USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 426 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 43 THR OG1 : rot -46:sc= 1.63 USER MOD Set 1.2: A 51 LYS NZ :NH3+ -165:sc= 1.02 (180deg=0) USER MOD Set 2.1: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 25 TYR OH : rot 180:sc= -0.867 USER MOD Set 2.3: A 29 THR OG1 : rot -136:sc= 0.885 USER MOD Set 2.4: A 31 THR OG1 : rot 180:sc= 0.761 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -157:sc= -0.0468 (180deg=-0.318) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.2 K(o=0.2,f=-7.4!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 142:sc= 0.69 (180deg=-0.028) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 26 ASN : amide:sc= -4.72! K(o=-4.7!,f=-1.1) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 62:sc= 1.03 USER MOD Single : A 42 THR OG1 : rot -78:sc= 1.12 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -5.28 K(o=-5.3,f=-2.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -0.0997 K(o=-0.1,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 11.862 5.758 8.628 1.00 0.00 N ATOM 2 CA ARG A 1 10.592 5.059 8.310 1.00 0.00 C ATOM 3 C ARG A 1 10.767 4.222 7.043 1.00 0.00 C ATOM 4 O ARG A 1 11.321 3.127 7.108 1.00 0.00 O ATOM 5 CB ARG A 1 9.477 6.119 8.164 1.00 0.00 C ATOM 6 CG ARG A 1 8.058 5.562 8.122 1.00 0.00 C ATOM 7 CD ARG A 1 7.033 6.639 8.448 1.00 0.00 C ATOM 8 NE ARG A 1 5.663 6.131 8.413 1.00 0.00 N ATOM 9 CZ ARG A 1 4.599 6.872 8.733 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.757 8.130 9.119 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.381 6.356 8.669 1.00 0.00 N ATOM 0 H1 ARG A 1 11.739 6.326 9.490 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.615 5.057 8.780 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.123 6.381 7.837 1.00 0.00 H new ATOM 0 HA ARG A 1 10.312 4.372 9.109 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.552 6.819 8.996 1.00 0.00 H new ATOM 0 HB3 ARG A 1 9.655 6.688 7.251 1.00 0.00 H new ATOM 0 HG2 ARG A 1 7.855 5.151 7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 1 7.966 4.741 8.833 1.00 0.00 H new ATOM 0 HD2 ARG A 1 7.241 7.048 9.437 1.00 0.00 H new ATOM 0 HD3 ARG A 1 7.132 7.459 7.737 1.00 0.00 H new ATOM 0 HE ARG A 1 5.512 5.163 8.130 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.692 8.534 9.172 1.00 0.00 H new ATOM 0 HH12 ARG A 1 3.943 8.695 9.363 1.00 0.00 H new ATOM 0 HH21 ARG A 1 3.252 5.388 8.374 1.00 0.00 H new ATOM 0 HH22 ARG A 1 2.572 6.926 8.915 1.00 0.00 H new ATOM 27 N ILE A 2 10.299 4.753 5.905 1.00 0.00 N ATOM 28 CA ILE A 2 10.392 4.086 4.581 1.00 0.00 C ATOM 29 C ILE A 2 10.205 2.547 4.653 1.00 0.00 C ATOM 30 O ILE A 2 11.063 1.770 4.226 1.00 0.00 O ATOM 31 CB ILE A 2 11.738 4.434 3.855 1.00 0.00 C ATOM 32 CG1 ILE A 2 11.777 3.813 2.452 1.00 0.00 C ATOM 33 CG2 ILE A 2 12.933 3.975 4.677 1.00 0.00 C ATOM 34 CD1 ILE A 2 13.100 4.011 1.745 1.00 0.00 C ATOM 0 H ILE A 2 9.841 5.663 5.868 1.00 0.00 H new ATOM 0 HA ILE A 2 9.561 4.481 3.997 1.00 0.00 H new ATOM 0 HB ILE A 2 11.793 5.518 3.751 1.00 0.00 H new ATOM 0 HG12 ILE A 2 11.571 2.745 2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 2 10.981 4.249 1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 2 13.854 4.228 4.152 1.00 0.00 H new ATOM 0 HG22 ILE A 2 12.920 4.472 5.647 1.00 0.00 H new ATOM 0 HG23 ILE A 2 12.882 2.896 4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 2 13.059 3.548 0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 2 13.299 5.077 1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 2 13.897 3.551 2.329 1.00 0.00 H new ATOM 46 N PRO A 3 9.075 2.069 5.195 1.00 0.00 N ATOM 47 CA PRO A 3 8.796 0.640 5.306 1.00 0.00 C ATOM 48 C PRO A 3 8.161 0.113 4.020 1.00 0.00 C ATOM 49 O PRO A 3 7.201 -0.661 4.048 1.00 0.00 O ATOM 50 CB PRO A 3 7.802 0.571 6.479 1.00 0.00 C ATOM 51 CG PRO A 3 7.610 1.989 6.931 1.00 0.00 C ATOM 52 CD PRO A 3 7.973 2.843 5.751 1.00 0.00 C ATOM 0 HA PRO A 3 9.689 0.036 5.466 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.857 0.128 6.166 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.192 -0.048 7.287 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.580 2.166 7.240 1.00 0.00 H new ATOM 0 HG3 PRO A 3 8.243 2.216 7.789 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.147 2.953 5.048 1.00 0.00 H new ATOM 0 HD3 PRO A 3 8.278 3.848 6.044 1.00 0.00 H new ATOM 60 N VAL A 4 8.703 0.574 2.900 1.00 0.00 N ATOM 61 CA VAL A 4 8.227 0.212 1.574 1.00 0.00 C ATOM 62 C VAL A 4 9.424 -0.146 0.689 1.00 0.00 C ATOM 63 O VAL A 4 10.539 0.312 0.948 1.00 0.00 O ATOM 64 CB VAL A 4 7.447 1.401 0.940 1.00 0.00 C ATOM 65 CG1 VAL A 4 6.925 1.047 -0.436 1.00 0.00 C ATOM 66 CG2 VAL A 4 6.298 1.845 1.839 1.00 0.00 C ATOM 0 H VAL A 4 9.495 1.217 2.888 1.00 0.00 H new ATOM 0 HA VAL A 4 7.558 -0.645 1.655 1.00 0.00 H new ATOM 0 HB VAL A 4 8.148 2.230 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.385 1.898 -0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.761 0.795 -1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.252 0.193 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.771 2.677 1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.608 1.014 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.693 2.162 2.804 1.00 0.00 H new ATOM 76 N LYS A 5 9.212 -0.952 -0.351 1.00 0.00 N ATOM 77 CA LYS A 5 10.314 -1.321 -1.236 1.00 0.00 C ATOM 78 C LYS A 5 9.874 -1.318 -2.698 1.00 0.00 C ATOM 79 O LYS A 5 10.145 -0.370 -3.437 1.00 0.00 O ATOM 80 CB LYS A 5 10.887 -2.704 -0.862 1.00 0.00 C ATOM 81 CG LYS A 5 12.382 -2.854 -1.147 1.00 0.00 C ATOM 82 CD LYS A 5 12.728 -2.590 -2.608 1.00 0.00 C ATOM 83 CE LYS A 5 14.100 -1.952 -2.748 1.00 0.00 C ATOM 84 NZ LYS A 5 14.121 -0.560 -2.214 1.00 0.00 N ATOM 0 H LYS A 5 8.308 -1.354 -0.597 1.00 0.00 H new ATOM 0 HA LYS A 5 11.096 -0.573 -1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.709 -2.885 0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.344 -3.472 -1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.940 -2.164 -0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.700 -3.861 -0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.703 -3.527 -3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.975 -1.937 -3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.837 -2.556 -2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.391 -1.943 -3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.901 -0.031 -2.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.219 -0.091 -2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.258 -0.586 -1.183 1.00 0.00 H new ATOM 98 N TYR A 6 9.235 -2.401 -3.118 1.00 0.00 N ATOM 99 CA TYR A 6 8.802 -2.550 -4.501 1.00 0.00 C ATOM 100 C TYR A 6 7.613 -1.656 -4.822 1.00 0.00 C ATOM 101 O TYR A 6 6.810 -1.334 -3.952 1.00 0.00 O ATOM 102 CB TYR A 6 8.489 -4.022 -4.797 1.00 0.00 C ATOM 103 CG TYR A 6 9.713 -4.915 -4.690 1.00 0.00 C ATOM 104 CD1 TYR A 6 10.334 -5.142 -3.466 1.00 0.00 C ATOM 105 CD2 TYR A 6 10.264 -5.510 -5.819 1.00 0.00 C ATOM 106 CE1 TYR A 6 11.457 -5.930 -3.371 1.00 0.00 C ATOM 107 CE2 TYR A 6 11.388 -6.306 -5.726 1.00 0.00 C ATOM 108 CZ TYR A 6 11.979 -6.513 -4.502 1.00 0.00 C ATOM 109 OH TYR A 6 13.099 -7.299 -4.408 1.00 0.00 O ATOM 0 H TYR A 6 9.004 -3.193 -2.518 1.00 0.00 H new ATOM 0 HA TYR A 6 9.619 -2.230 -5.148 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.726 -4.374 -4.102 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.070 -4.106 -5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.926 -4.691 -2.573 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.806 -5.347 -6.783 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.927 -6.090 -2.412 1.00 0.00 H new ATOM 0 HE2 TYR A 6 11.802 -6.765 -6.612 1.00 0.00 H new ATOM 0 HH TYR A 6 13.338 -7.636 -5.297 1.00 0.00 H new ATOM 119 N GLY A 7 7.537 -1.249 -6.080 1.00 0.00 N ATOM 120 CA GLY A 7 6.485 -0.370 -6.554 1.00 0.00 C ATOM 121 C GLY A 7 7.066 0.932 -7.028 1.00 0.00 C ATOM 122 O GLY A 7 8.214 0.972 -7.471 1.00 0.00 O ATOM 0 H GLY A 7 8.206 -1.521 -6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.940 -0.850 -7.367 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.768 -0.186 -5.754 1.00 0.00 H new ATOM 126 N ASN A 8 6.298 1.996 -6.951 1.00 0.00 N ATOM 127 CA ASN A 8 6.797 3.290 -7.398 1.00 0.00 C ATOM 128 C ASN A 8 6.862 4.305 -6.259 1.00 0.00 C ATOM 129 O ASN A 8 6.990 5.508 -6.496 1.00 0.00 O ATOM 130 CB ASN A 8 5.972 3.835 -8.569 1.00 0.00 C ATOM 131 CG ASN A 8 4.538 4.165 -8.204 1.00 0.00 C ATOM 132 OD1 ASN A 8 3.903 3.479 -7.396 1.00 0.00 O ATOM 133 ND2 ASN A 8 3.997 5.195 -8.839 1.00 0.00 N ATOM 0 H ASN A 8 5.343 2.000 -6.592 1.00 0.00 H new ATOM 0 HA ASN A 8 7.816 3.129 -7.749 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.455 4.733 -8.955 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.973 3.101 -9.375 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.023 5.445 -8.668 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.554 5.737 -9.499 1.00 0.00 H new ATOM 140 N ALA A 9 6.801 3.807 -5.026 1.00 0.00 N ATOM 141 CA ALA A 9 6.881 4.646 -3.835 1.00 0.00 C ATOM 142 C ALA A 9 8.292 4.591 -3.251 1.00 0.00 C ATOM 143 O ALA A 9 8.472 4.349 -2.059 1.00 0.00 O ATOM 144 CB ALA A 9 5.864 4.187 -2.797 1.00 0.00 C ATOM 0 H ALA A 9 6.695 2.812 -4.826 1.00 0.00 H new ATOM 0 HA ALA A 9 6.654 5.675 -4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.934 4.821 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.860 4.257 -3.215 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.069 3.153 -2.519 1.00 0.00 H new ATOM 150 N ASP A 10 9.291 4.793 -4.110 1.00 0.00 N ATOM 151 CA ASP A 10 10.691 4.749 -3.692 1.00 0.00 C ATOM 152 C ASP A 10 11.000 5.863 -2.709 1.00 0.00 C ATOM 153 O ASP A 10 11.073 7.034 -3.090 1.00 0.00 O ATOM 154 CB ASP A 10 11.624 4.869 -4.900 1.00 0.00 C ATOM 155 CG ASP A 10 11.456 3.739 -5.883 1.00 0.00 C ATOM 156 OD1 ASP A 10 10.414 3.696 -6.565 1.00 0.00 O ATOM 157 OD2 ASP A 10 12.368 2.892 -5.971 1.00 0.00 O ATOM 0 H ASP A 10 9.156 4.989 -5.102 1.00 0.00 H new ATOM 0 HA ASP A 10 10.856 3.788 -3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.435 5.816 -5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.657 4.893 -4.554 1.00 0.00 H new ATOM 162 N GLY A 11 11.180 5.501 -1.447 1.00 0.00 N ATOM 163 CA GLY A 11 11.480 6.488 -0.427 1.00 0.00 C ATOM 164 C GLY A 11 10.264 6.877 0.385 1.00 0.00 C ATOM 165 O GLY A 11 10.389 7.449 1.469 1.00 0.00 O ATOM 0 H GLY A 11 11.124 4.540 -1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.246 6.093 0.240 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.896 7.378 -0.899 1.00 0.00 H new ATOM 169 N GLU A 12 9.085 6.565 -0.135 1.00 0.00 N ATOM 170 CA GLU A 12 7.841 6.883 0.547 1.00 0.00 C ATOM 171 C GLU A 12 7.514 5.846 1.619 1.00 0.00 C ATOM 172 O GLU A 12 8.082 4.753 1.643 1.00 0.00 O ATOM 173 CB GLU A 12 6.700 7.009 -0.466 1.00 0.00 C ATOM 174 CG GLU A 12 6.600 8.394 -1.092 1.00 0.00 C ATOM 175 CD GLU A 12 5.607 8.469 -2.233 1.00 0.00 C ATOM 176 OE1 GLU A 12 5.125 7.417 -2.679 1.00 0.00 O ATOM 177 OE2 GLU A 12 5.321 9.590 -2.692 1.00 0.00 O ATOM 0 H GLU A 12 8.965 6.090 -1.030 1.00 0.00 H new ATOM 0 HA GLU A 12 7.963 7.842 1.051 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.841 6.271 -1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.757 6.772 0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.314 9.112 -0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.583 8.692 -1.456 1.00 0.00 H new ATOM 184 N TYR A 13 6.620 6.213 2.525 1.00 0.00 N ATOM 185 CA TYR A 13 6.227 5.358 3.620 1.00 0.00 C ATOM 186 C TYR A 13 4.759 4.962 3.511 1.00 0.00 C ATOM 187 O TYR A 13 4.003 5.592 2.781 1.00 0.00 O ATOM 188 CB TYR A 13 6.505 6.103 4.911 1.00 0.00 C ATOM 189 CG TYR A 13 5.725 7.382 5.064 1.00 0.00 C ATOM 190 CD1 TYR A 13 4.369 7.362 5.351 1.00 0.00 C ATOM 191 CD2 TYR A 13 6.352 8.605 4.925 1.00 0.00 C ATOM 192 CE1 TYR A 13 3.655 8.533 5.495 1.00 0.00 C ATOM 193 CE2 TYR A 13 5.649 9.785 5.068 1.00 0.00 C ATOM 194 CZ TYR A 13 4.298 9.744 5.354 1.00 0.00 C ATOM 195 OH TYR A 13 3.585 10.913 5.491 1.00 0.00 O ATOM 0 H TYR A 13 6.148 7.117 2.516 1.00 0.00 H new ATOM 0 HA TYR A 13 6.799 4.430 3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.277 5.448 5.752 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.570 6.331 4.964 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.864 6.414 5.464 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.408 8.639 4.701 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.599 8.501 5.717 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.152 10.734 4.957 1.00 0.00 H new ATOM 0 HH TYR A 13 4.184 11.678 5.364 1.00 0.00 H new ATOM 205 N CYS A 14 4.346 3.945 4.257 1.00 0.00 N ATOM 206 CA CYS A 14 2.956 3.524 4.240 1.00 0.00 C ATOM 207 C CYS A 14 2.118 4.515 5.023 1.00 0.00 C ATOM 208 O CYS A 14 2.321 4.696 6.225 1.00 0.00 O ATOM 209 CB CYS A 14 2.796 2.125 4.829 1.00 0.00 C ATOM 210 SG CYS A 14 3.531 0.793 3.824 1.00 0.00 S ATOM 0 H CYS A 14 4.949 3.402 4.875 1.00 0.00 H new ATOM 0 HA CYS A 14 2.617 3.493 3.205 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.250 2.108 5.820 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.734 1.919 4.961 1.00 0.00 H new ATOM 215 N LYS A 15 1.192 5.166 4.342 1.00 0.00 N ATOM 216 CA LYS A 15 0.334 6.150 4.978 1.00 0.00 C ATOM 217 C LYS A 15 -0.891 5.460 5.555 1.00 0.00 C ATOM 218 O LYS A 15 -1.717 4.924 4.817 1.00 0.00 O ATOM 219 CB LYS A 15 -0.078 7.232 3.970 1.00 0.00 C ATOM 220 CG LYS A 15 -0.836 8.393 4.592 1.00 0.00 C ATOM 221 CD LYS A 15 -1.036 9.532 3.605 1.00 0.00 C ATOM 222 CE LYS A 15 0.286 10.196 3.233 1.00 0.00 C ATOM 223 NZ LYS A 15 0.111 11.247 2.191 1.00 0.00 N ATOM 0 H LYS A 15 1.015 5.031 3.347 1.00 0.00 H new ATOM 0 HA LYS A 15 0.881 6.633 5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.816 7.616 3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.698 6.778 3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.806 8.045 4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.291 8.758 5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.518 9.152 2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.707 10.274 4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.732 10.639 4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.982 9.439 2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.743 12.047 2.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.343 10.852 1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.875 11.576 2.192 1.00 0.00 H new ATOM 237 N PHE A 16 -0.993 5.463 6.874 1.00 0.00 N ATOM 238 CA PHE A 16 -2.111 4.821 7.543 1.00 0.00 C ATOM 239 C PHE A 16 -2.965 5.834 8.291 1.00 0.00 C ATOM 240 O PHE A 16 -2.458 6.628 9.090 1.00 0.00 O ATOM 241 CB PHE A 16 -1.615 3.759 8.524 1.00 0.00 C ATOM 242 CG PHE A 16 -0.823 2.649 7.888 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.319 1.946 6.804 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.418 2.302 8.391 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.591 0.917 6.235 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.152 1.279 7.829 1.00 0.00 C ATOM 247 CZ PHE A 16 0.649 0.579 6.747 1.00 0.00 C ATOM 0 H PHE A 16 -0.318 5.901 7.500 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.721 4.348 6.773 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.998 4.241 9.282 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.473 3.328 9.039 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.286 2.204 6.398 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.818 2.841 9.237 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.991 0.377 5.390 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.120 1.024 8.234 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.220 -0.225 6.306 1.00 0.00 H new ATOM 257 N PRO A 17 -4.281 5.817 8.048 1.00 0.00 N ATOM 258 CA PRO A 17 -4.911 4.895 7.114 1.00 0.00 C ATOM 259 C PRO A 17 -5.015 5.460 5.701 1.00 0.00 C ATOM 260 O PRO A 17 -5.154 6.673 5.519 1.00 0.00 O ATOM 261 CB PRO A 17 -6.314 4.710 7.703 1.00 0.00 C ATOM 262 CG PRO A 17 -6.517 5.841 8.684 1.00 0.00 C ATOM 263 CD PRO A 17 -5.271 6.695 8.667 1.00 0.00 C ATOM 0 HA PRO A 17 -4.337 3.974 7.010 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.071 4.735 6.919 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.402 3.744 8.200 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.390 6.433 8.409 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.699 5.450 9.685 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.416 7.609 8.092 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.973 6.995 9.672 1.00 0.00 H new ATOM 271 N PHE A 18 -4.981 4.583 4.705 1.00 0.00 N ATOM 272 CA PHE A 18 -5.114 5.016 3.320 1.00 0.00 C ATOM 273 C PHE A 18 -6.469 4.585 2.788 1.00 0.00 C ATOM 274 O PHE A 18 -7.161 3.789 3.425 1.00 0.00 O ATOM 275 CB PHE A 18 -3.977 4.493 2.425 1.00 0.00 C ATOM 276 CG PHE A 18 -3.945 3.000 2.207 1.00 0.00 C ATOM 277 CD1 PHE A 18 -3.486 2.148 3.193 1.00 0.00 C ATOM 278 CD2 PHE A 18 -4.363 2.455 1.000 1.00 0.00 C ATOM 279 CE1 PHE A 18 -3.443 0.781 2.984 1.00 0.00 C ATOM 280 CE2 PHE A 18 -4.326 1.092 0.785 1.00 0.00 C ATOM 281 CZ PHE A 18 -3.864 0.249 1.778 1.00 0.00 C ATOM 0 H PHE A 18 -4.864 3.577 4.828 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.040 6.103 3.298 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.051 4.981 1.453 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.026 4.797 2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.157 2.554 4.138 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.722 3.107 0.218 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.080 0.128 3.764 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.658 0.685 -0.159 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.832 -0.818 1.614 1.00 0.00 H new ATOM 291 N LEU A 19 -6.866 5.127 1.643 1.00 0.00 N ATOM 292 CA LEU A 19 -8.168 4.806 1.070 1.00 0.00 C ATOM 293 C LEU A 19 -8.056 3.896 -0.152 1.00 0.00 C ATOM 294 O LEU A 19 -7.362 4.214 -1.117 1.00 0.00 O ATOM 295 CB LEU A 19 -8.889 6.095 0.681 1.00 0.00 C ATOM 296 CG LEU A 19 -10.359 5.919 0.321 1.00 0.00 C ATOM 297 CD1 LEU A 19 -11.155 5.525 1.549 1.00 0.00 C ATOM 298 CD2 LEU A 19 -10.918 7.191 -0.288 1.00 0.00 C ATOM 0 H LEU A 19 -6.311 5.785 1.097 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.735 4.268 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.814 6.801 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.372 6.542 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.441 5.123 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.204 5.402 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.770 4.586 1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.064 6.303 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.969 7.044 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.826 8.008 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.361 7.437 -1.192 1.00 0.00 H new ATOM 310 N PHE A 20 -8.760 2.771 -0.103 1.00 0.00 N ATOM 311 CA PHE A 20 -8.763 1.815 -1.199 1.00 0.00 C ATOM 312 C PHE A 20 -10.193 1.503 -1.612 1.00 0.00 C ATOM 313 O PHE A 20 -10.870 0.700 -0.963 1.00 0.00 O ATOM 314 CB PHE A 20 -8.095 0.517 -0.783 1.00 0.00 C ATOM 315 CG PHE A 20 -7.793 -0.402 -1.925 1.00 0.00 C ATOM 316 CD1 PHE A 20 -7.545 0.075 -3.203 1.00 0.00 C ATOM 317 CD2 PHE A 20 -7.764 -1.761 -1.702 1.00 0.00 C ATOM 318 CE1 PHE A 20 -7.275 -0.808 -4.235 1.00 0.00 C ATOM 319 CE2 PHE A 20 -7.500 -2.647 -2.725 1.00 0.00 C ATOM 320 CZ PHE A 20 -7.253 -2.170 -3.996 1.00 0.00 C ATOM 0 H PHE A 20 -9.339 2.499 0.691 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.215 2.258 -2.031 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.167 0.749 -0.260 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.740 -0.001 -0.073 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.562 1.138 -3.394 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.951 -2.139 -0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.081 -0.432 -5.229 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.487 -3.710 -2.532 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.043 -2.858 -4.802 1.00 0.00 H new ATOM 330 N ASN A 21 -10.638 2.133 -2.685 1.00 0.00 N ATOM 331 CA ASN A 21 -11.991 1.937 -3.210 1.00 0.00 C ATOM 332 C ASN A 21 -13.064 2.183 -2.148 1.00 0.00 C ATOM 333 O ASN A 21 -14.138 1.580 -2.190 1.00 0.00 O ATOM 334 CB ASN A 21 -12.154 0.536 -3.808 1.00 0.00 C ATOM 335 CG ASN A 21 -11.419 0.374 -5.122 1.00 0.00 C ATOM 336 OD1 ASN A 21 -10.192 0.454 -5.177 1.00 0.00 O ATOM 337 ND2 ASN A 21 -12.167 0.162 -6.194 1.00 0.00 N ATOM 0 H ASN A 21 -10.078 2.795 -3.221 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.129 2.676 -3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.786 -0.204 -3.097 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.214 0.331 -3.961 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.729 0.058 -7.109 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.181 0.102 -6.104 1.00 0.00 H new ATOM 344 N GLY A 22 -12.784 3.085 -1.213 1.00 0.00 N ATOM 345 CA GLY A 22 -13.751 3.408 -0.178 1.00 0.00 C ATOM 346 C GLY A 22 -13.481 2.736 1.154 1.00 0.00 C ATOM 347 O GLY A 22 -14.220 2.947 2.114 1.00 0.00 O ATOM 0 H GLY A 22 -11.905 3.599 -1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.763 4.488 -0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.745 3.122 -0.522 1.00 0.00 H new ATOM 351 N LYS A 23 -12.426 1.940 1.234 1.00 0.00 N ATOM 352 CA LYS A 23 -12.092 1.264 2.480 1.00 0.00 C ATOM 353 C LYS A 23 -10.764 1.773 3.019 1.00 0.00 C ATOM 354 O LYS A 23 -9.788 1.874 2.277 1.00 0.00 O ATOM 355 CB LYS A 23 -12.026 -0.252 2.273 1.00 0.00 C ATOM 356 CG LYS A 23 -12.089 -1.059 3.569 1.00 0.00 C ATOM 357 CD LYS A 23 -11.827 -2.539 3.334 1.00 0.00 C ATOM 358 CE LYS A 23 -12.794 -3.141 2.326 1.00 0.00 C ATOM 359 NZ LYS A 23 -12.477 -4.568 2.025 1.00 0.00 N ATOM 0 H LYS A 23 -11.791 1.747 0.459 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.875 1.482 3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.849 -0.556 1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.102 -0.497 1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.356 -0.669 4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.070 -0.933 4.027 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.805 -2.673 2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.910 -3.075 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.811 -3.070 2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.763 -2.561 1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.161 -4.937 1.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.517 -4.635 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.532 -5.128 2.900 1.00 0.00 H new ATOM 373 N GLU A 24 -10.738 2.097 4.305 1.00 0.00 N ATOM 374 CA GLU A 24 -9.531 2.603 4.944 1.00 0.00 C ATOM 375 C GLU A 24 -8.755 1.472 5.613 1.00 0.00 C ATOM 376 O GLU A 24 -9.329 0.644 6.320 1.00 0.00 O ATOM 377 CB GLU A 24 -9.896 3.685 5.967 1.00 0.00 C ATOM 378 CG GLU A 24 -10.654 4.862 5.371 1.00 0.00 C ATOM 379 CD GLU A 24 -11.202 5.808 6.417 1.00 0.00 C ATOM 380 OE1 GLU A 24 -11.064 5.516 7.623 1.00 0.00 O ATOM 381 OE2 GLU A 24 -11.776 6.845 6.034 1.00 0.00 O ATOM 0 H GLU A 24 -11.542 2.018 4.928 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.891 3.042 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.501 3.237 6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.983 4.052 6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.991 5.413 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.477 4.486 4.763 1.00 0.00 H new ATOM 388 N TYR A 25 -7.449 1.440 5.386 1.00 0.00 N ATOM 389 CA TYR A 25 -6.601 0.404 5.966 1.00 0.00 C ATOM 390 C TYR A 25 -5.563 0.995 6.908 1.00 0.00 C ATOM 391 O TYR A 25 -4.871 1.951 6.563 1.00 0.00 O ATOM 392 CB TYR A 25 -5.892 -0.375 4.865 1.00 0.00 C ATOM 393 CG TYR A 25 -6.817 -1.149 3.972 1.00 0.00 C ATOM 394 CD1 TYR A 25 -7.587 -2.189 4.466 1.00 0.00 C ATOM 395 CD2 TYR A 25 -6.911 -0.841 2.625 1.00 0.00 C ATOM 396 CE1 TYR A 25 -8.434 -2.899 3.637 1.00 0.00 C ATOM 397 CE2 TYR A 25 -7.754 -1.543 1.793 1.00 0.00 C ATOM 398 CZ TYR A 25 -8.508 -2.573 2.301 1.00 0.00 C ATOM 399 OH TYR A 25 -9.343 -3.278 1.471 1.00 0.00 O ATOM 0 H TYR A 25 -6.953 2.117 4.806 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.246 -0.265 6.536 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.314 0.320 4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.182 -1.065 5.322 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.524 -2.448 5.513 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.313 -0.037 2.221 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.034 -3.704 4.034 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.822 -1.285 0.746 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.277 -2.921 0.561 1.00 0.00 H new ATOM 409 N ASN A 26 -5.439 0.397 8.085 1.00 0.00 N ATOM 410 CA ASN A 26 -4.456 0.837 9.074 1.00 0.00 C ATOM 411 C ASN A 26 -3.204 -0.013 8.932 1.00 0.00 C ATOM 412 O ASN A 26 -2.184 0.235 9.573 1.00 0.00 O ATOM 413 CB ASN A 26 -4.996 0.725 10.512 1.00 0.00 C ATOM 414 CG ASN A 26 -6.140 1.683 10.825 1.00 0.00 C ATOM 415 OD1 ASN A 26 -6.469 1.906 11.991 1.00 0.00 O ATOM 416 ND2 ASN A 26 -6.776 2.227 9.800 1.00 0.00 N ATOM 0 H ASN A 26 -6.007 -0.397 8.382 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.232 1.888 8.889 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.335 -0.297 10.682 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.180 0.911 11.210 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.565 2.853 9.963 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.477 2.021 8.847 1.00 0.00 H new ATOM 423 N SER A 27 -3.306 -1.025 8.083 1.00 0.00 N ATOM 424 CA SER A 27 -2.214 -1.944 7.824 1.00 0.00 C ATOM 425 C SER A 27 -2.149 -2.271 6.336 1.00 0.00 C ATOM 426 O SER A 27 -3.042 -1.901 5.572 1.00 0.00 O ATOM 427 CB SER A 27 -2.429 -3.220 8.635 1.00 0.00 C ATOM 428 OG SER A 27 -3.780 -3.658 8.540 1.00 0.00 O ATOM 0 H SER A 27 -4.153 -1.230 7.553 1.00 0.00 H new ATOM 0 HA SER A 27 -1.271 -1.483 8.119 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.762 -4.003 8.273 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.173 -3.040 9.679 1.00 0.00 H new ATOM 0 HG SER A 27 -3.896 -4.477 9.065 1.00 0.00 H new ATOM 434 N CYS A 28 -1.103 -2.971 5.924 1.00 0.00 N ATOM 435 CA CYS A 28 -0.959 -3.352 4.528 1.00 0.00 C ATOM 436 C CYS A 28 -1.914 -4.499 4.213 1.00 0.00 C ATOM 437 O CYS A 28 -2.056 -5.433 5.000 1.00 0.00 O ATOM 438 CB CYS A 28 0.487 -3.750 4.232 1.00 0.00 C ATOM 439 SG CYS A 28 1.698 -2.431 4.577 1.00 0.00 S ATOM 0 H CYS A 28 -0.346 -3.285 6.532 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.209 -2.502 3.894 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.741 -4.628 4.826 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.567 -4.039 3.184 1.00 0.00 H new ATOM 444 N THR A 29 -2.595 -4.411 3.082 1.00 0.00 N ATOM 445 CA THR A 29 -3.559 -5.428 2.704 1.00 0.00 C ATOM 446 C THR A 29 -3.164 -6.116 1.404 1.00 0.00 C ATOM 447 O THR A 29 -2.348 -5.602 0.643 1.00 0.00 O ATOM 448 CB THR A 29 -4.945 -4.783 2.570 1.00 0.00 C ATOM 449 OG1 THR A 29 -5.944 -5.761 2.322 1.00 0.00 O ATOM 450 CG2 THR A 29 -5.033 -3.755 1.457 1.00 0.00 C ATOM 0 H THR A 29 -2.498 -3.648 2.412 1.00 0.00 H new ATOM 0 HA THR A 29 -3.582 -6.192 3.481 1.00 0.00 H new ATOM 0 HB THR A 29 -5.110 -4.281 3.524 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.546 -5.443 1.617 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.041 -3.342 1.422 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.319 -2.953 1.645 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.803 -4.230 0.504 1.00 0.00 H new ATOM 458 N ASP A 30 -3.765 -7.273 1.146 1.00 0.00 N ATOM 459 CA ASP A 30 -3.496 -8.017 -0.077 1.00 0.00 C ATOM 460 C ASP A 30 -4.637 -7.818 -1.058 1.00 0.00 C ATOM 461 O ASP A 30 -4.650 -8.405 -2.137 1.00 0.00 O ATOM 462 CB ASP A 30 -3.316 -9.509 0.182 1.00 0.00 C ATOM 463 CG ASP A 30 -3.131 -9.879 1.637 1.00 0.00 C ATOM 464 OD1 ASP A 30 -4.071 -9.671 2.430 1.00 0.00 O ATOM 465 OD2 ASP A 30 -2.058 -10.405 1.983 1.00 0.00 O ATOM 0 H ASP A 30 -4.442 -7.715 1.768 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.563 -7.634 -0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.186 -10.039 -0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.451 -9.860 -0.381 1.00 0.00 H new ATOM 470 N THR A 31 -5.592 -6.985 -0.659 1.00 0.00 N ATOM 471 CA THR A 31 -6.760 -6.678 -1.477 1.00 0.00 C ATOM 472 C THR A 31 -6.321 -6.061 -2.796 1.00 0.00 C ATOM 473 O THR A 31 -5.363 -5.291 -2.838 1.00 0.00 O ATOM 474 CB THR A 31 -7.671 -5.715 -0.719 1.00 0.00 C ATOM 475 OG1 THR A 31 -7.935 -6.198 0.586 1.00 0.00 O ATOM 476 CG2 THR A 31 -9.004 -5.470 -1.384 1.00 0.00 C ATOM 0 H THR A 31 -5.578 -6.504 0.240 1.00 0.00 H new ATOM 0 HA THR A 31 -7.308 -7.596 -1.688 1.00 0.00 H new ATOM 0 HB THR A 31 -7.121 -4.774 -0.701 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.519 -5.567 1.057 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.589 -4.775 -0.781 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.844 -5.045 -2.375 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.543 -6.413 -1.477 1.00 0.00 H new ATOM 484 N GLY A 32 -6.995 -6.423 -3.874 1.00 0.00 N ATOM 485 CA GLY A 32 -6.628 -5.919 -5.177 1.00 0.00 C ATOM 486 C GLY A 32 -5.635 -6.851 -5.840 1.00 0.00 C ATOM 487 O GLY A 32 -5.704 -7.107 -7.041 1.00 0.00 O ATOM 0 H GLY A 32 -7.792 -7.059 -3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.517 -5.821 -5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.195 -4.924 -5.081 1.00 0.00 H new ATOM 491 N ARG A 33 -4.733 -7.391 -5.025 1.00 0.00 N ATOM 492 CA ARG A 33 -3.731 -8.341 -5.477 1.00 0.00 C ATOM 493 C ARG A 33 -4.336 -9.739 -5.458 1.00 0.00 C ATOM 494 O ARG A 33 -5.437 -9.934 -4.940 1.00 0.00 O ATOM 495 CB ARG A 33 -2.517 -8.292 -4.547 1.00 0.00 C ATOM 496 CG ARG A 33 -1.858 -6.922 -4.451 1.00 0.00 C ATOM 497 CD ARG A 33 -1.057 -6.584 -5.699 1.00 0.00 C ATOM 498 NE ARG A 33 0.011 -7.555 -5.955 1.00 0.00 N ATOM 499 CZ ARG A 33 0.944 -7.400 -6.889 1.00 0.00 C ATOM 500 NH1 ARG A 33 1.004 -6.270 -7.581 1.00 0.00 N ATOM 501 NH2 ARG A 33 1.834 -8.363 -7.104 1.00 0.00 N ATOM 0 H ARG A 33 -4.680 -7.178 -4.029 1.00 0.00 H new ATOM 0 HA ARG A 33 -3.412 -8.089 -6.489 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.825 -8.605 -3.549 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.778 -9.014 -4.894 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.624 -6.162 -4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.202 -6.896 -3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.726 -6.548 -6.559 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.623 -5.590 -5.591 1.00 0.00 H new ATOM 0 HE ARG A 33 0.040 -8.399 -5.383 1.00 0.00 H new ATOM 0 HH11 ARG A 33 0.335 -5.522 -7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.719 -6.149 -8.298 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.801 -9.220 -6.553 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.550 -8.245 -7.821 1.00 0.00 H new ATOM 515 N SER A 34 -3.634 -10.712 -6.010 1.00 0.00 N ATOM 516 CA SER A 34 -4.140 -12.080 -6.025 1.00 0.00 C ATOM 517 C SER A 34 -3.091 -13.069 -5.524 1.00 0.00 C ATOM 518 O SER A 34 -3.380 -14.254 -5.351 1.00 0.00 O ATOM 519 CB SER A 34 -4.576 -12.460 -7.439 1.00 0.00 C ATOM 520 OG SER A 34 -5.494 -11.513 -7.957 1.00 0.00 O ATOM 0 H SER A 34 -2.722 -10.587 -6.450 1.00 0.00 H new ATOM 0 HA SER A 34 -4.997 -12.127 -5.353 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.703 -12.520 -8.089 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.034 -13.449 -7.429 1.00 0.00 H new ATOM 0 HG SER A 34 -5.758 -11.775 -8.864 1.00 0.00 H new ATOM 526 N ASP A 35 -1.869 -12.587 -5.320 1.00 0.00 N ATOM 527 CA ASP A 35 -0.770 -13.434 -4.873 1.00 0.00 C ATOM 528 C ASP A 35 -0.588 -13.398 -3.366 1.00 0.00 C ATOM 529 O ASP A 35 0.398 -13.915 -2.835 1.00 0.00 O ATOM 530 CB ASP A 35 0.520 -13.007 -5.553 1.00 0.00 C ATOM 531 CG ASP A 35 0.326 -11.989 -6.653 1.00 0.00 C ATOM 532 OD1 ASP A 35 0.044 -10.813 -6.330 1.00 0.00 O ATOM 533 OD2 ASP A 35 0.442 -12.358 -7.835 1.00 0.00 O ATOM 0 H ASP A 35 -1.615 -11.609 -5.458 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.019 -14.459 -5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.194 -12.593 -4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.008 -13.888 -5.969 1.00 0.00 H new ATOM 538 N GLY A 36 -1.534 -12.784 -2.685 1.00 0.00 N ATOM 539 CA GLY A 36 -1.465 -12.682 -1.240 1.00 0.00 C ATOM 540 C GLY A 36 -0.367 -11.740 -0.779 1.00 0.00 C ATOM 541 O GLY A 36 0.170 -11.892 0.316 1.00 0.00 O ATOM 0 H GLY A 36 -2.356 -12.350 -3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.424 -12.333 -0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.293 -13.671 -0.816 1.00 0.00 H new ATOM 545 N PHE A 37 -0.031 -10.770 -1.626 1.00 0.00 N ATOM 546 CA PHE A 37 1.009 -9.797 -1.308 1.00 0.00 C ATOM 547 C PHE A 37 0.410 -8.553 -0.668 1.00 0.00 C ATOM 548 O PHE A 37 -0.502 -7.939 -1.224 1.00 0.00 O ATOM 549 CB PHE A 37 1.789 -9.406 -2.569 1.00 0.00 C ATOM 550 CG PHE A 37 2.888 -10.362 -2.929 1.00 0.00 C ATOM 551 CD1 PHE A 37 3.944 -10.576 -2.059 1.00 0.00 C ATOM 552 CD2 PHE A 37 2.877 -11.033 -4.138 1.00 0.00 C ATOM 553 CE1 PHE A 37 4.963 -11.446 -2.384 1.00 0.00 C ATOM 554 CE2 PHE A 37 3.893 -11.907 -4.468 1.00 0.00 C ATOM 555 CZ PHE A 37 4.939 -12.110 -3.593 1.00 0.00 C ATOM 0 H PHE A 37 -0.465 -10.637 -2.539 1.00 0.00 H new ATOM 0 HA PHE A 37 1.693 -10.262 -0.598 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.094 -9.336 -3.406 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.217 -8.414 -2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.970 -10.055 -1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.065 -10.871 -4.831 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.778 -11.607 -1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.869 -12.432 -5.412 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.738 -12.788 -3.854 1.00 0.00 H new ATOM 565 N LEU A 38 0.930 -8.187 0.495 1.00 0.00 N ATOM 566 CA LEU A 38 0.447 -7.013 1.206 1.00 0.00 C ATOM 567 C LEU A 38 1.112 -5.754 0.662 1.00 0.00 C ATOM 568 O LEU A 38 2.331 -5.704 0.496 1.00 0.00 O ATOM 569 CB LEU A 38 0.706 -7.123 2.706 1.00 0.00 C ATOM 570 CG LEU A 38 0.068 -8.327 3.418 1.00 0.00 C ATOM 571 CD1 LEU A 38 0.859 -9.603 3.169 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.039 -8.064 4.909 1.00 0.00 C ATOM 0 H LEU A 38 1.685 -8.686 0.965 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.630 -6.952 1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.784 -7.162 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.346 -6.212 3.184 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.932 -8.463 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.381 -10.434 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.888 -9.810 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.876 -9.480 3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.493 -8.926 5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.956 -7.895 5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.657 -7.183 5.080 1.00 0.00 H new ATOM 584 N TRP A 39 0.310 -4.740 0.395 1.00 0.00 N ATOM 585 CA TRP A 39 0.812 -3.475 -0.126 1.00 0.00 C ATOM 586 C TRP A 39 0.186 -2.309 0.630 1.00 0.00 C ATOM 587 O TRP A 39 -0.712 -2.496 1.454 1.00 0.00 O ATOM 588 CB TRP A 39 0.510 -3.347 -1.631 1.00 0.00 C ATOM 589 CG TRP A 39 -0.957 -3.354 -1.947 1.00 0.00 C ATOM 590 CD1 TRP A 39 -1.771 -4.447 -2.070 1.00 0.00 C ATOM 591 CD2 TRP A 39 -1.797 -2.208 -2.159 1.00 0.00 C ATOM 592 NE1 TRP A 39 -3.053 -4.048 -2.339 1.00 0.00 N ATOM 593 CE2 TRP A 39 -3.095 -2.684 -2.404 1.00 0.00 C ATOM 594 CE3 TRP A 39 -1.579 -0.828 -2.167 1.00 0.00 C ATOM 595 CZ2 TRP A 39 -4.166 -1.831 -2.652 1.00 0.00 C ATOM 596 CZ3 TRP A 39 -2.646 0.015 -2.416 1.00 0.00 C ATOM 597 CH2 TRP A 39 -3.921 -0.490 -2.653 1.00 0.00 C ATOM 0 H TRP A 39 -0.701 -4.766 0.531 1.00 0.00 H new ATOM 0 HA TRP A 39 1.893 -3.452 0.014 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.950 -2.423 -2.005 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.992 -4.168 -2.162 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -1.450 -5.473 -1.970 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.850 -4.671 -2.470 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.594 -0.427 -1.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.157 -2.218 -2.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.487 1.083 -2.427 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.734 0.195 -2.842 1.00 0.00 H new ATOM 608 N CYS A 40 0.662 -1.110 0.351 1.00 0.00 N ATOM 609 CA CYS A 40 0.154 0.082 0.997 1.00 0.00 C ATOM 610 C CYS A 40 0.296 1.263 0.053 1.00 0.00 C ATOM 611 O CYS A 40 0.987 1.163 -0.963 1.00 0.00 O ATOM 612 CB CYS A 40 0.933 0.345 2.286 1.00 0.00 C ATOM 613 SG CYS A 40 2.627 0.971 2.013 1.00 0.00 S ATOM 0 H CYS A 40 1.406 -0.937 -0.325 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.898 -0.057 1.245 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.383 1.066 2.891 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.986 -0.579 2.862 1.00 0.00 H new ATOM 618 N SER A 41 -0.329 2.380 0.381 1.00 0.00 N ATOM 619 CA SER A 41 -0.224 3.565 -0.455 1.00 0.00 C ATOM 620 C SER A 41 0.366 4.714 0.350 1.00 0.00 C ATOM 621 O SER A 41 0.375 4.686 1.584 1.00 0.00 O ATOM 622 CB SER A 41 -1.585 3.967 -1.035 1.00 0.00 C ATOM 623 OG SER A 41 -1.452 5.018 -1.981 1.00 0.00 O ATOM 0 H SER A 41 -0.910 2.493 1.212 1.00 0.00 H new ATOM 0 HA SER A 41 0.435 3.332 -1.291 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.050 3.103 -1.511 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.248 4.282 -0.229 1.00 0.00 H new ATOM 0 HG SER A 41 -0.895 4.717 -2.729 1.00 0.00 H new ATOM 629 N THR A 42 0.858 5.713 -0.351 1.00 0.00 N ATOM 630 CA THR A 42 1.461 6.871 0.282 1.00 0.00 C ATOM 631 C THR A 42 0.757 8.143 -0.172 1.00 0.00 C ATOM 632 O THR A 42 0.941 9.215 0.398 1.00 0.00 O ATOM 633 CB THR A 42 2.947 6.923 -0.085 1.00 0.00 C ATOM 634 OG1 THR A 42 3.557 5.669 0.163 1.00 0.00 O ATOM 635 CG2 THR A 42 3.735 7.974 0.671 1.00 0.00 C ATOM 0 H THR A 42 0.853 5.748 -1.370 1.00 0.00 H new ATOM 0 HA THR A 42 1.358 6.792 1.364 1.00 0.00 H new ATOM 0 HB THR A 42 2.970 7.185 -1.143 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.734 5.575 1.122 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.777 7.946 0.353 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.319 8.960 0.463 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.676 7.773 1.741 1.00 0.00 H new ATOM 643 N THR A 43 -0.047 8.015 -1.212 1.00 0.00 N ATOM 644 CA THR A 43 -0.765 9.147 -1.759 1.00 0.00 C ATOM 645 C THR A 43 -2.213 9.180 -1.280 1.00 0.00 C ATOM 646 O THR A 43 -3.061 9.859 -1.875 1.00 0.00 O ATOM 647 CB THR A 43 -0.682 9.088 -3.278 1.00 0.00 C ATOM 648 OG1 THR A 43 -1.242 10.245 -3.875 1.00 0.00 O ATOM 649 CG2 THR A 43 -1.368 7.878 -3.856 1.00 0.00 C ATOM 0 H THR A 43 -0.218 7.133 -1.695 1.00 0.00 H new ATOM 0 HA THR A 43 -0.305 10.070 -1.406 1.00 0.00 H new ATOM 0 HB THR A 43 0.382 9.027 -3.505 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.104 10.446 -3.454 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.275 7.891 -4.942 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.903 6.974 -3.463 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.423 7.892 -3.582 1.00 0.00 H new ATOM 657 N TYR A 44 -2.482 8.442 -0.202 1.00 0.00 N ATOM 658 CA TYR A 44 -3.816 8.356 0.396 1.00 0.00 C ATOM 659 C TYR A 44 -4.786 7.602 -0.510 1.00 0.00 C ATOM 660 O TYR A 44 -5.074 6.429 -0.276 1.00 0.00 O ATOM 661 CB TYR A 44 -4.354 9.758 0.740 1.00 0.00 C ATOM 662 CG TYR A 44 -5.720 9.767 1.419 1.00 0.00 C ATOM 663 CD1 TYR A 44 -6.897 9.642 0.684 1.00 0.00 C ATOM 664 CD2 TYR A 44 -5.828 9.901 2.798 1.00 0.00 C ATOM 665 CE1 TYR A 44 -8.132 9.654 1.301 1.00 0.00 C ATOM 666 CE2 TYR A 44 -7.062 9.911 3.422 1.00 0.00 C ATOM 667 CZ TYR A 44 -8.208 9.789 2.667 1.00 0.00 C ATOM 668 OH TYR A 44 -9.438 9.803 3.279 1.00 0.00 O ATOM 0 H TYR A 44 -1.779 7.885 0.283 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.728 7.790 1.324 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.637 10.258 1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.415 10.344 -0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.842 9.534 -0.389 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.932 9.999 3.393 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.033 9.558 0.714 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.127 10.014 4.495 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.321 9.904 4.247 1.00 0.00 H new ATOM 678 N ASN A 45 -5.303 8.276 -1.530 1.00 0.00 N ATOM 679 CA ASN A 45 -6.256 7.660 -2.441 1.00 0.00 C ATOM 680 C ASN A 45 -5.522 6.937 -3.573 1.00 0.00 C ATOM 681 O ASN A 45 -4.888 7.568 -4.417 1.00 0.00 O ATOM 682 CB ASN A 45 -7.188 8.735 -3.007 1.00 0.00 C ATOM 683 CG ASN A 45 -8.474 8.234 -3.590 1.00 0.00 C ATOM 684 OD1 ASN A 45 -9.400 9.018 -3.777 1.00 0.00 O ATOM 685 ND2 ASN A 45 -8.565 6.973 -3.926 1.00 0.00 N ATOM 0 H ASN A 45 -5.078 9.247 -1.746 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.848 6.924 -1.897 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.422 9.443 -2.212 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.651 9.287 -3.778 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.421 6.620 -4.355 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.780 6.343 -3.759 1.00 0.00 H new ATOM 692 N PHE A 46 -5.608 5.612 -3.567 1.00 0.00 N ATOM 693 CA PHE A 46 -4.947 4.775 -4.573 1.00 0.00 C ATOM 694 C PHE A 46 -5.697 4.790 -5.911 1.00 0.00 C ATOM 695 O PHE A 46 -5.131 4.473 -6.957 1.00 0.00 O ATOM 696 CB PHE A 46 -4.848 3.336 -4.043 1.00 0.00 C ATOM 697 CG PHE A 46 -4.101 2.390 -4.956 1.00 0.00 C ATOM 698 CD1 PHE A 46 -2.747 2.571 -5.218 1.00 0.00 C ATOM 699 CD2 PHE A 46 -4.750 1.322 -5.559 1.00 0.00 C ATOM 700 CE1 PHE A 46 -2.069 1.707 -6.055 1.00 0.00 C ATOM 701 CE2 PHE A 46 -4.071 0.457 -6.396 1.00 0.00 C ATOM 702 CZ PHE A 46 -2.731 0.651 -6.645 1.00 0.00 C ATOM 0 H PHE A 46 -6.134 5.085 -2.870 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.951 5.180 -4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.354 3.352 -3.072 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.855 2.950 -3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.220 3.396 -4.762 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.802 1.164 -5.371 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.017 1.859 -6.248 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.591 -0.371 -6.855 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.199 -0.022 -7.301 1.00 0.00 H new ATOM 712 N GLU A 47 -6.974 5.129 -5.854 1.00 0.00 N ATOM 713 CA GLU A 47 -7.839 5.158 -7.032 1.00 0.00 C ATOM 714 C GLU A 47 -7.401 6.188 -8.078 1.00 0.00 C ATOM 715 O GLU A 47 -7.197 5.845 -9.245 1.00 0.00 O ATOM 716 CB GLU A 47 -9.274 5.456 -6.581 1.00 0.00 C ATOM 717 CG GLU A 47 -10.316 5.399 -7.682 1.00 0.00 C ATOM 718 CD GLU A 47 -11.697 5.714 -7.159 1.00 0.00 C ATOM 719 OE1 GLU A 47 -11.901 6.840 -6.671 1.00 0.00 O ATOM 720 OE2 GLU A 47 -12.569 4.832 -7.213 1.00 0.00 O ATOM 0 H GLU A 47 -7.446 5.393 -4.989 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.772 4.182 -7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.550 4.744 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.298 6.448 -6.129 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.054 6.107 -8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.315 4.407 -8.133 1.00 0.00 H new ATOM 727 N LYS A 48 -7.320 7.452 -7.675 1.00 0.00 N ATOM 728 CA LYS A 48 -6.977 8.527 -8.607 1.00 0.00 C ATOM 729 C LYS A 48 -5.476 8.676 -8.866 1.00 0.00 C ATOM 730 O LYS A 48 -5.078 8.940 -10.001 1.00 0.00 O ATOM 731 CB LYS A 48 -7.575 9.861 -8.141 1.00 0.00 C ATOM 732 CG LYS A 48 -7.321 10.194 -6.674 1.00 0.00 C ATOM 733 CD LYS A 48 -8.037 11.477 -6.275 1.00 0.00 C ATOM 734 CE LYS A 48 -7.830 11.796 -4.802 1.00 0.00 C ATOM 735 NZ LYS A 48 -8.597 12.997 -4.368 1.00 0.00 N ATOM 0 H LYS A 48 -7.485 7.759 -6.716 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.418 8.240 -9.561 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.167 10.662 -8.757 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.651 9.842 -8.314 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.663 9.372 -6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.250 10.302 -6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.670 12.304 -6.883 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.103 11.379 -6.481 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.133 10.938 -4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.769 11.958 -4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.423 13.173 -3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.291 13.823 -4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.613 12.834 -4.521 1.00 0.00 H new ATOM 749 N ASP A 49 -4.644 8.534 -7.843 1.00 0.00 N ATOM 750 CA ASP A 49 -3.203 8.686 -8.036 1.00 0.00 C ATOM 751 C ASP A 49 -2.573 7.372 -8.486 1.00 0.00 C ATOM 752 O ASP A 49 -2.050 7.275 -9.595 1.00 0.00 O ATOM 753 CB ASP A 49 -2.533 9.217 -6.765 1.00 0.00 C ATOM 754 CG ASP A 49 -2.912 10.653 -6.469 1.00 0.00 C ATOM 755 OD1 ASP A 49 -4.104 10.921 -6.223 1.00 0.00 O ATOM 756 OD2 ASP A 49 -2.019 11.518 -6.487 1.00 0.00 O ATOM 0 H ASP A 49 -4.931 8.318 -6.888 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.043 9.419 -8.826 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.814 8.588 -5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.451 9.144 -6.871 1.00 0.00 H new ATOM 761 N GLY A 50 -2.660 6.350 -7.647 1.00 0.00 N ATOM 762 CA GLY A 50 -2.131 5.055 -8.018 1.00 0.00 C ATOM 763 C GLY A 50 -0.730 4.755 -7.515 1.00 0.00 C ATOM 764 O GLY A 50 -0.157 3.737 -7.904 1.00 0.00 O ATOM 0 H GLY A 50 -3.085 6.394 -6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.806 4.285 -7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.132 4.979 -9.105 1.00 0.00 H new ATOM 768 N LYS A 51 -0.160 5.593 -6.656 1.00 0.00 N ATOM 769 CA LYS A 51 1.180 5.302 -6.147 1.00 0.00 C ATOM 770 C LYS A 51 1.076 4.307 -4.996 1.00 0.00 C ATOM 771 O LYS A 51 0.142 4.376 -4.188 1.00 0.00 O ATOM 772 CB LYS A 51 1.935 6.570 -5.729 1.00 0.00 C ATOM 773 CG LYS A 51 2.160 7.540 -6.872 1.00 0.00 C ATOM 774 CD LYS A 51 1.258 8.763 -6.776 1.00 0.00 C ATOM 775 CE LYS A 51 1.773 9.764 -5.752 1.00 0.00 C ATOM 776 NZ LYS A 51 0.878 10.946 -5.632 1.00 0.00 N ATOM 0 H LYS A 51 -0.585 6.452 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 51 1.764 4.859 -6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.376 7.073 -4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.899 6.287 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.202 7.859 -6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.979 7.031 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.191 9.243 -7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.250 8.451 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.862 9.277 -4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.772 10.093 -6.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.376 11.709 -5.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.608 11.275 -6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.024 10.682 -5.101 1.00 0.00 H new ATOM 790 N TYR A 52 1.996 3.347 -4.958 1.00 0.00 N ATOM 791 CA TYR A 52 1.955 2.302 -3.945 1.00 0.00 C ATOM 792 C TYR A 52 3.313 1.636 -3.760 1.00 0.00 C ATOM 793 O TYR A 52 4.273 1.932 -4.475 1.00 0.00 O ATOM 794 CB TYR A 52 0.955 1.234 -4.401 1.00 0.00 C ATOM 795 CG TYR A 52 1.416 0.528 -5.658 1.00 0.00 C ATOM 796 CD1 TYR A 52 2.260 -0.576 -5.594 1.00 0.00 C ATOM 797 CD2 TYR A 52 1.047 0.993 -6.909 1.00 0.00 C ATOM 798 CE1 TYR A 52 2.719 -1.189 -6.739 1.00 0.00 C ATOM 799 CE2 TYR A 52 1.495 0.380 -8.058 1.00 0.00 C ATOM 800 CZ TYR A 52 2.330 -0.710 -7.970 1.00 0.00 C ATOM 801 OH TYR A 52 2.785 -1.314 -9.114 1.00 0.00 O ATOM 0 H TYR A 52 2.774 3.273 -5.614 1.00 0.00 H new ATOM 0 HA TYR A 52 1.665 2.755 -2.997 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.816 0.503 -3.604 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.015 1.698 -4.580 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.561 -0.959 -4.630 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.396 1.852 -6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.380 -2.040 -6.672 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.192 0.754 -9.025 1.00 0.00 H new ATOM 0 HH TYR A 52 2.415 -0.854 -9.896 1.00 0.00 H new ATOM 811 N GLY A 53 3.358 0.694 -2.829 1.00 0.00 N ATOM 812 CA GLY A 53 4.558 -0.058 -2.572 1.00 0.00 C ATOM 813 C GLY A 53 4.276 -1.263 -1.701 1.00 0.00 C ATOM 814 O GLY A 53 3.254 -1.313 -1.016 1.00 0.00 O ATOM 0 H GLY A 53 2.566 0.438 -2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.995 -0.383 -3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.293 0.582 -2.084 1.00 0.00 H new ATOM 818 N PHE A 54 5.164 -2.246 -1.735 1.00 0.00 N ATOM 819 CA PHE A 54 4.977 -3.457 -0.947 1.00 0.00 C ATOM 820 C PHE A 54 5.641 -3.315 0.412 1.00 0.00 C ATOM 821 O PHE A 54 6.676 -2.659 0.538 1.00 0.00 O ATOM 822 CB PHE A 54 5.513 -4.676 -1.690 1.00 0.00 C ATOM 823 CG PHE A 54 4.812 -4.927 -2.993 1.00 0.00 C ATOM 824 CD1 PHE A 54 4.965 -4.054 -4.059 1.00 0.00 C ATOM 825 CD2 PHE A 54 3.997 -6.030 -3.152 1.00 0.00 C ATOM 826 CE1 PHE A 54 4.318 -4.275 -5.253 1.00 0.00 C ATOM 827 CE2 PHE A 54 3.347 -6.258 -4.347 1.00 0.00 C ATOM 828 CZ PHE A 54 3.509 -5.380 -5.401 1.00 0.00 C ATOM 0 H PHE A 54 6.016 -2.230 -2.296 1.00 0.00 H new ATOM 0 HA PHE A 54 3.908 -3.603 -0.791 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.578 -4.540 -1.878 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.411 -5.555 -1.054 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.601 -3.188 -3.951 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.867 -6.721 -2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.444 -3.583 -6.073 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.711 -7.124 -4.459 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.003 -5.559 -6.338 1.00 0.00 H new ATOM 838 N CYS A 55 5.031 -3.903 1.433 1.00 0.00 N ATOM 839 CA CYS A 55 5.563 -3.799 2.789 1.00 0.00 C ATOM 840 C CYS A 55 6.307 -5.063 3.238 1.00 0.00 C ATOM 841 O CYS A 55 7.475 -4.985 3.615 1.00 0.00 O ATOM 842 CB CYS A 55 4.439 -3.478 3.779 1.00 0.00 C ATOM 843 SG CYS A 55 3.034 -2.568 3.051 1.00 0.00 S ATOM 0 H CYS A 55 4.175 -4.452 1.352 1.00 0.00 H new ATOM 0 HA CYS A 55 6.289 -2.986 2.777 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.070 -4.410 4.207 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.851 -2.891 4.600 1.00 0.00 H new ATOM 848 N PRO A 56 5.654 -6.250 3.248 1.00 0.00 N ATOM 849 CA PRO A 56 6.298 -7.477 3.702 1.00 0.00 C ATOM 850 C PRO A 56 7.107 -8.195 2.627 1.00 0.00 C ATOM 851 O PRO A 56 6.594 -9.048 1.901 1.00 0.00 O ATOM 852 CB PRO A 56 5.129 -8.330 4.163 1.00 0.00 C ATOM 853 CG PRO A 56 3.967 -7.892 3.335 1.00 0.00 C ATOM 854 CD PRO A 56 4.250 -6.487 2.866 1.00 0.00 C ATOM 0 HA PRO A 56 7.037 -7.270 4.476 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.336 -9.390 4.019 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.931 -8.185 5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.829 -8.560 2.485 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.047 -7.924 3.918 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.109 -6.391 1.789 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.582 -5.768 3.340 1.00 0.00 H new ATOM 862 N HIS A 57 8.383 -7.859 2.564 1.00 0.00 N ATOM 863 CA HIS A 57 9.313 -8.471 1.625 1.00 0.00 C ATOM 864 C HIS A 57 10.605 -8.782 2.364 1.00 0.00 C ATOM 865 O HIS A 57 10.983 -9.943 2.524 1.00 0.00 O ATOM 866 CB HIS A 57 9.561 -7.558 0.435 1.00 0.00 C ATOM 867 CG HIS A 57 8.692 -7.857 -0.752 1.00 0.00 C ATOM 868 ND1 HIS A 57 7.331 -8.058 -0.658 1.00 0.00 N ATOM 869 CD2 HIS A 57 8.993 -7.977 -2.068 1.00 0.00 C ATOM 870 CE1 HIS A 57 6.836 -8.289 -1.860 1.00 0.00 C ATOM 871 NE2 HIS A 57 7.823 -8.242 -2.732 1.00 0.00 N ATOM 0 H HIS A 57 8.807 -7.152 3.164 1.00 0.00 H new ATOM 0 HA HIS A 57 8.889 -9.395 1.231 1.00 0.00 H new ATOM 0 HB2 HIS A 57 9.397 -6.525 0.742 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.606 -7.641 0.138 1.00 0.00 H new ATOM 0 HD1 HIS A 57 6.790 -8.032 0.207 1.00 0.00 H new ATOM 0 HD2 HIS A 57 9.973 -7.882 -2.512 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.799 -8.483 -2.090 1.00 0.00 H new ATOM 879 N GLU A 58 11.237 -7.728 2.873 1.00 0.00 N ATOM 880 CA GLU A 58 12.448 -7.855 3.662 1.00 0.00 C ATOM 881 C GLU A 58 12.214 -7.231 5.036 1.00 0.00 C ATOM 882 O GLU A 58 13.122 -7.135 5.860 1.00 0.00 O ATOM 883 CB GLU A 58 13.639 -7.187 2.967 1.00 0.00 C ATOM 884 CG GLU A 58 13.442 -5.714 2.645 1.00 0.00 C ATOM 885 CD GLU A 58 14.686 -5.083 2.066 1.00 0.00 C ATOM 886 OE1 GLU A 58 15.706 -5.029 2.777 1.00 0.00 O ATOM 887 OE2 GLU A 58 14.645 -4.648 0.899 1.00 0.00 O ATOM 0 H GLU A 58 10.921 -6.766 2.748 1.00 0.00 H new ATOM 0 HA GLU A 58 12.687 -8.913 3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 58 14.518 -7.292 3.602 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.849 -7.722 2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.619 -5.606 1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.155 -5.181 3.552 1.00 0.00 H new ATOM 894 N ALA A 59 10.975 -6.807 5.265 1.00 0.00 N ATOM 895 CA ALA A 59 10.589 -6.190 6.523 1.00 0.00 C ATOM 896 C ALA A 59 9.624 -7.089 7.289 1.00 0.00 C ATOM 897 O ALA A 59 10.056 -8.172 7.729 1.00 0.00 O ATOM 898 CB ALA A 59 9.965 -4.827 6.274 1.00 0.00 C ATOM 0 H ALA A 59 10.217 -6.882 4.587 1.00 0.00 H new ATOM 0 HA ALA A 59 11.484 -6.055 7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.681 -4.377 7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.686 -4.184 5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.080 -4.941 5.648 1.00 0.00 H new TER 904 ALA A 59