USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 573 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 29 SER OG : rot -105:sc= -0.128 USER MOD Set 1.2: A 30 HIS : no HD1:sc= -7! C(o=-7.1!,f=-7.1!) USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 54 LYS NZ :NH3+ -173:sc= 0.284 (180deg=-0.105) USER MOD Single : A 7 LYS NZ :NH3+ 135:sc= 1.2 (180deg=-0.199) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.3!) USER MOD Single : A 16 LYS NZ :NH3+ 145:sc= -0.159 (180deg=-1.46!) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0828 USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= 0.962 (180deg=0.138) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -1.57! K(o=-1.6!,f=-2.4) USER MOD Single : A 35 THR OG1 : rot -85:sc= 1.32 USER MOD Single : A 52 LYS NZ :NH3+ 164:sc= -0.0154 (180deg=-0.404) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 171:sc= -0.607 (180deg=-1.05!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0289 USER MOD Single : A 66 LYS NZ :NH3+ -131:sc= 1.79 (180deg=-0.957) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -140:sc= -1.11! (180deg=-5.94!) USER MOD Single : A 73 TYR OH : rot -104:sc= -0.795 USER MOD Single : A 76 LYS NZ :NH3+ 160:sc= -0.0343 (180deg=-0.747) USER MOD Single : A 81 LYS NZ :NH3+ -110:sc= 1.27 (180deg=0.182) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -0.897 (180deg=-1.24) USER MOD Single : A 83 LYS NZ :NH3+ -107:sc= 0.207 (180deg=-1.86!) USER MOD Single : A 84 TYR OH : rot 30:sc= -0.213 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 2.346 8.044 11.421 1.00 1.35 N ATOM 32 CA ALA A 3 3.759 7.623 11.611 1.00 1.26 C ATOM 33 C ALA A 3 4.334 8.325 12.866 1.00 0.74 C ATOM 34 O ALA A 3 3.913 9.401 13.271 1.00 0.91 O ATOM 35 CB ALA A 3 4.547 8.005 10.344 1.00 3.90 C ATOM 0 HA ALA A 3 3.833 6.546 11.764 1.00 1.26 H new ATOM 0 HB1 ALA A 3 5.589 7.706 10.459 1.00 3.90 H new ATOM 0 HB2 ALA A 3 4.117 7.497 9.481 1.00 3.90 H new ATOM 0 HB3 ALA A 3 4.494 9.083 10.194 1.00 3.90 H new ATOM 41 N GLU A 4 5.299 7.687 13.463 1.00 0.33 N ATOM 42 CA GLU A 4 5.957 8.246 14.685 1.00 0.57 C ATOM 43 C GLU A 4 6.436 9.691 14.415 1.00 0.44 C ATOM 44 O GLU A 4 6.609 10.473 15.323 1.00 0.43 O ATOM 45 CB GLU A 4 7.110 7.290 15.041 1.00 1.16 C ATOM 46 CG GLU A 4 8.204 7.291 13.941 1.00 1.70 C ATOM 47 CD GLU A 4 7.668 7.064 12.539 1.00 2.46 C ATOM 48 OE1 GLU A 4 7.207 5.956 12.354 1.00 2.18 O ATOM 49 OE2 GLU A 4 7.728 7.990 11.750 1.00 4.30 O ATOM 0 H GLU A 4 5.669 6.788 13.155 1.00 0.33 H new ATOM 0 HA GLU A 4 5.270 8.313 15.529 1.00 0.57 H new ATOM 0 HB2 GLU A 4 7.549 7.586 15.994 1.00 1.16 H new ATOM 0 HB3 GLU A 4 6.721 6.280 15.169 1.00 1.16 H new ATOM 0 HG2 GLU A 4 8.731 8.245 13.968 1.00 1.70 H new ATOM 0 HG3 GLU A 4 8.936 6.516 14.169 1.00 1.70 H new ATOM 56 N PHE A 5 6.594 9.985 13.157 1.00 0.41 N ATOM 57 CA PHE A 5 7.043 11.314 12.644 1.00 0.38 C ATOM 58 C PHE A 5 5.833 12.273 12.737 1.00 0.32 C ATOM 59 O PHE A 5 5.932 13.322 13.333 1.00 0.28 O ATOM 60 CB PHE A 5 7.496 11.111 11.200 1.00 0.45 C ATOM 61 CG PHE A 5 7.617 12.451 10.443 1.00 0.28 C ATOM 62 CD1 PHE A 5 6.507 13.027 9.854 1.00 0.29 C ATOM 63 CD2 PHE A 5 8.826 13.105 10.353 1.00 0.19 C ATOM 64 CE1 PHE A 5 6.599 14.234 9.188 1.00 0.27 C ATOM 65 CE2 PHE A 5 8.931 14.313 9.691 1.00 0.18 C ATOM 66 CZ PHE A 5 7.817 14.884 9.106 1.00 0.24 C ATOM 0 H PHE A 5 6.418 9.310 12.413 1.00 0.41 H new ATOM 0 HA PHE A 5 7.870 11.738 13.214 1.00 0.38 H new ATOM 0 HB2 PHE A 5 8.458 10.600 11.190 1.00 0.45 H new ATOM 0 HB3 PHE A 5 6.786 10.465 10.684 1.00 0.45 H new ATOM 0 HD1 PHE A 5 5.552 12.525 9.915 1.00 0.29 H new ATOM 0 HD2 PHE A 5 9.703 12.668 10.806 1.00 0.19 H new ATOM 0 HE1 PHE A 5 5.722 14.669 8.732 1.00 0.27 H new ATOM 0 HE2 PHE A 5 9.887 14.813 9.631 1.00 0.18 H new ATOM 0 HZ PHE A 5 7.897 15.829 8.590 1.00 0.24 H new ATOM 76 N ASP A 6 4.693 11.961 12.166 1.00 0.35 N ATOM 77 CA ASP A 6 3.543 12.899 12.285 1.00 0.46 C ATOM 78 C ASP A 6 3.231 13.049 13.759 1.00 0.35 C ATOM 79 O ASP A 6 3.020 14.127 14.274 1.00 0.36 O ATOM 80 CB ASP A 6 2.403 12.286 11.528 1.00 0.63 C ATOM 81 CG ASP A 6 2.897 12.170 10.120 1.00 0.75 C ATOM 82 OD1 ASP A 6 2.833 13.145 9.404 1.00 1.39 O ATOM 83 OD2 ASP A 6 3.343 11.081 9.841 1.00 0.25 O ATOM 0 H ASP A 6 4.515 11.110 11.632 1.00 0.35 H new ATOM 0 HA ASP A 6 3.747 13.888 11.876 1.00 0.46 H new ATOM 0 HB2 ASP A 6 2.137 11.311 11.935 1.00 0.63 H new ATOM 0 HB3 ASP A 6 1.510 12.909 11.584 1.00 0.63 H new ATOM 88 N LYS A 7 3.203 11.914 14.409 1.00 0.35 N ATOM 89 CA LYS A 7 2.918 11.922 15.862 1.00 0.48 C ATOM 90 C LYS A 7 3.955 12.872 16.461 1.00 0.46 C ATOM 91 O LYS A 7 3.586 13.751 17.208 1.00 0.53 O ATOM 92 CB LYS A 7 3.066 10.494 16.397 1.00 0.59 C ATOM 93 CG LYS A 7 2.514 10.450 17.834 1.00 0.83 C ATOM 94 CD LYS A 7 2.293 8.956 18.215 1.00 1.43 C ATOM 95 CE LYS A 7 2.161 8.802 19.733 1.00 2.33 C ATOM 96 NZ LYS A 7 0.982 9.580 20.204 1.00 5.11 N ATOM 0 H LYS A 7 3.364 10.995 13.996 1.00 0.35 H new ATOM 0 HA LYS A 7 1.910 12.251 16.112 1.00 0.48 H new ATOM 0 HB2 LYS A 7 2.524 9.794 15.762 1.00 0.59 H new ATOM 0 HB3 LYS A 7 4.113 10.191 16.384 1.00 0.59 H new ATOM 0 HG2 LYS A 7 3.212 10.921 18.526 1.00 0.83 H new ATOM 0 HG3 LYS A 7 1.577 11.003 17.900 1.00 0.83 H new ATOM 0 HD2 LYS A 7 1.395 8.579 17.726 1.00 1.43 H new ATOM 0 HD3 LYS A 7 3.128 8.355 17.854 1.00 1.43 H new ATOM 0 HE2 LYS A 7 2.046 7.750 19.995 1.00 2.33 H new ATOM 0 HE3 LYS A 7 3.066 9.156 20.226 1.00 2.33 H new ATOM 0 HZ1 LYS A 7 0.432 9.005 20.874 1.00 5.11 H new ATOM 0 HZ2 LYS A 7 1.305 10.448 20.677 1.00 5.11 H new ATOM 0 HZ3 LYS A 7 0.384 9.831 19.391 1.00 5.11 H new ATOM 110 N ALA A 8 5.214 12.704 16.120 1.00 0.43 N ATOM 111 CA ALA A 8 6.254 13.599 16.674 1.00 0.46 C ATOM 112 C ALA A 8 5.929 15.077 16.364 1.00 0.28 C ATOM 113 O ALA A 8 5.869 15.913 17.232 1.00 0.31 O ATOM 114 CB ALA A 8 7.581 13.068 16.057 1.00 0.62 C ATOM 0 H ALA A 8 5.554 11.984 15.483 1.00 0.43 H new ATOM 0 HA ALA A 8 6.322 13.587 17.762 1.00 0.46 H new ATOM 0 HB1 ALA A 8 8.415 13.673 16.412 1.00 0.62 H new ATOM 0 HB2 ALA A 8 7.732 12.031 16.356 1.00 0.62 H new ATOM 0 HB3 ALA A 8 7.526 13.128 14.970 1.00 0.62 H new ATOM 120 N ALA A 9 5.700 15.366 15.124 1.00 0.21 N ATOM 121 CA ALA A 9 5.372 16.762 14.672 1.00 0.36 C ATOM 122 C ALA A 9 4.136 17.328 15.399 1.00 0.27 C ATOM 123 O ALA A 9 4.079 18.485 15.770 1.00 0.25 O ATOM 124 CB ALA A 9 5.119 16.739 13.163 1.00 0.58 C ATOM 0 H ALA A 9 5.724 14.679 14.370 1.00 0.21 H new ATOM 0 HA ALA A 9 6.215 17.410 14.913 1.00 0.36 H new ATOM 0 HB1 ALA A 9 4.879 17.745 12.819 1.00 0.58 H new ATOM 0 HB2 ALA A 9 6.012 16.383 12.650 1.00 0.58 H new ATOM 0 HB3 ALA A 9 4.285 16.072 12.944 1.00 0.58 H new ATOM 130 N GLU A 10 3.188 16.460 15.605 1.00 0.27 N ATOM 131 CA GLU A 10 1.895 16.766 16.273 1.00 0.09 C ATOM 132 C GLU A 10 2.164 17.058 17.747 1.00 0.21 C ATOM 133 O GLU A 10 1.689 18.061 18.249 1.00 0.30 O ATOM 134 CB GLU A 10 1.054 15.523 15.969 1.00 0.40 C ATOM 135 CG GLU A 10 -0.402 15.564 16.490 1.00 0.86 C ATOM 136 CD GLU A 10 -1.092 14.309 15.941 1.00 1.44 C ATOM 137 OE1 GLU A 10 -0.928 13.258 16.534 1.00 1.57 O ATOM 138 OE2 GLU A 10 -1.746 14.418 14.917 1.00 1.82 O ATOM 0 H GLU A 10 3.267 15.485 15.316 1.00 0.27 H new ATOM 0 HA GLU A 10 1.362 17.653 15.932 1.00 0.09 H new ATOM 0 HB2 GLU A 10 1.032 15.375 14.889 1.00 0.40 H new ATOM 0 HB3 GLU A 10 1.552 14.654 16.399 1.00 0.40 H new ATOM 0 HG2 GLU A 10 -0.425 15.575 17.580 1.00 0.86 H new ATOM 0 HG3 GLU A 10 -0.911 16.467 16.152 1.00 0.86 H new ATOM 145 N GLU A 11 2.916 16.201 18.386 1.00 0.32 N ATOM 146 CA GLU A 11 3.235 16.402 19.817 1.00 0.45 C ATOM 147 C GLU A 11 4.172 17.651 19.939 1.00 0.32 C ATOM 148 O GLU A 11 3.998 18.485 20.807 1.00 0.35 O ATOM 149 CB GLU A 11 3.882 15.058 20.290 1.00 0.65 C ATOM 150 CG GLU A 11 2.819 13.871 20.397 1.00 0.75 C ATOM 151 CD GLU A 11 3.312 12.612 21.166 1.00 1.14 C ATOM 152 OE1 GLU A 11 4.356 12.666 21.791 1.00 2.00 O ATOM 153 OE2 GLU A 11 2.598 11.617 21.109 1.00 1.95 O ATOM 0 H GLU A 11 3.323 15.365 17.968 1.00 0.32 H new ATOM 0 HA GLU A 11 2.375 16.615 20.451 1.00 0.45 H new ATOM 0 HB2 GLU A 11 4.671 14.773 19.593 1.00 0.65 H new ATOM 0 HB3 GLU A 11 4.353 15.208 21.261 1.00 0.65 H new ATOM 0 HG2 GLU A 11 1.923 14.250 20.888 1.00 0.75 H new ATOM 0 HG3 GLU A 11 2.529 13.572 19.390 1.00 0.75 H new ATOM 160 N VAL A 12 5.151 17.772 19.071 1.00 0.28 N ATOM 161 CA VAL A 12 6.086 18.948 19.121 1.00 0.23 C ATOM 162 C VAL A 12 5.254 20.214 19.071 1.00 0.16 C ATOM 163 O VAL A 12 5.437 21.083 19.893 1.00 0.14 O ATOM 164 CB VAL A 12 7.109 18.901 17.931 1.00 0.29 C ATOM 165 CG1 VAL A 12 6.854 19.914 16.786 1.00 0.39 C ATOM 166 CG2 VAL A 12 8.482 19.241 18.501 1.00 0.50 C ATOM 0 H VAL A 12 5.345 17.104 18.325 1.00 0.28 H new ATOM 0 HA VAL A 12 6.667 18.922 20.043 1.00 0.23 H new ATOM 0 HB VAL A 12 7.016 17.905 17.499 1.00 0.29 H new ATOM 0 HG11 VAL A 12 7.618 19.795 16.018 1.00 0.39 H new ATOM 0 HG12 VAL A 12 5.871 19.732 16.351 1.00 0.39 H new ATOM 0 HG13 VAL A 12 6.893 20.929 17.182 1.00 0.39 H new ATOM 0 HG21 VAL A 12 9.223 19.219 17.702 1.00 0.50 H new ATOM 0 HG22 VAL A 12 8.456 20.237 18.944 1.00 0.50 H new ATOM 0 HG23 VAL A 12 8.750 18.511 19.265 1.00 0.50 H new ATOM 176 N LYS A 13 4.349 20.328 18.136 1.00 0.13 N ATOM 177 CA LYS A 13 3.494 21.576 18.084 1.00 0.04 C ATOM 178 C LYS A 13 2.712 21.816 19.414 1.00 0.16 C ATOM 179 O LYS A 13 1.992 22.786 19.526 1.00 0.26 O ATOM 180 CB LYS A 13 2.473 21.445 16.948 1.00 0.23 C ATOM 181 CG LYS A 13 3.165 21.453 15.574 1.00 2.30 C ATOM 182 CD LYS A 13 2.114 21.183 14.453 1.00 2.65 C ATOM 183 CE LYS A 13 1.419 19.840 14.701 1.00 3.75 C ATOM 184 NZ LYS A 13 0.713 19.391 13.456 1.00 5.72 N ATOM 0 H LYS A 13 4.158 19.633 17.414 1.00 0.13 H new ATOM 0 HA LYS A 13 4.165 22.419 17.922 1.00 0.04 H new ATOM 0 HB2 LYS A 13 1.908 20.521 17.068 1.00 0.23 H new ATOM 0 HB3 LYS A 13 1.757 22.265 17.002 1.00 0.23 H new ATOM 0 HG2 LYS A 13 3.651 22.414 15.406 1.00 2.30 H new ATOM 0 HG3 LYS A 13 3.945 20.692 15.545 1.00 2.30 H new ATOM 0 HD2 LYS A 13 1.377 21.986 14.433 1.00 2.65 H new ATOM 0 HD3 LYS A 13 2.603 21.175 13.479 1.00 2.65 H new ATOM 0 HE2 LYS A 13 2.152 19.092 15.003 1.00 3.75 H new ATOM 0 HE3 LYS A 13 0.705 19.936 15.519 1.00 3.75 H new ATOM 0 HZ1 LYS A 13 0.244 18.480 13.632 1.00 5.72 H new ATOM 0 HZ2 LYS A 13 0.002 20.100 13.186 1.00 5.72 H new ATOM 0 HZ3 LYS A 13 1.403 19.282 12.686 1.00 5.72 H new ATOM 198 N HIS A 14 2.885 20.941 20.364 1.00 0.18 N ATOM 199 CA HIS A 14 2.200 21.035 21.675 1.00 0.30 C ATOM 200 C HIS A 14 3.219 20.807 22.808 1.00 0.48 C ATOM 201 O HIS A 14 2.826 20.464 23.902 1.00 0.51 O ATOM 202 CB HIS A 14 1.070 19.974 21.712 1.00 0.30 C ATOM 203 CG HIS A 14 0.007 20.297 20.656 1.00 0.55 C ATOM 204 ND1 HIS A 14 -0.029 19.825 19.454 1.00 0.66 N ATOM 205 CD2 HIS A 14 -1.099 21.125 20.727 1.00 0.77 C ATOM 206 CE1 HIS A 14 -1.059 20.306 18.826 1.00 0.93 C ATOM 207 NE2 HIS A 14 -1.751 21.119 19.584 1.00 1.00 N ATOM 0 H HIS A 14 3.500 20.132 20.277 1.00 0.18 H new ATOM 0 HA HIS A 14 1.764 22.024 21.813 1.00 0.30 H new ATOM 0 HB2 HIS A 14 1.485 18.983 21.529 1.00 0.30 H new ATOM 0 HB3 HIS A 14 0.615 19.951 22.702 1.00 0.30 H new ATOM 0 HD1 HIS A 14 0.649 19.173 19.058 1.00 0.66 H new ATOM 0 HD2 HIS A 14 -1.387 21.696 21.598 1.00 0.77 H new ATOM 0 HE1 HIS A 14 -1.313 20.065 17.804 1.00 0.93 H new ATOM 215 N LEU A 15 4.494 20.996 22.553 1.00 0.65 N ATOM 216 CA LEU A 15 5.485 20.778 23.665 1.00 0.91 C ATOM 217 C LEU A 15 5.184 21.647 24.895 1.00 0.79 C ATOM 218 O LEU A 15 4.723 22.764 24.762 1.00 0.78 O ATOM 219 CB LEU A 15 6.903 21.168 23.253 1.00 1.40 C ATOM 220 CG LEU A 15 7.615 20.194 22.357 1.00 1.80 C ATOM 221 CD1 LEU A 15 8.953 20.826 22.050 1.00 2.42 C ATOM 222 CD2 LEU A 15 7.856 18.863 23.087 1.00 2.09 C ATOM 0 H LEU A 15 4.885 21.282 21.655 1.00 0.65 H new ATOM 0 HA LEU A 15 5.403 19.715 23.893 1.00 0.91 H new ATOM 0 HB2 LEU A 15 6.862 22.133 22.749 1.00 1.40 H new ATOM 0 HB3 LEU A 15 7.499 21.305 24.156 1.00 1.40 H new ATOM 0 HG LEU A 15 7.029 19.987 21.462 1.00 1.80 H new ATOM 0 HD11 LEU A 15 9.526 20.166 21.398 1.00 2.42 H new ATOM 0 HD12 LEU A 15 8.798 21.783 21.552 1.00 2.42 H new ATOM 0 HD13 LEU A 15 9.502 20.985 22.978 1.00 2.42 H new ATOM 0 HD21 LEU A 15 8.373 18.171 22.421 1.00 2.09 H new ATOM 0 HD22 LEU A 15 8.467 19.039 23.972 1.00 2.09 H new ATOM 0 HD23 LEU A 15 6.900 18.433 23.385 1.00 2.09 H new ATOM 234 N LYS A 16 5.464 21.125 26.056 1.00 0.77 N ATOM 235 CA LYS A 16 5.231 21.885 27.331 1.00 0.76 C ATOM 236 C LYS A 16 5.858 23.310 27.275 1.00 0.64 C ATOM 237 O LYS A 16 5.493 24.204 28.008 1.00 0.63 O ATOM 238 CB LYS A 16 5.847 21.042 28.464 1.00 0.78 C ATOM 239 CG LYS A 16 5.405 21.562 29.849 1.00 1.04 C ATOM 240 CD LYS A 16 6.033 20.614 30.919 1.00 1.30 C ATOM 241 CE LYS A 16 5.060 20.294 32.061 1.00 2.37 C ATOM 242 NZ LYS A 16 3.838 19.716 31.439 1.00 4.19 N ATOM 0 H LYS A 16 5.851 20.190 26.184 1.00 0.77 H new ATOM 0 HA LYS A 16 4.165 22.039 27.497 1.00 0.76 H new ATOM 0 HB2 LYS A 16 5.547 20.000 28.351 1.00 0.78 H new ATOM 0 HB3 LYS A 16 6.934 21.070 28.392 1.00 0.78 H new ATOM 0 HG2 LYS A 16 5.740 22.588 30.000 1.00 1.04 H new ATOM 0 HG3 LYS A 16 4.318 21.567 29.929 1.00 1.04 H new ATOM 0 HD2 LYS A 16 6.344 19.686 30.440 1.00 1.30 H new ATOM 0 HD3 LYS A 16 6.930 21.078 31.329 1.00 1.30 H new ATOM 0 HE2 LYS A 16 5.506 19.589 32.762 1.00 2.37 H new ATOM 0 HE3 LYS A 16 4.817 21.195 32.625 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 3.442 18.986 32.065 1.00 4.19 H new ATOM 0 HZ2 LYS A 16 3.133 20.467 31.295 1.00 4.19 H new ATOM 0 HZ3 LYS A 16 4.083 19.290 30.522 1.00 4.19 H new ATOM 256 N THR A 17 6.816 23.470 26.401 1.00 0.71 N ATOM 257 CA THR A 17 7.552 24.771 26.194 1.00 0.67 C ATOM 258 C THR A 17 8.028 24.932 24.729 1.00 0.88 C ATOM 259 O THR A 17 7.774 24.091 23.889 1.00 0.97 O ATOM 260 CB THR A 17 8.733 24.769 27.197 1.00 0.95 C ATOM 261 OG1 THR A 17 8.158 24.826 28.496 1.00 1.42 O ATOM 262 CG2 THR A 17 9.615 26.001 27.238 1.00 1.05 C ATOM 0 H THR A 17 7.139 22.720 25.790 1.00 0.71 H new ATOM 0 HA THR A 17 6.898 25.624 26.375 1.00 0.67 H new ATOM 0 HB THR A 17 9.325 23.904 26.900 1.00 0.95 H new ATOM 0 HG1 THR A 17 8.870 24.825 29.169 1.00 1.42 H new ATOM 0 HG21 THR A 17 10.399 25.863 27.983 1.00 1.05 H new ATOM 0 HG22 THR A 17 10.068 26.157 26.259 1.00 1.05 H new ATOM 0 HG23 THR A 17 9.013 26.871 27.502 1.00 1.05 H new ATOM 270 N LYS A 18 8.705 26.016 24.437 1.00 1.15 N ATOM 271 CA LYS A 18 9.216 26.253 23.033 1.00 1.62 C ATOM 272 C LYS A 18 10.715 25.864 22.875 1.00 1.64 C ATOM 273 O LYS A 18 11.533 26.309 23.663 1.00 1.68 O ATOM 274 CB LYS A 18 9.123 27.759 22.594 1.00 1.99 C ATOM 275 CG LYS A 18 9.425 27.793 21.038 1.00 4.24 C ATOM 276 CD LYS A 18 9.774 29.215 20.489 1.00 5.09 C ATOM 277 CE LYS A 18 11.219 29.621 20.845 1.00 5.53 C ATOM 278 NZ LYS A 18 11.470 31.009 20.337 1.00 6.84 N ATOM 0 H LYS A 18 8.930 26.753 25.105 1.00 1.15 H new ATOM 0 HA LYS A 18 8.574 25.627 22.413 1.00 1.62 H new ATOM 0 HB2 LYS A 18 8.134 28.165 22.806 1.00 1.99 H new ATOM 0 HB3 LYS A 18 9.842 28.368 23.142 1.00 1.99 H new ATOM 0 HG2 LYS A 18 10.254 27.119 20.824 1.00 4.24 H new ATOM 0 HG3 LYS A 18 8.557 27.411 20.501 1.00 4.24 H new ATOM 0 HD2 LYS A 18 9.648 29.229 19.406 1.00 5.09 H new ATOM 0 HD3 LYS A 18 9.078 29.946 20.901 1.00 5.09 H new ATOM 0 HE2 LYS A 18 11.367 29.582 21.924 1.00 5.53 H new ATOM 0 HE3 LYS A 18 11.928 28.922 20.400 1.00 5.53 H new ATOM 0 HZ1 LYS A 18 12.311 31.403 20.805 1.00 6.84 H new ATOM 0 HZ2 LYS A 18 11.628 30.979 19.309 1.00 6.84 H new ATOM 0 HZ3 LYS A 18 10.646 31.609 20.543 1.00 6.84 H new ATOM 292 N PRO A 19 11.071 25.047 21.911 1.00 1.69 N ATOM 293 CA PRO A 19 12.500 24.665 21.723 1.00 1.77 C ATOM 294 C PRO A 19 13.306 25.910 21.252 1.00 1.70 C ATOM 295 O PRO A 19 12.760 26.961 20.953 1.00 1.78 O ATOM 296 CB PRO A 19 12.457 23.534 20.677 1.00 1.94 C ATOM 297 CG PRO A 19 10.982 23.053 20.724 1.00 2.30 C ATOM 298 CD PRO A 19 10.184 24.349 20.941 1.00 1.75 C ATOM 0 HA PRO A 19 12.997 24.323 22.631 1.00 1.77 H new ATOM 0 HB2 PRO A 19 12.730 23.894 19.685 1.00 1.94 H new ATOM 0 HB3 PRO A 19 13.150 22.730 20.926 1.00 1.94 H new ATOM 0 HG2 PRO A 19 10.693 22.555 19.798 1.00 2.30 H new ATOM 0 HG3 PRO A 19 10.818 22.341 21.533 1.00 2.30 H new ATOM 0 HD2 PRO A 19 10.051 24.914 20.019 1.00 1.75 H new ATOM 0 HD3 PRO A 19 9.190 24.162 21.347 1.00 1.75 H new ATOM 306 N ALA A 20 14.599 25.749 21.193 1.00 1.63 N ATOM 307 CA ALA A 20 15.457 26.892 20.744 1.00 1.61 C ATOM 308 C ALA A 20 15.032 27.190 19.281 1.00 1.01 C ATOM 309 O ALA A 20 14.570 26.310 18.571 1.00 0.74 O ATOM 310 CB ALA A 20 16.926 26.448 20.848 1.00 1.83 C ATOM 0 H ALA A 20 15.097 24.891 21.431 1.00 1.63 H new ATOM 0 HA ALA A 20 15.343 27.793 21.347 1.00 1.61 H new ATOM 0 HB1 ALA A 20 17.576 27.262 20.527 1.00 1.83 H new ATOM 0 HB2 ALA A 20 17.155 26.187 21.881 1.00 1.83 H new ATOM 0 HB3 ALA A 20 17.090 25.580 20.210 1.00 1.83 H new ATOM 316 N ASP A 21 15.179 28.396 18.818 1.00 0.83 N ATOM 317 CA ASP A 21 14.753 28.634 17.420 1.00 0.31 C ATOM 318 C ASP A 21 15.523 27.723 16.473 1.00 0.41 C ATOM 319 O ASP A 21 14.970 27.286 15.489 1.00 0.58 O ATOM 320 CB ASP A 21 14.911 30.178 17.277 1.00 0.62 C ATOM 321 CG ASP A 21 13.775 30.756 18.155 1.00 2.90 C ATOM 322 OD1 ASP A 21 12.675 30.235 18.053 1.00 4.07 O ATOM 323 OD2 ASP A 21 13.957 31.682 18.918 1.00 3.73 O ATOM 0 H ASP A 21 15.559 29.196 19.323 1.00 0.83 H new ATOM 0 HA ASP A 21 13.729 28.369 17.156 1.00 0.31 H new ATOM 0 HB2 ASP A 21 15.890 30.512 17.621 1.00 0.62 H new ATOM 0 HB3 ASP A 21 14.813 30.494 16.239 1.00 0.62 H new ATOM 328 N GLU A 22 16.754 27.426 16.751 1.00 0.40 N ATOM 329 CA GLU A 22 17.489 26.513 15.830 1.00 0.55 C ATOM 330 C GLU A 22 16.742 25.148 15.836 1.00 0.54 C ATOM 331 O GLU A 22 16.692 24.465 14.827 1.00 0.46 O ATOM 332 CB GLU A 22 18.961 26.336 16.324 1.00 0.85 C ATOM 333 CG GLU A 22 19.555 27.686 16.869 1.00 0.62 C ATOM 334 CD GLU A 22 19.127 27.938 18.324 1.00 2.34 C ATOM 335 OE1 GLU A 22 19.543 27.134 19.135 1.00 1.60 O ATOM 336 OE2 GLU A 22 18.404 28.900 18.528 1.00 4.56 O ATOM 0 H GLU A 22 17.279 27.765 17.557 1.00 0.40 H new ATOM 0 HA GLU A 22 17.523 26.920 14.820 1.00 0.55 H new ATOM 0 HB2 GLU A 22 18.994 25.580 17.109 1.00 0.85 H new ATOM 0 HB3 GLU A 22 19.579 25.971 15.504 1.00 0.85 H new ATOM 0 HG2 GLU A 22 20.643 27.658 16.807 1.00 0.62 H new ATOM 0 HG3 GLU A 22 19.221 28.512 16.241 1.00 0.62 H new ATOM 343 N GLU A 23 16.161 24.768 16.954 1.00 0.72 N ATOM 344 CA GLU A 23 15.421 23.464 17.008 1.00 0.81 C ATOM 345 C GLU A 23 14.131 23.727 16.181 1.00 0.72 C ATOM 346 O GLU A 23 13.832 22.959 15.283 1.00 0.71 O ATOM 347 CB GLU A 23 15.111 23.091 18.525 1.00 0.87 C ATOM 348 CG GLU A 23 16.442 22.700 19.289 1.00 0.94 C ATOM 349 CD GLU A 23 16.215 22.164 20.718 1.00 0.74 C ATOM 350 OE1 GLU A 23 15.732 22.931 21.543 1.00 0.89 O ATOM 351 OE2 GLU A 23 16.545 21.004 20.928 1.00 0.58 O ATOM 0 H GLU A 23 16.167 25.300 17.824 1.00 0.72 H new ATOM 0 HA GLU A 23 15.979 22.619 16.604 1.00 0.81 H new ATOM 0 HB2 GLU A 23 14.635 23.936 19.022 1.00 0.87 H new ATOM 0 HB3 GLU A 23 14.406 22.260 18.564 1.00 0.87 H new ATOM 0 HG2 GLU A 23 16.972 21.944 18.709 1.00 0.94 H new ATOM 0 HG3 GLU A 23 17.090 23.575 19.340 1.00 0.94 H new ATOM 358 N MET A 24 13.407 24.780 16.497 1.00 0.67 N ATOM 359 CA MET A 24 12.143 25.134 15.745 1.00 0.65 C ATOM 360 C MET A 24 12.450 24.998 14.233 1.00 0.43 C ATOM 361 O MET A 24 11.744 24.356 13.478 1.00 0.44 O ATOM 362 CB MET A 24 11.731 26.602 16.072 1.00 0.72 C ATOM 363 CG MET A 24 11.232 26.779 17.519 1.00 0.77 C ATOM 364 SD MET A 24 9.662 25.974 17.931 1.00 2.78 S ATOM 365 CE MET A 24 8.512 27.141 17.158 1.00 1.49 C ATOM 0 H MET A 24 13.638 25.422 17.255 1.00 0.67 H new ATOM 0 HA MET A 24 11.324 24.475 16.032 1.00 0.65 H new ATOM 0 HB2 MET A 24 12.585 27.259 15.905 1.00 0.72 H new ATOM 0 HB3 MET A 24 10.947 26.916 15.382 1.00 0.72 H new ATOM 0 HG2 MET A 24 11.999 26.399 18.194 1.00 0.77 H new ATOM 0 HG3 MET A 24 11.132 27.846 17.718 1.00 0.77 H new ATOM 0 HE1 MET A 24 7.488 26.800 17.314 1.00 1.49 H new ATOM 0 HE2 MET A 24 8.639 28.127 17.605 1.00 1.49 H new ATOM 0 HE3 MET A 24 8.716 27.199 16.089 1.00 1.49 H new ATOM 375 N LEU A 25 13.531 25.645 13.875 1.00 0.27 N ATOM 376 CA LEU A 25 14.065 25.682 12.504 1.00 0.21 C ATOM 377 C LEU A 25 14.401 24.281 12.034 1.00 0.21 C ATOM 378 O LEU A 25 14.019 23.907 10.952 1.00 0.27 O ATOM 379 CB LEU A 25 15.302 26.589 12.545 1.00 0.19 C ATOM 380 CG LEU A 25 14.891 28.062 12.417 1.00 0.29 C ATOM 381 CD1 LEU A 25 16.099 28.933 12.726 1.00 0.31 C ATOM 382 CD2 LEU A 25 14.535 28.326 10.956 1.00 0.39 C ATOM 0 H LEU A 25 14.092 26.181 14.537 1.00 0.27 H new ATOM 0 HA LEU A 25 13.337 26.075 11.794 1.00 0.21 H new ATOM 0 HB2 LEU A 25 15.842 26.436 13.479 1.00 0.19 H new ATOM 0 HB3 LEU A 25 15.982 26.323 11.736 1.00 0.19 H new ATOM 0 HG LEU A 25 14.060 28.277 13.089 1.00 0.29 H new ATOM 0 HD11 LEU A 25 15.822 29.984 12.639 1.00 0.31 H new ATOM 0 HD12 LEU A 25 16.443 28.731 13.740 1.00 0.31 H new ATOM 0 HD13 LEU A 25 16.899 28.709 12.020 1.00 0.31 H new ATOM 0 HD21 LEU A 25 14.238 29.368 10.836 1.00 0.39 H new ATOM 0 HD22 LEU A 25 15.402 28.121 10.328 1.00 0.39 H new ATOM 0 HD23 LEU A 25 13.710 27.678 10.660 1.00 0.39 H new ATOM 394 N PHE A 26 15.080 23.526 12.861 1.00 0.27 N ATOM 395 CA PHE A 26 15.448 22.134 12.449 1.00 0.33 C ATOM 396 C PHE A 26 14.141 21.427 12.119 1.00 0.25 C ATOM 397 O PHE A 26 14.031 20.856 11.057 1.00 0.32 O ATOM 398 CB PHE A 26 16.172 21.410 13.591 1.00 0.44 C ATOM 399 CG PHE A 26 16.605 20.021 13.077 1.00 0.47 C ATOM 400 CD1 PHE A 26 15.716 18.959 13.025 1.00 0.35 C ATOM 401 CD2 PHE A 26 17.905 19.815 12.653 1.00 0.66 C ATOM 402 CE1 PHE A 26 16.115 17.720 12.563 1.00 0.43 C ATOM 403 CE2 PHE A 26 18.307 18.577 12.188 1.00 0.75 C ATOM 404 CZ PHE A 26 17.411 17.528 12.144 1.00 0.64 C ATOM 0 H PHE A 26 15.392 23.806 13.791 1.00 0.27 H new ATOM 0 HA PHE A 26 16.122 22.141 11.593 1.00 0.33 H new ATOM 0 HB2 PHE A 26 17.040 21.984 13.916 1.00 0.44 H new ATOM 0 HB3 PHE A 26 15.515 21.309 14.455 1.00 0.44 H new ATOM 0 HD1 PHE A 26 14.696 19.102 13.351 1.00 0.35 H new ATOM 0 HD2 PHE A 26 18.613 20.630 12.686 1.00 0.66 H new ATOM 0 HE1 PHE A 26 15.410 16.903 12.531 1.00 0.43 H new ATOM 0 HE2 PHE A 26 19.325 18.430 11.858 1.00 0.75 H new ATOM 0 HZ PHE A 26 17.726 16.560 11.782 1.00 0.64 H new ATOM 414 N ILE A 27 13.194 21.488 13.029 1.00 0.19 N ATOM 415 CA ILE A 27 11.865 20.834 12.799 1.00 0.19 C ATOM 416 C ILE A 27 11.389 21.445 11.478 1.00 0.13 C ATOM 417 O ILE A 27 11.498 20.781 10.482 1.00 0.12 O ATOM 418 CB ILE A 27 10.942 21.182 14.011 1.00 0.29 C ATOM 419 CG1 ILE A 27 11.107 20.156 15.193 1.00 0.41 C ATOM 420 CG2 ILE A 27 9.424 21.200 13.629 1.00 0.35 C ATOM 421 CD1 ILE A 27 12.568 20.000 15.677 1.00 0.45 C ATOM 0 H ILE A 27 13.287 21.966 13.925 1.00 0.19 H new ATOM 0 HA ILE A 27 11.880 19.746 12.731 1.00 0.19 H new ATOM 0 HB ILE A 27 11.258 22.178 14.321 1.00 0.29 H new ATOM 0 HG12 ILE A 27 10.488 20.477 16.031 1.00 0.41 H new ATOM 0 HG13 ILE A 27 10.733 19.183 14.874 1.00 0.41 H new ATOM 0 HG21 ILE A 27 8.830 21.447 14.509 1.00 0.35 H new ATOM 0 HG22 ILE A 27 9.253 21.947 12.854 1.00 0.35 H new ATOM 0 HG23 ILE A 27 9.131 20.218 13.258 1.00 0.35 H new ATOM 0 HD11 ILE A 27 12.606 19.278 16.493 1.00 0.45 H new ATOM 0 HD12 ILE A 27 13.189 19.649 14.853 1.00 0.45 H new ATOM 0 HD13 ILE A 27 12.940 20.963 16.027 1.00 0.45 H new ATOM 433 N TYR A 28 10.866 22.642 11.487 1.00 0.21 N ATOM 434 CA TYR A 28 10.400 23.296 10.213 1.00 0.27 C ATOM 435 C TYR A 28 11.133 22.801 8.943 1.00 0.26 C ATOM 436 O TYR A 28 10.532 22.300 8.011 1.00 0.32 O ATOM 437 CB TYR A 28 10.596 24.784 10.311 1.00 0.31 C ATOM 438 CG TYR A 28 9.839 25.446 9.144 1.00 0.49 C ATOM 439 CD1 TYR A 28 8.481 25.676 9.255 1.00 2.82 C ATOM 440 CD2 TYR A 28 10.491 25.838 7.988 1.00 1.98 C ATOM 441 CE1 TYR A 28 7.789 26.293 8.231 1.00 2.99 C ATOM 442 CE2 TYR A 28 9.800 26.457 6.966 1.00 1.89 C ATOM 443 CZ TYR A 28 8.443 26.689 7.089 1.00 0.94 C ATOM 444 OH TYR A 28 7.707 27.341 6.124 1.00 1.27 O ATOM 0 H TYR A 28 10.737 23.206 12.327 1.00 0.21 H new ATOM 0 HA TYR A 28 9.349 23.025 10.109 1.00 0.27 H new ATOM 0 HB2 TYR A 28 10.223 25.155 11.266 1.00 0.31 H new ATOM 0 HB3 TYR A 28 11.657 25.032 10.266 1.00 0.31 H new ATOM 0 HD1 TYR A 28 7.957 25.371 10.149 1.00 2.82 H new ATOM 0 HD2 TYR A 28 11.551 25.658 7.885 1.00 1.98 H new ATOM 0 HE1 TYR A 28 6.727 26.465 8.328 1.00 2.99 H new ATOM 0 HE2 TYR A 28 10.320 26.760 6.069 1.00 1.89 H new ATOM 0 HH TYR A 28 8.287 27.568 5.368 1.00 1.27 H new ATOM 454 N SER A 29 12.430 22.925 8.938 1.00 0.24 N ATOM 455 CA SER A 29 13.270 22.498 7.778 1.00 0.31 C ATOM 456 C SER A 29 13.137 20.989 7.491 1.00 0.24 C ATOM 457 O SER A 29 12.733 20.600 6.412 1.00 0.28 O ATOM 458 CB SER A 29 14.742 22.944 8.133 1.00 0.45 C ATOM 459 OG SER A 29 15.164 22.284 9.325 1.00 0.50 O ATOM 0 H SER A 29 12.962 23.317 9.715 1.00 0.24 H new ATOM 0 HA SER A 29 12.946 22.966 6.849 1.00 0.31 H new ATOM 0 HB2 SER A 29 15.416 22.700 7.311 1.00 0.45 H new ATOM 0 HB3 SER A 29 14.783 24.025 8.269 1.00 0.45 H new ATOM 0 HG SER A 29 15.152 22.918 10.072 1.00 0.50 H new ATOM 465 N HIS A 30 13.463 20.151 8.430 1.00 0.17 N ATOM 466 CA HIS A 30 13.356 18.670 8.233 1.00 0.18 C ATOM 467 C HIS A 30 11.916 18.208 8.017 1.00 0.11 C ATOM 468 O HIS A 30 11.684 17.305 7.245 1.00 0.10 O ATOM 469 CB HIS A 30 13.958 18.008 9.458 1.00 0.23 C ATOM 470 CG HIS A 30 15.454 18.053 9.262 1.00 0.46 C ATOM 471 ND1 HIS A 30 16.106 17.184 8.575 1.00 2.42 N ATOM 472 CD2 HIS A 30 16.404 18.941 9.707 1.00 1.76 C ATOM 473 CE1 HIS A 30 17.367 17.490 8.585 1.00 2.02 C ATOM 474 NE2 HIS A 30 17.596 18.578 9.277 1.00 0.92 N ATOM 0 H HIS A 30 13.807 20.430 9.349 1.00 0.17 H new ATOM 0 HA HIS A 30 13.894 18.387 7.328 1.00 0.18 H new ATOM 0 HB2 HIS A 30 13.668 18.533 10.368 1.00 0.23 H new ATOM 0 HB3 HIS A 30 13.608 16.980 9.558 1.00 0.23 H new ATOM 0 HD2 HIS A 30 16.203 19.808 10.319 1.00 1.76 H new ATOM 0 HE1 HIS A 30 18.134 16.918 8.084 1.00 2.02 H new ATOM 0 HE2 HIS A 30 18.491 19.038 9.445 1.00 0.92 H new ATOM 482 N TYR A 31 10.986 18.834 8.684 1.00 0.08 N ATOM 483 CA TYR A 31 9.549 18.467 8.551 1.00 0.09 C ATOM 484 C TYR A 31 9.262 18.712 7.090 1.00 0.09 C ATOM 485 O TYR A 31 8.668 17.872 6.443 1.00 0.16 O ATOM 486 CB TYR A 31 8.702 19.376 9.459 1.00 0.16 C ATOM 487 CG TYR A 31 7.207 19.125 9.227 1.00 0.11 C ATOM 488 CD1 TYR A 31 6.552 19.769 8.196 1.00 2.46 C ATOM 489 CD2 TYR A 31 6.498 18.253 10.035 1.00 2.28 C ATOM 490 CE1 TYR A 31 5.213 19.545 7.976 1.00 2.58 C ATOM 491 CE2 TYR A 31 5.150 18.028 9.811 1.00 2.16 C ATOM 492 CZ TYR A 31 4.505 18.682 8.774 1.00 0.30 C ATOM 493 OH TYR A 31 3.165 18.509 8.504 1.00 0.41 O ATOM 0 H TYR A 31 11.167 19.602 9.330 1.00 0.08 H new ATOM 0 HA TYR A 31 9.319 17.443 8.847 1.00 0.09 H new ATOM 0 HB2 TYR A 31 8.950 19.189 10.504 1.00 0.16 H new ATOM 0 HB3 TYR A 31 8.937 20.421 9.258 1.00 0.16 H new ATOM 0 HD1 TYR A 31 7.094 20.452 7.559 1.00 2.46 H new ATOM 0 HD2 TYR A 31 6.999 17.745 10.845 1.00 2.28 H new ATOM 0 HE1 TYR A 31 4.713 20.054 7.166 1.00 2.58 H new ATOM 0 HE2 TYR A 31 4.603 17.344 10.443 1.00 2.16 H new ATOM 0 HH TYR A 31 2.782 17.871 9.142 1.00 0.41 H new ATOM 503 N LYS A 32 9.695 19.847 6.587 1.00 0.13 N ATOM 504 CA LYS A 32 9.405 20.063 5.134 1.00 0.22 C ATOM 505 C LYS A 32 10.176 18.951 4.352 1.00 0.19 C ATOM 506 O LYS A 32 9.547 18.197 3.637 1.00 0.25 O ATOM 507 CB LYS A 32 9.857 21.479 4.729 1.00 0.31 C ATOM 508 CG LYS A 32 8.989 22.597 5.354 1.00 0.29 C ATOM 509 CD LYS A 32 7.460 22.388 5.060 1.00 0.55 C ATOM 510 CE LYS A 32 6.758 23.672 5.442 1.00 0.55 C ATOM 511 NZ LYS A 32 5.265 23.554 5.322 1.00 1.07 N ATOM 0 H LYS A 32 10.201 20.584 7.078 1.00 0.13 H new ATOM 0 HA LYS A 32 8.341 19.994 4.909 1.00 0.22 H new ATOM 0 HB2 LYS A 32 10.895 21.622 5.030 1.00 0.31 H new ATOM 0 HB3 LYS A 32 9.825 21.567 3.643 1.00 0.31 H new ATOM 0 HG2 LYS A 32 9.151 22.622 6.432 1.00 0.29 H new ATOM 0 HG3 LYS A 32 9.305 23.564 4.962 1.00 0.29 H new ATOM 0 HD2 LYS A 32 7.297 22.158 4.007 1.00 0.55 H new ATOM 0 HD3 LYS A 32 7.068 21.548 5.634 1.00 0.55 H new ATOM 0 HE2 LYS A 32 7.020 23.937 6.466 1.00 0.55 H new ATOM 0 HE3 LYS A 32 7.110 24.482 4.803 1.00 0.55 H new ATOM 0 HZ1 LYS A 32 4.823 24.455 5.593 1.00 1.07 H new ATOM 0 HZ2 LYS A 32 5.013 23.326 4.339 1.00 1.07 H new ATOM 0 HZ3 LYS A 32 4.925 22.799 5.951 1.00 1.07 H new ATOM 525 N GLN A 33 11.481 18.834 4.484 1.00 0.18 N ATOM 526 CA GLN A 33 12.224 17.733 3.721 1.00 0.26 C ATOM 527 C GLN A 33 11.549 16.339 3.779 1.00 0.15 C ATOM 528 O GLN A 33 11.387 15.648 2.794 1.00 0.14 O ATOM 529 CB GLN A 33 13.689 17.547 4.247 1.00 0.48 C ATOM 530 CG GLN A 33 14.370 16.403 3.399 1.00 1.66 C ATOM 531 CD GLN A 33 14.441 16.834 1.932 1.00 0.53 C ATOM 532 OE1 GLN A 33 14.924 17.909 1.674 1.00 2.61 O ATOM 533 NE2 GLN A 33 14.022 16.127 0.932 1.00 0.91 N ATOM 0 H GLN A 33 12.065 19.431 5.069 1.00 0.18 H new ATOM 0 HA GLN A 33 12.207 18.087 2.690 1.00 0.26 H new ATOM 0 HB2 GLN A 33 14.249 18.477 4.151 1.00 0.48 H new ATOM 0 HB3 GLN A 33 13.684 17.285 5.305 1.00 0.48 H new ATOM 0 HG2 GLN A 33 15.371 16.200 3.779 1.00 1.66 H new ATOM 0 HG3 GLN A 33 13.800 15.478 3.491 1.00 1.66 H new ATOM 0 HE21 GLN A 33 13.605 15.210 1.095 1.00 0.91 H new ATOM 0 HE22 GLN A 33 14.109 16.487 -0.019 1.00 0.91 H new ATOM 542 N ALA A 34 11.188 15.954 4.962 1.00 0.21 N ATOM 543 CA ALA A 34 10.523 14.660 5.263 1.00 0.26 C ATOM 544 C ALA A 34 9.114 14.616 4.652 1.00 0.24 C ATOM 545 O ALA A 34 8.738 13.594 4.118 1.00 0.23 O ATOM 546 CB ALA A 34 10.496 14.532 6.791 1.00 0.40 C ATOM 0 H ALA A 34 11.339 16.527 5.792 1.00 0.21 H new ATOM 0 HA ALA A 34 11.062 13.820 4.825 1.00 0.26 H new ATOM 0 HB1 ALA A 34 10.015 13.594 7.069 1.00 0.40 H new ATOM 0 HB2 ALA A 34 11.516 14.545 7.175 1.00 0.40 H new ATOM 0 HB3 ALA A 34 9.937 15.366 7.216 1.00 0.40 H new ATOM 552 N THR A 35 8.355 15.678 4.707 1.00 0.24 N ATOM 553 CA THR A 35 6.969 15.611 4.097 1.00 0.28 C ATOM 554 C THR A 35 6.943 16.028 2.635 1.00 0.64 C ATOM 555 O THR A 35 6.683 15.212 1.770 1.00 1.41 O ATOM 556 CB THR A 35 5.962 16.529 4.858 1.00 0.36 C ATOM 557 OG1 THR A 35 6.541 17.818 4.827 1.00 0.58 O ATOM 558 CG2 THR A 35 5.897 16.212 6.345 1.00 0.49 C ATOM 0 H THR A 35 8.612 16.569 5.131 1.00 0.24 H new ATOM 0 HA THR A 35 6.678 14.564 4.180 1.00 0.28 H new ATOM 0 HB THR A 35 4.978 16.417 4.403 1.00 0.36 H new ATOM 0 HG1 THR A 35 7.171 17.912 5.572 1.00 0.58 H new ATOM 0 HG21 THR A 35 5.182 16.878 6.828 1.00 0.49 H new ATOM 0 HG22 THR A 35 5.580 15.178 6.483 1.00 0.49 H new ATOM 0 HG23 THR A 35 6.882 16.352 6.790 1.00 0.49 H new ATOM 566 N VAL A 36 7.262 17.266 2.428 1.00 0.26 N ATOM 567 CA VAL A 36 7.291 17.911 1.061 1.00 0.48 C ATOM 568 C VAL A 36 8.541 17.551 0.257 1.00 0.51 C ATOM 569 O VAL A 36 8.456 17.242 -0.916 1.00 0.75 O ATOM 570 CB VAL A 36 7.270 19.486 1.186 1.00 0.54 C ATOM 571 CG1 VAL A 36 7.171 20.158 -0.225 1.00 0.79 C ATOM 572 CG2 VAL A 36 6.116 20.016 2.068 1.00 0.36 C ATOM 0 H VAL A 36 7.520 17.903 3.181 1.00 0.26 H new ATOM 0 HA VAL A 36 6.407 17.534 0.546 1.00 0.48 H new ATOM 0 HB VAL A 36 8.210 19.751 1.670 1.00 0.54 H new ATOM 0 HG11 VAL A 36 7.158 21.242 -0.112 1.00 0.79 H new ATOM 0 HG12 VAL A 36 8.031 19.866 -0.828 1.00 0.79 H new ATOM 0 HG13 VAL A 36 6.255 19.834 -0.719 1.00 0.79 H new ATOM 0 HG21 VAL A 36 6.161 21.104 2.111 1.00 0.36 H new ATOM 0 HG22 VAL A 36 5.161 19.709 1.641 1.00 0.36 H new ATOM 0 HG23 VAL A 36 6.211 19.609 3.075 1.00 0.36 H new ATOM 582 N GLY A 37 9.662 17.592 0.911 1.00 0.32 N ATOM 583 CA GLY A 37 10.966 17.276 0.240 1.00 0.37 C ATOM 584 C GLY A 37 11.848 18.520 0.288 1.00 0.36 C ATOM 585 O GLY A 37 11.754 19.340 1.181 1.00 0.42 O ATOM 0 H GLY A 37 9.740 17.834 1.899 1.00 0.32 H new ATOM 0 HA2 GLY A 37 11.458 16.443 0.742 1.00 0.37 H new ATOM 0 HA3 GLY A 37 10.797 16.971 -0.793 1.00 0.37 H new ATOM 589 N ASP A 38 12.710 18.603 -0.683 1.00 0.48 N ATOM 590 CA ASP A 38 13.645 19.739 -0.815 1.00 0.74 C ATOM 591 C ASP A 38 12.914 21.078 -0.801 1.00 0.88 C ATOM 592 O ASP A 38 11.706 21.133 -0.725 1.00 1.89 O ATOM 593 CB ASP A 38 14.383 19.596 -2.130 1.00 1.05 C ATOM 594 CG ASP A 38 14.959 18.231 -2.417 1.00 1.04 C ATOM 595 OD1 ASP A 38 14.630 17.287 -1.734 1.00 1.95 O ATOM 596 OD2 ASP A 38 15.727 18.256 -3.358 1.00 2.76 O ATOM 0 H ASP A 38 12.804 17.900 -1.416 1.00 0.48 H new ATOM 0 HA ASP A 38 14.332 19.723 0.031 1.00 0.74 H new ATOM 0 HB2 ASP A 38 13.700 19.858 -2.938 1.00 1.05 H new ATOM 0 HB3 ASP A 38 15.195 20.323 -2.150 1.00 1.05 H new ATOM 601 N ILE A 39 13.653 22.143 -0.914 1.00 0.59 N ATOM 602 CA ILE A 39 12.968 23.469 -0.899 1.00 0.46 C ATOM 603 C ILE A 39 12.637 23.772 -2.360 1.00 0.75 C ATOM 604 O ILE A 39 13.465 23.754 -3.255 1.00 0.99 O ATOM 605 CB ILE A 39 13.938 24.471 -0.242 1.00 0.40 C ATOM 606 CG1 ILE A 39 13.034 25.596 0.325 1.00 0.24 C ATOM 607 CG2 ILE A 39 14.987 25.021 -1.260 1.00 0.72 C ATOM 608 CD1 ILE A 39 13.836 26.380 1.360 1.00 0.50 C ATOM 0 H ILE A 39 14.668 22.160 -1.013 1.00 0.59 H new ATOM 0 HA ILE A 39 12.042 23.512 -0.326 1.00 0.46 H new ATOM 0 HB ILE A 39 14.532 24.001 0.541 1.00 0.40 H new ATOM 0 HG12 ILE A 39 12.701 26.256 -0.476 1.00 0.24 H new ATOM 0 HG13 ILE A 39 12.140 25.171 0.780 1.00 0.24 H new ATOM 0 HG21 ILE A 39 15.650 25.723 -0.755 1.00 0.72 H new ATOM 0 HG22 ILE A 39 15.572 24.194 -1.662 1.00 0.72 H new ATOM 0 HG23 ILE A 39 14.471 25.530 -2.074 1.00 0.72 H new ATOM 0 HD11 ILE A 39 13.217 27.177 1.772 1.00 0.50 H new ATOM 0 HD12 ILE A 39 14.147 25.711 2.162 1.00 0.50 H new ATOM 0 HD13 ILE A 39 14.717 26.812 0.886 1.00 0.50 H new ATOM 805 N LYS A 52 13.612 34.224 6.392 1.00 0.77 N ATOM 806 CA LYS A 52 14.886 33.882 5.643 1.00 0.80 C ATOM 807 C LYS A 52 15.545 32.661 6.334 1.00 0.59 C ATOM 808 O LYS A 52 15.981 31.737 5.681 1.00 0.72 O ATOM 809 CB LYS A 52 15.808 35.106 5.679 1.00 0.95 C ATOM 810 CG LYS A 52 17.015 34.893 4.711 1.00 2.07 C ATOM 811 CD LYS A 52 17.916 36.184 4.677 1.00 2.11 C ATOM 812 CE LYS A 52 18.528 36.511 6.045 1.00 2.22 C ATOM 813 NZ LYS A 52 19.399 35.365 6.434 1.00 2.31 N ATOM 0 HA LYS A 52 14.684 33.627 4.603 1.00 0.80 H new ATOM 0 HB2 LYS A 52 15.253 35.999 5.391 1.00 0.95 H new ATOM 0 HB3 LYS A 52 16.170 35.270 6.694 1.00 0.95 H new ATOM 0 HG2 LYS A 52 17.605 34.037 5.037 1.00 2.07 H new ATOM 0 HG3 LYS A 52 16.652 34.667 3.708 1.00 2.07 H new ATOM 0 HD2 LYS A 52 18.715 36.046 3.949 1.00 2.11 H new ATOM 0 HD3 LYS A 52 17.319 37.031 4.338 1.00 2.11 H new ATOM 0 HE2 LYS A 52 19.108 37.433 5.995 1.00 2.22 H new ATOM 0 HE3 LYS A 52 17.745 36.667 6.787 1.00 2.22 H new ATOM 0 HZ1 LYS A 52 20.032 35.656 7.206 1.00 2.31 H new ATOM 0 HZ2 LYS A 52 18.807 34.571 6.752 1.00 2.31 H new ATOM 0 HZ3 LYS A 52 19.966 35.067 5.615 1.00 2.31 H new ATOM 827 N ALA A 53 15.560 32.697 7.646 1.00 0.38 N ATOM 828 CA ALA A 53 16.176 31.566 8.410 1.00 0.38 C ATOM 829 C ALA A 53 15.385 30.297 8.026 1.00 0.31 C ATOM 830 O ALA A 53 15.932 29.395 7.440 1.00 0.47 O ATOM 831 CB ALA A 53 16.063 31.889 9.905 1.00 0.37 C ATOM 0 H ALA A 53 15.177 33.452 8.215 1.00 0.38 H new ATOM 0 HA ALA A 53 17.231 31.414 8.182 1.00 0.38 H new ATOM 0 HB1 ALA A 53 16.505 31.080 10.486 1.00 0.37 H new ATOM 0 HB2 ALA A 53 16.591 32.819 10.117 1.00 0.37 H new ATOM 0 HB3 ALA A 53 15.013 31.998 10.175 1.00 0.37 H new ATOM 837 N LYS A 54 14.124 30.228 8.350 1.00 0.19 N ATOM 838 CA LYS A 54 13.333 29.006 7.973 1.00 0.25 C ATOM 839 C LYS A 54 13.598 28.443 6.566 1.00 0.23 C ATOM 840 O LYS A 54 13.894 27.278 6.353 1.00 0.19 O ATOM 841 CB LYS A 54 11.869 29.313 8.045 1.00 0.50 C ATOM 842 CG LYS A 54 11.426 29.592 9.489 1.00 2.35 C ATOM 843 CD LYS A 54 10.000 29.087 9.583 1.00 3.80 C ATOM 844 CE LYS A 54 9.078 29.897 8.657 1.00 3.64 C ATOM 845 NZ LYS A 54 7.836 29.086 8.512 1.00 5.62 N ATOM 0 H LYS A 54 13.606 30.949 8.852 1.00 0.19 H new ATOM 0 HA LYS A 54 13.657 28.250 8.688 1.00 0.25 H new ATOM 0 HB2 LYS A 54 11.646 30.178 7.421 1.00 0.50 H new ATOM 0 HB3 LYS A 54 11.300 28.475 7.643 1.00 0.50 H new ATOM 0 HG2 LYS A 54 12.071 29.080 10.203 1.00 2.35 H new ATOM 0 HG3 LYS A 54 11.481 30.656 9.717 1.00 2.35 H new ATOM 0 HD2 LYS A 54 9.963 28.032 9.310 1.00 3.80 H new ATOM 0 HD3 LYS A 54 9.649 29.163 10.612 1.00 3.80 H new ATOM 0 HE2 LYS A 54 8.858 30.876 9.083 1.00 3.64 H new ATOM 0 HE3 LYS A 54 9.549 30.068 7.689 1.00 3.64 H new ATOM 0 HZ1 LYS A 54 7.216 29.524 7.801 1.00 5.62 H new ATOM 0 HZ2 LYS A 54 8.084 28.123 8.209 1.00 5.62 H new ATOM 0 HZ3 LYS A 54 7.340 29.045 9.425 1.00 5.62 H new ATOM 859 N TRP A 55 13.497 29.347 5.633 1.00 0.33 N ATOM 860 CA TRP A 55 13.696 28.947 4.236 1.00 0.46 C ATOM 861 C TRP A 55 15.073 28.421 3.992 1.00 0.39 C ATOM 862 O TRP A 55 15.245 27.280 3.621 1.00 0.34 O ATOM 863 CB TRP A 55 13.416 30.153 3.360 1.00 0.70 C ATOM 864 CG TRP A 55 13.145 29.643 1.938 1.00 0.88 C ATOM 865 CD1 TRP A 55 11.936 29.285 1.385 1.00 1.01 C ATOM 866 CD2 TRP A 55 14.115 29.473 1.026 1.00 0.95 C ATOM 867 NE1 TRP A 55 12.284 28.924 0.162 1.00 1.08 N ATOM 868 CE2 TRP A 55 13.555 29.006 -0.142 1.00 1.06 C ATOM 869 CE3 TRP A 55 15.487 29.672 1.089 1.00 0.99 C ATOM 870 CZ2 TRP A 55 14.322 28.743 -1.249 1.00 1.15 C ATOM 871 CZ3 TRP A 55 16.283 29.404 -0.010 1.00 1.13 C ATOM 872 CH2 TRP A 55 15.701 28.942 -1.181 1.00 1.21 C ATOM 0 H TRP A 55 13.287 30.333 5.786 1.00 0.33 H new ATOM 0 HA TRP A 55 13.012 28.133 3.995 1.00 0.46 H new ATOM 0 HB2 TRP A 55 12.558 30.709 3.737 1.00 0.70 H new ATOM 0 HB3 TRP A 55 14.266 30.836 3.366 1.00 0.70 H new ATOM 0 HD1 TRP A 55 10.954 29.296 1.835 1.00 1.01 H new ATOM 0 HE1 TRP A 55 11.594 28.597 -0.514 1.00 1.08 H new ATOM 0 HE3 TRP A 55 15.935 30.038 2.001 1.00 0.99 H new ATOM 0 HZ2 TRP A 55 13.864 28.387 -2.160 1.00 1.15 H new ATOM 0 HZ3 TRP A 55 17.351 29.554 0.043 1.00 1.13 H new ATOM 0 HH2 TRP A 55 16.318 28.736 -2.043 1.00 1.21 H new ATOM 883 N ASP A 56 16.020 29.260 4.232 1.00 0.45 N ATOM 884 CA ASP A 56 17.425 28.836 4.012 1.00 0.56 C ATOM 885 C ASP A 56 17.660 27.515 4.783 1.00 0.48 C ATOM 886 O ASP A 56 18.226 26.584 4.261 1.00 0.49 O ATOM 887 CB ASP A 56 18.274 29.997 4.493 1.00 0.69 C ATOM 888 CG ASP A 56 18.257 31.121 3.454 1.00 0.84 C ATOM 889 OD1 ASP A 56 17.182 31.588 3.106 1.00 2.86 O ATOM 890 OD2 ASP A 56 19.335 31.495 3.027 1.00 1.57 O ATOM 0 H ASP A 56 15.893 30.215 4.568 1.00 0.45 H new ATOM 0 HA ASP A 56 17.678 28.623 2.973 1.00 0.56 H new ATOM 0 HB2 ASP A 56 17.895 30.365 5.446 1.00 0.69 H new ATOM 0 HB3 ASP A 56 19.298 29.664 4.664 1.00 0.69 H new ATOM 895 N ALA A 57 17.195 27.468 6.003 1.00 0.41 N ATOM 896 CA ALA A 57 17.328 26.269 6.888 1.00 0.37 C ATOM 897 C ALA A 57 16.738 25.020 6.195 1.00 0.28 C ATOM 898 O ALA A 57 17.226 23.922 6.350 1.00 0.28 O ATOM 899 CB ALA A 57 16.585 26.535 8.200 1.00 0.28 C ATOM 0 H ALA A 57 16.706 28.248 6.443 1.00 0.41 H new ATOM 0 HA ALA A 57 18.383 26.085 7.090 1.00 0.37 H new ATOM 0 HB1 ALA A 57 16.676 25.666 8.852 1.00 0.28 H new ATOM 0 HB2 ALA A 57 17.017 27.406 8.693 1.00 0.28 H new ATOM 0 HB3 ALA A 57 15.532 26.722 7.990 1.00 0.28 H new ATOM 905 N TRP A 58 15.681 25.203 5.447 1.00 0.22 N ATOM 906 CA TRP A 58 15.083 24.028 4.743 1.00 0.20 C ATOM 907 C TRP A 58 15.938 23.819 3.476 1.00 0.26 C ATOM 908 O TRP A 58 16.272 22.699 3.152 1.00 0.37 O ATOM 909 CB TRP A 58 13.656 24.368 4.434 1.00 0.23 C ATOM 910 CG TRP A 58 13.010 23.266 3.575 1.00 0.28 C ATOM 911 CD1 TRP A 58 13.466 21.995 3.291 1.00 0.29 C ATOM 912 CD2 TRP A 58 11.846 23.462 2.946 1.00 0.30 C ATOM 913 NE1 TRP A 58 12.514 21.531 2.495 1.00 0.30 N ATOM 914 CE2 TRP A 58 11.501 22.335 2.224 1.00 0.31 C ATOM 915 CE3 TRP A 58 11.028 24.591 2.956 1.00 0.30 C ATOM 916 CZ2 TRP A 58 10.323 22.331 1.485 1.00 0.31 C ATOM 917 CZ3 TRP A 58 9.850 24.588 2.223 1.00 0.31 C ATOM 918 CH2 TRP A 58 9.500 23.461 1.486 1.00 0.31 C ATOM 0 H TRP A 58 15.213 26.096 5.294 1.00 0.22 H new ATOM 0 HA TRP A 58 15.080 23.107 5.327 1.00 0.20 H new ATOM 0 HB2 TRP A 58 13.096 24.489 5.361 1.00 0.23 H new ATOM 0 HB3 TRP A 58 13.609 25.321 3.907 1.00 0.23 H new ATOM 0 HD1 TRP A 58 14.367 21.505 3.630 1.00 0.29 H new ATOM 0 HE1 TRP A 58 12.561 20.589 2.106 1.00 0.30 H new ATOM 0 HE3 TRP A 58 11.309 25.461 3.530 1.00 0.30 H new ATOM 0 HZ2 TRP A 58 10.045 21.458 0.913 1.00 0.31 H new ATOM 0 HZ3 TRP A 58 9.208 25.456 2.225 1.00 0.31 H new ATOM 0 HH2 TRP A 58 8.586 23.459 0.911 1.00 0.31 H new ATOM 929 N ASN A 59 16.275 24.879 2.789 1.00 0.24 N ATOM 930 CA ASN A 59 17.121 24.782 1.553 1.00 0.29 C ATOM 931 C ASN A 59 18.350 23.920 1.929 1.00 0.29 C ATOM 932 O ASN A 59 18.732 23.031 1.206 1.00 0.25 O ATOM 933 CB ASN A 59 17.470 26.232 1.168 1.00 0.34 C ATOM 934 CG ASN A 59 18.669 26.282 0.264 1.00 0.61 C ATOM 935 OD1 ASN A 59 18.736 25.652 -0.771 1.00 0.63 O ATOM 936 ND2 ASN A 59 19.642 27.042 0.649 1.00 0.99 N ATOM 0 H ASN A 59 15.996 25.829 3.035 1.00 0.24 H new ATOM 0 HA ASN A 59 16.641 24.310 0.695 1.00 0.29 H new ATOM 0 HB2 ASN A 59 16.617 26.694 0.671 1.00 0.34 H new ATOM 0 HB3 ASN A 59 17.667 26.813 2.069 1.00 0.34 H new ATOM 0 HD21 ASN A 59 20.485 27.120 0.079 1.00 0.99 H new ATOM 0 HD22 ASN A 59 19.567 27.564 1.522 1.00 0.99 H new ATOM 943 N GLU A 60 18.897 24.241 3.070 1.00 0.34 N ATOM 944 CA GLU A 60 20.082 23.585 3.705 1.00 0.38 C ATOM 945 C GLU A 60 19.937 22.034 3.660 1.00 0.40 C ATOM 946 O GLU A 60 20.892 21.286 3.709 1.00 0.55 O ATOM 947 CB GLU A 60 20.143 24.108 5.149 1.00 0.49 C ATOM 948 CG GLU A 60 21.505 23.775 5.792 1.00 0.85 C ATOM 949 CD GLU A 60 22.585 24.683 5.212 1.00 2.55 C ATOM 950 OE1 GLU A 60 22.543 25.846 5.570 1.00 2.78 O ATOM 951 OE2 GLU A 60 23.379 24.163 4.451 1.00 4.49 O ATOM 0 H GLU A 60 18.532 25.005 3.638 1.00 0.34 H new ATOM 0 HA GLU A 60 21.005 23.821 3.175 1.00 0.38 H new ATOM 0 HB2 GLU A 60 19.985 25.186 5.157 1.00 0.49 H new ATOM 0 HB3 GLU A 60 19.339 23.664 5.736 1.00 0.49 H new ATOM 0 HG2 GLU A 60 21.449 23.905 6.873 1.00 0.85 H new ATOM 0 HG3 GLU A 60 21.758 22.731 5.610 1.00 0.85 H new ATOM 958 N LEU A 61 18.694 21.626 3.573 1.00 0.39 N ATOM 959 CA LEU A 61 18.277 20.190 3.514 1.00 0.38 C ATOM 960 C LEU A 61 17.923 19.728 2.092 1.00 0.20 C ATOM 961 O LEU A 61 17.933 18.537 1.849 1.00 0.24 O ATOM 962 CB LEU A 61 17.049 19.960 4.427 1.00 0.50 C ATOM 963 CG LEU A 61 17.280 20.522 5.843 1.00 0.55 C ATOM 964 CD1 LEU A 61 16.033 20.208 6.650 1.00 0.58 C ATOM 965 CD2 LEU A 61 18.458 19.819 6.523 1.00 0.59 C ATOM 0 H LEU A 61 17.906 22.273 3.539 1.00 0.39 H new ATOM 0 HA LEU A 61 19.132 19.605 3.853 1.00 0.38 H new ATOM 0 HB2 LEU A 61 16.173 20.435 3.985 1.00 0.50 H new ATOM 0 HB3 LEU A 61 16.836 18.893 4.489 1.00 0.50 H new ATOM 0 HG LEU A 61 17.489 21.590 5.784 1.00 0.55 H new ATOM 0 HD11 LEU A 61 16.151 20.589 7.665 1.00 0.58 H new ATOM 0 HD12 LEU A 61 15.169 20.681 6.183 1.00 0.58 H new ATOM 0 HD13 LEU A 61 15.883 19.129 6.683 1.00 0.58 H new ATOM 0 HD21 LEU A 61 18.602 20.233 7.521 1.00 0.59 H new ATOM 0 HD22 LEU A 61 18.250 18.752 6.599 1.00 0.59 H new ATOM 0 HD23 LEU A 61 19.362 19.971 5.934 1.00 0.59 H new ATOM 977 N LYS A 62 17.625 20.623 1.178 1.00 0.14 N ATOM 978 CA LYS A 62 17.277 20.224 -0.228 1.00 0.21 C ATOM 979 C LYS A 62 18.274 19.134 -0.648 1.00 0.99 C ATOM 980 O LYS A 62 19.458 19.331 -0.463 1.00 3.33 O ATOM 981 CB LYS A 62 17.377 21.515 -1.111 1.00 0.36 C ATOM 982 CG LYS A 62 17.485 21.087 -2.590 1.00 0.78 C ATOM 983 CD LYS A 62 16.803 22.081 -3.552 1.00 1.57 C ATOM 984 CE LYS A 62 16.823 21.436 -4.941 1.00 2.60 C ATOM 985 NZ LYS A 62 15.931 20.233 -4.863 1.00 3.92 N ATOM 0 H LYS A 62 17.608 21.629 1.348 1.00 0.14 H new ATOM 0 HA LYS A 62 16.270 19.820 -0.333 1.00 0.21 H new ATOM 0 HB2 LYS A 62 16.500 22.145 -0.962 1.00 0.36 H new ATOM 0 HB3 LYS A 62 18.247 22.105 -0.823 1.00 0.36 H new ATOM 0 HG2 LYS A 62 18.537 20.991 -2.860 1.00 0.78 H new ATOM 0 HG3 LYS A 62 17.034 20.102 -2.712 1.00 0.78 H new ATOM 0 HD2 LYS A 62 15.780 22.286 -3.235 1.00 1.57 H new ATOM 0 HD3 LYS A 62 17.331 23.035 -3.561 1.00 1.57 H new ATOM 0 HE2 LYS A 62 16.467 22.134 -5.699 1.00 2.60 H new ATOM 0 HE3 LYS A 62 17.837 21.150 -5.222 1.00 2.60 H new ATOM 0 HZ1 LYS A 62 15.788 19.845 -5.817 1.00 3.92 H new ATOM 0 HZ2 LYS A 62 16.373 19.512 -4.258 1.00 3.92 H new ATOM 0 HZ3 LYS A 62 15.013 20.507 -4.459 1.00 3.92 H new ATOM 999 N GLY A 63 17.826 18.044 -1.214 1.00 0.76 N ATOM 1000 CA GLY A 63 18.789 16.958 -1.611 1.00 0.39 C ATOM 1001 C GLY A 63 18.620 15.800 -0.639 1.00 0.33 C ATOM 1002 O GLY A 63 18.756 14.650 -1.015 1.00 0.35 O ATOM 0 H GLY A 63 16.845 17.854 -1.420 1.00 0.76 H new ATOM 0 HA2 GLY A 63 18.593 16.630 -2.632 1.00 0.39 H new ATOM 0 HA3 GLY A 63 19.813 17.330 -1.586 1.00 0.39 H new ATOM 1006 N THR A 64 18.336 16.121 0.600 1.00 0.42 N ATOM 1007 CA THR A 64 18.160 15.013 1.572 1.00 0.41 C ATOM 1008 C THR A 64 16.932 14.226 1.124 1.00 0.49 C ATOM 1009 O THR A 64 16.064 14.743 0.439 1.00 0.86 O ATOM 1010 CB THR A 64 17.946 15.576 3.011 1.00 0.62 C ATOM 1011 OG1 THR A 64 19.240 15.855 3.530 1.00 0.83 O ATOM 1012 CG2 THR A 64 17.446 14.527 4.008 1.00 0.30 C ATOM 0 H THR A 64 18.223 17.067 0.965 1.00 0.42 H new ATOM 0 HA THR A 64 19.045 14.377 1.600 1.00 0.41 H new ATOM 0 HB THR A 64 17.243 16.404 2.920 1.00 0.62 H new ATOM 0 HG1 THR A 64 19.158 16.215 4.438 1.00 0.83 H new ATOM 0 HG21 THR A 64 17.319 14.988 4.988 1.00 0.30 H new ATOM 0 HG22 THR A 64 16.490 14.128 3.668 1.00 0.30 H new ATOM 0 HG23 THR A 64 18.172 13.717 4.079 1.00 0.30 H new ATOM 1020 N SER A 65 16.913 12.978 1.517 1.00 0.22 N ATOM 1021 CA SER A 65 15.766 12.098 1.151 1.00 0.48 C ATOM 1022 C SER A 65 14.782 11.999 2.323 1.00 0.24 C ATOM 1023 O SER A 65 15.146 12.013 3.491 1.00 0.35 O ATOM 1024 CB SER A 65 16.283 10.724 0.791 1.00 0.75 C ATOM 1025 OG SER A 65 15.093 10.140 0.269 1.00 2.74 O ATOM 0 H SER A 65 17.642 12.532 2.075 1.00 0.22 H new ATOM 0 HA SER A 65 15.244 12.524 0.294 1.00 0.48 H new ATOM 0 HB2 SER A 65 17.086 10.761 0.055 1.00 0.75 H new ATOM 0 HB3 SER A 65 16.667 10.184 1.656 1.00 0.75 H new ATOM 0 HG SER A 65 15.278 9.221 -0.016 1.00 2.74 H new ATOM 1031 N LYS A 66 13.541 11.880 1.944 1.00 0.44 N ATOM 1032 CA LYS A 66 12.383 11.774 2.888 1.00 0.78 C ATOM 1033 C LYS A 66 12.654 11.030 4.199 1.00 0.60 C ATOM 1034 O LYS A 66 12.499 11.575 5.273 1.00 0.47 O ATOM 1035 CB LYS A 66 11.265 11.123 2.059 1.00 1.18 C ATOM 1036 CG LYS A 66 9.959 10.928 2.869 1.00 1.52 C ATOM 1037 CD LYS A 66 8.749 10.729 1.894 1.00 0.91 C ATOM 1038 CE LYS A 66 8.608 11.850 0.818 1.00 0.97 C ATOM 1039 NZ LYS A 66 8.603 13.190 1.491 1.00 3.74 N ATOM 0 H LYS A 66 13.265 11.850 0.963 1.00 0.44 H new ATOM 0 HA LYS A 66 12.120 12.765 3.259 1.00 0.78 H new ATOM 0 HB2 LYS A 66 11.058 11.742 1.186 1.00 1.18 H new ATOM 0 HB3 LYS A 66 11.607 10.156 1.690 1.00 1.18 H new ATOM 0 HG2 LYS A 66 10.054 10.063 3.525 1.00 1.52 H new ATOM 0 HG3 LYS A 66 9.784 11.794 3.507 1.00 1.52 H new ATOM 0 HD2 LYS A 66 8.856 9.768 1.391 1.00 0.91 H new ATOM 0 HD3 LYS A 66 7.830 10.682 2.478 1.00 0.91 H new ATOM 0 HE2 LYS A 66 9.431 11.792 0.106 1.00 0.97 H new ATOM 0 HE3 LYS A 66 7.687 11.712 0.252 1.00 0.97 H new ATOM 0 HZ1 LYS A 66 7.804 13.754 1.136 1.00 3.74 H new ATOM 0 HZ2 LYS A 66 8.507 13.062 2.519 1.00 3.74 H new ATOM 0 HZ3 LYS A 66 9.494 13.685 1.286 1.00 3.74 H new ATOM 1053 N GLU A 67 13.057 9.813 4.018 1.00 0.59 N ATOM 1054 CA GLU A 67 13.376 8.897 5.121 1.00 0.50 C ATOM 1055 C GLU A 67 14.406 9.470 6.101 1.00 0.41 C ATOM 1056 O GLU A 67 14.141 9.499 7.283 1.00 0.35 O ATOM 1057 CB GLU A 67 13.805 7.618 4.396 1.00 0.60 C ATOM 1058 CG GLU A 67 12.586 7.014 3.592 1.00 0.92 C ATOM 1059 CD GLU A 67 11.499 6.465 4.532 1.00 2.82 C ATOM 1060 OE1 GLU A 67 10.761 7.276 5.070 1.00 4.13 O ATOM 1061 OE2 GLU A 67 11.480 5.255 4.653 1.00 3.53 O ATOM 0 H GLU A 67 13.183 9.400 3.094 1.00 0.59 H new ATOM 0 HA GLU A 67 12.536 8.711 5.790 1.00 0.50 H new ATOM 0 HB2 GLU A 67 14.628 7.835 3.715 1.00 0.60 H new ATOM 0 HB3 GLU A 67 14.173 6.888 5.117 1.00 0.60 H new ATOM 0 HG2 GLU A 67 12.157 7.783 2.950 1.00 0.92 H new ATOM 0 HG3 GLU A 67 12.940 6.216 2.940 1.00 0.92 H new ATOM 1068 N ASP A 68 15.551 9.931 5.669 1.00 0.46 N ATOM 1069 CA ASP A 68 16.523 10.474 6.644 1.00 0.46 C ATOM 1070 C ASP A 68 15.901 11.616 7.418 1.00 0.46 C ATOM 1071 O ASP A 68 15.991 11.669 8.626 1.00 0.48 O ATOM 1072 CB ASP A 68 17.723 10.833 5.798 1.00 0.48 C ATOM 1073 CG ASP A 68 18.319 9.512 5.367 1.00 0.77 C ATOM 1074 OD1 ASP A 68 17.786 8.972 4.414 1.00 0.80 O ATOM 1075 OD2 ASP A 68 19.250 9.048 5.997 1.00 1.28 O ATOM 0 H ASP A 68 15.847 9.952 4.693 1.00 0.46 H new ATOM 0 HA ASP A 68 16.827 9.781 7.428 1.00 0.46 H new ATOM 0 HB2 ASP A 68 17.431 11.432 4.936 1.00 0.48 H new ATOM 0 HB3 ASP A 68 18.443 11.422 6.367 1.00 0.48 H new ATOM 1080 N ALA A 69 15.284 12.489 6.686 1.00 0.45 N ATOM 1081 CA ALA A 69 14.613 13.657 7.328 1.00 0.46 C ATOM 1082 C ALA A 69 13.621 13.057 8.362 1.00 0.45 C ATOM 1083 O ALA A 69 13.602 13.501 9.490 1.00 0.44 O ATOM 1084 CB ALA A 69 13.931 14.436 6.226 1.00 0.46 C ATOM 0 H ALA A 69 15.211 12.450 5.669 1.00 0.45 H new ATOM 0 HA ALA A 69 15.284 14.343 7.845 1.00 0.46 H new ATOM 0 HB1 ALA A 69 13.425 15.303 6.652 1.00 0.46 H new ATOM 0 HB2 ALA A 69 14.675 14.769 5.502 1.00 0.46 H new ATOM 0 HB3 ALA A 69 13.201 13.798 5.728 1.00 0.46 H new ATOM 1090 N MET A 70 12.831 12.085 7.963 1.00 0.44 N ATOM 1091 CA MET A 70 11.870 11.439 8.883 1.00 0.40 C ATOM 1092 C MET A 70 12.625 10.928 10.136 1.00 0.43 C ATOM 1093 O MET A 70 12.358 11.359 11.230 1.00 0.44 O ATOM 1094 CB MET A 70 11.219 10.317 8.062 1.00 0.39 C ATOM 1095 CG MET A 70 10.110 10.907 7.173 1.00 0.42 C ATOM 1096 SD MET A 70 8.958 9.812 6.305 1.00 0.54 S ATOM 1097 CE MET A 70 7.402 10.515 6.910 1.00 1.22 C ATOM 0 H MET A 70 12.821 11.712 7.014 1.00 0.44 H new ATOM 0 HA MET A 70 11.100 12.113 9.259 1.00 0.40 H new ATOM 0 HB2 MET A 70 11.969 9.822 7.445 1.00 0.39 H new ATOM 0 HB3 MET A 70 10.802 9.560 8.727 1.00 0.39 H new ATOM 0 HG2 MET A 70 9.514 11.572 7.798 1.00 0.42 H new ATOM 0 HG3 MET A 70 10.596 11.527 6.420 1.00 0.42 H new ATOM 0 HE1 MET A 70 6.564 9.966 6.481 1.00 1.22 H new ATOM 0 HE2 MET A 70 7.367 10.439 7.997 1.00 1.22 H new ATOM 0 HE3 MET A 70 7.338 11.563 6.617 1.00 1.22 H new ATOM 1107 N LYS A 71 13.557 10.043 9.919 1.00 0.44 N ATOM 1108 CA LYS A 71 14.398 9.425 10.998 1.00 0.49 C ATOM 1109 C LYS A 71 14.884 10.548 11.952 1.00 0.43 C ATOM 1110 O LYS A 71 14.599 10.598 13.131 1.00 0.52 O ATOM 1111 CB LYS A 71 15.662 8.731 10.393 1.00 0.47 C ATOM 1112 CG LYS A 71 15.361 7.624 9.360 1.00 0.57 C ATOM 1113 CD LYS A 71 16.713 7.350 8.597 1.00 1.07 C ATOM 1114 CE LYS A 71 16.443 6.785 7.209 1.00 1.71 C ATOM 1115 NZ LYS A 71 17.659 6.993 6.350 1.00 3.36 N ATOM 0 H LYS A 71 13.785 9.701 8.985 1.00 0.44 H new ATOM 0 HA LYS A 71 13.796 8.684 11.524 1.00 0.49 H new ATOM 0 HB2 LYS A 71 16.285 9.490 9.920 1.00 0.47 H new ATOM 0 HB3 LYS A 71 16.247 8.301 11.206 1.00 0.47 H new ATOM 0 HG2 LYS A 71 15.003 6.720 9.852 1.00 0.57 H new ATOM 0 HG3 LYS A 71 14.581 7.940 8.667 1.00 0.57 H new ATOM 0 HD2 LYS A 71 17.283 8.275 8.514 1.00 1.07 H new ATOM 0 HD3 LYS A 71 17.323 6.650 9.168 1.00 1.07 H new ATOM 0 HE2 LYS A 71 16.206 5.723 7.275 1.00 1.71 H new ATOM 0 HE3 LYS A 71 15.579 7.278 6.764 1.00 1.71 H new ATOM 0 HZ1 LYS A 71 17.364 7.270 5.392 1.00 3.36 H new ATOM 0 HZ2 LYS A 71 18.250 7.744 6.761 1.00 3.36 H new ATOM 0 HZ3 LYS A 71 18.206 6.110 6.302 1.00 3.36 H new ATOM 1129 N ALA A 72 15.618 11.454 11.358 1.00 0.30 N ATOM 1130 CA ALA A 72 16.205 12.624 12.057 1.00 0.24 C ATOM 1131 C ALA A 72 15.154 13.409 12.839 1.00 0.19 C ATOM 1132 O ALA A 72 15.340 13.740 13.989 1.00 0.22 O ATOM 1133 CB ALA A 72 16.870 13.461 10.961 1.00 0.34 C ATOM 0 H ALA A 72 15.842 11.421 10.363 1.00 0.30 H new ATOM 0 HA ALA A 72 16.931 12.320 12.811 1.00 0.24 H new ATOM 0 HB1 ALA A 72 17.327 14.345 11.405 1.00 0.34 H new ATOM 0 HB2 ALA A 72 17.637 12.867 10.465 1.00 0.34 H new ATOM 0 HB3 ALA A 72 16.120 13.767 10.232 1.00 0.34 H new ATOM 1139 N TYR A 73 14.068 13.684 12.176 1.00 0.27 N ATOM 1140 CA TYR A 73 12.957 14.439 12.811 1.00 0.24 C ATOM 1141 C TYR A 73 12.465 13.628 14.019 1.00 0.24 C ATOM 1142 O TYR A 73 12.411 14.150 15.114 1.00 0.24 O ATOM 1143 CB TYR A 73 11.904 14.617 11.716 1.00 0.22 C ATOM 1144 CG TYR A 73 10.797 15.543 12.194 1.00 0.19 C ATOM 1145 CD1 TYR A 73 9.719 15.073 12.917 1.00 2.38 C ATOM 1146 CD2 TYR A 73 10.886 16.885 11.900 1.00 2.40 C ATOM 1147 CE1 TYR A 73 8.743 15.950 13.339 1.00 2.34 C ATOM 1148 CE2 TYR A 73 9.916 17.752 12.320 1.00 2.44 C ATOM 1149 CZ TYR A 73 8.838 17.292 13.044 1.00 0.31 C ATOM 1150 OH TYR A 73 7.869 18.163 13.489 1.00 0.40 O ATOM 0 H TYR A 73 13.902 13.413 11.207 1.00 0.27 H new ATOM 0 HA TYR A 73 13.236 15.421 13.192 1.00 0.24 H new ATOM 0 HB2 TYR A 73 12.368 15.027 10.819 1.00 0.22 H new ATOM 0 HB3 TYR A 73 11.485 13.648 11.444 1.00 0.22 H new ATOM 0 HD1 TYR A 73 9.641 14.022 13.151 1.00 2.38 H new ATOM 0 HD2 TYR A 73 11.728 17.255 11.334 1.00 2.40 H new ATOM 0 HE1 TYR A 73 7.899 15.583 13.904 1.00 2.34 H new ATOM 0 HE2 TYR A 73 9.995 18.803 12.083 1.00 2.44 H new ATOM 0 HH TYR A 73 7.282 18.408 12.743 1.00 0.40 H new ATOM 1160 N ILE A 74 12.133 12.384 13.768 1.00 0.26 N ATOM 1161 CA ILE A 74 11.640 11.461 14.843 1.00 0.27 C ATOM 1162 C ILE A 74 12.602 11.647 16.005 1.00 0.16 C ATOM 1163 O ILE A 74 12.179 12.022 17.071 1.00 0.17 O ATOM 1164 CB ILE A 74 11.689 9.968 14.412 1.00 0.46 C ATOM 1165 CG1 ILE A 74 10.725 9.708 13.239 1.00 0.83 C ATOM 1166 CG2 ILE A 74 11.217 9.128 15.637 1.00 0.33 C ATOM 1167 CD1 ILE A 74 10.952 8.270 12.700 1.00 1.15 C ATOM 0 H ILE A 74 12.184 11.959 12.842 1.00 0.26 H new ATOM 0 HA ILE A 74 10.602 11.694 15.083 1.00 0.27 H new ATOM 0 HB ILE A 74 12.698 9.703 14.095 1.00 0.46 H new ATOM 0 HG12 ILE A 74 9.693 9.827 13.568 1.00 0.83 H new ATOM 0 HG13 ILE A 74 10.893 10.437 12.446 1.00 0.83 H new ATOM 0 HG21 ILE A 74 11.235 8.069 15.380 1.00 0.33 H new ATOM 0 HG22 ILE A 74 11.883 9.308 16.480 1.00 0.33 H new ATOM 0 HG23 ILE A 74 10.202 9.418 15.908 1.00 0.33 H new ATOM 0 HD11 ILE A 74 10.272 8.081 11.869 1.00 1.15 H new ATOM 0 HD12 ILE A 74 11.981 8.169 12.356 1.00 1.15 H new ATOM 0 HD13 ILE A 74 10.762 7.549 13.495 1.00 1.15 H new ATOM 1179 N ASP A 75 13.869 11.415 15.783 1.00 0.14 N ATOM 1180 CA ASP A 75 14.868 11.569 16.862 1.00 0.19 C ATOM 1181 C ASP A 75 14.796 12.953 17.497 1.00 0.21 C ATOM 1182 O ASP A 75 14.645 13.102 18.686 1.00 0.23 O ATOM 1183 CB ASP A 75 16.202 11.282 16.200 1.00 0.24 C ATOM 1184 CG ASP A 75 16.397 9.776 16.211 1.00 0.60 C ATOM 1185 OD1 ASP A 75 16.485 9.285 17.326 1.00 0.93 O ATOM 1186 OD2 ASP A 75 16.441 9.232 15.126 1.00 0.79 O ATOM 0 H ASP A 75 14.252 11.121 14.884 1.00 0.14 H new ATOM 0 HA ASP A 75 14.694 10.887 17.694 1.00 0.19 H new ATOM 0 HB2 ASP A 75 16.214 11.664 15.179 1.00 0.24 H new ATOM 0 HB3 ASP A 75 17.011 11.778 16.736 1.00 0.24 H new ATOM 1191 N LYS A 76 14.901 13.950 16.673 1.00 0.28 N ATOM 1192 CA LYS A 76 14.847 15.358 17.163 1.00 0.41 C ATOM 1193 C LYS A 76 13.709 15.525 18.167 1.00 0.19 C ATOM 1194 O LYS A 76 13.847 16.086 19.236 1.00 0.19 O ATOM 1195 CB LYS A 76 14.639 16.266 15.958 1.00 0.71 C ATOM 1196 CG LYS A 76 15.726 17.327 15.945 1.00 1.06 C ATOM 1197 CD LYS A 76 17.098 16.612 15.663 1.00 2.29 C ATOM 1198 CE LYS A 76 18.143 17.677 15.412 1.00 2.34 C ATOM 1199 NZ LYS A 76 18.224 18.523 16.633 1.00 1.28 N ATOM 0 H LYS A 76 15.024 13.853 15.665 1.00 0.28 H new ATOM 0 HA LYS A 76 15.776 15.620 17.670 1.00 0.41 H new ATOM 0 HB2 LYS A 76 14.671 15.683 15.037 1.00 0.71 H new ATOM 0 HB3 LYS A 76 13.656 16.735 16.005 1.00 0.71 H new ATOM 0 HG2 LYS A 76 15.521 18.074 15.178 1.00 1.06 H new ATOM 0 HG3 LYS A 76 15.758 17.851 16.900 1.00 1.06 H new ATOM 0 HD2 LYS A 76 17.384 15.991 16.512 1.00 2.29 H new ATOM 0 HD3 LYS A 76 17.012 15.952 14.800 1.00 2.29 H new ATOM 0 HE2 LYS A 76 19.110 17.222 15.196 1.00 2.34 H new ATOM 0 HE3 LYS A 76 17.874 18.280 14.545 1.00 2.34 H new ATOM 0 HZ1 LYS A 76 19.131 19.032 16.643 1.00 1.28 H new ATOM 0 HZ2 LYS A 76 17.442 19.209 16.633 1.00 1.28 H new ATOM 0 HZ3 LYS A 76 18.156 17.920 17.478 1.00 1.28 H new ATOM 1213 N VAL A 77 12.585 15.010 17.760 1.00 0.32 N ATOM 1214 CA VAL A 77 11.380 15.083 18.613 1.00 0.53 C ATOM 1215 C VAL A 77 11.610 14.185 19.819 1.00 0.59 C ATOM 1216 O VAL A 77 11.382 14.642 20.915 1.00 0.69 O ATOM 1217 CB VAL A 77 10.157 14.629 17.785 1.00 0.64 C ATOM 1218 CG1 VAL A 77 8.938 14.644 18.734 1.00 0.73 C ATOM 1219 CG2 VAL A 77 9.922 15.682 16.660 1.00 0.65 C ATOM 0 H VAL A 77 12.453 14.539 16.865 1.00 0.32 H new ATOM 0 HA VAL A 77 11.190 16.098 18.961 1.00 0.53 H new ATOM 0 HB VAL A 77 10.307 13.640 17.352 1.00 0.64 H new ATOM 0 HG11 VAL A 77 8.048 14.329 18.189 1.00 0.73 H new ATOM 0 HG12 VAL A 77 9.115 13.961 19.565 1.00 0.73 H new ATOM 0 HG13 VAL A 77 8.789 15.653 19.119 1.00 0.73 H new ATOM 0 HG21 VAL A 77 9.063 15.386 16.058 1.00 0.65 H new ATOM 0 HG22 VAL A 77 9.733 16.657 17.108 1.00 0.65 H new ATOM 0 HG23 VAL A 77 10.806 15.740 16.025 1.00 0.65 H new ATOM 1229 N GLU A 78 12.030 12.959 19.645 1.00 0.58 N ATOM 1230 CA GLU A 78 12.264 12.094 20.839 1.00 0.70 C ATOM 1231 C GLU A 78 13.105 12.929 21.820 1.00 0.44 C ATOM 1232 O GLU A 78 12.837 12.933 23.004 1.00 0.51 O ATOM 1233 CB GLU A 78 13.001 10.813 20.408 1.00 0.84 C ATOM 1234 CG GLU A 78 13.072 9.849 21.663 1.00 1.13 C ATOM 1235 CD GLU A 78 11.696 9.367 22.170 1.00 0.86 C ATOM 1236 OE1 GLU A 78 10.683 9.633 21.555 1.00 2.73 O ATOM 1237 OE2 GLU A 78 11.689 8.714 23.204 1.00 2.48 O ATOM 0 H GLU A 78 12.219 12.524 18.742 1.00 0.58 H new ATOM 0 HA GLU A 78 11.333 11.783 21.313 1.00 0.70 H new ATOM 0 HB2 GLU A 78 12.476 10.329 19.584 1.00 0.84 H new ATOM 0 HB3 GLU A 78 14.003 11.051 20.052 1.00 0.84 H new ATOM 0 HG2 GLU A 78 13.677 8.979 21.405 1.00 1.13 H new ATOM 0 HG3 GLU A 78 13.585 10.365 22.475 1.00 1.13 H new ATOM 1244 N GLU A 79 14.088 13.627 21.318 1.00 0.15 N ATOM 1245 CA GLU A 79 14.929 14.467 22.214 1.00 0.14 C ATOM 1246 C GLU A 79 14.018 15.533 22.827 1.00 0.15 C ATOM 1247 O GLU A 79 13.811 15.525 24.023 1.00 0.21 O ATOM 1248 CB GLU A 79 16.069 15.078 21.349 1.00 0.30 C ATOM 1249 CG GLU A 79 17.063 13.922 21.028 1.00 0.37 C ATOM 1250 CD GLU A 79 17.816 13.588 22.333 1.00 2.37 C ATOM 1251 OE1 GLU A 79 17.289 12.825 23.131 1.00 4.40 O ATOM 1252 OE2 GLU A 79 18.884 14.155 22.451 1.00 2.61 O ATOM 0 H GLU A 79 14.343 13.651 20.331 1.00 0.15 H new ATOM 0 HA GLU A 79 15.388 13.904 23.027 1.00 0.14 H new ATOM 0 HB2 GLU A 79 15.669 15.509 20.431 1.00 0.30 H new ATOM 0 HB3 GLU A 79 16.572 15.882 21.886 1.00 0.30 H new ATOM 0 HG2 GLU A 79 16.528 13.047 20.658 1.00 0.37 H new ATOM 0 HG3 GLU A 79 17.762 14.222 20.247 1.00 0.37 H new ATOM 1259 N LEU A 80 13.490 16.418 22.017 1.00 0.18 N ATOM 1260 CA LEU A 80 12.580 17.493 22.544 1.00 0.30 C ATOM 1261 C LEU A 80 11.539 16.985 23.521 1.00 0.49 C ATOM 1262 O LEU A 80 11.075 17.666 24.412 1.00 1.00 O ATOM 1263 CB LEU A 80 11.821 18.168 21.411 1.00 0.19 C ATOM 1264 CG LEU A 80 12.730 18.947 20.480 1.00 0.14 C ATOM 1265 CD1 LEU A 80 11.830 19.764 19.554 1.00 0.32 C ATOM 1266 CD2 LEU A 80 13.593 19.918 21.288 1.00 0.36 C ATOM 0 H LEU A 80 13.648 16.445 21.010 1.00 0.18 H new ATOM 0 HA LEU A 80 13.244 18.187 23.059 1.00 0.30 H new ATOM 0 HB2 LEU A 80 11.283 17.412 20.839 1.00 0.19 H new ATOM 0 HB3 LEU A 80 11.074 18.842 21.830 1.00 0.19 H new ATOM 0 HG LEU A 80 13.377 18.268 19.925 1.00 0.14 H new ATOM 0 HD11 LEU A 80 12.446 20.342 18.865 1.00 0.32 H new ATOM 0 HD12 LEU A 80 11.185 19.092 18.988 1.00 0.32 H new ATOM 0 HD13 LEU A 80 11.216 20.442 20.148 1.00 0.32 H new ATOM 0 HD21 LEU A 80 14.244 20.474 20.613 1.00 0.36 H new ATOM 0 HD22 LEU A 80 12.950 20.613 21.828 1.00 0.36 H new ATOM 0 HD23 LEU A 80 14.201 19.359 21.999 1.00 0.36 H new ATOM 1278 N LYS A 81 11.208 15.756 23.331 1.00 0.47 N ATOM 1279 CA LYS A 81 10.198 15.067 24.174 1.00 0.71 C ATOM 1280 C LYS A 81 10.890 14.801 25.504 1.00 0.56 C ATOM 1281 O LYS A 81 10.382 15.227 26.521 1.00 0.53 O ATOM 1282 CB LYS A 81 9.826 13.816 23.402 1.00 0.95 C ATOM 1283 CG LYS A 81 8.959 12.803 24.161 1.00 1.25 C ATOM 1284 CD LYS A 81 8.956 11.568 23.219 1.00 2.33 C ATOM 1285 CE LYS A 81 7.888 10.537 23.543 1.00 1.67 C ATOM 1286 NZ LYS A 81 8.112 9.399 22.588 1.00 2.65 N ATOM 0 H LYS A 81 11.608 15.170 22.598 1.00 0.47 H new ATOM 0 HA LYS A 81 9.282 15.619 24.383 1.00 0.71 H new ATOM 0 HB2 LYS A 81 9.297 14.113 22.496 1.00 0.95 H new ATOM 0 HB3 LYS A 81 10.743 13.319 23.087 1.00 0.95 H new ATOM 0 HG2 LYS A 81 9.380 12.564 25.138 1.00 1.25 H new ATOM 0 HG3 LYS A 81 7.952 13.182 24.332 1.00 1.25 H new ATOM 0 HD2 LYS A 81 8.816 11.909 22.193 1.00 2.33 H new ATOM 0 HD3 LYS A 81 9.934 11.088 23.265 1.00 2.33 H new ATOM 0 HE2 LYS A 81 7.970 10.201 24.577 1.00 1.67 H new ATOM 0 HE3 LYS A 81 6.890 10.957 23.422 1.00 1.67 H new ATOM 0 HZ1 LYS A 81 7.337 9.369 21.895 1.00 2.65 H new ATOM 0 HZ2 LYS A 81 9.015 9.536 22.091 1.00 2.65 H new ATOM 0 HZ3 LYS A 81 8.139 8.503 23.116 1.00 2.65 H new ATOM 1300 N LYS A 82 12.020 14.132 25.458 1.00 0.48 N ATOM 1301 CA LYS A 82 12.792 13.811 26.705 1.00 0.40 C ATOM 1302 C LYS A 82 13.039 15.137 27.487 1.00 0.42 C ATOM 1303 O LYS A 82 12.820 15.237 28.672 1.00 0.49 O ATOM 1304 CB LYS A 82 14.182 13.179 26.344 1.00 0.23 C ATOM 1305 CG LYS A 82 14.158 11.795 25.636 1.00 0.92 C ATOM 1306 CD LYS A 82 13.583 10.674 26.546 1.00 1.63 C ATOM 1307 CE LYS A 82 14.062 9.281 26.061 1.00 1.95 C ATOM 1308 NZ LYS A 82 13.697 9.093 24.619 1.00 2.00 N ATOM 0 H LYS A 82 12.446 13.790 24.597 1.00 0.48 H new ATOM 0 HA LYS A 82 12.223 13.101 27.305 1.00 0.40 H new ATOM 0 HB2 LYS A 82 14.718 13.879 25.703 1.00 0.23 H new ATOM 0 HB3 LYS A 82 14.760 13.081 27.263 1.00 0.23 H new ATOM 0 HG2 LYS A 82 13.559 11.865 24.728 1.00 0.92 H new ATOM 0 HG3 LYS A 82 15.170 11.528 25.331 1.00 0.92 H new ATOM 0 HD2 LYS A 82 13.900 10.836 27.576 1.00 1.63 H new ATOM 0 HD3 LYS A 82 12.494 10.714 26.538 1.00 1.63 H new ATOM 0 HE2 LYS A 82 15.141 9.193 26.187 1.00 1.95 H new ATOM 0 HE3 LYS A 82 13.605 8.498 26.666 1.00 1.95 H new ATOM 0 HZ1 LYS A 82 13.816 8.093 24.358 1.00 2.00 H new ATOM 0 HZ2 LYS A 82 12.706 9.373 24.472 1.00 2.00 H new ATOM 0 HZ3 LYS A 82 14.315 9.682 24.025 1.00 2.00 H new ATOM 1322 N LYS A 83 13.487 16.090 26.712 1.00 0.49 N ATOM 1323 CA LYS A 83 13.856 17.507 27.095 1.00 0.65 C ATOM 1324 C LYS A 83 12.795 18.470 27.633 1.00 0.80 C ATOM 1325 O LYS A 83 12.914 19.070 28.680 1.00 0.98 O ATOM 1326 CB LYS A 83 14.504 18.121 25.838 1.00 0.45 C ATOM 1327 CG LYS A 83 15.303 19.436 26.076 1.00 0.42 C ATOM 1328 CD LYS A 83 15.897 19.860 24.683 1.00 0.32 C ATOM 1329 CE LYS A 83 16.643 21.209 24.736 1.00 0.36 C ATOM 1330 NZ LYS A 83 17.251 21.495 23.390 1.00 0.82 N ATOM 0 H LYS A 83 13.629 15.926 25.715 1.00 0.49 H new ATOM 0 HA LYS A 83 14.490 17.395 27.975 1.00 0.65 H new ATOM 0 HB2 LYS A 83 15.174 17.383 25.397 1.00 0.45 H new ATOM 0 HB3 LYS A 83 13.721 18.318 25.105 1.00 0.45 H new ATOM 0 HG2 LYS A 83 14.655 20.216 26.474 1.00 0.42 H new ATOM 0 HG3 LYS A 83 16.098 19.280 26.805 1.00 0.42 H new ATOM 0 HD2 LYS A 83 16.580 19.086 24.334 1.00 0.32 H new ATOM 0 HD3 LYS A 83 15.090 19.925 23.954 1.00 0.32 H new ATOM 0 HE2 LYS A 83 15.955 22.007 25.014 1.00 0.36 H new ATOM 0 HE3 LYS A 83 17.420 21.178 25.500 1.00 0.36 H new ATOM 0 HZ1 LYS A 83 18.281 21.364 23.440 1.00 0.82 H new ATOM 0 HZ2 LYS A 83 16.853 20.844 22.684 1.00 0.82 H new ATOM 0 HZ3 LYS A 83 17.040 22.475 23.115 1.00 0.82 H new ATOM 1344 N TYR A 84 11.776 18.576 26.851 1.00 0.81 N ATOM 1345 CA TYR A 84 10.599 19.474 27.145 1.00 1.07 C ATOM 1346 C TYR A 84 9.289 18.781 27.587 1.00 1.87 C ATOM 1347 O TYR A 84 8.508 19.366 28.311 1.00 2.82 O ATOM 1348 CB TYR A 84 10.338 20.315 25.871 1.00 0.91 C ATOM 1349 CG TYR A 84 11.494 21.291 25.621 1.00 0.45 C ATOM 1350 CD1 TYR A 84 11.729 22.326 26.502 1.00 2.57 C ATOM 1351 CD2 TYR A 84 12.307 21.155 24.516 1.00 2.18 C ATOM 1352 CE1 TYR A 84 12.761 23.213 26.280 1.00 3.13 C ATOM 1353 CE2 TYR A 84 13.344 22.046 24.292 1.00 1.87 C ATOM 1354 CZ TYR A 84 13.568 23.073 25.177 1.00 1.51 C ATOM 1355 OH TYR A 84 14.595 23.962 24.959 1.00 2.19 O ATOM 0 H TYR A 84 11.689 18.061 25.975 1.00 0.81 H new ATOM 0 HA TYR A 84 10.879 20.068 28.015 1.00 1.07 H new ATOM 0 HB2 TYR A 84 10.220 19.655 25.011 1.00 0.91 H new ATOM 0 HB3 TYR A 84 9.405 20.868 25.979 1.00 0.91 H new ATOM 0 HD1 TYR A 84 11.100 22.442 27.372 1.00 2.57 H new ATOM 0 HD2 TYR A 84 12.134 20.348 23.820 1.00 2.18 H new ATOM 0 HE1 TYR A 84 12.936 24.021 26.976 1.00 3.13 H new ATOM 0 HE2 TYR A 84 13.975 21.934 23.423 1.00 1.87 H new ATOM 0 HH TYR A 84 14.926 24.297 25.819 1.00 2.19 H new