USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 560 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 44 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 57 MET CE :methyl 165:sc= -2.6 (180deg=-3.59) USER MOD Set 2.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 14 HIS : no HD1:sc= 0.848 K(o=3.1,f=-3.9!) USER MOD Set 3.2: A 19 SER OG : rot 78:sc= 2.22 USER MOD Single : A 7 TYR OH : rot -160:sc= 1.18 USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= -0.0281 (180deg=-0.179) USER MOD Single : A 9 SER OG : rot 85:sc= 0.868 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.0355 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 1.12 (180deg=1.11) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= 0.755 (180deg=0.354) USER MOD Single : A 32 GLN : amide:sc= 0.74 K(o=0.74,f=-0.0081) USER MOD Single : A 38 TYR OH : rot -5:sc= 0.998 USER MOD Single : A 39 LYS NZ :NH3+ 154:sc= -0.222 (180deg=-0.746) USER MOD Single : A 41 MET CE :methyl 176:sc= -2.55 (180deg=-2.65) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0363 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -75:sc= 1.15 USER MOD Single : A 59 ASN : amide:sc= 0.134 X(o=0.13,f=-0.051) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc=-0.00657 (180deg=-0.124) USER MOD Single : A 65 SER OG : rot 180:sc= 0.555 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -177:sc= -0.478 (180deg=-0.492) USER MOD Single : A 77 SER OG : rot 61:sc= 1.19 USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 0.847 (180deg=0.847) USER MOD ----------------------------------------------------------------- ATOM 25 N GLY A 3 1.670 -10.241 -3.856 1.00 0.00 N ATOM 26 CA GLY A 3 1.793 -8.800 -3.731 1.00 0.00 C ATOM 27 C GLY A 3 3.103 -8.214 -4.261 1.00 0.00 C ATOM 28 O GLY A 3 3.120 -7.079 -4.736 1.00 0.00 O ATOM 0 HA2 GLY A 3 0.963 -8.332 -4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.692 -8.532 -2.679 1.00 0.00 H new ATOM 32 N ALA A 4 4.205 -8.967 -4.185 1.00 0.00 N ATOM 33 CA ALA A 4 5.492 -8.531 -4.705 1.00 0.00 C ATOM 34 C ALA A 4 5.381 -8.041 -6.146 1.00 0.00 C ATOM 35 O ALA A 4 6.038 -7.071 -6.514 1.00 0.00 O ATOM 36 CB ALA A 4 6.520 -9.657 -4.583 1.00 0.00 C ATOM 0 H ALA A 4 4.223 -9.894 -3.760 1.00 0.00 H new ATOM 0 HA ALA A 4 5.829 -7.686 -4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.479 -9.318 -4.975 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.634 -9.933 -3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.181 -10.523 -5.152 1.00 0.00 H new ATOM 42 N ALA A 5 4.549 -8.696 -6.961 1.00 0.00 N ATOM 43 CA ALA A 5 4.329 -8.245 -8.324 1.00 0.00 C ATOM 44 C ALA A 5 3.575 -6.914 -8.293 1.00 0.00 C ATOM 45 O ALA A 5 4.024 -5.925 -8.865 1.00 0.00 O ATOM 46 CB ALA A 5 3.557 -9.315 -9.102 1.00 0.00 C ATOM 0 H ALA A 5 4.025 -9.531 -6.698 1.00 0.00 H new ATOM 0 HA ALA A 5 5.281 -8.088 -8.832 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.393 -8.974 -10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.132 -10.241 -9.116 1.00 0.00 H new ATOM 0 HB3 ALA A 5 2.595 -9.492 -8.620 1.00 0.00 H new ATOM 52 N LEU A 6 2.440 -6.891 -7.589 1.00 0.00 N ATOM 53 CA LEU A 6 1.545 -5.747 -7.480 1.00 0.00 C ATOM 54 C LEU A 6 2.293 -4.469 -7.110 1.00 0.00 C ATOM 55 O LEU A 6 1.980 -3.404 -7.649 1.00 0.00 O ATOM 56 CB LEU A 6 0.461 -6.027 -6.445 1.00 0.00 C ATOM 57 CG LEU A 6 -0.616 -7.000 -6.932 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.137 -8.393 -7.356 1.00 0.00 C ATOM 59 CD2 LEU A 6 -1.627 -7.136 -5.797 1.00 0.00 C ATOM 0 H LEU A 6 2.112 -7.700 -7.062 1.00 0.00 H new ATOM 0 HA LEU A 6 1.090 -5.595 -8.459 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.925 -6.432 -5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.012 -5.086 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.028 -6.577 -7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.991 -8.988 -7.680 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.573 -8.299 -8.178 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.348 -8.884 -6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.419 -7.823 -6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.127 -7.523 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.058 -6.160 -5.575 1.00 0.00 H new ATOM 71 N TYR A 7 3.265 -4.592 -6.198 1.00 0.00 N ATOM 72 CA TYR A 7 4.121 -3.511 -5.715 1.00 0.00 C ATOM 73 C TYR A 7 4.531 -2.543 -6.818 1.00 0.00 C ATOM 74 O TYR A 7 4.599 -1.337 -6.589 1.00 0.00 O ATOM 75 CB TYR A 7 5.391 -4.090 -5.093 1.00 0.00 C ATOM 76 CG TYR A 7 6.256 -3.035 -4.423 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.895 -2.531 -3.160 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.275 -2.397 -5.157 1.00 0.00 C ATOM 79 CE1 TYR A 7 6.536 -1.390 -2.643 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.895 -1.240 -4.652 1.00 0.00 C ATOM 81 CZ TYR A 7 7.508 -0.721 -3.405 1.00 0.00 C ATOM 82 OH TYR A 7 8.060 0.438 -2.941 1.00 0.00 O ATOM 0 H TYR A 7 3.483 -5.487 -5.760 1.00 0.00 H new ATOM 0 HA TYR A 7 3.536 -2.961 -4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 7 5.117 -4.848 -4.359 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.972 -4.591 -5.867 1.00 0.00 H new ATOM 0 HD1 TYR A 7 5.123 -3.022 -2.585 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.582 -2.798 -6.112 1.00 0.00 H new ATOM 0 HE1 TYR A 7 6.280 -1.028 -1.658 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.669 -0.750 -5.223 1.00 0.00 H new ATOM 0 HH TYR A 7 8.462 0.930 -3.687 1.00 0.00 H new ATOM 92 N LYS A 8 4.830 -3.079 -8.003 1.00 0.00 N ATOM 93 CA LYS A 8 5.222 -2.281 -9.160 1.00 0.00 C ATOM 94 C LYS A 8 4.325 -1.050 -9.363 1.00 0.00 C ATOM 95 O LYS A 8 4.805 0.023 -9.718 1.00 0.00 O ATOM 96 CB LYS A 8 5.297 -3.168 -10.411 1.00 0.00 C ATOM 97 CG LYS A 8 3.949 -3.773 -10.838 1.00 0.00 C ATOM 98 CD LYS A 8 3.248 -3.021 -11.982 1.00 0.00 C ATOM 99 CE LYS A 8 3.956 -3.140 -13.340 1.00 0.00 C ATOM 100 NZ LYS A 8 4.087 -4.540 -13.779 1.00 0.00 N ATOM 0 H LYS A 8 4.806 -4.082 -8.185 1.00 0.00 H new ATOM 0 HA LYS A 8 6.218 -1.880 -8.969 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.696 -2.579 -11.237 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.003 -3.977 -10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.109 -4.807 -11.144 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.285 -3.796 -9.974 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.231 -3.399 -12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.172 -1.967 -11.716 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.399 -2.577 -14.089 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.946 -2.688 -13.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.413 -4.565 -14.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.776 -5.030 -13.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.164 -5.014 -13.707 1.00 0.00 H new ATOM 114 N SER A 9 3.025 -1.190 -9.098 1.00 0.00 N ATOM 115 CA SER A 9 2.027 -0.141 -9.264 1.00 0.00 C ATOM 116 C SER A 9 2.182 1.005 -8.254 1.00 0.00 C ATOM 117 O SER A 9 1.659 2.094 -8.471 1.00 0.00 O ATOM 118 CB SER A 9 0.636 -0.772 -9.115 1.00 0.00 C ATOM 119 OG SER A 9 0.603 -2.074 -9.673 1.00 0.00 O ATOM 0 H SER A 9 2.629 -2.064 -8.752 1.00 0.00 H new ATOM 0 HA SER A 9 2.164 0.297 -10.253 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.366 -0.818 -8.060 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.106 -0.143 -9.607 1.00 0.00 H new ATOM 0 HG SER A 9 0.916 -2.723 -9.008 1.00 0.00 H new ATOM 125 N CYS A 10 2.847 0.738 -7.130 1.00 0.00 N ATOM 126 CA CYS A 10 3.035 1.647 -6.004 1.00 0.00 C ATOM 127 C CYS A 10 4.323 2.466 -6.137 1.00 0.00 C ATOM 128 O CYS A 10 4.515 3.462 -5.431 1.00 0.00 O ATOM 129 CB CYS A 10 3.064 0.822 -4.714 1.00 0.00 C ATOM 130 SG CYS A 10 1.908 -0.580 -4.591 1.00 0.00 S ATOM 0 H CYS A 10 3.292 -0.167 -6.974 1.00 0.00 H new ATOM 0 HA CYS A 10 2.208 2.357 -5.986 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.075 0.437 -4.583 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.868 1.495 -3.879 1.00 0.00 H new ATOM 0 HG CYS A 10 2.063 -1.171 -3.443 1.00 0.00 H new ATOM 135 N ILE A 11 5.226 2.019 -7.016 1.00 0.00 N ATOM 136 CA ILE A 11 6.465 2.716 -7.343 1.00 0.00 C ATOM 137 C ILE A 11 6.136 4.166 -7.724 1.00 0.00 C ATOM 138 O ILE A 11 4.999 4.505 -8.048 1.00 0.00 O ATOM 139 CB ILE A 11 7.218 1.953 -8.455 1.00 0.00 C ATOM 140 CG1 ILE A 11 7.636 0.572 -7.912 1.00 0.00 C ATOM 141 CG2 ILE A 11 8.449 2.709 -8.985 1.00 0.00 C ATOM 142 CD1 ILE A 11 8.404 -0.296 -8.914 1.00 0.00 C ATOM 0 H ILE A 11 5.110 1.145 -7.528 1.00 0.00 H new ATOM 0 HA ILE A 11 7.132 2.747 -6.482 1.00 0.00 H new ATOM 0 HB ILE A 11 6.539 1.849 -9.301 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.254 0.715 -7.026 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.743 0.035 -7.594 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.932 2.118 -9.763 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.137 3.668 -9.399 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.152 2.877 -8.169 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.659 -1.249 -8.450 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.783 -0.475 -9.792 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.318 0.217 -9.214 1.00 0.00 H new ATOM 154 N GLY A 12 7.123 5.056 -7.637 1.00 0.00 N ATOM 155 CA GLY A 12 6.908 6.466 -7.910 1.00 0.00 C ATOM 156 C GLY A 12 6.453 7.134 -6.621 1.00 0.00 C ATOM 157 O GLY A 12 7.119 8.056 -6.154 1.00 0.00 O ATOM 0 H GLY A 12 8.081 4.819 -7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.826 6.927 -8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.157 6.592 -8.690 1.00 0.00 H new ATOM 161 N CYS A 13 5.364 6.653 -6.004 1.00 0.00 N ATOM 162 CA CYS A 13 4.950 7.217 -4.729 1.00 0.00 C ATOM 163 C CYS A 13 5.832 6.599 -3.656 1.00 0.00 C ATOM 164 O CYS A 13 6.381 7.318 -2.828 1.00 0.00 O ATOM 165 CB CYS A 13 3.464 6.992 -4.460 1.00 0.00 C ATOM 166 SG CYS A 13 2.381 8.177 -5.315 1.00 0.00 S ATOM 0 H CYS A 13 4.776 5.899 -6.359 1.00 0.00 H new ATOM 0 HA CYS A 13 5.075 8.300 -4.735 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.197 5.981 -4.768 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.284 7.057 -3.387 1.00 0.00 H new ATOM 0 HG CYS A 13 1.140 7.912 -5.033 1.00 0.00 H new ATOM 171 N HIS A 14 6.005 5.274 -3.701 1.00 0.00 N ATOM 172 CA HIS A 14 6.845 4.553 -2.751 1.00 0.00 C ATOM 173 C HIS A 14 8.249 4.271 -3.292 1.00 0.00 C ATOM 174 O HIS A 14 9.111 3.796 -2.554 1.00 0.00 O ATOM 175 CB HIS A 14 6.142 3.253 -2.362 1.00 0.00 C ATOM 176 CG HIS A 14 4.902 3.517 -1.558 1.00 0.00 C ATOM 177 ND1 HIS A 14 4.935 3.676 -0.182 1.00 0.00 N ATOM 178 CD2 HIS A 14 3.607 3.792 -1.927 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.684 3.947 0.209 1.00 0.00 C ATOM 180 NE2 HIS A 14 2.800 3.913 -0.789 1.00 0.00 N ATOM 0 H HIS A 14 5.565 4.675 -4.399 1.00 0.00 H new ATOM 0 HA HIS A 14 6.984 5.185 -1.874 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.882 2.696 -3.262 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.824 2.628 -1.786 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.262 3.899 -2.945 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.417 4.171 1.231 1.00 0.00 H new ATOM 0 HE2 HIS A 14 1.783 3.963 -0.736 1.00 0.00 H new ATOM 188 N GLY A 15 8.516 4.574 -4.562 1.00 0.00 N ATOM 189 CA GLY A 15 9.818 4.290 -5.146 1.00 0.00 C ATOM 190 C GLY A 15 10.026 2.792 -5.376 1.00 0.00 C ATOM 191 O GLY A 15 9.239 1.952 -4.931 1.00 0.00 O ATOM 0 H GLY A 15 7.851 5.013 -5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.914 4.819 -6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.601 4.668 -4.489 1.00 0.00 H new ATOM 195 N ALA A 16 11.103 2.454 -6.087 1.00 0.00 N ATOM 196 CA ALA A 16 11.467 1.078 -6.388 1.00 0.00 C ATOM 197 C ALA A 16 12.065 0.420 -5.143 1.00 0.00 C ATOM 198 O ALA A 16 13.272 0.208 -5.083 1.00 0.00 O ATOM 199 CB ALA A 16 12.433 1.054 -7.577 1.00 0.00 C ATOM 0 H ALA A 16 11.752 3.140 -6.472 1.00 0.00 H new ATOM 0 HA ALA A 16 10.583 0.505 -6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 16 12.706 0.023 -7.803 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.951 1.501 -8.447 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.330 1.621 -7.328 1.00 0.00 H new ATOM 205 N ASP A 17 11.202 0.111 -4.169 1.00 0.00 N ATOM 206 CA ASP A 17 11.518 -0.510 -2.888 1.00 0.00 C ATOM 207 C ASP A 17 12.234 0.479 -1.974 1.00 0.00 C ATOM 208 O ASP A 17 13.445 0.667 -2.058 1.00 0.00 O ATOM 209 CB ASP A 17 12.285 -1.831 -3.043 1.00 0.00 C ATOM 210 CG ASP A 17 12.693 -2.440 -1.703 1.00 0.00 C ATOM 211 OD1 ASP A 17 12.100 -2.035 -0.680 1.00 0.00 O ATOM 212 OD2 ASP A 17 13.585 -3.314 -1.734 1.00 0.00 O ATOM 0 H ASP A 17 10.205 0.301 -4.265 1.00 0.00 H new ATOM 0 HA ASP A 17 10.575 -0.778 -2.412 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.665 -2.544 -3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 17 13.177 -1.659 -3.645 1.00 0.00 H new ATOM 217 N GLY A 18 11.464 1.101 -1.083 1.00 0.00 N ATOM 218 CA GLY A 18 12.010 2.033 -0.108 1.00 0.00 C ATOM 219 C GLY A 18 10.936 2.808 0.638 1.00 0.00 C ATOM 220 O GLY A 18 11.101 3.134 1.809 1.00 0.00 O ATOM 0 H GLY A 18 10.454 0.973 -1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.619 1.484 0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.671 2.736 -0.615 1.00 0.00 H new ATOM 224 N SER A 19 9.828 3.092 -0.044 1.00 0.00 N ATOM 225 CA SER A 19 8.709 3.860 0.438 1.00 0.00 C ATOM 226 C SER A 19 9.127 5.283 0.775 1.00 0.00 C ATOM 227 O SER A 19 8.909 5.754 1.891 1.00 0.00 O ATOM 228 CB SER A 19 8.015 3.133 1.562 1.00 0.00 C ATOM 229 OG SER A 19 6.859 3.869 1.915 1.00 0.00 O ATOM 0 H SER A 19 9.691 2.768 -1.001 1.00 0.00 H new ATOM 0 HA SER A 19 7.968 3.960 -0.355 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.744 2.124 1.252 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.680 3.035 2.420 1.00 0.00 H new ATOM 0 HG SER A 19 6.153 3.706 1.255 1.00 0.00 H new ATOM 235 N LYS A 20 9.698 5.952 -0.227 1.00 0.00 N ATOM 236 CA LYS A 20 10.073 7.353 -0.141 1.00 0.00 C ATOM 237 C LYS A 20 8.846 8.212 0.200 1.00 0.00 C ATOM 238 O LYS A 20 7.707 7.762 0.082 1.00 0.00 O ATOM 239 CB LYS A 20 10.715 7.791 -1.467 1.00 0.00 C ATOM 240 CG LYS A 20 9.854 7.420 -2.685 1.00 0.00 C ATOM 241 CD LYS A 20 10.061 8.372 -3.872 1.00 0.00 C ATOM 242 CE LYS A 20 9.339 9.714 -3.683 1.00 0.00 C ATOM 243 NZ LYS A 20 7.874 9.566 -3.737 1.00 0.00 N ATOM 0 H LYS A 20 9.913 5.527 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 20 10.802 7.490 0.658 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.873 8.869 -1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.696 7.326 -1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.091 6.402 -2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.803 7.429 -2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.127 8.553 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.701 7.895 -4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.624 10.147 -2.724 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.662 10.411 -4.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.427 10.500 -3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.601 9.145 -4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.559 8.948 -2.962 1.00 0.00 H new ATOM 257 N ALA A 21 9.079 9.459 0.619 1.00 0.00 N ATOM 258 CA ALA A 21 8.010 10.390 0.948 1.00 0.00 C ATOM 259 C ALA A 21 7.098 10.582 -0.268 1.00 0.00 C ATOM 260 O ALA A 21 7.520 11.155 -1.271 1.00 0.00 O ATOM 261 CB ALA A 21 8.612 11.723 1.400 1.00 0.00 C ATOM 0 H ALA A 21 10.015 9.846 0.738 1.00 0.00 H new ATOM 0 HA ALA A 21 7.410 9.988 1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.810 12.419 1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.235 11.561 2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.220 12.139 0.596 1.00 0.00 H new ATOM 267 N ALA A 22 5.869 10.068 -0.183 1.00 0.00 N ATOM 268 CA ALA A 22 4.871 10.171 -1.234 1.00 0.00 C ATOM 269 C ALA A 22 4.172 11.529 -1.115 1.00 0.00 C ATOM 270 O ALA A 22 4.832 12.564 -1.027 1.00 0.00 O ATOM 271 CB ALA A 22 3.927 8.968 -1.129 1.00 0.00 C ATOM 0 H ALA A 22 5.539 9.560 0.638 1.00 0.00 H new ATOM 0 HA ALA A 22 5.312 10.136 -2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.171 9.030 -1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.497 8.047 -1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.441 8.971 -0.153 1.00 0.00 H new ATOM 277 N MET A 23 2.837 11.551 -1.096 1.00 0.00 N ATOM 278 CA MET A 23 2.070 12.780 -0.929 1.00 0.00 C ATOM 279 C MET A 23 2.124 13.219 0.541 1.00 0.00 C ATOM 280 O MET A 23 1.121 13.167 1.251 1.00 0.00 O ATOM 281 CB MET A 23 0.635 12.583 -1.439 1.00 0.00 C ATOM 282 CG MET A 23 0.612 12.283 -2.943 1.00 0.00 C ATOM 283 SD MET A 23 -1.037 12.213 -3.691 1.00 0.00 S ATOM 284 CE MET A 23 -1.350 13.974 -3.942 1.00 0.00 C ATOM 0 H MET A 23 2.261 10.715 -1.196 1.00 0.00 H new ATOM 0 HA MET A 23 2.506 13.581 -1.526 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.163 11.764 -0.896 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.049 13.479 -1.236 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.195 13.046 -3.458 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.112 11.330 -3.115 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.331 14.108 -4.398 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.323 14.489 -2.982 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.585 14.390 -4.598 1.00 0.00 H new ATOM 294 N GLY A 24 3.308 13.648 0.984 1.00 0.00 N ATOM 295 CA GLY A 24 3.608 14.078 2.341 1.00 0.00 C ATOM 296 C GLY A 24 4.658 13.155 2.958 1.00 0.00 C ATOM 297 O GLY A 24 5.136 12.222 2.310 1.00 0.00 O ATOM 0 H GLY A 24 4.121 13.706 0.371 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.973 15.105 2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.701 14.066 2.945 1.00 0.00 H new ATOM 301 N SER A 25 5.018 13.410 4.220 1.00 0.00 N ATOM 302 CA SER A 25 5.988 12.642 4.994 1.00 0.00 C ATOM 303 C SER A 25 5.414 11.276 5.393 1.00 0.00 C ATOM 304 O SER A 25 5.252 10.978 6.574 1.00 0.00 O ATOM 305 CB SER A 25 6.354 13.466 6.231 1.00 0.00 C ATOM 306 OG SER A 25 6.593 14.810 5.855 1.00 0.00 O ATOM 0 H SER A 25 4.624 14.189 4.748 1.00 0.00 H new ATOM 0 HA SER A 25 6.878 12.448 4.395 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.547 13.421 6.962 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.240 13.049 6.709 1.00 0.00 H new ATOM 0 HG SER A 25 6.825 15.335 6.649 1.00 0.00 H new ATOM 312 N ALA A 26 5.097 10.461 4.393 1.00 0.00 N ATOM 313 CA ALA A 26 4.487 9.155 4.549 1.00 0.00 C ATOM 314 C ALA A 26 5.337 8.210 5.399 1.00 0.00 C ATOM 315 O ALA A 26 6.552 8.135 5.219 1.00 0.00 O ATOM 316 CB ALA A 26 4.274 8.550 3.157 1.00 0.00 C ATOM 0 H ALA A 26 5.266 10.705 3.417 1.00 0.00 H new ATOM 0 HA ALA A 26 3.538 9.282 5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.815 7.566 3.254 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.620 9.199 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.235 8.454 2.651 1.00 0.00 H new ATOM 322 N LYS A 27 4.694 7.474 6.311 1.00 0.00 N ATOM 323 CA LYS A 27 5.285 6.408 7.068 1.00 0.00 C ATOM 324 C LYS A 27 5.883 5.429 6.063 1.00 0.00 C ATOM 325 O LYS A 27 5.215 5.092 5.083 1.00 0.00 O ATOM 326 CB LYS A 27 4.126 5.727 7.792 1.00 0.00 C ATOM 327 CG LYS A 27 3.713 6.465 9.066 1.00 0.00 C ATOM 328 CD LYS A 27 2.353 5.937 9.533 1.00 0.00 C ATOM 329 CE LYS A 27 1.834 6.716 10.742 1.00 0.00 C ATOM 330 NZ LYS A 27 0.474 6.276 11.100 1.00 0.00 N ATOM 0 H LYS A 27 3.711 7.624 6.538 1.00 0.00 H new ATOM 0 HA LYS A 27 6.050 6.747 7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.270 5.663 7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.410 4.705 8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.461 6.318 9.845 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.656 7.537 8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.634 6.009 8.717 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.440 4.881 9.789 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.504 6.570 11.590 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.830 7.783 10.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.140 6.817 11.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.166 6.438 10.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.487 5.263 11.334 1.00 0.00 H new ATOM 344 N PRO A 28 7.117 4.959 6.266 1.00 0.00 N ATOM 345 CA PRO A 28 7.710 4.050 5.320 1.00 0.00 C ATOM 346 C PRO A 28 6.952 2.726 5.353 1.00 0.00 C ATOM 347 O PRO A 28 6.784 2.108 6.402 1.00 0.00 O ATOM 348 CB PRO A 28 9.175 3.910 5.741 1.00 0.00 C ATOM 349 CG PRO A 28 9.133 4.192 7.245 1.00 0.00 C ATOM 350 CD PRO A 28 8.009 5.222 7.381 1.00 0.00 C ATOM 0 HA PRO A 28 7.658 4.404 4.290 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.562 2.913 5.528 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.815 4.619 5.216 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.922 3.289 7.818 1.00 0.00 H new ATOM 0 HG3 PRO A 28 10.083 4.584 7.607 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.491 5.116 8.334 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.399 6.239 7.342 1.00 0.00 H new ATOM 358 N VAL A 29 6.435 2.322 4.197 1.00 0.00 N ATOM 359 CA VAL A 29 5.773 1.049 4.016 1.00 0.00 C ATOM 360 C VAL A 29 6.820 -0.051 4.174 1.00 0.00 C ATOM 361 O VAL A 29 6.564 -1.058 4.835 1.00 0.00 O ATOM 362 CB VAL A 29 5.095 1.040 2.642 1.00 0.00 C ATOM 363 CG1 VAL A 29 4.809 -0.357 2.112 1.00 0.00 C ATOM 364 CG2 VAL A 29 3.767 1.774 2.770 1.00 0.00 C ATOM 0 H VAL A 29 6.469 2.886 3.348 1.00 0.00 H new ATOM 0 HA VAL A 29 4.994 0.878 4.759 1.00 0.00 H new ATOM 0 HB VAL A 29 5.780 1.517 1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.329 -0.285 1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.744 -0.908 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.149 -0.880 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.262 1.783 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.140 1.266 3.503 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.948 2.799 3.094 1.00 0.00 H new ATOM 374 N LYS A 30 7.997 0.158 3.565 1.00 0.00 N ATOM 375 CA LYS A 30 9.127 -0.747 3.655 1.00 0.00 C ATOM 376 C LYS A 30 9.353 -1.135 5.120 1.00 0.00 C ATOM 377 O LYS A 30 9.785 -0.315 5.928 1.00 0.00 O ATOM 378 CB LYS A 30 10.373 -0.079 3.051 1.00 0.00 C ATOM 379 CG LYS A 30 11.648 -0.863 3.403 1.00 0.00 C ATOM 380 CD LYS A 30 12.885 -0.325 2.681 1.00 0.00 C ATOM 381 CE LYS A 30 14.177 -0.804 3.356 1.00 0.00 C ATOM 382 NZ LYS A 30 14.177 -2.257 3.612 1.00 0.00 N ATOM 0 H LYS A 30 8.182 0.979 2.988 1.00 0.00 H new ATOM 0 HA LYS A 30 8.925 -1.656 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.268 -0.018 1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.457 0.943 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.812 -0.819 4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.508 -1.913 3.144 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.873 -0.652 1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.859 0.765 2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.028 -0.550 2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.309 -0.273 4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.150 -2.577 3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.584 -2.463 4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.798 -2.756 2.782 1.00 0.00 H new ATOM 396 N GLY A 31 9.033 -2.381 5.454 1.00 0.00 N ATOM 397 CA GLY A 31 9.296 -2.957 6.752 1.00 0.00 C ATOM 398 C GLY A 31 8.373 -2.529 7.897 1.00 0.00 C ATOM 399 O GLY A 31 8.676 -2.904 9.030 1.00 0.00 O ATOM 0 H GLY A 31 8.574 -3.026 4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.242 -4.042 6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.321 -2.711 7.031 1.00 0.00 H new ATOM 403 N GLN A 32 7.279 -1.768 7.688 1.00 0.00 N ATOM 404 CA GLN A 32 6.365 -1.548 8.820 1.00 0.00 C ATOM 405 C GLN A 32 5.580 -2.858 9.041 1.00 0.00 C ATOM 406 O GLN A 32 5.846 -3.866 8.384 1.00 0.00 O ATOM 407 CB GLN A 32 5.552 -0.236 8.748 1.00 0.00 C ATOM 408 CG GLN A 32 4.609 -0.184 7.561 1.00 0.00 C ATOM 409 CD GLN A 32 3.601 0.972 7.564 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.458 0.778 7.966 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.987 2.151 7.066 1.00 0.00 N ATOM 0 H GLN A 32 7.020 -1.323 6.807 1.00 0.00 H new ATOM 0 HA GLN A 32 6.926 -1.345 9.732 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.977 -0.121 9.667 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.240 0.608 8.695 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.204 -0.121 6.650 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.057 -1.123 7.517 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.945 2.278 6.741 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.323 2.924 7.012 1.00 0.00 H new ATOM 420 N GLY A 33 4.616 -2.898 9.957 1.00 0.00 N ATOM 421 CA GLY A 33 4.033 -4.186 10.335 1.00 0.00 C ATOM 422 C GLY A 33 3.001 -4.715 9.361 1.00 0.00 C ATOM 423 O GLY A 33 2.069 -4.007 9.006 1.00 0.00 O ATOM 0 H GLY A 33 4.231 -2.085 10.438 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.834 -4.919 10.431 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.571 -4.088 11.317 1.00 0.00 H new ATOM 427 N ALA A 34 3.123 -5.987 8.992 1.00 0.00 N ATOM 428 CA ALA A 34 2.178 -6.709 8.159 1.00 0.00 C ATOM 429 C ALA A 34 0.731 -6.455 8.579 1.00 0.00 C ATOM 430 O ALA A 34 -0.118 -6.208 7.732 1.00 0.00 O ATOM 431 CB ALA A 34 2.502 -8.192 8.278 1.00 0.00 C ATOM 0 H ALA A 34 3.915 -6.562 9.279 1.00 0.00 H new ATOM 0 HA ALA A 34 2.271 -6.364 7.129 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.809 -8.766 7.663 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.522 -8.370 7.938 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.407 -8.503 9.318 1.00 0.00 H new ATOM 437 N GLU A 35 0.438 -6.515 9.880 1.00 0.00 N ATOM 438 CA GLU A 35 -0.878 -6.276 10.417 1.00 0.00 C ATOM 439 C GLU A 35 -1.347 -4.863 10.056 1.00 0.00 C ATOM 440 O GLU A 35 -2.433 -4.689 9.500 1.00 0.00 O ATOM 441 CB GLU A 35 -0.770 -6.472 11.929 1.00 0.00 C ATOM 442 CG GLU A 35 -0.478 -7.930 12.308 1.00 0.00 C ATOM 443 CD GLU A 35 -0.402 -8.096 13.822 1.00 0.00 C ATOM 444 OE1 GLU A 35 0.667 -7.755 14.372 1.00 0.00 O ATOM 445 OE2 GLU A 35 -1.415 -8.546 14.399 1.00 0.00 O ATOM 0 H GLU A 35 1.132 -6.737 10.594 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.617 -6.961 10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.021 -5.832 12.321 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.700 -6.155 12.401 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.258 -8.577 11.906 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.462 -8.246 11.856 1.00 0.00 H new ATOM 452 N GLU A 36 -0.506 -3.869 10.367 1.00 0.00 N ATOM 453 CA GLU A 36 -0.752 -2.467 10.082 1.00 0.00 C ATOM 454 C GLU A 36 -1.055 -2.325 8.595 1.00 0.00 C ATOM 455 O GLU A 36 -2.101 -1.822 8.205 1.00 0.00 O ATOM 456 CB GLU A 36 0.491 -1.633 10.445 1.00 0.00 C ATOM 457 CG GLU A 36 0.937 -1.779 11.903 1.00 0.00 C ATOM 458 CD GLU A 36 2.127 -0.866 12.187 1.00 0.00 C ATOM 459 OE1 GLU A 36 3.195 -1.127 11.589 1.00 0.00 O ATOM 460 OE2 GLU A 36 1.943 0.084 12.978 1.00 0.00 O ATOM 0 H GLU A 36 0.385 -4.031 10.836 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.595 -2.108 10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.314 -1.925 9.793 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.282 -0.582 10.243 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.111 -1.530 12.570 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.208 -2.815 12.105 1.00 0.00 H new ATOM 467 N LEU A 37 -0.123 -2.804 7.777 1.00 0.00 N ATOM 468 CA LEU A 37 -0.182 -2.746 6.333 1.00 0.00 C ATOM 469 C LEU A 37 -1.451 -3.393 5.796 1.00 0.00 C ATOM 470 O LEU A 37 -2.090 -2.817 4.931 1.00 0.00 O ATOM 471 CB LEU A 37 1.059 -3.416 5.743 1.00 0.00 C ATOM 472 CG LEU A 37 2.346 -2.617 5.988 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.563 -3.480 5.649 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.384 -1.331 5.158 1.00 0.00 C ATOM 0 H LEU A 37 0.723 -3.259 8.121 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.204 -1.699 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.168 -4.411 6.175 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.918 -3.548 4.670 1.00 0.00 H new ATOM 0 HG LEU A 37 2.367 -2.338 7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.474 -2.909 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.565 -4.369 6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.517 -3.778 4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.311 -0.795 5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.333 -1.580 4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.535 -0.701 5.424 1.00 0.00 H new ATOM 486 N TYR A 38 -1.822 -4.583 6.265 1.00 0.00 N ATOM 487 CA TYR A 38 -3.016 -5.268 5.786 1.00 0.00 C ATOM 488 C TYR A 38 -4.238 -4.408 6.044 1.00 0.00 C ATOM 489 O TYR A 38 -4.992 -4.065 5.138 1.00 0.00 O ATOM 490 CB TYR A 38 -3.190 -6.609 6.507 1.00 0.00 C ATOM 491 CG TYR A 38 -4.258 -7.555 5.962 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.616 -7.577 4.596 1.00 0.00 C ATOM 493 CD2 TYR A 38 -4.873 -8.465 6.844 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.575 -8.492 4.125 1.00 0.00 C ATOM 495 CE2 TYR A 38 -5.848 -9.363 6.375 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.205 -9.374 5.017 1.00 0.00 C ATOM 497 OH TYR A 38 -7.164 -10.242 4.583 1.00 0.00 O ATOM 0 H TYR A 38 -1.307 -5.094 6.982 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.905 -5.447 4.716 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.233 -7.131 6.488 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.420 -6.404 7.553 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -4.150 -6.887 3.908 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.594 -8.473 7.887 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.827 -8.516 3.075 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.324 -10.047 7.062 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.357 -10.070 3.638 1.00 0.00 H new ATOM 507 N LYS A 39 -4.419 -4.081 7.318 1.00 0.00 N ATOM 508 CA LYS A 39 -5.559 -3.287 7.746 1.00 0.00 C ATOM 509 C LYS A 39 -5.637 -1.951 7.006 1.00 0.00 C ATOM 510 O LYS A 39 -6.693 -1.590 6.492 1.00 0.00 O ATOM 511 CB LYS A 39 -5.532 -3.081 9.265 1.00 0.00 C ATOM 512 CG LYS A 39 -5.760 -4.375 10.060 1.00 0.00 C ATOM 513 CD LYS A 39 -7.087 -5.107 9.788 1.00 0.00 C ATOM 514 CE LYS A 39 -8.343 -4.253 10.030 1.00 0.00 C ATOM 515 NZ LYS A 39 -8.722 -3.447 8.853 1.00 0.00 N ATOM 0 H LYS A 39 -3.789 -4.355 8.072 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.462 -3.842 7.491 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.571 -2.653 9.549 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.297 -2.355 9.539 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.939 -5.060 9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.709 -4.139 11.123 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.092 -5.454 8.755 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.136 -5.992 10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.173 -4.905 10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.168 -3.590 10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.743 -3.251 8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.197 -2.549 8.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.493 -3.972 7.985 1.00 0.00 H new ATOM 529 N LYS A 40 -4.535 -1.207 6.947 1.00 0.00 N ATOM 530 CA LYS A 40 -4.479 0.079 6.306 1.00 0.00 C ATOM 531 C LYS A 40 -4.615 -0.036 4.788 1.00 0.00 C ATOM 532 O LYS A 40 -5.298 0.786 4.189 1.00 0.00 O ATOM 533 CB LYS A 40 -3.166 0.727 6.718 1.00 0.00 C ATOM 534 CG LYS A 40 -3.178 1.111 8.206 1.00 0.00 C ATOM 535 CD LYS A 40 -1.855 1.799 8.533 1.00 0.00 C ATOM 536 CE LYS A 40 -1.743 2.205 10.003 1.00 0.00 C ATOM 537 NZ LYS A 40 -0.476 2.920 10.240 1.00 0.00 N ATOM 0 H LYS A 40 -3.646 -1.498 7.355 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.318 0.699 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.342 0.040 6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.990 1.616 6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.015 1.776 8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.309 0.224 8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.032 1.130 8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.748 2.685 7.907 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.585 2.841 10.277 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.793 1.320 10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.412 3.190 11.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.323 2.300 9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.444 3.775 9.648 1.00 0.00 H new ATOM 551 N MET A 41 -3.987 -1.031 4.151 1.00 0.00 N ATOM 552 CA MET A 41 -4.090 -1.211 2.708 1.00 0.00 C ATOM 553 C MET A 41 -5.536 -1.574 2.349 1.00 0.00 C ATOM 554 O MET A 41 -6.088 -1.046 1.383 1.00 0.00 O ATOM 555 CB MET A 41 -2.983 -2.132 2.143 1.00 0.00 C ATOM 556 CG MET A 41 -3.171 -3.656 2.179 1.00 0.00 C ATOM 557 SD MET A 41 -4.084 -4.205 0.745 1.00 0.00 S ATOM 558 CE MET A 41 -2.716 -4.177 -0.432 1.00 0.00 C ATOM 0 H MET A 41 -3.402 -1.723 4.619 1.00 0.00 H new ATOM 0 HA MET A 41 -3.883 -0.274 2.192 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.822 -1.848 1.103 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.063 -1.904 2.682 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.199 -4.148 2.209 1.00 0.00 H new ATOM 0 HG3 MET A 41 -3.702 -3.942 3.087 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.056 -4.559 -1.394 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.361 -3.154 -0.553 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.903 -4.801 -0.060 1.00 0.00 H new ATOM 568 N LYS A 42 -6.179 -2.418 3.166 1.00 0.00 N ATOM 569 CA LYS A 42 -7.603 -2.698 3.020 1.00 0.00 C ATOM 570 C LYS A 42 -8.383 -1.391 3.185 1.00 0.00 C ATOM 571 O LYS A 42 -9.206 -1.053 2.343 1.00 0.00 O ATOM 572 CB LYS A 42 -8.080 -3.720 4.061 1.00 0.00 C ATOM 573 CG LYS A 42 -7.703 -5.152 3.673 1.00 0.00 C ATOM 574 CD LYS A 42 -8.039 -6.156 4.784 1.00 0.00 C ATOM 575 CE LYS A 42 -9.510 -6.107 5.213 1.00 0.00 C ATOM 576 NZ LYS A 42 -9.837 -7.225 6.115 1.00 0.00 N ATOM 0 H LYS A 42 -5.730 -2.917 3.934 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.777 -3.122 2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.644 -3.480 5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.162 -3.647 4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.230 -5.431 2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.637 -5.199 3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.800 -7.163 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.407 -5.956 5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.715 -5.160 5.713 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.151 -6.147 4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.838 -7.168 6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.663 -8.127 5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.241 -7.171 6.965 1.00 0.00 H new ATOM 590 N GLY A 43 -8.118 -0.650 4.263 1.00 0.00 N ATOM 591 CA GLY A 43 -8.766 0.620 4.552 1.00 0.00 C ATOM 592 C GLY A 43 -8.667 1.589 3.373 1.00 0.00 C ATOM 593 O GLY A 43 -9.636 2.265 3.025 1.00 0.00 O ATOM 0 H GLY A 43 -7.435 -0.925 4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.815 0.446 4.793 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.307 1.070 5.432 1.00 0.00 H new ATOM 597 N TYR A 44 -7.480 1.670 2.769 1.00 0.00 N ATOM 598 CA TYR A 44 -7.227 2.472 1.595 1.00 0.00 C ATOM 599 C TYR A 44 -8.099 1.955 0.455 1.00 0.00 C ATOM 600 O TYR A 44 -8.834 2.746 -0.129 1.00 0.00 O ATOM 601 CB TYR A 44 -5.734 2.431 1.234 1.00 0.00 C ATOM 602 CG TYR A 44 -4.831 3.418 1.962 1.00 0.00 C ATOM 603 CD1 TYR A 44 -5.185 4.779 2.042 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.564 3.013 2.428 1.00 0.00 C ATOM 605 CE1 TYR A 44 -4.357 5.687 2.726 1.00 0.00 C ATOM 606 CE2 TYR A 44 -2.707 3.941 3.047 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.130 5.263 3.250 1.00 0.00 C ATOM 608 OH TYR A 44 -2.293 6.174 3.823 1.00 0.00 O ATOM 0 H TYR A 44 -6.657 1.165 3.098 1.00 0.00 H new ATOM 0 HA TYR A 44 -7.482 3.514 1.787 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.364 1.424 1.427 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.637 2.606 0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.095 5.126 1.576 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.250 1.986 2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.669 6.714 2.847 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.722 3.635 3.366 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.483 5.721 4.139 1.00 0.00 H new ATOM 618 N ALA A 45 -8.050 0.654 0.144 1.00 0.00 N ATOM 619 CA ALA A 45 -8.884 0.057 -0.899 1.00 0.00 C ATOM 620 C ALA A 45 -10.361 0.411 -0.699 1.00 0.00 C ATOM 621 O ALA A 45 -11.051 0.791 -1.641 1.00 0.00 O ATOM 622 CB ALA A 45 -8.704 -1.467 -0.917 1.00 0.00 C ATOM 0 H ALA A 45 -7.432 -0.011 0.609 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.565 0.465 -1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.330 -1.898 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.660 -1.708 -1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.994 -1.879 0.050 1.00 0.00 H new ATOM 628 N ASP A 46 -10.834 0.305 0.544 1.00 0.00 N ATOM 629 CA ASP A 46 -12.204 0.603 0.937 1.00 0.00 C ATOM 630 C ASP A 46 -12.507 2.104 0.862 1.00 0.00 C ATOM 631 O ASP A 46 -13.669 2.494 0.937 1.00 0.00 O ATOM 632 CB ASP A 46 -12.454 0.114 2.374 1.00 0.00 C ATOM 633 CG ASP A 46 -12.242 -1.385 2.575 1.00 0.00 C ATOM 634 OD1 ASP A 46 -12.509 -2.144 1.618 1.00 0.00 O ATOM 635 OD2 ASP A 46 -11.831 -1.749 3.699 1.00 0.00 O ATOM 0 H ASP A 46 -10.253 -0.000 1.325 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.862 0.085 0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.793 0.656 3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.476 0.366 2.658 1.00 0.00 H new ATOM 640 N GLY A 47 -11.482 2.953 0.753 1.00 0.00 N ATOM 641 CA GLY A 47 -11.637 4.397 0.729 1.00 0.00 C ATOM 642 C GLY A 47 -12.091 4.922 2.091 1.00 0.00 C ATOM 643 O GLY A 47 -12.755 5.953 2.159 1.00 0.00 O ATOM 0 H GLY A 47 -10.512 2.646 0.678 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.691 4.863 0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.365 4.676 -0.033 1.00 0.00 H new ATOM 647 N SER A 48 -11.733 4.220 3.173 1.00 0.00 N ATOM 648 CA SER A 48 -12.078 4.596 4.535 1.00 0.00 C ATOM 649 C SER A 48 -10.849 5.208 5.203 1.00 0.00 C ATOM 650 O SER A 48 -10.889 6.335 5.693 1.00 0.00 O ATOM 651 CB SER A 48 -12.580 3.358 5.283 1.00 0.00 C ATOM 652 OG SER A 48 -11.648 2.298 5.163 1.00 0.00 O ATOM 0 H SER A 48 -11.186 3.361 3.118 1.00 0.00 H new ATOM 0 HA SER A 48 -12.875 5.339 4.547 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.734 3.598 6.335 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.545 3.049 4.882 1.00 0.00 H new ATOM 0 HG SER A 48 -11.981 1.514 5.647 1.00 0.00 H new ATOM 658 N TYR A 49 -9.742 4.462 5.210 1.00 0.00 N ATOM 659 CA TYR A 49 -8.486 4.908 5.797 1.00 0.00 C ATOM 660 C TYR A 49 -7.818 5.934 4.878 1.00 0.00 C ATOM 661 O TYR A 49 -6.745 5.676 4.349 1.00 0.00 O ATOM 662 CB TYR A 49 -7.571 3.696 6.055 1.00 0.00 C ATOM 663 CG TYR A 49 -6.278 4.023 6.784 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.322 4.513 8.101 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.043 3.956 6.108 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.147 4.964 8.726 1.00 0.00 C ATOM 667 CE2 TYR A 49 -3.870 4.420 6.729 1.00 0.00 C ATOM 668 CZ TYR A 49 -3.921 4.921 8.041 1.00 0.00 C ATOM 669 OH TYR A 49 -2.788 5.344 8.671 1.00 0.00 O ATOM 0 H TYR A 49 -9.696 3.527 4.805 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.678 5.392 6.754 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.123 2.958 6.636 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.327 3.232 5.099 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.261 4.543 8.634 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.998 3.547 5.110 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.186 5.345 9.736 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.930 4.391 6.198 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.023 5.251 8.066 1.00 0.00 H new ATOM 679 N GLY A 50 -8.429 7.099 4.662 1.00 0.00 N ATOM 680 CA GLY A 50 -7.841 8.104 3.792 1.00 0.00 C ATOM 681 C GLY A 50 -8.848 9.164 3.365 1.00 0.00 C ATOM 682 O GLY A 50 -9.965 9.214 3.872 1.00 0.00 O ATOM 0 H GLY A 50 -9.323 7.364 5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.009 8.584 4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.431 7.619 2.906 1.00 0.00 H new ATOM 686 N GLY A 51 -8.430 10.014 2.425 1.00 0.00 N ATOM 687 CA GLY A 51 -9.224 11.088 1.861 1.00 0.00 C ATOM 688 C GLY A 51 -8.398 11.768 0.770 1.00 0.00 C ATOM 689 O GLY A 51 -7.189 11.543 0.695 1.00 0.00 O ATOM 0 H GLY A 51 -7.493 9.965 2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.153 10.697 1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.497 11.806 2.634 1.00 0.00 H new ATOM 693 N GLU A 52 -9.058 12.582 -0.059 1.00 0.00 N ATOM 694 CA GLU A 52 -8.514 13.350 -1.176 1.00 0.00 C ATOM 695 C GLU A 52 -7.295 12.685 -1.840 1.00 0.00 C ATOM 696 O GLU A 52 -7.463 11.769 -2.640 1.00 0.00 O ATOM 697 CB GLU A 52 -8.262 14.813 -0.761 1.00 0.00 C ATOM 698 CG GLU A 52 -9.451 15.470 -0.042 1.00 0.00 C ATOM 699 CD GLU A 52 -9.540 15.055 1.427 1.00 0.00 C ATOM 700 OE1 GLU A 52 -8.606 15.415 2.178 1.00 0.00 O ATOM 701 OE2 GLU A 52 -10.520 14.355 1.761 1.00 0.00 O ATOM 0 H GLU A 52 -10.062 12.730 0.044 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.272 13.361 -1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.390 14.850 -0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.020 15.396 -1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.358 16.554 -0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.376 15.199 -0.551 1.00 0.00 H new ATOM 708 N ARG A 53 -6.078 13.120 -1.495 1.00 0.00 N ATOM 709 CA ARG A 53 -4.807 12.646 -2.019 1.00 0.00 C ATOM 710 C ARG A 53 -4.707 11.121 -2.114 1.00 0.00 C ATOM 711 O ARG A 53 -4.137 10.585 -3.062 1.00 0.00 O ATOM 712 CB ARG A 53 -3.708 13.232 -1.121 1.00 0.00 C ATOM 713 CG ARG A 53 -3.741 12.711 0.329 1.00 0.00 C ATOM 714 CD ARG A 53 -3.268 13.770 1.335 1.00 0.00 C ATOM 715 NE ARG A 53 -4.083 14.996 1.298 1.00 0.00 N ATOM 716 CZ ARG A 53 -5.347 15.126 1.730 1.00 0.00 C ATOM 717 NH1 ARG A 53 -6.035 14.085 2.207 1.00 0.00 N ATOM 718 NH2 ARG A 53 -5.947 16.318 1.673 1.00 0.00 N ATOM 0 H ARG A 53 -5.955 13.857 -0.800 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.698 12.983 -3.050 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.736 13.002 -1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.803 14.318 -1.109 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.756 12.402 0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.109 11.827 0.410 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.298 13.349 2.340 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.229 14.024 1.127 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.643 15.828 0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.601 13.163 2.249 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.995 14.212 2.529 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.445 17.125 1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.908 16.422 2.000 1.00 0.00 H new ATOM 732 N LYS A 54 -5.271 10.420 -1.130 1.00 0.00 N ATOM 733 CA LYS A 54 -5.211 8.972 -1.047 1.00 0.00 C ATOM 734 C LYS A 54 -5.983 8.294 -2.178 1.00 0.00 C ATOM 735 O LYS A 54 -5.671 7.160 -2.522 1.00 0.00 O ATOM 736 CB LYS A 54 -5.747 8.528 0.312 1.00 0.00 C ATOM 737 CG LYS A 54 -5.056 9.233 1.486 1.00 0.00 C ATOM 738 CD LYS A 54 -3.549 8.955 1.546 1.00 0.00 C ATOM 739 CE LYS A 54 -2.954 9.284 2.920 1.00 0.00 C ATOM 740 NZ LYS A 54 -3.040 10.719 3.234 1.00 0.00 N ATOM 0 H LYS A 54 -5.786 10.852 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.170 8.667 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.818 8.725 0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.616 7.451 0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.219 10.308 1.405 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.517 8.910 2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.365 7.906 1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.042 9.544 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.478 8.714 3.687 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.911 8.970 2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.626 10.895 4.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.518 11.263 2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.037 11.015 3.235 1.00 0.00 H new ATOM 754 N ALA A 55 -6.980 8.971 -2.754 1.00 0.00 N ATOM 755 CA ALA A 55 -7.816 8.453 -3.839 1.00 0.00 C ATOM 756 C ALA A 55 -7.025 7.666 -4.897 1.00 0.00 C ATOM 757 O ALA A 55 -7.441 6.583 -5.313 1.00 0.00 O ATOM 758 CB ALA A 55 -8.591 9.600 -4.494 1.00 0.00 C ATOM 0 H ALA A 55 -7.234 9.918 -2.471 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.511 7.744 -3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.211 9.207 -5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.226 10.082 -3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.889 10.329 -4.899 1.00 0.00 H new ATOM 764 N MET A 56 -5.883 8.205 -5.334 1.00 0.00 N ATOM 765 CA MET A 56 -5.028 7.543 -6.311 1.00 0.00 C ATOM 766 C MET A 56 -4.599 6.169 -5.785 1.00 0.00 C ATOM 767 O MET A 56 -4.762 5.149 -6.457 1.00 0.00 O ATOM 768 CB MET A 56 -3.824 8.450 -6.610 1.00 0.00 C ATOM 769 CG MET A 56 -2.850 7.831 -7.621 1.00 0.00 C ATOM 770 SD MET A 56 -3.555 7.437 -9.242 1.00 0.00 S ATOM 771 CE MET A 56 -2.146 6.587 -9.986 1.00 0.00 C ATOM 0 H MET A 56 -5.530 9.109 -5.019 1.00 0.00 H new ATOM 0 HA MET A 56 -5.570 7.375 -7.242 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.181 9.405 -6.995 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.293 8.659 -5.681 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.017 8.519 -7.764 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.439 6.917 -7.191 1.00 0.00 H new ATOM 0 HE1 MET A 56 -2.404 6.271 -10.997 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.292 7.263 -10.024 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.891 5.713 -9.387 1.00 0.00 H new ATOM 781 N MET A 57 -4.056 6.148 -4.566 1.00 0.00 N ATOM 782 CA MET A 57 -3.622 4.928 -3.910 1.00 0.00 C ATOM 783 C MET A 57 -4.809 3.981 -3.773 1.00 0.00 C ATOM 784 O MET A 57 -4.686 2.821 -4.148 1.00 0.00 O ATOM 785 CB MET A 57 -2.976 5.265 -2.565 1.00 0.00 C ATOM 786 CG MET A 57 -2.608 4.016 -1.755 1.00 0.00 C ATOM 787 SD MET A 57 -1.536 4.349 -0.336 1.00 0.00 S ATOM 788 CE MET A 57 -2.134 5.950 0.224 1.00 0.00 C ATOM 0 H MET A 57 -3.907 6.988 -4.007 1.00 0.00 H new ATOM 0 HA MET A 57 -2.865 4.420 -4.508 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.078 5.859 -2.737 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.660 5.882 -1.983 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.524 3.541 -1.402 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.112 3.302 -2.413 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.757 6.149 1.227 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.785 6.727 -0.456 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.224 5.946 0.241 1.00 0.00 H new ATOM 798 N THR A 58 -5.947 4.466 -3.264 1.00 0.00 N ATOM 799 CA THR A 58 -7.182 3.704 -3.134 1.00 0.00 C ATOM 800 C THR A 58 -7.484 2.964 -4.441 1.00 0.00 C ATOM 801 O THR A 58 -7.656 1.743 -4.437 1.00 0.00 O ATOM 802 CB THR A 58 -8.317 4.652 -2.709 1.00 0.00 C ATOM 803 OG1 THR A 58 -8.092 5.081 -1.383 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.717 4.043 -2.822 1.00 0.00 C ATOM 0 H THR A 58 -6.031 5.424 -2.924 1.00 0.00 H new ATOM 0 HA THR A 58 -7.081 2.942 -2.361 1.00 0.00 H new ATOM 0 HB THR A 58 -8.296 5.491 -3.405 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.311 4.355 -0.763 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.459 4.775 -2.504 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.908 3.759 -3.857 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.782 3.160 -2.186 1.00 0.00 H new ATOM 812 N ASN A 59 -7.526 3.686 -5.568 1.00 0.00 N ATOM 813 CA ASN A 59 -7.797 3.040 -6.846 1.00 0.00 C ATOM 814 C ASN A 59 -6.694 2.038 -7.192 1.00 0.00 C ATOM 815 O ASN A 59 -6.993 0.948 -7.673 1.00 0.00 O ATOM 816 CB ASN A 59 -7.975 4.048 -7.983 1.00 0.00 C ATOM 817 CG ASN A 59 -8.712 3.468 -9.200 1.00 0.00 C ATOM 818 OD1 ASN A 59 -9.270 4.232 -9.979 1.00 0.00 O ATOM 819 ND2 ASN A 59 -8.773 2.148 -9.408 1.00 0.00 N ATOM 0 H ASN A 59 -7.379 4.694 -5.616 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.741 2.506 -6.736 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.526 4.911 -7.611 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.995 4.407 -8.298 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.282 1.781 -10.212 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.310 1.508 -8.762 1.00 0.00 H new ATOM 826 N ALA A 60 -5.429 2.402 -6.975 1.00 0.00 N ATOM 827 CA ALA A 60 -4.310 1.532 -7.302 1.00 0.00 C ATOM 828 C ALA A 60 -4.396 0.203 -6.547 1.00 0.00 C ATOM 829 O ALA A 60 -4.222 -0.857 -7.140 1.00 0.00 O ATOM 830 CB ALA A 60 -2.983 2.245 -7.020 1.00 0.00 C ATOM 0 H ALA A 60 -5.158 3.299 -6.572 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.358 1.302 -8.366 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.154 1.583 -7.269 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.920 3.149 -7.626 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.930 2.511 -5.964 1.00 0.00 H new ATOM 836 N VAL A 61 -4.667 0.254 -5.241 1.00 0.00 N ATOM 837 CA VAL A 61 -4.696 -0.930 -4.399 1.00 0.00 C ATOM 838 C VAL A 61 -5.956 -1.775 -4.605 1.00 0.00 C ATOM 839 O VAL A 61 -5.844 -3.000 -4.662 1.00 0.00 O ATOM 840 CB VAL A 61 -4.436 -0.553 -2.930 1.00 0.00 C ATOM 841 CG1 VAL A 61 -5.573 0.241 -2.288 1.00 0.00 C ATOM 842 CG2 VAL A 61 -4.193 -1.809 -2.092 1.00 0.00 C ATOM 0 H VAL A 61 -4.872 1.120 -4.743 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.880 -1.583 -4.709 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.554 0.087 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.318 0.470 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.725 1.169 -2.839 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.489 -0.350 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.011 -1.525 -1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.069 -2.455 -2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.326 -2.343 -2.480 1.00 0.00 H new ATOM 852 N LYS A 62 -7.149 -1.177 -4.758 1.00 0.00 N ATOM 853 CA LYS A 62 -8.377 -1.948 -4.883 1.00 0.00 C ATOM 854 C LYS A 62 -8.412 -2.920 -6.066 1.00 0.00 C ATOM 855 O LYS A 62 -9.337 -3.719 -6.171 1.00 0.00 O ATOM 856 CB LYS A 62 -9.582 -1.011 -4.887 1.00 0.00 C ATOM 857 CG LYS A 62 -9.775 -0.247 -6.201 1.00 0.00 C ATOM 858 CD LYS A 62 -11.096 0.533 -6.246 1.00 0.00 C ATOM 859 CE LYS A 62 -11.261 1.456 -5.035 1.00 0.00 C ATOM 860 NZ LYS A 62 -12.382 2.395 -5.215 1.00 0.00 N ATOM 0 H LYS A 62 -7.279 -0.166 -4.797 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.417 -2.595 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.481 -1.592 -4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.473 -0.293 -4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.945 0.445 -6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.745 -0.951 -7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.136 1.125 -7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.930 -0.168 -6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.429 0.856 -4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -10.339 2.016 -4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.463 3.004 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.210 2.984 -6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.265 1.861 -5.342 1.00 0.00 H new ATOM 874 N LYS A 63 -7.445 -2.833 -6.983 1.00 0.00 N ATOM 875 CA LYS A 63 -7.293 -3.782 -8.058 1.00 0.00 C ATOM 876 C LYS A 63 -7.164 -5.200 -7.461 1.00 0.00 C ATOM 877 O LYS A 63 -7.628 -6.175 -8.048 1.00 0.00 O ATOM 878 CB LYS A 63 -6.010 -3.425 -8.821 1.00 0.00 C ATOM 879 CG LYS A 63 -6.240 -2.656 -10.127 1.00 0.00 C ATOM 880 CD LYS A 63 -6.659 -1.207 -9.860 1.00 0.00 C ATOM 881 CE LYS A 63 -6.877 -0.426 -11.162 1.00 0.00 C ATOM 882 NZ LYS A 63 -5.643 -0.318 -11.959 1.00 0.00 N ATOM 0 H LYS A 63 -6.746 -2.090 -6.989 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.152 -3.753 -8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.370 -2.829 -8.171 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.468 -4.344 -9.046 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.327 -2.668 -10.723 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.010 -3.156 -10.714 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.577 -1.197 -9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.893 -0.712 -9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.648 -0.918 -11.754 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.245 0.573 -10.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.785 0.367 -12.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.863 0.003 -11.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.408 -1.247 -12.362 1.00 0.00 H new ATOM 896 N ALA A 64 -6.482 -5.308 -6.313 1.00 0.00 N ATOM 897 CA ALA A 64 -6.225 -6.547 -5.600 1.00 0.00 C ATOM 898 C ALA A 64 -7.492 -7.084 -4.928 1.00 0.00 C ATOM 899 O ALA A 64 -8.372 -6.327 -4.528 1.00 0.00 O ATOM 900 CB ALA A 64 -5.125 -6.277 -4.574 1.00 0.00 C ATOM 0 H ALA A 64 -6.082 -4.496 -5.844 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.903 -7.316 -6.302 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.910 -7.192 -4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.223 -5.942 -5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.456 -5.504 -3.881 1.00 0.00 H new ATOM 906 N SER A 65 -7.553 -8.410 -4.785 1.00 0.00 N ATOM 907 CA SER A 65 -8.686 -9.150 -4.246 1.00 0.00 C ATOM 908 C SER A 65 -8.695 -9.175 -2.713 1.00 0.00 C ATOM 909 O SER A 65 -9.385 -8.393 -2.068 1.00 0.00 O ATOM 910 CB SER A 65 -8.621 -10.565 -4.838 1.00 0.00 C ATOM 911 OG SER A 65 -7.317 -11.103 -4.650 1.00 0.00 O ATOM 0 H SER A 65 -6.780 -9.018 -5.054 1.00 0.00 H new ATOM 0 HA SER A 65 -9.618 -8.658 -4.525 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.362 -11.205 -4.358 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.864 -10.537 -5.900 1.00 0.00 H new ATOM 0 HG SER A 65 -7.278 -12.007 -5.027 1.00 0.00 H new ATOM 917 N ASP A 66 -7.951 -10.125 -2.144 1.00 0.00 N ATOM 918 CA ASP A 66 -7.789 -10.340 -0.708 1.00 0.00 C ATOM 919 C ASP A 66 -6.468 -11.055 -0.463 1.00 0.00 C ATOM 920 O ASP A 66 -5.641 -10.573 0.307 1.00 0.00 O ATOM 921 CB ASP A 66 -8.960 -11.117 -0.099 1.00 0.00 C ATOM 922 CG ASP A 66 -8.686 -11.431 1.374 1.00 0.00 C ATOM 923 OD1 ASP A 66 -8.290 -10.492 2.102 1.00 0.00 O ATOM 924 OD2 ASP A 66 -8.852 -12.614 1.740 1.00 0.00 O ATOM 0 H ASP A 66 -7.421 -10.796 -2.700 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.780 -9.369 -0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.877 -10.534 -0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.116 -12.043 -0.652 1.00 0.00 H new ATOM 929 N GLU A 67 -6.268 -12.190 -1.146 1.00 0.00 N ATOM 930 CA GLU A 67 -5.005 -12.921 -1.129 1.00 0.00 C ATOM 931 C GLU A 67 -3.885 -11.915 -1.376 1.00 0.00 C ATOM 932 O GLU A 67 -2.919 -11.811 -0.626 1.00 0.00 O ATOM 933 CB GLU A 67 -5.034 -13.995 -2.233 1.00 0.00 C ATOM 934 CG GLU A 67 -3.692 -14.724 -2.410 1.00 0.00 C ATOM 935 CD GLU A 67 -3.722 -15.662 -3.615 1.00 0.00 C ATOM 936 OE1 GLU A 67 -4.216 -16.796 -3.440 1.00 0.00 O ATOM 937 OE2 GLU A 67 -3.264 -15.226 -4.697 1.00 0.00 O ATOM 0 H GLU A 67 -6.985 -12.625 -1.727 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.844 -13.419 -0.173 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.808 -14.726 -1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.313 -13.527 -3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.893 -13.993 -2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.464 -15.294 -1.509 1.00 0.00 H new ATOM 944 N GLU A 68 -4.074 -11.151 -2.446 1.00 0.00 N ATOM 945 CA GLU A 68 -3.205 -10.117 -2.906 1.00 0.00 C ATOM 946 C GLU A 68 -3.038 -9.008 -1.868 1.00 0.00 C ATOM 947 O GLU A 68 -1.913 -8.603 -1.589 1.00 0.00 O ATOM 948 CB GLU A 68 -3.869 -9.575 -4.163 1.00 0.00 C ATOM 949 CG GLU A 68 -3.888 -10.517 -5.376 1.00 0.00 C ATOM 950 CD GLU A 68 -2.516 -10.923 -5.910 1.00 0.00 C ATOM 951 OE1 GLU A 68 -1.494 -10.405 -5.411 1.00 0.00 O ATOM 952 OE2 GLU A 68 -2.520 -11.769 -6.831 1.00 0.00 O ATOM 0 H GLU A 68 -4.896 -11.258 -3.041 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.202 -10.500 -3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.897 -9.308 -3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.360 -8.655 -4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.436 -11.420 -5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.444 -10.036 -6.180 1.00 0.00 H new ATOM 959 N LEU A 69 -4.142 -8.486 -1.320 1.00 0.00 N ATOM 960 CA LEU A 69 -4.119 -7.444 -0.328 1.00 0.00 C ATOM 961 C LEU A 69 -3.211 -7.866 0.835 1.00 0.00 C ATOM 962 O LEU A 69 -2.256 -7.169 1.191 1.00 0.00 O ATOM 963 CB LEU A 69 -5.569 -7.192 0.121 1.00 0.00 C ATOM 964 CG LEU A 69 -6.551 -6.584 -0.906 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.916 -6.357 -0.241 1.00 0.00 C ATOM 966 CD2 LEU A 69 -6.153 -5.213 -1.467 1.00 0.00 C ATOM 0 H LEU A 69 -5.083 -8.791 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.712 -6.516 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.984 -8.142 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.540 -6.531 0.987 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.557 -7.307 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.607 -5.928 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.309 -7.309 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.802 -5.673 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.908 -4.877 -2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.077 -4.494 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.190 -5.292 -1.972 1.00 0.00 H new ATOM 978 N LYS A 70 -3.484 -9.047 1.394 1.00 0.00 N ATOM 979 CA LYS A 70 -2.728 -9.630 2.474 1.00 0.00 C ATOM 980 C LYS A 70 -1.272 -9.818 2.056 1.00 0.00 C ATOM 981 O LYS A 70 -0.354 -9.502 2.810 1.00 0.00 O ATOM 982 CB LYS A 70 -3.405 -10.957 2.841 1.00 0.00 C ATOM 983 CG LYS A 70 -3.076 -11.311 4.283 1.00 0.00 C ATOM 984 CD LYS A 70 -3.440 -12.760 4.633 1.00 0.00 C ATOM 985 CE LYS A 70 -4.946 -13.025 4.503 1.00 0.00 C ATOM 986 NZ LYS A 70 -5.288 -14.396 4.919 1.00 0.00 N ATOM 0 H LYS A 70 -4.263 -9.631 1.089 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.715 -8.979 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.484 -10.875 2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.064 -11.749 2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.011 -11.156 4.457 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.610 -10.635 4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.895 -13.439 3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.121 -12.977 5.652 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.497 -12.310 5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.257 -12.868 3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.313 -14.544 4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.780 -15.078 4.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.013 -14.536 5.912 1.00 0.00 H new ATOM 1000 N ALA A 71 -1.058 -10.328 0.845 1.00 0.00 N ATOM 1001 CA ALA A 71 0.273 -10.573 0.333 1.00 0.00 C ATOM 1002 C ALA A 71 1.071 -9.288 0.132 1.00 0.00 C ATOM 1003 O ALA A 71 2.281 -9.315 0.341 1.00 0.00 O ATOM 1004 CB ALA A 71 0.198 -11.409 -0.944 1.00 0.00 C ATOM 0 H ALA A 71 -1.806 -10.580 0.198 1.00 0.00 H new ATOM 0 HA ALA A 71 0.820 -11.142 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.205 -11.588 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.283 -12.363 -0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.382 -10.873 -1.696 1.00 0.00 H new ATOM 1010 N LEU A 72 0.448 -8.167 -0.259 1.00 0.00 N ATOM 1011 CA LEU A 72 1.190 -6.930 -0.420 1.00 0.00 C ATOM 1012 C LEU A 72 1.690 -6.536 0.963 1.00 0.00 C ATOM 1013 O LEU A 72 2.877 -6.273 1.139 1.00 0.00 O ATOM 1014 CB LEU A 72 0.289 -5.868 -1.063 1.00 0.00 C ATOM 1015 CG LEU A 72 0.682 -5.499 -2.501 1.00 0.00 C ATOM 1016 CD1 LEU A 72 -0.460 -4.692 -3.125 1.00 0.00 C ATOM 1017 CD2 LEU A 72 1.986 -4.697 -2.576 1.00 0.00 C ATOM 0 H LEU A 72 -0.549 -8.101 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 72 2.045 -7.040 -1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.739 -6.230 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.312 -4.968 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 72 0.855 -6.425 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.198 -4.421 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.369 -5.293 -3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.627 -3.787 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.212 -4.466 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.876 -3.770 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.799 -5.284 -2.150 1.00 0.00 H new ATOM 1029 N ALA A 73 0.790 -6.540 1.950 1.00 0.00 N ATOM 1030 CA ALA A 73 1.155 -6.249 3.325 1.00 0.00 C ATOM 1031 C ALA A 73 2.302 -7.148 3.800 1.00 0.00 C ATOM 1032 O ALA A 73 3.327 -6.649 4.265 1.00 0.00 O ATOM 1033 CB ALA A 73 -0.082 -6.387 4.209 1.00 0.00 C ATOM 0 H ALA A 73 -0.200 -6.744 1.814 1.00 0.00 H new ATOM 0 HA ALA A 73 1.521 -5.224 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.184 -6.170 5.244 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.847 -5.686 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.467 -7.404 4.139 1.00 0.00 H new ATOM 1039 N ASP A 74 2.140 -8.470 3.680 1.00 0.00 N ATOM 1040 CA ASP A 74 3.162 -9.425 4.083 1.00 0.00 C ATOM 1041 C ASP A 74 4.499 -9.111 3.411 1.00 0.00 C ATOM 1042 O ASP A 74 5.506 -8.960 4.099 1.00 0.00 O ATOM 1043 CB ASP A 74 2.714 -10.853 3.759 1.00 0.00 C ATOM 1044 CG ASP A 74 3.785 -11.854 4.180 1.00 0.00 C ATOM 1045 OD1 ASP A 74 3.884 -12.097 5.402 1.00 0.00 O ATOM 1046 OD2 ASP A 74 4.497 -12.343 3.277 1.00 0.00 O ATOM 0 H ASP A 74 1.297 -8.901 3.301 1.00 0.00 H new ATOM 0 HA ASP A 74 3.302 -9.342 5.161 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.779 -11.073 4.274 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.520 -10.946 2.691 1.00 0.00 H new ATOM 1051 N TYR A 75 4.500 -9.004 2.077 1.00 0.00 N ATOM 1052 CA TYR A 75 5.693 -8.705 1.298 1.00 0.00 C ATOM 1053 C TYR A 75 6.380 -7.453 1.832 1.00 0.00 C ATOM 1054 O TYR A 75 7.529 -7.493 2.257 1.00 0.00 O ATOM 1055 CB TYR A 75 5.305 -8.500 -0.173 1.00 0.00 C ATOM 1056 CG TYR A 75 6.432 -7.989 -1.052 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.596 -8.760 -1.224 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.352 -6.709 -1.633 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.653 -8.272 -2.013 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.418 -6.213 -2.403 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.562 -7.003 -2.606 1.00 0.00 C ATOM 1062 OH TYR A 75 9.576 -6.551 -3.397 1.00 0.00 O ATOM 0 H TYR A 75 3.662 -9.125 1.509 1.00 0.00 H new ATOM 0 HA TYR A 75 6.387 -9.542 1.379 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.946 -9.447 -0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.474 -7.796 -0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.678 -9.727 -0.750 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.468 -6.106 -1.486 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.536 -8.875 -2.163 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.358 -5.226 -2.838 1.00 0.00 H new ATOM 0 HH TYR A 75 9.357 -5.656 -3.731 1.00 0.00 H new ATOM 1072 N MET A 76 5.653 -6.339 1.806 1.00 0.00 N ATOM 1073 CA MET A 76 6.149 -5.037 2.231 1.00 0.00 C ATOM 1074 C MET A 76 6.640 -5.043 3.682 1.00 0.00 C ATOM 1075 O MET A 76 7.553 -4.295 4.022 1.00 0.00 O ATOM 1076 CB MET A 76 5.064 -3.987 1.981 1.00 0.00 C ATOM 1077 CG MET A 76 4.813 -3.818 0.473 1.00 0.00 C ATOM 1078 SD MET A 76 3.602 -2.578 -0.053 1.00 0.00 S ATOM 1079 CE MET A 76 2.292 -2.783 1.173 1.00 0.00 C ATOM 0 H MET A 76 4.686 -6.318 1.483 1.00 0.00 H new ATOM 0 HA MET A 76 7.027 -4.782 1.638 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.141 -4.285 2.478 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.366 -3.033 2.414 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.765 -3.576 0.001 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.497 -4.783 0.077 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.463 -2.117 0.934 1.00 0.00 H new ATOM 0 HE2 MET A 76 1.943 -3.816 1.163 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.679 -2.540 2.163 1.00 0.00 H new ATOM 1089 N SER A 77 6.064 -5.884 4.543 1.00 0.00 N ATOM 1090 CA SER A 77 6.522 -6.007 5.922 1.00 0.00 C ATOM 1091 C SER A 77 7.875 -6.726 6.022 1.00 0.00 C ATOM 1092 O SER A 77 8.506 -6.693 7.075 1.00 0.00 O ATOM 1093 CB SER A 77 5.464 -6.755 6.742 1.00 0.00 C ATOM 1094 OG SER A 77 5.668 -6.594 8.134 1.00 0.00 O ATOM 0 H SER A 77 5.278 -6.490 4.306 1.00 0.00 H new ATOM 0 HA SER A 77 6.664 -5.002 6.320 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.472 -6.390 6.475 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.492 -7.815 6.491 1.00 0.00 H new ATOM 0 HG SER A 77 5.606 -5.644 8.366 1.00 0.00 H new ATOM 1100 N LYS A 78 8.317 -7.395 4.953 1.00 0.00 N ATOM 1101 CA LYS A 78 9.541 -8.183 4.918 1.00 0.00 C ATOM 1102 C LYS A 78 10.336 -7.706 3.707 1.00 0.00 C ATOM 1103 O LYS A 78 10.693 -8.491 2.830 1.00 0.00 O ATOM 1104 CB LYS A 78 9.162 -9.669 4.810 1.00 0.00 C ATOM 1105 CG LYS A 78 8.319 -10.132 6.007 1.00 0.00 C ATOM 1106 CD LYS A 78 7.964 -11.617 5.865 1.00 0.00 C ATOM 1107 CE LYS A 78 7.233 -12.146 7.105 1.00 0.00 C ATOM 1108 NZ LYS A 78 5.946 -11.463 7.327 1.00 0.00 N ATOM 0 H LYS A 78 7.815 -7.400 4.065 1.00 0.00 H new ATOM 0 HA LYS A 78 10.146 -8.063 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.606 -9.836 3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.068 -10.272 4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.870 -9.970 6.933 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.408 -9.538 6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.337 -11.759 4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.874 -12.195 5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.060 -13.216 6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.867 -12.016 7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.496 -11.841 8.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.110 -10.443 7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.323 -11.623 6.510 1.00 0.00 H new ATOM 1122 N LEU A 79 10.581 -6.398 3.668 1.00 0.00 N ATOM 1123 CA LEU A 79 11.154 -5.684 2.566 1.00 0.00 C ATOM 1124 C LEU A 79 12.190 -4.710 3.112 1.00 0.00 C ATOM 1125 O LEU A 79 11.922 -4.160 4.206 1.00 0.00 O ATOM 1126 CB LEU A 79 9.952 -4.956 1.977 1.00 0.00 C ATOM 1127 CG LEU A 79 10.248 -4.222 0.687 1.00 0.00 C ATOM 1128 CD1 LEU A 79 10.833 -5.123 -0.406 1.00 0.00 C ATOM 1129 CD2 LEU A 79 8.967 -3.552 0.191 1.00 0.00 C ATOM 1130 OXT LEU A 79 13.217 -4.518 2.429 1.00 0.00 O ATOM 0 H LEU A 79 10.367 -5.788 4.457 1.00 0.00 H new ATOM 0 HA LEU A 79 11.662 -6.302 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.155 -5.678 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.577 -4.243 2.711 1.00 0.00 H new ATOM 0 HG LEU A 79 11.013 -3.477 0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.021 -4.532 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.769 -5.559 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 79 10.126 -5.919 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.171 -3.020 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.204 -4.311 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.611 -2.847 0.942 1.00 0.00 H new