ATOM 539 CG LYS A 33 6.905 -8.356 7.134 1.00 0.00 C ATOM 540 CD LYS A 33 5.846 -8.342 8.248 1.00 0.00 C ATOM 541 CE LYS A 33 4.820 -9.466 8.074 1.00 0.00 C ATOM 542 NZ LYS A 33 3.743 -9.367 9.093 1.00 0.00 N ATOM 0 H LYS A 33 7.302 -6.628 4.678 1.00 0.00 H new ATOM 0 HA LYS A 33 9.541 -6.191 6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.423 -7.280 8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.217 -6.256 7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.422 -8.329 6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.483 -9.279 7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.336 -8.444 9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.334 -7.380 8.250 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.386 -9.416 7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.317 -10.433 8.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.001 -10.064 8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.139 -9.557 10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.335 -8.411 9.075 1.00 0.00 H new ATOM 556 N ASP A 34 9.396 -8.440 4.354 1.00 0.00 N ATOM 557 CA ASP A 34 10.177 -9.410 3.577 1.00 0.00 C ATOM 558 C ASP A 34 11.514 -8.787 3.138 1.00 0.00 C ATOM 559 O ASP A 34 12.587 -9.264 3.514 1.00 0.00 O ATOM 560 CB ASP A 34 9.383 -9.836 2.326 1.00 0.00 C ATOM 561 CG ASP A 34 9.044 -11.337 2.331 1.00 0.00 C ATOM 562 OD1 ASP A 34 9.987 -12.165 2.386 1.00 0.00 O ATOM 563 OD2 ASP A 34 7.848 -11.701 2.253 1.00 0.00 O ATOM 0 H ASP A 34 8.637 -8.037 3.805 1.00 0.00 H new ATOM 0 HA ASP A 34 10.374 -10.281 4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.461 -9.258 2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.962 -9.600 1.433 1.00 0.00 H new ATOM 568 N THR A 35 11.438 -7.711 2.341 1.00 0.00 N ATOM 569 CA THR A 35 12.598 -6.997 1.769 1.00 0.00 C ATOM 570 C THR A 35 12.547 -5.487 1.975 1.00 0.00 C ATOM 571 O THR A 35 13.574 -4.818 1.843 1.00 0.00 O ATOM 572 CB THR A 35 12.791 -7.287 0.272 1.00 0.00 C ATOM 573 OG1 THR A 35 11.754 -6.709 -0.498 1.00 0.00 O ATOM 574 CG2 THR A 35 12.863 -8.773 -0.076 1.00 0.00 C ATOM 0 H THR A 35 10.546 -7.299 2.067 1.00 0.00 H new ATOM 0 HA THR A 35 13.450 -7.388 2.324 1.00 0.00 H new ATOM 0 HB THR A 35 13.756 -6.840 0.032 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.709 -7.152 -1.371 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.000 -8.889 -1.151 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.703 -9.229 0.448 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.938 -9.263 0.227 1.00 0.00 H new ATOM 582 N GLY A 36 11.378 -4.927 2.310 1.00 0.00 N ATOM 583 CA GLY A 36 11.207 -3.493 2.521 1.00 0.00 C ATOM 584 C GLY A 36 10.892 -2.722 1.248 1.00 0.00 C ATOM 585 O GLY A 36 10.357 -1.625 1.325 1.00 0.00 O ATOM 0 H GLY A 36 10.521 -5.464 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.404 -3.334 3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.117 -3.089 2.965 1.00 0.00 H new ATOM 589 N ASN A 37 11.182 -3.274 0.078 1.00 0.00 N ATOM 590 CA ASN A 37 11.096 -2.536 -1.180 1.00 0.00 C ATOM 591 C ASN A 37 9.650 -2.139 -1.556 1.00 0.00 C ATOM 592 O ASN A 37 8.704 -2.857 -1.246 1.00 0.00 O ATOM 593 CB ASN A 37 11.755 -3.399 -2.263 1.00 0.00 C ATOM 594 CG ASN A 37 13.233 -3.624 -1.992 1.00 0.00 C ATOM 595 OD1 ASN A 37 14.026 -2.699 -1.892 1.00 0.00 O ATOM 596 ND2 ASN A 37 13.649 -4.860 -1.848 1.00 0.00 N ATOM 0 H ASN A 37 11.483 -4.243 -0.029 1.00 0.00 H new ATOM 0 HA ASN A 37 11.620 -1.586 -1.076 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.246 -4.361 -2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.634 -2.918 -3.233 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.632 -5.048 -1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.989 -5.633 -1.931 1.00 0.00 H new ATOM 603 N ASP A 38 9.460 -1.012 -2.244 1.00 0.00 N ATOM 604 CA ASP A 38 8.179 -0.633 -2.859 1.00 0.00 C ATOM 605 C ASP A 38 7.877 -1.519 -4.093 1.00 0.00 C ATOM 606 O ASP A 38 8.801 -1.816 -4.857 1.00 0.00 O ATOM 607 CB ASP A 38 8.208 0.843 -3.273 1.00 0.00 C ATOM 608 CG ASP A 38 7.906 1.747 -2.076 1.00 0.00 C ATOM 609 OD1 ASP A 38 6.707 1.941 -1.769 1.00 0.00 O ATOM 610 OD2 ASP A 38 8.856 2.264 -1.447 1.00 0.00 O ATOM 0 H ASP A 38 10.199 -0.325 -2.394 1.00 0.00 H new ATOM 0 HA ASP A 38 7.390 -0.784 -2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.186 1.091 -3.685 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.476 1.019 -4.062 1.00 0.00 H new ATOM 615 N PRO A 39 6.624 -1.951 -4.344 1.00 0.00 N ATOM 616 CA PRO A 39 6.291 -2.962 -5.369 1.00 0.00 C ATOM 617 C PRO A 39 6.647 -2.638 -6.834 1.00 0.00 C ATOM 618 O PRO A 39 6.568 -3.534 -7.677 1.00 0.00 O ATOM 619 CB PRO A 39 4.771 -3.131 -5.276 1.00 0.00 C ATOM 620 CG PRO A 39 4.441 -2.724 -3.849 1.00 0.00 C ATOM 621 CD PRO A 39 5.440 -1.618 -3.561 1.00 0.00 C ATOM 0 HA PRO A 39 6.893 -3.843 -5.149 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.255 -2.501 -6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.471 -4.159 -5.477 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.414 -2.371 -3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.554 -3.558 -3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.041 -0.645 -3.847 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.674 -1.567 -2.498 1.00 0.00 H new ATOM 629 N ILE A 40 7.005 -1.388 -7.163 1.00 0.00 N ATOM 630 CA ILE A 40 7.149 -0.899 -8.553 1.00 0.00 C ATOM 631 C ILE A 40 8.486 -0.184 -8.785 1.00 0.00 C ATOM 632 O ILE A 40 9.139 -0.417 -9.805 1.00 0.00 O ATOM 633 CB ILE A 40 5.926 -0.013 -8.908 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.667 -0.890 -9.119 1.00 0.00 C ATOM 635 CG2 ILE A 40 6.146 0.846 -10.169 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.369 -0.155 -8.781 1.00 0.00 C ATOM 0 H ILE A 40 7.207 -0.673 -6.464 1.00 0.00 H new ATOM 0 HA ILE A 40 7.166 -1.754 -9.229 1.00 0.00 H new ATOM 0 HB ILE A 40 5.788 0.662 -8.064 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.631 -1.223 -10.156 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.745 -1.784 -8.500 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.254 1.442 -10.363 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.998 1.508 -10.014 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.341 0.196 -11.022 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.521 -0.819 -8.948 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.388 0.154 -7.736 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.272 0.724 -9.418 1.00 0.00 H new ATOM 648 N THR A 41 8.922 0.662 -7.846 1.00 0.00 N ATOM 649 CA THR A 41 10.235 1.336 -7.896 1.00 0.00 C ATOM 650 C THR A 41 11.346 0.486 -7.280 1.00 0.00 C ATOM 651 O THR A 41 12.525 0.754 -7.514 1.00 0.00 O ATOM 652 CB THR A 41 10.205 2.697 -7.189 1.00 0.00 C ATOM 653 OG1 THR A 41 9.414 2.599 -6.036 1.00 0.00 O ATOM 654 CG2 THR A 41 9.572 3.777 -8.065 1.00 0.00 C ATOM 0 H THR A 41 8.373 0.904 -7.021 1.00 0.00 H new ATOM 0 HA THR A 41 10.449 1.484 -8.954 1.00 0.00 H new ATOM 0 HB THR A 41 11.236 2.966 -6.961 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.524 2.967 -6.217 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.570 4.726 -7.528 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.147 3.882 -8.985 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.547 3.495 -8.307 1.00 0.00 H new ATOM 662 N ASN A 42 10.981 -0.539 -6.496 1.00 0.00 N ATOM 663 CA ASN A 42 11.826 -1.361 -5.642 1.00 0.00 C ATOM 664 C ASN A 42 12.873 -0.583 -4.831 1.00 0.00 C ATOM 665 O ASN A 42 13.953 -1.101 -4.538 1.00 0.00 O ATOM 666 CB ASN A 42 12.297 -2.609 -6.401 1.00 0.00 C ATOM 667 CG ASN A 42 13.332 -2.372 -7.493 1.00 0.00 C ATOM 668 OD1 ASN A 42 13.064 -2.510 -8.679 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.556 -2.052 -7.140 1.00 0.00 N ATOM 0 H ASN A 42 10.005 -0.832 -6.445 1.00 0.00 H new ATOM 0 HA ASN A 42 11.220 -1.744 -4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.712 -3.314 -5.680 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.427 -3.088 -6.850 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.274 -1.921 -7.852 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.788 -1.935 -6.154 1.00 0.00 H new ATOM 676 N GLU A 43 12.543 0.653 -4.440 1.00 0.00 N ATOM 677 CA GLU A 43 13.381 1.380 -3.468 1.00 0.00 C ATOM 678 C GLU A 43 13.040 0.928 -2.029 1.00 0.00 C ATOM 679 O GLU A 43 11.878 0.605 -1.764 1.00 0.00 O ATOM 680 CB GLU A 43 13.305 2.902 -3.654 1.00 0.00 C ATOM 681 CG GLU A 43 11.924 3.526 -3.455 1.00 0.00 C ATOM 682 CD GLU A 43 12.055 5.047 -3.279 1.00 0.00 C ATOM 683 OE1 GLU A 43 12.286 5.774 -4.277 1.00 0.00 O ATOM 684 OE2 GLU A 43 11.936 5.517 -2.121 1.00 0.00 O ATOM 0 H GLU A 43 11.724 1.164 -4.769 1.00 0.00 H new ATOM 0 HA GLU A 43 14.424 1.123 -3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 43 13.999 3.370 -2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.652 3.145 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.289 3.304 -4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.442 3.091 -2.580 1.00 0.00 H new ATOM 691 N PRO A 44 14.010 0.868 -1.095 1.00 0.00 N ATOM 692 CA PRO A 44 13.808 0.248 0.219 1.00 0.00 C ATOM 693 C PRO A 44 12.923 1.070 1.170 1.00 0.00 C ATOM 694 O PRO A 44 13.044 2.295 1.258 1.00 0.00 O ATOM 695 CB PRO A 44 15.215 0.047 0.794 1.00 0.00 C ATOM 696 CG PRO A 44 16.037 1.142 0.119 1.00 0.00 C ATOM 697 CD PRO A 44 15.410 1.228 -1.271 1.00 0.00 C ATOM 0 HA PRO A 44 13.264 -0.690 0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.223 0.150 1.879 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.604 -0.945 0.565 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.966 2.089 0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.094 0.882 0.070 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.507 2.233 -1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.904 0.549 -1.966 1.00 0.00 H new ATOM 705 N LEU A 45 12.109 0.342 1.945 1.00 0.00 N ATOM 706 CA LEU A 45 11.135 0.770 2.970 1.00 0.00 C ATOM 707 C LEU A 45 9.936 1.582 2.433 1.00 0.00 C ATOM 708 O LEU A 45 10.085 2.549 1.686 1.00 0.00 O ATOM 709 CB LEU A 45 11.834 1.430 4.176 1.00 0.00 C ATOM 710 CG LEU A 45 12.688 0.444 4.998 1.00 0.00 C ATOM 711 CD1 LEU A 45 13.620 1.216 5.933 1.00 0.00 C ATOM 712 CD2 LEU A 45 11.827 -0.485 5.859 1.00 0.00 C ATOM 0 H LEU A 45 12.114 -0.675 1.864 1.00 0.00 H new ATOM 0 HA LEU A 45 10.670 -0.148 3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.469 2.241 3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.080 1.876 4.825 1.00 0.00 H new ATOM 0 HG LEU A 45 13.253 -0.155 4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.220 0.513 6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.277 1.856 5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.028 1.830 6.611 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.471 -1.162 6.420 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.233 0.109 6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.163 -1.065 5.217 1.00 0.00 H new ATOM 724 N SER A 46 8.728 1.189 2.867 1.00 0.00 N ATOM 725 CA SER A 46 7.426 1.684 2.385 1.00 0.00 C ATOM 726 C SER A 46 6.517 2.109 3.530 1.00 0.00 C ATOM 727 O SER A 46 6.022 3.229 3.573 1.00 0.00 O ATOM 728 CB SER A 46 6.703 0.671 1.510 1.00 0.00 C ATOM 729 OG SER A 46 5.783 1.338 0.669 1.00 0.00 O ATOM 0 H SER A 46 8.626 0.485 3.598 1.00 0.00 H new ATOM 0 HA SER A 46 7.655 2.558 1.775 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.423 0.116 0.909 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.181 -0.055 2.133 1.00 0.00 H new ATOM 0 HG SER A 46 6.253 1.689 -0.117 1.00 0.00 H new ATOM 735 N ILE A 47 6.337 1.214 4.504 1.00 0.00 N ATOM 736 CA ILE A 47 5.565 1.420 5.732 1.00 0.00 C ATOM 737 C ILE A 47 6.082 2.564 6.620 1.00 0.00 C ATOM 738 O ILE A 47 5.300 3.305 7.211 1.00 0.00 O ATOM 739 CB ILE A 47 5.423 0.072 6.482 1.00 0.00 C ATOM 740 CG1 ILE A 47 4.278 0.054 7.514 1.00 0.00 C ATOM 741 CG2 ILE A 47 6.735 -0.353 7.167 1.00 0.00 C ATOM 742 CD1 ILE A 47 2.895 0.058 6.852 1.00 0.00 C ATOM 0 H ILE A 47 6.745 0.281 4.456 1.00 0.00 H new ATOM 0 HA ILE A 47 4.571 1.764 5.444 1.00 0.00 H new ATOM 0 HB ILE A 47 5.175 -0.648 5.703 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.374 -0.830 8.144 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.368 0.922 8.167 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.586 -1.303 7.680 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.518 -0.464 6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.031 0.407 7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.123 0.045 7.622 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.785 0.956 6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.792 -0.824 6.220 1.00 0.00 H new ATOM 754 N GLU A 48 7.391 2.804 6.608 1.00 0.00 N ATOM 755 CA GLU A 48 8.043 3.961 7.227 1.00 0.00 C ATOM 756 C GLU A 48 7.718 5.275 6.489 1.00 0.00 C ATOM 757 O GLU A 48 8.028 6.362 6.977 1.00 0.00 O ATOM 758 CB GLU A 48 9.567 3.737 7.269 1.00 0.00 C ATOM 759 CG GLU A 48 9.997 2.552 8.148 1.00 0.00 C ATOM 760 CD GLU A 48 9.667 2.782 9.637 1.00 0.00 C ATOM 761 OE1 GLU A 48 10.420 3.515 10.325 1.00 0.00 O ATOM 762 OE2 GLU A 48 8.658 2.229 10.138 1.00 0.00 O ATOM 0 H GLU A 48 8.053 2.177 6.151 1.00 0.00 H new ATOM 0 HA GLU A 48 7.656 4.057 8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.929 3.574 6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.048 4.643 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.499 1.646 7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.069 2.389 8.036 1.00 0.00 H new ATOM 769 N GLU A 49 7.063 5.179 5.328 1.00 0.00 N ATOM 770 CA GLU A 49 6.673 6.300 4.453 1.00 0.00 C ATOM 771 C GLU A 49 5.172 6.269 4.094 1.00 0.00 C ATOM 772 O GLU A 49 4.714 6.985 3.198 1.00 0.00 O ATOM 773 CB GLU A 49 7.555 6.302 3.188 1.00 0.00 C ATOM 774 CG GLU A 49 9.065 6.449 3.443 1.00 0.00 C ATOM 775 CD GLU A 49 9.468 7.774 4.132 1.00 0.00 C ATOM 776 OE1 GLU A 49 8.793 8.815 3.935 1.00 0.00 O ATOM 777 OE2 GLU A 49 10.508 7.798 4.835 1.00 0.00 O ATOM 0 H GLU A 49 6.774 4.276 4.951 1.00 0.00 H new ATOM 0 HA GLU A 49 6.835 7.228 5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.383 5.374 2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.231 7.116 2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.400 5.615 4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.591 6.373 2.492 1.00 0.00 H new ATOM 784 N ILE A 50 4.403 5.419 4.782 1.00 0.00 N ATOM 785 CA ILE A 50 3.016 5.074 4.468 1.00 0.00 C ATOM 786 C ILE A 50 2.035 6.257 4.443 1.00 0.00 C ATOM 787 O ILE A 50 2.103 7.198 5.236 1.00 0.00 O ATOM 788 CB ILE A 50 2.549 3.962 5.432 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.358 3.145 4.904 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.242 4.467 6.851 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.756 2.312 3.681 1.00 0.00 C ATOM 0 H ILE A 50 4.747 4.932 5.609 1.00 0.00 H new ATOM 0 HA ILE A 50 3.007 4.717 3.438 1.00 0.00 H new ATOM 0 HB ILE A 50 3.411 3.298 5.489 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.988 2.487 5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.541 3.817 4.640 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.920 3.632 7.473 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.139 4.914 7.280 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.449 5.214 6.808 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.893 1.745 3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.103 2.974 2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.556 1.624 3.954 1.00 0.00 H new ATOM 803 N VAL A 51 1.073 6.141 3.532 1.00 0.00 N ATOM 804 CA VAL A 51 -0.130 6.976 3.387 1.00 0.00 C ATOM 805 C VAL A 51 -1.365 6.072 3.493 1.00 0.00 C ATOM 806 O VAL A 51 -1.792 5.460 2.513 1.00 0.00 O ATOM 807 CB VAL A 51 -0.112 7.789 2.077 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.305 8.753 2.007 1.00 0.00 C ATOM 809 CG2 VAL A 51 1.168 8.627 1.930 1.00 0.00 C ATOM 0 H VAL A 51 1.110 5.410 2.821 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.158 7.715 4.188 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.162 7.055 1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.266 9.313 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.235 8.185 2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.263 9.446 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.134 9.182 0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.243 9.326 2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.036 7.968 1.931 1.00 0.00 H new ATOM 819 N GLU A 52 -1.912 5.905 4.698 1.00 0.00 N ATOM 820 CA GLU A 52 -3.053 5.005 4.928 1.00 0.00 C ATOM 821 C GLU A 52 -4.374 5.640 4.451 1.00 0.00 C ATOM 822 O GLU A 52 -4.842 6.636 5.010 1.00 0.00 O ATOM 823 CB GLU A 52 -3.145 4.535 6.392 1.00 0.00 C ATOM 824 CG GLU A 52 -1.821 4.058 7.005 1.00 0.00 C ATOM 825 CD GLU A 52 -2.009 3.711 8.493 1.00 0.00 C ATOM 826 OE1 GLU A 52 -2.583 2.638 8.801 1.00 0.00 O ATOM 827 OE2 GLU A 52 -1.588 4.505 9.369 1.00 0.00 O ATOM 0 H GLU A 52 -1.584 6.383 5.537 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.878 4.113 4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.534 5.354 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.869 3.723 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.458 3.184 6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.064 4.835 6.900 1.00 0.00 H new ATOM 834 N ILE A 53 -4.972 5.075 3.394 1.00 0.00 N ATOM 835 CA ILE A 53 -6.214 5.557 2.762 1.00 0.00 C ATOM 836 C ILE A 53 -7.470 5.065 3.519 1.00 0.00 C ATOM 837 O ILE A 53 -8.552 5.628 3.349 1.00 0.00 O ATOM 838 CB ILE A 53 -6.221 5.141 1.263 1.00 0.00 C ATOM 839 CG1 ILE A 53 -4.930 5.538 0.502 1.00 0.00 C ATOM 840 CG2 ILE A 53 -7.443 5.668 0.490 1.00 0.00 C ATOM 841 CD1 ILE A 53 -4.617 7.040 0.481 1.00 0.00 C ATOM 0 H ILE A 53 -4.595 4.244 2.939 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.245 6.645 2.816 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.275 4.053 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.087 5.014 0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.011 5.186 -0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.385 5.342 -0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.355 5.279 0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.455 6.757 0.528 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.695 7.212 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.436 7.576 0.001 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.497 7.401 1.502 1.00 0.00 H new