USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 844 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 84 THR OG1 : rot -2:sc= 0.661 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot -130:sc= 0.553 USER MOD Single : A 9 SER OG : rot 21:sc= 0.115 USER MOD Single : A 10 ASN : amide:sc= 0.174 K(o=0.17,f=-3.7!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -103:sc= 0.866 (180deg=-0.208) USER MOD Single : A 21 MET CE :methyl -169:sc= -0.76 (180deg=-1.26) USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00601) USER MOD Single : A 26 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.068) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 39 LYS NZ :NH3+ -137:sc= -0.371 (180deg=-2.28!) USER MOD Single : A 40 LYS NZ :NH3+ 136:sc= 0.747 (180deg=0.0424) USER MOD Single : A 41 TYR OH : rot -139:sc= 0.53 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -86:sc= 0.47 USER MOD Single : A 50 GLN : amide:sc= -0.667 X(o=-0.67,f=-0.25) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= -0.147 (180deg=-0.157) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -153:sc= 0.0494 (180deg=-1.22) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -124:sc= -0.24 (180deg=-0.573) USER MOD Single : A 74 MET CE :methyl -110:sc= -1.78 (180deg=-2.27!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 0.548 (180deg=0.507) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.261 -0.832 10.278 1.00 52.44 N ATOM 21 CA LEU A 2 -9.713 -1.774 9.292 1.00 1.34 C ATOM 22 C LEU A 2 -8.468 -1.142 8.637 1.00 14.10 C ATOM 23 O LEU A 2 -8.572 -0.111 7.976 1.00 12.22 O ATOM 24 CB LEU A 2 -10.795 -2.117 8.224 1.00 61.43 C ATOM 25 CG LEU A 2 -12.091 -2.813 8.752 1.00 43.52 C ATOM 26 CD1 LEU A 2 -13.117 -3.016 7.615 1.00 35.15 C ATOM 27 CD2 LEU A 2 -11.771 -4.156 9.457 1.00 63.41 C ATOM 0 HA LEU A 2 -9.422 -2.703 9.783 1.00 1.34 H new ATOM 0 HB2 LEU A 2 -11.083 -1.195 7.720 1.00 61.43 H new ATOM 0 HB3 LEU A 2 -10.341 -2.763 7.472 1.00 61.43 H new ATOM 0 HG LEU A 2 -12.536 -2.151 9.494 1.00 43.52 H new ATOM 0 HD11 LEU A 2 -14.008 -3.502 8.012 1.00 35.15 H new ATOM 0 HD12 LEU A 2 -13.389 -2.048 7.193 1.00 35.15 H new ATOM 0 HD13 LEU A 2 -12.679 -3.641 6.837 1.00 35.15 H new ATOM 0 HD21 LEU A 2 -12.696 -4.611 9.811 1.00 63.41 H new ATOM 0 HD22 LEU A 2 -11.282 -4.829 8.753 1.00 63.41 H new ATOM 0 HD23 LEU A 2 -11.109 -3.974 10.304 1.00 63.41 H new ATOM 39 N LEU A 3 -7.284 -1.739 8.869 1.00 55.32 N ATOM 40 CA LEU A 3 -6.001 -1.218 8.357 1.00 13.15 C ATOM 41 C LEU A 3 -5.408 -2.224 7.342 1.00 13.43 C ATOM 42 O LEU A 3 -5.087 -3.358 7.712 1.00 13.10 O ATOM 43 CB LEU A 3 -5.013 -0.977 9.543 1.00 32.01 C ATOM 44 CG LEU A 3 -5.486 -0.004 10.675 1.00 45.11 C ATOM 45 CD1 LEU A 3 -4.411 0.137 11.782 1.00 65.44 C ATOM 46 CD2 LEU A 3 -5.883 1.378 10.112 1.00 75.24 C ATOM 0 H LEU A 3 -7.189 -2.595 9.416 1.00 55.32 H new ATOM 0 HA LEU A 3 -6.165 -0.266 7.852 1.00 13.15 H new ATOM 0 HB2 LEU A 3 -4.788 -1.942 9.998 1.00 32.01 H new ATOM 0 HB3 LEU A 3 -4.079 -0.592 9.133 1.00 32.01 H new ATOM 0 HG LEU A 3 -6.376 -0.443 11.125 1.00 45.11 H new ATOM 0 HD11 LEU A 3 -4.770 0.819 12.553 1.00 65.44 H new ATOM 0 HD12 LEU A 3 -4.214 -0.840 12.224 1.00 65.44 H new ATOM 0 HD13 LEU A 3 -3.492 0.531 11.348 1.00 65.44 H new ATOM 0 HD21 LEU A 3 -6.205 2.024 10.928 1.00 75.24 H new ATOM 0 HD22 LEU A 3 -5.025 1.827 9.611 1.00 75.24 H new ATOM 0 HD23 LEU A 3 -6.699 1.260 9.399 1.00 75.24 H new ATOM 58 N TYR A 4 -5.288 -1.814 6.062 1.00 65.13 N ATOM 59 CA TYR A 4 -4.769 -2.673 4.972 1.00 52.01 C ATOM 60 C TYR A 4 -3.613 -1.974 4.255 1.00 13.34 C ATOM 61 O TYR A 4 -3.641 -0.764 4.058 1.00 0.04 O ATOM 62 CB TYR A 4 -5.900 -3.025 3.967 1.00 4.43 C ATOM 63 CG TYR A 4 -6.974 -3.929 4.581 1.00 43.44 C ATOM 64 CD1 TYR A 4 -6.767 -5.306 4.695 1.00 43.31 C ATOM 65 CD2 TYR A 4 -8.160 -3.407 5.096 1.00 40.12 C ATOM 66 CE1 TYR A 4 -7.705 -6.122 5.299 1.00 15.34 C ATOM 67 CE2 TYR A 4 -9.105 -4.225 5.686 1.00 41.11 C ATOM 68 CZ TYR A 4 -8.869 -5.575 5.792 1.00 63.14 C ATOM 69 OH TYR A 4 -9.790 -6.385 6.419 1.00 73.14 O ATOM 0 H TYR A 4 -5.548 -0.877 5.753 1.00 65.13 H new ATOM 0 HA TYR A 4 -4.399 -3.601 5.408 1.00 52.01 H new ATOM 0 HB2 TYR A 4 -6.364 -2.105 3.612 1.00 4.43 H new ATOM 0 HB3 TYR A 4 -5.467 -3.520 3.098 1.00 4.43 H new ATOM 0 HD1 TYR A 4 -5.859 -5.740 4.305 1.00 43.31 H new ATOM 0 HD2 TYR A 4 -8.343 -2.345 5.033 1.00 40.12 H new ATOM 0 HE1 TYR A 4 -7.526 -7.184 5.384 1.00 15.34 H new ATOM 0 HE2 TYR A 4 -10.026 -3.805 6.063 1.00 41.11 H new ATOM 0 HH TYR A 4 -10.678 -6.231 6.033 1.00 73.14 H new ATOM 79 N VAL A 5 -2.600 -2.755 3.877 1.00 1.41 N ATOM 80 CA VAL A 5 -1.400 -2.263 3.189 1.00 54.51 C ATOM 81 C VAL A 5 -1.311 -2.906 1.790 1.00 24.31 C ATOM 82 O VAL A 5 -1.515 -4.111 1.637 1.00 0.23 O ATOM 83 CB VAL A 5 -0.093 -2.585 4.019 1.00 32.31 C ATOM 84 CG1 VAL A 5 1.166 -2.021 3.325 1.00 45.22 C ATOM 85 CG2 VAL A 5 -0.202 -2.059 5.473 1.00 43.13 C ATOM 0 H VAL A 5 -2.587 -3.762 4.041 1.00 1.41 H new ATOM 0 HA VAL A 5 -1.476 -1.180 3.091 1.00 54.51 H new ATOM 0 HB VAL A 5 0.004 -3.670 4.062 1.00 32.31 H new ATOM 0 HG11 VAL A 5 2.047 -2.259 3.921 1.00 45.22 H new ATOM 0 HG12 VAL A 5 1.266 -2.466 2.335 1.00 45.22 H new ATOM 0 HG13 VAL A 5 1.075 -0.939 3.229 1.00 45.22 H new ATOM 0 HG21 VAL A 5 0.713 -2.297 6.016 1.00 43.13 H new ATOM 0 HG22 VAL A 5 -0.345 -0.979 5.459 1.00 43.13 H new ATOM 0 HG23 VAL A 5 -1.051 -2.531 5.968 1.00 43.13 H new ATOM 95 N LEU A 6 -1.069 -2.074 0.775 1.00 11.25 N ATOM 96 CA LEU A 6 -0.741 -2.499 -0.594 1.00 1.42 C ATOM 97 C LEU A 6 0.670 -1.995 -0.921 1.00 5.43 C ATOM 98 O LEU A 6 1.106 -0.981 -0.368 1.00 25.33 O ATOM 99 CB LEU A 6 -1.787 -1.926 -1.598 1.00 32.22 C ATOM 100 CG LEU A 6 -3.274 -2.309 -1.304 1.00 13.14 C ATOM 101 CD1 LEU A 6 -4.248 -1.731 -2.355 1.00 52.34 C ATOM 102 CD2 LEU A 6 -3.433 -3.834 -1.178 1.00 12.24 C ATOM 0 H LEU A 6 -1.096 -1.060 0.881 1.00 11.25 H new ATOM 0 HA LEU A 6 -0.770 -3.586 -0.675 1.00 1.42 H new ATOM 0 HB2 LEU A 6 -1.703 -0.839 -1.604 1.00 32.22 H new ATOM 0 HB3 LEU A 6 -1.531 -2.271 -2.600 1.00 32.22 H new ATOM 0 HG LEU A 6 -3.538 -1.857 -0.348 1.00 13.14 H new ATOM 0 HD11 LEU A 6 -5.268 -2.025 -2.106 1.00 52.34 H new ATOM 0 HD12 LEU A 6 -4.175 -0.643 -2.360 1.00 52.34 H new ATOM 0 HD13 LEU A 6 -3.990 -2.116 -3.341 1.00 52.34 H new ATOM 0 HD21 LEU A 6 -4.476 -4.075 -0.973 1.00 12.24 H new ATOM 0 HD22 LEU A 6 -3.126 -4.310 -2.109 1.00 12.24 H new ATOM 0 HD23 LEU A 6 -2.809 -4.199 -0.362 1.00 12.24 H new ATOM 114 N ILE A 7 1.391 -2.702 -1.798 1.00 63.33 N ATOM 115 CA ILE A 7 2.751 -2.301 -2.195 1.00 53.34 C ATOM 116 C ILE A 7 2.973 -2.547 -3.698 1.00 75.43 C ATOM 117 O ILE A 7 2.877 -3.676 -4.178 1.00 14.31 O ATOM 118 CB ILE A 7 3.851 -3.037 -1.329 1.00 22.31 C ATOM 119 CG1 ILE A 7 5.286 -2.592 -1.761 1.00 51.15 C ATOM 120 CG2 ILE A 7 3.705 -4.580 -1.373 1.00 4.13 C ATOM 121 CD1 ILE A 7 6.405 -3.220 -0.958 1.00 71.22 C ATOM 0 H ILE A 7 1.058 -3.555 -2.248 1.00 63.33 H new ATOM 0 HA ILE A 7 2.851 -1.232 -2.005 1.00 53.34 H new ATOM 0 HB ILE A 7 3.695 -2.739 -0.292 1.00 22.31 H new ATOM 0 HG12 ILE A 7 5.428 -2.838 -2.813 1.00 51.15 H new ATOM 0 HG13 ILE A 7 5.358 -1.508 -1.675 1.00 51.15 H new ATOM 0 HG21 ILE A 7 4.484 -5.037 -0.763 1.00 4.13 H new ATOM 0 HG22 ILE A 7 2.727 -4.864 -0.985 1.00 4.13 H new ATOM 0 HG23 ILE A 7 3.801 -4.925 -2.402 1.00 4.13 H new ATOM 0 HD11 ILE A 7 7.365 -2.856 -1.325 1.00 71.22 H new ATOM 0 HD12 ILE A 7 6.293 -2.953 0.093 1.00 71.22 H new ATOM 0 HD13 ILE A 7 6.364 -4.304 -1.063 1.00 71.22 H new ATOM 133 N ILE A 8 3.237 -1.460 -4.438 1.00 22.13 N ATOM 134 CA ILE A 8 3.589 -1.519 -5.862 1.00 21.11 C ATOM 135 C ILE A 8 5.105 -1.296 -5.968 1.00 61.43 C ATOM 136 O ILE A 8 5.578 -0.166 -5.820 1.00 15.30 O ATOM 137 CB ILE A 8 2.820 -0.404 -6.679 1.00 22.14 C ATOM 138 CG1 ILE A 8 1.318 -0.364 -6.257 1.00 65.10 C ATOM 139 CG2 ILE A 8 2.970 -0.617 -8.211 1.00 63.13 C ATOM 140 CD1 ILE A 8 0.516 0.765 -6.856 1.00 70.23 C ATOM 0 H ILE A 8 3.212 -0.512 -4.063 1.00 22.13 H new ATOM 0 HA ILE A 8 3.306 -2.485 -6.279 1.00 21.11 H new ATOM 0 HB ILE A 8 3.269 0.561 -6.444 1.00 22.14 H new ATOM 0 HG12 ILE A 8 0.852 -1.309 -6.537 1.00 65.10 H new ATOM 0 HG13 ILE A 8 1.263 -0.292 -5.171 1.00 65.10 H new ATOM 0 HG21 ILE A 8 2.429 0.167 -8.742 1.00 63.13 H new ATOM 0 HG22 ILE A 8 4.025 -0.578 -8.482 1.00 63.13 H new ATOM 0 HG23 ILE A 8 2.561 -1.589 -8.485 1.00 63.13 H new ATOM 0 HD11 ILE A 8 -0.514 0.707 -6.503 1.00 70.23 H new ATOM 0 HD12 ILE A 8 0.949 1.719 -6.555 1.00 70.23 H new ATOM 0 HD13 ILE A 8 0.532 0.686 -7.943 1.00 70.23 H new ATOM 152 N SER A 9 5.857 -2.382 -6.167 1.00 52.44 N ATOM 153 CA SER A 9 7.318 -2.330 -6.319 1.00 24.15 C ATOM 154 C SER A 9 7.810 -3.619 -6.981 1.00 20.34 C ATOM 155 O SER A 9 7.176 -4.675 -6.853 1.00 4.11 O ATOM 156 CB SER A 9 8.013 -2.124 -4.939 1.00 72.14 C ATOM 157 OG SER A 9 9.424 -1.990 -5.067 1.00 71.31 O ATOM 0 H SER A 9 5.472 -3.324 -6.228 1.00 52.44 H new ATOM 0 HA SER A 9 7.576 -1.481 -6.952 1.00 24.15 H new ATOM 0 HB2 SER A 9 7.607 -1.234 -4.458 1.00 72.14 H new ATOM 0 HB3 SER A 9 7.787 -2.969 -4.289 1.00 72.14 H new ATOM 0 HG SER A 9 9.645 -1.723 -5.984 1.00 71.31 H new ATOM 163 N ASN A 10 8.925 -3.511 -7.711 1.00 24.03 N ATOM 164 CA ASN A 10 9.611 -4.666 -8.327 1.00 40.15 C ATOM 165 C ASN A 10 10.862 -5.053 -7.509 1.00 23.54 C ATOM 166 O ASN A 10 11.483 -6.087 -7.768 1.00 52.05 O ATOM 167 CB ASN A 10 9.972 -4.361 -9.814 1.00 40.41 C ATOM 168 CG ASN A 10 10.961 -3.201 -10.023 1.00 31.52 C ATOM 169 OD1 ASN A 10 11.046 -2.271 -9.221 1.00 5.20 O ATOM 170 ND2 ASN A 10 11.714 -3.248 -11.115 1.00 31.22 N ATOM 0 H ASN A 10 9.384 -2.619 -7.896 1.00 24.03 H new ATOM 0 HA ASN A 10 8.933 -5.519 -8.319 1.00 40.15 H new ATOM 0 HB2 ASN A 10 10.393 -5.261 -10.261 1.00 40.41 H new ATOM 0 HB3 ASN A 10 9.053 -4.136 -10.356 1.00 40.41 H new ATOM 0 HD21 ASN A 10 12.383 -2.502 -11.306 1.00 31.22 H new ATOM 0 HD22 ASN A 10 11.624 -4.030 -11.763 1.00 31.22 H new ATOM 177 N ASP A 11 11.202 -4.223 -6.503 1.00 5.23 N ATOM 178 CA ASP A 11 12.400 -4.401 -5.666 1.00 45.40 C ATOM 179 C ASP A 11 12.092 -5.376 -4.515 1.00 21.03 C ATOM 180 O ASP A 11 11.377 -5.022 -3.575 1.00 52.24 O ATOM 181 CB ASP A 11 12.865 -3.027 -5.125 1.00 22.25 C ATOM 182 CG ASP A 11 14.229 -3.094 -4.421 1.00 51.03 C ATOM 183 OD1 ASP A 11 15.264 -3.001 -5.115 1.00 73.42 O ATOM 184 OD2 ASP A 11 14.277 -3.259 -3.185 1.00 42.42 O ATOM 0 H ASP A 11 10.648 -3.405 -6.249 1.00 5.23 H new ATOM 0 HA ASP A 11 13.207 -4.825 -6.264 1.00 45.40 H new ATOM 0 HB2 ASP A 11 12.922 -2.317 -5.950 1.00 22.25 H new ATOM 0 HB3 ASP A 11 12.120 -2.645 -4.427 1.00 22.25 H new ATOM 189 N LYS A 12 12.648 -6.596 -4.614 1.00 13.10 N ATOM 190 CA LYS A 12 12.356 -7.719 -3.689 1.00 43.24 C ATOM 191 C LYS A 12 12.789 -7.432 -2.237 1.00 4.53 C ATOM 192 O LYS A 12 12.202 -7.995 -1.304 1.00 24.44 O ATOM 193 CB LYS A 12 13.015 -9.031 -4.190 1.00 55.13 C ATOM 194 CG LYS A 12 12.554 -9.492 -5.588 1.00 61.34 C ATOM 195 CD LYS A 12 11.031 -9.746 -5.674 1.00 51.43 C ATOM 196 CE LYS A 12 10.594 -10.282 -7.048 1.00 54.42 C ATOM 197 NZ LYS A 12 9.131 -10.556 -7.092 1.00 23.24 N ATOM 0 H LYS A 12 13.319 -6.838 -5.343 1.00 13.10 H new ATOM 0 HA LYS A 12 11.272 -7.836 -3.683 1.00 43.24 H new ATOM 0 HB2 LYS A 12 14.096 -8.895 -4.206 1.00 55.13 H new ATOM 0 HB3 LYS A 12 12.804 -9.824 -3.473 1.00 55.13 H new ATOM 0 HG2 LYS A 12 12.832 -8.736 -6.323 1.00 61.34 H new ATOM 0 HG3 LYS A 12 13.084 -10.406 -5.855 1.00 61.34 H new ATOM 0 HD2 LYS A 12 10.742 -10.459 -4.902 1.00 51.43 H new ATOM 0 HD3 LYS A 12 10.500 -8.817 -5.465 1.00 51.43 H new ATOM 0 HE2 LYS A 12 10.852 -9.557 -7.820 1.00 54.42 H new ATOM 0 HE3 LYS A 12 11.143 -11.197 -7.273 1.00 54.42 H new ATOM 0 HZ1 LYS A 12 8.873 -10.916 -8.033 1.00 23.24 H new ATOM 0 HZ2 LYS A 12 8.889 -11.266 -6.372 1.00 23.24 H new ATOM 0 HZ3 LYS A 12 8.607 -9.678 -6.902 1.00 23.24 H new ATOM 211 N LYS A 13 13.809 -6.564 -2.051 1.00 42.03 N ATOM 212 CA LYS A 13 14.218 -6.108 -0.708 1.00 73.23 C ATOM 213 C LYS A 13 13.074 -5.295 -0.088 1.00 33.21 C ATOM 214 O LYS A 13 12.593 -5.627 0.985 1.00 43.32 O ATOM 215 CB LYS A 13 15.501 -5.232 -0.762 1.00 74.02 C ATOM 216 CG LYS A 13 16.799 -5.959 -1.173 1.00 22.24 C ATOM 217 CD LYS A 13 18.008 -4.985 -1.255 1.00 34.20 C ATOM 218 CE LYS A 13 18.264 -4.224 0.062 1.00 33.14 C ATOM 219 NZ LYS A 13 19.395 -3.265 -0.042 1.00 52.52 N ATOM 0 H LYS A 13 14.361 -6.168 -2.812 1.00 42.03 H new ATOM 0 HA LYS A 13 14.439 -6.987 -0.102 1.00 73.23 H new ATOM 0 HB2 LYS A 13 15.329 -4.414 -1.461 1.00 74.02 H new ATOM 0 HB3 LYS A 13 15.654 -4.785 0.220 1.00 74.02 H new ATOM 0 HG2 LYS A 13 17.017 -6.748 -0.453 1.00 22.24 H new ATOM 0 HG3 LYS A 13 16.655 -6.441 -2.140 1.00 22.24 H new ATOM 0 HD2 LYS A 13 18.903 -5.548 -1.522 1.00 34.20 H new ATOM 0 HD3 LYS A 13 17.833 -4.266 -2.055 1.00 34.20 H new ATOM 0 HE2 LYS A 13 17.361 -3.685 0.347 1.00 33.14 H new ATOM 0 HE3 LYS A 13 18.472 -4.940 0.857 1.00 33.14 H new ATOM 0 HZ1 LYS A 13 19.524 -2.781 0.869 1.00 52.52 H new ATOM 0 HZ2 LYS A 13 20.265 -3.779 -0.287 1.00 52.52 H new ATOM 0 HZ3 LYS A 13 19.188 -2.563 -0.781 1.00 52.52 H new ATOM 233 N LEU A 14 12.599 -4.289 -0.844 1.00 11.22 N ATOM 234 CA LEU A 14 11.563 -3.332 -0.400 1.00 11.04 C ATOM 235 C LEU A 14 10.236 -4.067 -0.078 1.00 52.33 C ATOM 236 O LEU A 14 9.533 -3.711 0.875 1.00 41.31 O ATOM 237 CB LEU A 14 11.400 -2.232 -1.508 1.00 62.13 C ATOM 238 CG LEU A 14 10.743 -0.856 -1.104 1.00 12.24 C ATOM 239 CD1 LEU A 14 11.224 0.281 -2.042 1.00 21.02 C ATOM 240 CD2 LEU A 14 9.199 -0.918 -1.102 1.00 4.30 C ATOM 0 H LEU A 14 12.927 -4.113 -1.794 1.00 11.22 H new ATOM 0 HA LEU A 14 11.864 -2.844 0.527 1.00 11.04 H new ATOM 0 HB2 LEU A 14 12.389 -2.021 -1.916 1.00 62.13 H new ATOM 0 HB3 LEU A 14 10.806 -2.659 -2.316 1.00 62.13 H new ATOM 0 HG LEU A 14 11.066 -0.644 -0.085 1.00 12.24 H new ATOM 0 HD11 LEU A 14 10.758 1.220 -1.744 1.00 21.02 H new ATOM 0 HD12 LEU A 14 12.308 0.376 -1.973 1.00 21.02 H new ATOM 0 HD13 LEU A 14 10.945 0.047 -3.070 1.00 21.02 H new ATOM 0 HD21 LEU A 14 8.796 0.054 -0.817 1.00 4.30 H new ATOM 0 HD22 LEU A 14 8.844 -1.180 -2.099 1.00 4.30 H new ATOM 0 HD23 LEU A 14 8.866 -1.672 -0.388 1.00 4.30 H new ATOM 252 N ILE A 15 9.954 -5.128 -0.859 1.00 61.11 N ATOM 253 CA ILE A 15 8.747 -5.970 -0.716 1.00 41.32 C ATOM 254 C ILE A 15 8.791 -6.814 0.585 1.00 15.21 C ATOM 255 O ILE A 15 7.839 -6.795 1.376 1.00 74.32 O ATOM 256 CB ILE A 15 8.582 -6.886 -1.989 1.00 41.52 C ATOM 257 CG1 ILE A 15 8.380 -6.002 -3.265 1.00 62.41 C ATOM 258 CG2 ILE A 15 7.423 -7.894 -1.831 1.00 11.31 C ATOM 259 CD1 ILE A 15 8.349 -6.770 -4.573 1.00 33.32 C ATOM 0 H ILE A 15 10.566 -5.430 -1.618 1.00 61.11 H new ATOM 0 HA ILE A 15 7.877 -5.317 -0.639 1.00 41.32 H new ATOM 0 HB ILE A 15 9.497 -7.468 -2.100 1.00 41.52 H new ATOM 0 HG12 ILE A 15 7.446 -5.449 -3.163 1.00 62.41 H new ATOM 0 HG13 ILE A 15 9.183 -5.266 -3.311 1.00 62.41 H new ATOM 0 HG21 ILE A 15 7.346 -8.504 -2.731 1.00 11.31 H new ATOM 0 HG22 ILE A 15 7.615 -8.537 -0.972 1.00 11.31 H new ATOM 0 HG23 ILE A 15 6.489 -7.353 -1.678 1.00 11.31 H new ATOM 0 HD11 ILE A 15 8.205 -6.075 -5.400 1.00 33.32 H new ATOM 0 HD12 ILE A 15 9.291 -7.301 -4.705 1.00 33.32 H new ATOM 0 HD13 ILE A 15 7.528 -7.487 -4.555 1.00 33.32 H new ATOM 271 N GLU A 16 9.913 -7.533 0.790 1.00 13.42 N ATOM 272 CA GLU A 16 10.118 -8.389 1.986 1.00 21.41 C ATOM 273 C GLU A 16 10.189 -7.551 3.277 1.00 55.12 C ATOM 274 O GLU A 16 9.605 -7.936 4.293 1.00 23.14 O ATOM 275 CB GLU A 16 11.388 -9.264 1.826 1.00 14.32 C ATOM 276 CG GLU A 16 11.241 -10.371 0.767 1.00 21.12 C ATOM 277 CD GLU A 16 12.534 -11.163 0.529 1.00 72.54 C ATOM 278 OE1 GLU A 16 12.918 -11.975 1.406 1.00 31.34 O ATOM 279 OE2 GLU A 16 13.164 -10.998 -0.542 1.00 61.12 O ATOM 0 H GLU A 16 10.699 -7.540 0.140 1.00 13.42 H new ATOM 0 HA GLU A 16 9.255 -9.049 2.070 1.00 21.41 H new ATOM 0 HB2 GLU A 16 12.229 -8.624 1.557 1.00 14.32 H new ATOM 0 HB3 GLU A 16 11.629 -9.720 2.786 1.00 14.32 H new ATOM 0 HG2 GLU A 16 10.455 -11.059 1.078 1.00 21.12 H new ATOM 0 HG3 GLU A 16 10.920 -9.923 -0.173 1.00 21.12 H new ATOM 286 N GLU A 17 10.882 -6.398 3.209 1.00 53.41 N ATOM 287 CA GLU A 17 11.034 -5.478 4.356 1.00 55.11 C ATOM 288 C GLU A 17 9.672 -4.925 4.807 1.00 65.32 C ATOM 289 O GLU A 17 9.380 -4.862 6.015 1.00 72.11 O ATOM 290 CB GLU A 17 11.990 -4.304 4.010 1.00 64.32 C ATOM 291 CG GLU A 17 13.468 -4.694 3.793 1.00 11.43 C ATOM 292 CD GLU A 17 14.053 -5.586 4.901 1.00 30.41 C ATOM 293 OE1 GLU A 17 14.195 -5.119 6.058 1.00 5.12 O ATOM 294 OE2 GLU A 17 14.367 -6.768 4.626 1.00 24.42 O ATOM 0 H GLU A 17 11.351 -6.078 2.362 1.00 53.41 H new ATOM 0 HA GLU A 17 11.467 -6.051 5.176 1.00 55.11 H new ATOM 0 HB2 GLU A 17 11.625 -3.815 3.107 1.00 64.32 H new ATOM 0 HB3 GLU A 17 11.940 -3.569 4.813 1.00 64.32 H new ATOM 0 HG2 GLU A 17 13.559 -5.212 2.839 1.00 11.43 H new ATOM 0 HG3 GLU A 17 14.065 -3.785 3.720 1.00 11.43 H new ATOM 301 N ALA A 18 8.861 -4.521 3.817 1.00 43.44 N ATOM 302 CA ALA A 18 7.506 -4.013 4.047 1.00 40.11 C ATOM 303 C ALA A 18 6.584 -5.100 4.645 1.00 63.45 C ATOM 304 O ALA A 18 5.885 -4.855 5.642 1.00 11.50 O ATOM 305 CB ALA A 18 6.934 -3.472 2.729 1.00 70.34 C ATOM 0 H ALA A 18 9.130 -4.539 2.833 1.00 43.44 H new ATOM 0 HA ALA A 18 7.557 -3.204 4.776 1.00 40.11 H new ATOM 0 HB1 ALA A 18 5.926 -3.094 2.898 1.00 70.34 H new ATOM 0 HB2 ALA A 18 7.568 -2.665 2.361 1.00 70.34 H new ATOM 0 HB3 ALA A 18 6.902 -4.273 1.990 1.00 70.34 H new ATOM 311 N ARG A 19 6.606 -6.306 4.032 1.00 21.40 N ATOM 312 CA ARG A 19 5.747 -7.435 4.452 1.00 51.44 C ATOM 313 C ARG A 19 6.038 -7.864 5.901 1.00 33.03 C ATOM 314 O ARG A 19 5.101 -8.096 6.659 1.00 44.12 O ATOM 315 CB ARG A 19 5.874 -8.650 3.492 1.00 42.12 C ATOM 316 CG ARG A 19 5.065 -9.893 3.943 1.00 44.20 C ATOM 317 CD ARG A 19 5.097 -11.047 2.931 1.00 73.25 C ATOM 318 NE ARG A 19 6.461 -11.356 2.453 1.00 73.23 N ATOM 319 CZ ARG A 19 7.353 -12.131 3.080 1.00 40.25 C ATOM 320 NH1 ARG A 19 7.065 -12.713 4.240 1.00 41.25 N ATOM 321 NH2 ARG A 19 8.545 -12.318 2.535 1.00 23.43 N ATOM 0 H ARG A 19 7.213 -6.522 3.241 1.00 21.40 H new ATOM 0 HA ARG A 19 4.719 -7.076 4.404 1.00 51.44 H new ATOM 0 HB2 ARG A 19 5.540 -8.352 2.498 1.00 42.12 H new ATOM 0 HB3 ARG A 19 6.925 -8.924 3.406 1.00 42.12 H new ATOM 0 HG2 ARG A 19 5.458 -10.246 4.896 1.00 44.20 H new ATOM 0 HG3 ARG A 19 4.029 -9.600 4.114 1.00 44.20 H new ATOM 0 HD2 ARG A 19 4.668 -11.938 3.390 1.00 73.25 H new ATOM 0 HD3 ARG A 19 4.468 -10.793 2.078 1.00 73.25 H new ATOM 0 HE ARG A 19 6.748 -10.941 1.566 1.00 73.23 H new ATOM 0 HH11 ARG A 19 6.150 -12.572 4.668 1.00 41.25 H new ATOM 0 HH12 ARG A 19 7.759 -13.300 4.702 1.00 41.25 H new ATOM 0 HH21 ARG A 19 8.775 -11.873 1.646 1.00 23.43 H new ATOM 0 HH22 ARG A 19 9.233 -12.907 3.004 1.00 23.43 H new ATOM 335 N LYS A 20 7.338 -7.923 6.276 1.00 53.11 N ATOM 336 CA LYS A 20 7.759 -8.286 7.654 1.00 11.44 C ATOM 337 C LYS A 20 7.130 -7.341 8.685 1.00 32.42 C ATOM 338 O LYS A 20 6.678 -7.782 9.736 1.00 75.34 O ATOM 339 CB LYS A 20 9.305 -8.286 7.808 1.00 64.30 C ATOM 340 CG LYS A 20 10.023 -9.440 7.077 1.00 70.22 C ATOM 341 CD LYS A 20 11.555 -9.434 7.297 1.00 1.51 C ATOM 342 CE LYS A 20 12.223 -8.129 6.839 1.00 53.54 C ATOM 343 NZ LYS A 20 13.700 -8.148 7.041 1.00 74.10 N ATOM 0 H LYS A 20 8.114 -7.724 5.645 1.00 53.11 H new ATOM 0 HA LYS A 20 7.404 -9.300 7.838 1.00 11.44 H new ATOM 0 HB2 LYS A 20 9.694 -7.339 7.435 1.00 64.30 H new ATOM 0 HB3 LYS A 20 9.551 -8.336 8.869 1.00 64.30 H new ATOM 0 HG2 LYS A 20 9.616 -10.390 7.422 1.00 70.22 H new ATOM 0 HG3 LYS A 20 9.814 -9.372 6.009 1.00 70.22 H new ATOM 0 HD2 LYS A 20 11.765 -9.591 8.355 1.00 1.51 H new ATOM 0 HD3 LYS A 20 11.997 -10.271 6.757 1.00 1.51 H new ATOM 0 HE2 LYS A 20 12.005 -7.963 5.784 1.00 53.54 H new ATOM 0 HE3 LYS A 20 11.794 -7.291 7.389 1.00 53.54 H new ATOM 0 HZ1 LYS A 20 13.943 -7.583 7.880 1.00 74.10 H new ATOM 0 HZ2 LYS A 20 14.019 -9.128 7.180 1.00 74.10 H new ATOM 0 HZ3 LYS A 20 14.170 -7.746 6.205 1.00 74.10 H new ATOM 357 N MET A 21 7.076 -6.048 8.339 1.00 70.05 N ATOM 358 CA MET A 21 6.474 -5.012 9.195 1.00 40.00 C ATOM 359 C MET A 21 4.954 -5.163 9.300 1.00 14.43 C ATOM 360 O MET A 21 4.376 -4.867 10.349 1.00 63.34 O ATOM 361 CB MET A 21 6.852 -3.600 8.683 1.00 42.51 C ATOM 362 CG MET A 21 8.270 -3.172 9.066 1.00 2.24 C ATOM 363 SD MET A 21 8.572 -3.253 10.851 1.00 72.10 S ATOM 364 CE MET A 21 7.214 -2.279 11.509 1.00 13.24 C ATOM 0 H MET A 21 7.447 -5.689 7.459 1.00 70.05 H new ATOM 0 HA MET A 21 6.879 -5.142 10.199 1.00 40.00 H new ATOM 0 HB2 MET A 21 6.755 -3.578 7.598 1.00 42.51 H new ATOM 0 HB3 MET A 21 6.142 -2.875 9.082 1.00 42.51 H new ATOM 0 HG2 MET A 21 8.988 -3.810 8.552 1.00 2.24 H new ATOM 0 HG3 MET A 21 8.443 -2.153 8.719 1.00 2.24 H new ATOM 0 HE1 MET A 21 7.386 -2.084 12.568 1.00 13.24 H new ATOM 0 HE2 MET A 21 7.151 -1.333 10.971 1.00 13.24 H new ATOM 0 HE3 MET A 21 6.280 -2.828 11.388 1.00 13.24 H new ATOM 374 N ALA A 22 4.318 -5.606 8.210 1.00 42.13 N ATOM 375 CA ALA A 22 2.881 -5.907 8.202 1.00 44.41 C ATOM 376 C ALA A 22 2.572 -7.155 9.061 1.00 53.22 C ATOM 377 O ALA A 22 1.535 -7.218 9.714 1.00 2.02 O ATOM 378 CB ALA A 22 2.398 -6.090 6.761 1.00 31.10 C ATOM 0 H ALA A 22 4.780 -5.765 7.315 1.00 42.13 H new ATOM 0 HA ALA A 22 2.343 -5.069 8.644 1.00 44.41 H new ATOM 0 HB1 ALA A 22 1.331 -6.313 6.760 1.00 31.10 H new ATOM 0 HB2 ALA A 22 2.577 -5.174 6.198 1.00 31.10 H new ATOM 0 HB3 ALA A 22 2.941 -6.913 6.297 1.00 31.10 H new ATOM 384 N GLU A 23 3.503 -8.129 9.060 1.00 35.02 N ATOM 385 CA GLU A 23 3.400 -9.363 9.869 1.00 15.24 C ATOM 386 C GLU A 23 3.597 -9.044 11.374 1.00 30.22 C ATOM 387 O GLU A 23 2.937 -9.638 12.233 1.00 64.12 O ATOM 388 CB GLU A 23 4.444 -10.408 9.373 1.00 10.13 C ATOM 389 CG GLU A 23 4.247 -10.862 7.901 1.00 44.34 C ATOM 390 CD GLU A 23 5.411 -11.700 7.319 1.00 51.43 C ATOM 391 OE1 GLU A 23 6.587 -11.447 7.668 1.00 43.20 O ATOM 392 OE2 GLU A 23 5.157 -12.604 6.488 1.00 3.00 O ATOM 0 H GLU A 23 4.352 -8.083 8.496 1.00 35.02 H new ATOM 0 HA GLU A 23 2.403 -9.788 9.748 1.00 15.24 H new ATOM 0 HB2 GLU A 23 5.443 -9.985 9.479 1.00 10.13 H new ATOM 0 HB3 GLU A 23 4.399 -11.284 10.020 1.00 10.13 H new ATOM 0 HG2 GLU A 23 3.329 -11.446 7.835 1.00 44.34 H new ATOM 0 HG3 GLU A 23 4.107 -9.978 7.279 1.00 44.34 H new ATOM 399 N LYS A 24 4.499 -8.080 11.669 1.00 63.42 N ATOM 400 CA LYS A 24 4.738 -7.572 13.044 1.00 22.24 C ATOM 401 C LYS A 24 3.498 -6.806 13.553 1.00 20.13 C ATOM 402 O LYS A 24 3.066 -6.975 14.698 1.00 40.32 O ATOM 403 CB LYS A 24 5.976 -6.628 13.079 1.00 11.13 C ATOM 404 CG LYS A 24 7.328 -7.303 12.759 1.00 33.41 C ATOM 405 CD LYS A 24 8.491 -6.284 12.672 1.00 71.41 C ATOM 406 CE LYS A 24 9.826 -6.932 12.265 1.00 60.54 C ATOM 407 NZ LYS A 24 10.290 -7.950 13.245 1.00 33.10 N ATOM 0 H LYS A 24 5.082 -7.631 10.963 1.00 63.42 H new ATOM 0 HA LYS A 24 4.929 -8.429 13.690 1.00 22.24 H new ATOM 0 HB2 LYS A 24 5.815 -5.818 12.367 1.00 11.13 H new ATOM 0 HB3 LYS A 24 6.040 -6.175 14.068 1.00 11.13 H new ATOM 0 HG2 LYS A 24 7.553 -8.042 13.528 1.00 33.41 H new ATOM 0 HG3 LYS A 24 7.248 -7.840 11.814 1.00 33.41 H new ATOM 0 HD2 LYS A 24 8.235 -5.508 11.950 1.00 71.41 H new ATOM 0 HD3 LYS A 24 8.611 -5.794 13.638 1.00 71.41 H new ATOM 0 HE2 LYS A 24 9.715 -7.399 11.286 1.00 60.54 H new ATOM 0 HE3 LYS A 24 10.586 -6.157 12.164 1.00 60.54 H new ATOM 0 HZ1 LYS A 24 11.209 -8.331 12.941 1.00 33.10 H new ATOM 0 HZ2 LYS A 24 10.390 -7.510 14.182 1.00 33.10 H new ATOM 0 HZ3 LYS A 24 9.596 -8.722 13.298 1.00 33.10 H new ATOM 421 N ALA A 25 2.931 -5.972 12.666 1.00 43.21 N ATOM 422 CA ALA A 25 1.787 -5.096 12.981 1.00 60.03 C ATOM 423 C ALA A 25 0.441 -5.824 12.783 1.00 74.15 C ATOM 424 O ALA A 25 -0.615 -5.219 12.976 1.00 21.13 O ATOM 425 CB ALA A 25 1.866 -3.820 12.121 1.00 72.22 C ATOM 0 H ALA A 25 3.255 -5.885 11.703 1.00 43.21 H new ATOM 0 HA ALA A 25 1.840 -4.818 14.034 1.00 60.03 H new ATOM 0 HB1 ALA A 25 1.021 -3.172 12.353 1.00 72.22 H new ATOM 0 HB2 ALA A 25 2.796 -3.294 12.335 1.00 72.22 H new ATOM 0 HB3 ALA A 25 1.837 -4.090 11.065 1.00 72.22 H new ATOM 431 N ASN A 26 0.502 -7.117 12.362 1.00 3.34 N ATOM 432 CA ASN A 26 -0.680 -8.015 12.192 1.00 55.52 C ATOM 433 C ASN A 26 -1.591 -7.556 11.007 1.00 45.31 C ATOM 434 O ASN A 26 -2.672 -8.113 10.780 1.00 30.34 O ATOM 435 CB ASN A 26 -1.465 -8.133 13.543 1.00 42.43 C ATOM 436 CG ASN A 26 -2.583 -9.190 13.591 1.00 30.13 C ATOM 437 OD1 ASN A 26 -3.608 -8.991 14.245 1.00 71.12 O ATOM 438 ND2 ASN A 26 -2.393 -10.328 12.939 1.00 33.02 N ATOM 0 H ASN A 26 1.384 -7.573 12.128 1.00 3.34 H new ATOM 0 HA ASN A 26 -0.324 -9.011 11.927 1.00 55.52 H new ATOM 0 HB2 ASN A 26 -0.750 -8.354 14.336 1.00 42.43 H new ATOM 0 HB3 ASN A 26 -1.903 -7.161 13.771 1.00 42.43 H new ATOM 0 HD21 ASN A 26 -3.103 -11.060 12.973 1.00 33.02 H new ATOM 0 HD22 ASN A 26 -1.537 -10.472 12.403 1.00 33.02 H new ATOM 445 N LEU A 27 -1.105 -6.573 10.223 1.00 14.11 N ATOM 446 CA LEU A 27 -1.845 -5.982 9.089 1.00 74.44 C ATOM 447 C LEU A 27 -1.661 -6.828 7.815 1.00 12.41 C ATOM 448 O LEU A 27 -0.612 -7.452 7.623 1.00 74.15 O ATOM 449 CB LEU A 27 -1.353 -4.530 8.830 1.00 21.34 C ATOM 450 CG LEU A 27 -1.375 -3.571 10.063 1.00 73.30 C ATOM 451 CD1 LEU A 27 -0.914 -2.147 9.681 1.00 70.14 C ATOM 452 CD2 LEU A 27 -2.758 -3.560 10.754 1.00 2.41 C ATOM 0 H LEU A 27 -0.181 -6.164 10.360 1.00 14.11 H new ATOM 0 HA LEU A 27 -2.904 -5.965 9.345 1.00 74.44 H new ATOM 0 HB2 LEU A 27 -0.333 -4.576 8.448 1.00 21.34 H new ATOM 0 HB3 LEU A 27 -1.969 -4.093 8.044 1.00 21.34 H new ATOM 0 HG LEU A 27 -0.659 -3.958 10.788 1.00 73.30 H new ATOM 0 HD11 LEU A 27 -0.942 -1.507 10.563 1.00 70.14 H new ATOM 0 HD12 LEU A 27 0.104 -2.186 9.293 1.00 70.14 H new ATOM 0 HD13 LEU A 27 -1.578 -1.742 8.918 1.00 70.14 H new ATOM 0 HD21 LEU A 27 -2.733 -2.881 11.607 1.00 2.41 H new ATOM 0 HD22 LEU A 27 -3.516 -3.225 10.046 1.00 2.41 H new ATOM 0 HD23 LEU A 27 -3.001 -4.566 11.097 1.00 2.41 H new ATOM 464 N GLU A 28 -2.678 -6.822 6.943 1.00 61.14 N ATOM 465 CA GLU A 28 -2.666 -7.570 5.672 1.00 43.23 C ATOM 466 C GLU A 28 -1.976 -6.747 4.566 1.00 65.14 C ATOM 467 O GLU A 28 -2.404 -5.637 4.263 1.00 22.33 O ATOM 468 CB GLU A 28 -4.124 -7.932 5.264 1.00 51.33 C ATOM 469 CG GLU A 28 -4.805 -8.961 6.188 1.00 53.20 C ATOM 470 CD GLU A 28 -4.094 -10.327 6.191 1.00 52.22 C ATOM 471 OE1 GLU A 28 -4.232 -11.079 5.199 1.00 0.15 O ATOM 472 OE2 GLU A 28 -3.381 -10.649 7.166 1.00 62.13 O ATOM 0 H GLU A 28 -3.538 -6.296 7.097 1.00 61.14 H new ATOM 0 HA GLU A 28 -2.099 -8.491 5.806 1.00 43.23 H new ATOM 0 HB2 GLU A 28 -4.722 -7.021 5.251 1.00 51.33 H new ATOM 0 HB3 GLU A 28 -4.118 -8.323 4.247 1.00 51.33 H new ATOM 0 HG2 GLU A 28 -4.830 -8.568 7.204 1.00 53.20 H new ATOM 0 HG3 GLU A 28 -5.840 -9.096 5.873 1.00 53.20 H new ATOM 479 N LEU A 29 -0.920 -7.318 3.966 1.00 72.44 N ATOM 480 CA LEU A 29 -0.155 -6.678 2.882 1.00 42.55 C ATOM 481 C LEU A 29 -0.350 -7.484 1.597 1.00 42.34 C ATOM 482 O LEU A 29 -0.160 -8.699 1.602 1.00 31.21 O ATOM 483 CB LEU A 29 1.353 -6.567 3.260 1.00 13.43 C ATOM 484 CG LEU A 29 2.313 -5.921 2.178 1.00 44.12 C ATOM 485 CD1 LEU A 29 3.357 -4.989 2.824 1.00 54.25 C ATOM 486 CD2 LEU A 29 3.023 -6.999 1.313 1.00 50.14 C ATOM 0 H LEU A 29 -0.570 -8.242 4.220 1.00 72.44 H new ATOM 0 HA LEU A 29 -0.521 -5.663 2.725 1.00 42.55 H new ATOM 0 HB2 LEU A 29 1.432 -5.983 4.177 1.00 13.43 H new ATOM 0 HB3 LEU A 29 1.721 -7.567 3.487 1.00 13.43 H new ATOM 0 HG LEU A 29 1.678 -5.324 1.523 1.00 44.12 H new ATOM 0 HD11 LEU A 29 3.996 -4.566 2.049 1.00 54.25 H new ATOM 0 HD12 LEU A 29 2.848 -4.184 3.354 1.00 54.25 H new ATOM 0 HD13 LEU A 29 3.967 -5.557 3.527 1.00 54.25 H new ATOM 0 HD21 LEU A 29 3.671 -6.512 0.584 1.00 50.14 H new ATOM 0 HD22 LEU A 29 3.621 -7.645 1.956 1.00 50.14 H new ATOM 0 HD23 LEU A 29 2.276 -7.597 0.791 1.00 50.14 H new ATOM 498 N ARG A 30 -0.728 -6.807 0.503 1.00 43.40 N ATOM 499 CA ARG A 30 -0.899 -7.444 -0.817 1.00 34.52 C ATOM 500 C ARG A 30 0.159 -6.851 -1.768 1.00 0.11 C ATOM 501 O ARG A 30 0.297 -5.619 -1.844 1.00 65.53 O ATOM 502 CB ARG A 30 -2.326 -7.197 -1.402 1.00 55.14 C ATOM 503 CG ARG A 30 -3.537 -7.549 -0.492 1.00 60.31 C ATOM 504 CD ARG A 30 -3.704 -9.056 -0.179 1.00 54.41 C ATOM 505 NE ARG A 30 -2.807 -9.524 0.901 1.00 33.53 N ATOM 506 CZ ARG A 30 -3.197 -9.908 2.133 1.00 14.41 C ATOM 507 NH1 ARG A 30 -4.477 -9.920 2.479 1.00 64.21 N ATOM 508 NH2 ARG A 30 -2.283 -10.256 3.034 1.00 3.44 N ATOM 0 H ARG A 30 -0.924 -5.806 0.505 1.00 43.40 H new ATOM 0 HA ARG A 30 -0.776 -8.522 -0.710 1.00 34.52 H new ATOM 0 HB2 ARG A 30 -2.402 -6.144 -1.674 1.00 55.14 H new ATOM 0 HB3 ARG A 30 -2.418 -7.772 -2.324 1.00 55.14 H new ATOM 0 HG2 ARG A 30 -3.435 -7.007 0.448 1.00 60.31 H new ATOM 0 HG3 ARG A 30 -4.448 -7.189 -0.970 1.00 60.31 H new ATOM 0 HD2 ARG A 30 -4.738 -9.250 0.105 1.00 54.41 H new ATOM 0 HD3 ARG A 30 -3.508 -9.633 -1.083 1.00 54.41 H new ATOM 0 HE ARG A 30 -1.808 -9.559 0.696 1.00 33.53 H new ATOM 0 HH11 ARG A 30 -5.190 -9.635 1.807 1.00 64.21 H new ATOM 0 HH12 ARG A 30 -4.749 -10.214 3.417 1.00 64.21 H new ATOM 0 HH21 ARG A 30 -1.293 -10.232 2.791 1.00 3.44 H new ATOM 0 HH22 ARG A 30 -2.572 -10.547 3.968 1.00 3.44 H new ATOM 522 N THR A 31 0.902 -7.717 -2.472 1.00 21.11 N ATOM 523 CA THR A 31 1.890 -7.291 -3.483 1.00 30.33 C ATOM 524 C THR A 31 1.165 -6.995 -4.797 1.00 62.24 C ATOM 525 O THR A 31 0.294 -7.765 -5.208 1.00 61.14 O ATOM 526 CB THR A 31 2.979 -8.387 -3.706 1.00 34.10 C ATOM 527 OG1 THR A 31 2.350 -9.647 -3.990 1.00 61.25 O ATOM 528 CG2 THR A 31 3.883 -8.533 -2.479 1.00 53.31 C ATOM 0 H THR A 31 0.838 -8.729 -2.360 1.00 21.11 H new ATOM 0 HA THR A 31 2.392 -6.392 -3.125 1.00 30.33 H new ATOM 0 HB THR A 31 3.596 -8.081 -4.551 1.00 34.10 H new ATOM 0 HG1 THR A 31 3.037 -10.331 -4.131 1.00 61.25 H new ATOM 0 HG21 THR A 31 4.630 -9.304 -2.667 1.00 53.31 H new ATOM 0 HG22 THR A 31 4.382 -7.585 -2.280 1.00 53.31 H new ATOM 0 HG23 THR A 31 3.281 -8.814 -1.615 1.00 53.31 H new ATOM 536 N VAL A 32 1.511 -5.868 -5.430 1.00 10.43 N ATOM 537 CA VAL A 32 0.832 -5.364 -6.628 1.00 14.23 C ATOM 538 C VAL A 32 1.808 -5.346 -7.824 1.00 31.04 C ATOM 539 O VAL A 32 2.907 -4.776 -7.727 1.00 23.12 O ATOM 540 CB VAL A 32 0.275 -3.920 -6.357 1.00 52.50 C ATOM 541 CG1 VAL A 32 -0.532 -3.389 -7.553 1.00 31.15 C ATOM 542 CG2 VAL A 32 -0.555 -3.869 -5.047 1.00 33.55 C ATOM 0 H VAL A 32 2.280 -5.274 -5.120 1.00 10.43 H new ATOM 0 HA VAL A 32 -0.001 -6.024 -6.870 1.00 14.23 H new ATOM 0 HB VAL A 32 1.134 -3.261 -6.228 1.00 52.50 H new ATOM 0 HG11 VAL A 32 -0.901 -2.388 -7.328 1.00 31.15 H new ATOM 0 HG12 VAL A 32 0.107 -3.350 -8.435 1.00 31.15 H new ATOM 0 HG13 VAL A 32 -1.376 -4.052 -7.746 1.00 31.15 H new ATOM 0 HG21 VAL A 32 -0.925 -2.856 -4.890 1.00 33.55 H new ATOM 0 HG22 VAL A 32 -1.398 -4.556 -5.124 1.00 33.55 H new ATOM 0 HG23 VAL A 32 0.074 -4.160 -4.206 1.00 33.55 H new ATOM 552 N LYS A 33 1.405 -5.994 -8.932 1.00 21.41 N ATOM 553 CA LYS A 33 2.191 -6.038 -10.182 1.00 71.52 C ATOM 554 C LYS A 33 1.890 -4.801 -11.056 1.00 34.23 C ATOM 555 O LYS A 33 2.807 -4.108 -11.503 1.00 45.53 O ATOM 556 CB LYS A 33 1.892 -7.361 -10.965 1.00 14.03 C ATOM 557 CG LYS A 33 2.445 -8.679 -10.328 1.00 22.14 C ATOM 558 CD LYS A 33 3.882 -9.072 -10.797 1.00 54.40 C ATOM 559 CE LYS A 33 4.984 -8.094 -10.357 1.00 62.11 C ATOM 560 NZ LYS A 33 6.316 -8.458 -10.913 1.00 41.02 N ATOM 0 H LYS A 33 0.523 -6.504 -8.987 1.00 21.41 H new ATOM 0 HA LYS A 33 3.251 -6.022 -9.928 1.00 71.52 H new ATOM 0 HB2 LYS A 33 0.812 -7.459 -11.073 1.00 14.03 H new ATOM 0 HB3 LYS A 33 2.305 -7.266 -11.969 1.00 14.03 H new ATOM 0 HG2 LYS A 33 2.448 -8.570 -9.243 1.00 22.14 H new ATOM 0 HG3 LYS A 33 1.763 -9.496 -10.565 1.00 22.14 H new ATOM 0 HD2 LYS A 33 4.118 -10.064 -10.411 1.00 54.40 H new ATOM 0 HD3 LYS A 33 3.889 -9.143 -11.885 1.00 54.40 H new ATOM 0 HE2 LYS A 33 4.722 -7.086 -10.678 1.00 62.11 H new ATOM 0 HE3 LYS A 33 5.039 -8.078 -9.269 1.00 62.11 H new ATOM 0 HZ1 LYS A 33 7.027 -7.771 -10.590 1.00 41.02 H new ATOM 0 HZ2 LYS A 33 6.580 -9.409 -10.586 1.00 41.02 H new ATOM 0 HZ3 LYS A 33 6.273 -8.448 -11.952 1.00 41.02 H new ATOM 574 N THR A 34 0.593 -4.538 -11.285 1.00 4.52 N ATOM 575 CA THR A 34 0.115 -3.450 -12.167 1.00 3.12 C ATOM 576 C THR A 34 -1.046 -2.687 -11.514 1.00 74.42 C ATOM 577 O THR A 34 -1.548 -3.086 -10.459 1.00 4.23 O ATOM 578 CB THR A 34 -0.363 -4.014 -13.553 1.00 51.33 C ATOM 579 OG1 THR A 34 -1.342 -5.045 -13.346 1.00 13.44 O ATOM 580 CG2 THR A 34 0.796 -4.568 -14.398 1.00 23.34 C ATOM 0 H THR A 34 -0.163 -5.076 -10.862 1.00 4.52 H new ATOM 0 HA THR A 34 0.953 -2.771 -12.325 1.00 3.12 H new ATOM 0 HB THR A 34 -0.799 -3.182 -14.105 1.00 51.33 H new ATOM 0 HG1 THR A 34 -1.639 -5.393 -14.213 1.00 13.44 H new ATOM 0 HG21 THR A 34 0.409 -4.944 -15.345 1.00 23.34 H new ATOM 0 HG22 THR A 34 1.517 -3.774 -14.591 1.00 23.34 H new ATOM 0 HG23 THR A 34 1.285 -5.379 -13.858 1.00 23.34 H new ATOM 588 N GLU A 35 -1.477 -1.594 -12.171 1.00 34.44 N ATOM 589 CA GLU A 35 -2.631 -0.787 -11.729 1.00 73.41 C ATOM 590 C GLU A 35 -3.931 -1.615 -11.738 1.00 52.22 C ATOM 591 O GLU A 35 -4.812 -1.387 -10.914 1.00 33.45 O ATOM 592 CB GLU A 35 -2.800 0.503 -12.589 1.00 31.43 C ATOM 593 CG GLU A 35 -3.226 0.325 -14.062 1.00 4.21 C ATOM 594 CD GLU A 35 -2.143 -0.305 -14.947 1.00 31.31 C ATOM 595 OE1 GLU A 35 -1.251 0.428 -15.426 1.00 60.20 O ATOM 596 OE2 GLU A 35 -2.166 -1.537 -15.151 1.00 34.32 O ATOM 0 H GLU A 35 -1.036 -1.245 -13.022 1.00 34.44 H new ATOM 0 HA GLU A 35 -2.428 -0.480 -10.703 1.00 73.41 H new ATOM 0 HB2 GLU A 35 -3.537 1.139 -12.100 1.00 31.43 H new ATOM 0 HB3 GLU A 35 -1.853 1.043 -12.575 1.00 31.43 H new ATOM 0 HG2 GLU A 35 -4.120 -0.297 -14.099 1.00 4.21 H new ATOM 0 HG3 GLU A 35 -3.497 1.298 -14.472 1.00 4.21 H new ATOM 603 N ASP A 36 -4.014 -2.589 -12.664 1.00 45.12 N ATOM 604 CA ASP A 36 -5.164 -3.507 -12.781 1.00 54.33 C ATOM 605 C ASP A 36 -5.263 -4.430 -11.548 1.00 21.54 C ATOM 606 O ASP A 36 -6.366 -4.745 -11.076 1.00 43.20 O ATOM 607 CB ASP A 36 -5.043 -4.332 -14.084 1.00 30.12 C ATOM 608 CG ASP A 36 -6.269 -5.215 -14.357 1.00 63.00 C ATOM 609 OD1 ASP A 36 -7.370 -4.664 -14.566 1.00 20.00 O ATOM 610 OD2 ASP A 36 -6.146 -6.457 -14.376 1.00 13.21 O ATOM 0 H ASP A 36 -3.283 -2.762 -13.354 1.00 45.12 H new ATOM 0 HA ASP A 36 -6.080 -2.918 -12.822 1.00 54.33 H new ATOM 0 HB2 ASP A 36 -4.898 -3.653 -14.924 1.00 30.12 H new ATOM 0 HB3 ASP A 36 -4.155 -4.962 -14.026 1.00 30.12 H new ATOM 615 N GLU A 37 -4.090 -4.835 -11.025 1.00 21.00 N ATOM 616 CA GLU A 37 -3.990 -5.583 -9.759 1.00 54.55 C ATOM 617 C GLU A 37 -4.429 -4.691 -8.578 1.00 64.31 C ATOM 618 O GLU A 37 -5.202 -5.121 -7.722 1.00 65.23 O ATOM 619 CB GLU A 37 -2.537 -6.075 -9.539 1.00 31.01 C ATOM 620 CG GLU A 37 -1.985 -6.982 -10.657 1.00 72.12 C ATOM 621 CD GLU A 37 -2.641 -8.375 -10.703 1.00 75.14 C ATOM 622 OE1 GLU A 37 -2.184 -9.280 -9.969 1.00 4.31 O ATOM 623 OE2 GLU A 37 -3.615 -8.576 -11.462 1.00 34.33 O ATOM 0 H GLU A 37 -3.189 -4.653 -11.467 1.00 21.00 H new ATOM 0 HA GLU A 37 -4.650 -6.449 -9.813 1.00 54.55 H new ATOM 0 HB2 GLU A 37 -1.885 -5.207 -9.440 1.00 31.01 H new ATOM 0 HB3 GLU A 37 -2.491 -6.617 -8.595 1.00 31.01 H new ATOM 0 HG2 GLU A 37 -2.131 -6.489 -11.618 1.00 72.12 H new ATOM 0 HG3 GLU A 37 -0.910 -7.100 -10.520 1.00 72.12 H new ATOM 630 N LEU A 38 -3.952 -3.433 -8.583 1.00 5.10 N ATOM 631 CA LEU A 38 -4.239 -2.441 -7.520 1.00 71.10 C ATOM 632 C LEU A 38 -5.769 -2.216 -7.410 1.00 42.12 C ATOM 633 O LEU A 38 -6.324 -2.139 -6.307 1.00 53.34 O ATOM 634 CB LEU A 38 -3.452 -1.117 -7.835 1.00 24.10 C ATOM 635 CG LEU A 38 -3.218 -0.080 -6.672 1.00 14.02 C ATOM 636 CD1 LEU A 38 -4.478 0.725 -6.311 1.00 34.30 C ATOM 637 CD2 LEU A 38 -2.621 -0.763 -5.419 1.00 41.50 C ATOM 0 H LEU A 38 -3.354 -3.070 -9.325 1.00 5.10 H new ATOM 0 HA LEU A 38 -3.903 -2.806 -6.549 1.00 71.10 H new ATOM 0 HB2 LEU A 38 -2.475 -1.399 -8.228 1.00 24.10 H new ATOM 0 HB3 LEU A 38 -3.981 -0.601 -8.636 1.00 24.10 H new ATOM 0 HG LEU A 38 -2.493 0.638 -7.054 1.00 14.02 H new ATOM 0 HD11 LEU A 38 -4.247 1.420 -5.504 1.00 34.30 H new ATOM 0 HD12 LEU A 38 -4.816 1.283 -7.184 1.00 34.30 H new ATOM 0 HD13 LEU A 38 -5.265 0.043 -5.989 1.00 34.30 H new ATOM 0 HD21 LEU A 38 -2.472 -0.020 -4.636 1.00 41.50 H new ATOM 0 HD22 LEU A 38 -3.306 -1.533 -5.063 1.00 41.50 H new ATOM 0 HD23 LEU A 38 -1.664 -1.218 -5.674 1.00 41.50 H new ATOM 649 N LYS A 39 -6.430 -2.191 -8.584 1.00 1.42 N ATOM 650 CA LYS A 39 -7.889 -2.020 -8.711 1.00 22.13 C ATOM 651 C LYS A 39 -8.662 -3.188 -8.078 1.00 43.24 C ATOM 652 O LYS A 39 -9.606 -2.954 -7.325 1.00 1.41 O ATOM 653 CB LYS A 39 -8.282 -1.885 -10.206 1.00 51.42 C ATOM 654 CG LYS A 39 -7.836 -0.566 -10.867 1.00 43.44 C ATOM 655 CD LYS A 39 -7.963 -0.555 -12.415 1.00 61.42 C ATOM 656 CE LYS A 39 -9.413 -0.622 -12.935 1.00 30.45 C ATOM 657 NZ LYS A 39 -10.046 -1.956 -12.771 1.00 50.10 N ATOM 0 H LYS A 39 -5.958 -2.290 -9.483 1.00 1.42 H new ATOM 0 HA LYS A 39 -8.158 -1.110 -8.174 1.00 22.13 H new ATOM 0 HB2 LYS A 39 -7.849 -2.719 -10.759 1.00 51.42 H new ATOM 0 HB3 LYS A 39 -9.365 -1.973 -10.293 1.00 51.42 H new ATOM 0 HG2 LYS A 39 -8.431 0.251 -10.459 1.00 43.44 H new ATOM 0 HG3 LYS A 39 -6.798 -0.370 -10.597 1.00 43.44 H new ATOM 0 HD2 LYS A 39 -7.493 0.350 -12.800 1.00 61.42 H new ATOM 0 HD3 LYS A 39 -7.405 -1.400 -12.819 1.00 61.42 H new ATOM 0 HE2 LYS A 39 -10.012 0.122 -12.410 1.00 30.45 H new ATOM 0 HE3 LYS A 39 -9.424 -0.352 -13.991 1.00 30.45 H new ATOM 0 HZ1 LYS A 39 -10.571 -2.200 -13.635 1.00 50.10 H new ATOM 0 HZ2 LYS A 39 -9.310 -2.671 -12.600 1.00 50.10 H new ATOM 0 HZ3 LYS A 39 -10.700 -1.933 -11.963 1.00 50.10 H new ATOM 671 N LYS A 40 -8.252 -4.442 -8.385 1.00 72.50 N ATOM 672 CA LYS A 40 -8.983 -5.641 -7.917 1.00 42.42 C ATOM 673 C LYS A 40 -8.875 -5.783 -6.382 1.00 24.03 C ATOM 674 O LYS A 40 -9.827 -6.233 -5.734 1.00 75.23 O ATOM 675 CB LYS A 40 -8.494 -6.940 -8.638 1.00 71.12 C ATOM 676 CG LYS A 40 -7.163 -7.523 -8.115 1.00 15.24 C ATOM 677 CD LYS A 40 -6.631 -8.711 -8.945 1.00 60.13 C ATOM 678 CE LYS A 40 -5.327 -9.278 -8.365 1.00 51.30 C ATOM 679 NZ LYS A 40 -4.756 -10.345 -9.220 1.00 43.13 N ATOM 0 H LYS A 40 -7.427 -4.647 -8.949 1.00 72.50 H new ATOM 0 HA LYS A 40 -10.033 -5.506 -8.176 1.00 42.42 H new ATOM 0 HB2 LYS A 40 -9.268 -7.702 -8.543 1.00 71.12 H new ATOM 0 HB3 LYS A 40 -8.385 -6.727 -9.701 1.00 71.12 H new ATOM 0 HG2 LYS A 40 -6.411 -6.734 -8.105 1.00 15.24 H new ATOM 0 HG3 LYS A 40 -7.300 -7.846 -7.083 1.00 15.24 H new ATOM 0 HD2 LYS A 40 -7.385 -9.497 -8.978 1.00 60.13 H new ATOM 0 HD3 LYS A 40 -6.461 -8.389 -9.972 1.00 60.13 H new ATOM 0 HE2 LYS A 40 -4.600 -8.474 -8.255 1.00 51.30 H new ATOM 0 HE3 LYS A 40 -5.516 -9.675 -7.368 1.00 51.30 H new ATOM 0 HZ1 LYS A 40 -3.730 -10.203 -9.313 1.00 43.13 H new ATOM 0 HZ2 LYS A 40 -4.940 -11.272 -8.787 1.00 43.13 H new ATOM 0 HZ3 LYS A 40 -5.197 -10.309 -10.161 1.00 43.13 H new ATOM 693 N TYR A 41 -7.719 -5.367 -5.810 1.00 13.32 N ATOM 694 CA TYR A 41 -7.528 -5.350 -4.345 1.00 44.04 C ATOM 695 C TYR A 41 -8.484 -4.339 -3.701 1.00 13.41 C ATOM 696 O TYR A 41 -9.198 -4.673 -2.745 1.00 70.12 O ATOM 697 CB TYR A 41 -6.054 -5.037 -3.961 1.00 31.22 C ATOM 698 CG TYR A 41 -5.041 -6.079 -4.471 1.00 10.10 C ATOM 699 CD1 TYR A 41 -5.279 -7.453 -4.319 1.00 10.14 C ATOM 700 CD2 TYR A 41 -3.861 -5.699 -5.114 1.00 13.15 C ATOM 701 CE1 TYR A 41 -4.382 -8.393 -4.793 1.00 55.41 C ATOM 702 CE2 TYR A 41 -2.964 -6.641 -5.585 1.00 73.44 C ATOM 703 CZ TYR A 41 -3.231 -7.981 -5.424 1.00 24.21 C ATOM 704 OH TYR A 41 -2.351 -8.921 -5.914 1.00 11.31 O ATOM 0 H TYR A 41 -6.911 -5.041 -6.340 1.00 13.32 H new ATOM 0 HA TYR A 41 -7.757 -6.345 -3.964 1.00 44.04 H new ATOM 0 HB2 TYR A 41 -5.785 -4.058 -4.359 1.00 31.22 H new ATOM 0 HB3 TYR A 41 -5.978 -4.972 -2.876 1.00 31.22 H new ATOM 0 HD1 TYR A 41 -6.180 -7.783 -3.823 1.00 10.14 H new ATOM 0 HD2 TYR A 41 -3.644 -4.649 -5.246 1.00 13.15 H new ATOM 0 HE1 TYR A 41 -4.584 -9.447 -4.668 1.00 55.41 H new ATOM 0 HE2 TYR A 41 -2.056 -6.325 -6.078 1.00 73.44 H new ATOM 0 HH TYR A 41 -1.432 -8.634 -5.733 1.00 11.31 H new ATOM 714 N LEU A 42 -8.517 -3.111 -4.268 1.00 55.25 N ATOM 715 CA LEU A 42 -9.404 -2.035 -3.793 1.00 13.34 C ATOM 716 C LEU A 42 -10.897 -2.431 -3.904 1.00 23.04 C ATOM 717 O LEU A 42 -11.671 -2.095 -3.018 1.00 65.54 O ATOM 718 CB LEU A 42 -9.131 -0.694 -4.537 1.00 20.00 C ATOM 719 CG LEU A 42 -7.768 0.022 -4.233 1.00 20.23 C ATOM 720 CD1 LEU A 42 -7.699 1.388 -4.952 1.00 24.54 C ATOM 721 CD2 LEU A 42 -7.524 0.186 -2.710 1.00 13.53 C ATOM 0 H LEU A 42 -7.933 -2.844 -5.061 1.00 55.25 H new ATOM 0 HA LEU A 42 -9.178 -1.883 -2.738 1.00 13.34 H new ATOM 0 HB2 LEU A 42 -9.183 -0.884 -5.609 1.00 20.00 H new ATOM 0 HB3 LEU A 42 -9.938 -0.002 -4.297 1.00 20.00 H new ATOM 0 HG LEU A 42 -6.972 -0.615 -4.619 1.00 20.23 H new ATOM 0 HD11 LEU A 42 -6.747 1.869 -4.729 1.00 24.54 H new ATOM 0 HD12 LEU A 42 -7.786 1.238 -6.028 1.00 24.54 H new ATOM 0 HD13 LEU A 42 -8.515 2.022 -4.607 1.00 24.54 H new ATOM 0 HD21 LEU A 42 -6.569 0.686 -2.546 1.00 13.53 H new ATOM 0 HD22 LEU A 42 -8.326 0.783 -2.275 1.00 13.53 H new ATOM 0 HD23 LEU A 42 -7.505 -0.796 -2.237 1.00 13.53 H new ATOM 733 N GLU A 43 -11.275 -3.171 -4.976 1.00 2.12 N ATOM 734 CA GLU A 43 -12.652 -3.720 -5.151 1.00 60.51 C ATOM 735 C GLU A 43 -13.077 -4.562 -3.931 1.00 5.22 C ATOM 736 O GLU A 43 -14.199 -4.428 -3.426 1.00 13.52 O ATOM 737 CB GLU A 43 -12.759 -4.587 -6.445 1.00 40.33 C ATOM 738 CG GLU A 43 -13.001 -3.794 -7.744 1.00 20.11 C ATOM 739 CD GLU A 43 -14.394 -3.121 -7.801 1.00 42.41 C ATOM 740 OE1 GLU A 43 -15.406 -3.837 -7.962 1.00 35.03 O ATOM 741 OE2 GLU A 43 -14.489 -1.878 -7.695 1.00 45.54 O ATOM 0 H GLU A 43 -10.642 -3.405 -5.741 1.00 2.12 H new ATOM 0 HA GLU A 43 -13.324 -2.867 -5.244 1.00 60.51 H new ATOM 0 HB2 GLU A 43 -11.840 -5.163 -6.555 1.00 40.33 H new ATOM 0 HB3 GLU A 43 -13.571 -5.303 -6.318 1.00 40.33 H new ATOM 0 HG2 GLU A 43 -12.231 -3.029 -7.843 1.00 20.11 H new ATOM 0 HG3 GLU A 43 -12.894 -4.465 -8.596 1.00 20.11 H new ATOM 748 N GLU A 44 -12.151 -5.410 -3.461 1.00 31.42 N ATOM 749 CA GLU A 44 -12.371 -6.276 -2.294 1.00 23.54 C ATOM 750 C GLU A 44 -12.469 -5.433 -0.999 1.00 61.32 C ATOM 751 O GLU A 44 -13.223 -5.771 -0.083 1.00 32.03 O ATOM 752 CB GLU A 44 -11.222 -7.311 -2.193 1.00 42.44 C ATOM 753 CG GLU A 44 -11.409 -8.377 -1.097 1.00 41.13 C ATOM 754 CD GLU A 44 -10.206 -9.324 -0.957 1.00 21.23 C ATOM 755 OE1 GLU A 44 -9.161 -8.890 -0.431 1.00 73.12 O ATOM 756 OE2 GLU A 44 -10.300 -10.503 -1.370 1.00 5.14 O ATOM 0 H GLU A 44 -11.227 -5.515 -3.880 1.00 31.42 H new ATOM 0 HA GLU A 44 -13.315 -6.807 -2.417 1.00 23.54 H new ATOM 0 HB2 GLU A 44 -11.118 -7.813 -3.155 1.00 42.44 H new ATOM 0 HB3 GLU A 44 -10.288 -6.780 -2.008 1.00 42.44 H new ATOM 0 HG2 GLU A 44 -11.584 -7.880 -0.143 1.00 41.13 H new ATOM 0 HG3 GLU A 44 -12.300 -8.964 -1.319 1.00 41.13 H new ATOM 763 N PHE A 45 -11.697 -4.335 -0.939 1.00 31.44 N ATOM 764 CA PHE A 45 -11.732 -3.393 0.201 1.00 1.05 C ATOM 765 C PHE A 45 -12.988 -2.499 0.190 1.00 3.55 C ATOM 766 O PHE A 45 -13.369 -1.967 1.232 1.00 33.10 O ATOM 767 CB PHE A 45 -10.450 -2.524 0.220 1.00 11.12 C ATOM 768 CG PHE A 45 -9.154 -3.331 0.333 1.00 45.51 C ATOM 769 CD1 PHE A 45 -9.073 -4.469 1.147 1.00 42.02 C ATOM 770 CD2 PHE A 45 -8.027 -2.964 -0.390 1.00 73.14 C ATOM 771 CE1 PHE A 45 -7.901 -5.203 1.224 1.00 64.00 C ATOM 772 CE2 PHE A 45 -6.869 -3.699 -0.312 1.00 33.35 C ATOM 773 CZ PHE A 45 -6.800 -4.819 0.492 1.00 34.10 C ATOM 0 H PHE A 45 -11.036 -4.074 -1.670 1.00 31.44 H new ATOM 0 HA PHE A 45 -11.776 -3.992 1.111 1.00 1.05 H new ATOM 0 HB2 PHE A 45 -10.415 -1.925 -0.690 1.00 11.12 H new ATOM 0 HB3 PHE A 45 -10.507 -1.828 1.057 1.00 11.12 H new ATOM 0 HD1 PHE A 45 -9.934 -4.777 1.721 1.00 42.02 H new ATOM 0 HD2 PHE A 45 -8.061 -2.089 -1.022 1.00 73.14 H new ATOM 0 HE1 PHE A 45 -7.851 -6.076 1.858 1.00 64.00 H new ATOM 0 HE2 PHE A 45 -6.005 -3.398 -0.885 1.00 33.35 H new ATOM 0 HZ PHE A 45 -5.886 -5.392 0.547 1.00 34.10 H new ATOM 783 N ARG A 46 -13.624 -2.335 -0.991 1.00 74.22 N ATOM 784 CA ARG A 46 -14.876 -1.550 -1.118 1.00 55.42 C ATOM 785 C ARG A 46 -16.045 -2.270 -0.424 1.00 2.23 C ATOM 786 O ARG A 46 -16.954 -1.613 0.095 1.00 53.02 O ATOM 787 CB ARG A 46 -15.220 -1.243 -2.602 1.00 40.41 C ATOM 788 CG ARG A 46 -14.209 -0.306 -3.292 1.00 10.14 C ATOM 789 CD ARG A 46 -14.574 0.028 -4.745 1.00 61.12 C ATOM 790 NE ARG A 46 -15.762 0.888 -4.837 1.00 23.11 N ATOM 791 CZ ARG A 46 -16.491 1.093 -5.942 1.00 71.20 C ATOM 792 NH1 ARG A 46 -16.187 0.495 -7.090 1.00 42.35 N ATOM 793 NH2 ARG A 46 -17.526 1.915 -5.886 1.00 72.11 N ATOM 0 H ARG A 46 -13.293 -2.734 -1.869 1.00 74.22 H new ATOM 0 HA ARG A 46 -14.712 -0.595 -0.619 1.00 55.42 H new ATOM 0 HB2 ARG A 46 -15.269 -2.181 -3.156 1.00 40.41 H new ATOM 0 HB3 ARG A 46 -16.211 -0.792 -2.650 1.00 40.41 H new ATOM 0 HG2 ARG A 46 -14.137 0.620 -2.722 1.00 10.14 H new ATOM 0 HG3 ARG A 46 -13.223 -0.770 -3.271 1.00 10.14 H new ATOM 0 HD2 ARG A 46 -13.730 0.525 -5.224 1.00 61.12 H new ATOM 0 HD3 ARG A 46 -14.754 -0.896 -5.294 1.00 61.12 H new ATOM 0 HE ARG A 46 -16.056 1.370 -3.987 1.00 23.11 H new ATOM 0 HH11 ARG A 46 -15.385 -0.134 -7.141 1.00 42.35 H new ATOM 0 HH12 ARG A 46 -16.755 0.665 -7.920 1.00 42.35 H new ATOM 0 HH21 ARG A 46 -17.759 2.382 -5.010 1.00 72.11 H new ATOM 0 HH22 ARG A 46 -18.091 2.081 -6.719 1.00 72.11 H new ATOM 807 N LYS A 47 -15.967 -3.625 -0.378 1.00 63.23 N ATOM 808 CA LYS A 47 -16.928 -4.490 0.361 1.00 64.12 C ATOM 809 C LYS A 47 -17.104 -4.016 1.820 1.00 23.04 C ATOM 810 O LYS A 47 -18.194 -4.091 2.394 1.00 12.51 O ATOM 811 CB LYS A 47 -16.429 -5.965 0.383 1.00 40.44 C ATOM 812 CG LYS A 47 -16.325 -6.648 -0.996 1.00 74.43 C ATOM 813 CD LYS A 47 -15.708 -8.069 -0.916 1.00 5.43 C ATOM 814 CE LYS A 47 -16.478 -9.021 0.024 1.00 32.11 C ATOM 815 NZ LYS A 47 -17.901 -9.196 -0.374 1.00 0.12 N ATOM 0 H LYS A 47 -15.234 -4.152 -0.853 1.00 63.23 H new ATOM 0 HA LYS A 47 -17.884 -4.423 -0.158 1.00 64.12 H new ATOM 0 HB2 LYS A 47 -15.448 -5.992 0.858 1.00 40.44 H new ATOM 0 HB3 LYS A 47 -17.103 -6.550 1.009 1.00 40.44 H new ATOM 0 HG2 LYS A 47 -17.318 -6.712 -1.441 1.00 74.43 H new ATOM 0 HG3 LYS A 47 -15.719 -6.030 -1.658 1.00 74.43 H new ATOM 0 HD2 LYS A 47 -15.681 -8.502 -1.916 1.00 5.43 H new ATOM 0 HD3 LYS A 47 -14.676 -7.990 -0.575 1.00 5.43 H new ATOM 0 HE2 LYS A 47 -15.985 -9.993 0.032 1.00 32.11 H new ATOM 0 HE3 LYS A 47 -16.435 -8.633 1.042 1.00 32.11 H new ATOM 0 HZ1 LYS A 47 -18.370 -9.844 0.290 1.00 0.12 H new ATOM 0 HZ2 LYS A 47 -18.382 -8.274 -0.357 1.00 0.12 H new ATOM 0 HZ3 LYS A 47 -17.947 -9.592 -1.334 1.00 0.12 H new ATOM 829 N GLU A 48 -16.000 -3.507 2.377 1.00 55.43 N ATOM 830 CA GLU A 48 -15.876 -3.127 3.789 1.00 13.15 C ATOM 831 C GLU A 48 -15.219 -1.741 3.902 1.00 33.51 C ATOM 832 O GLU A 48 -14.506 -1.456 4.873 1.00 61.45 O ATOM 833 CB GLU A 48 -15.045 -4.232 4.490 1.00 44.34 C ATOM 834 CG GLU A 48 -13.653 -4.476 3.849 1.00 50.12 C ATOM 835 CD GLU A 48 -13.059 -5.844 4.204 1.00 40.32 C ATOM 836 OE1 GLU A 48 -12.524 -5.997 5.320 1.00 5.42 O ATOM 837 OE2 GLU A 48 -13.167 -6.783 3.382 1.00 74.43 O ATOM 0 H GLU A 48 -15.145 -3.344 1.845 1.00 55.43 H new ATOM 0 HA GLU A 48 -16.850 -3.049 4.273 1.00 13.15 H new ATOM 0 HB2 GLU A 48 -14.909 -3.961 5.537 1.00 44.34 H new ATOM 0 HB3 GLU A 48 -15.610 -5.164 4.472 1.00 44.34 H new ATOM 0 HG2 GLU A 48 -13.739 -4.394 2.766 1.00 50.12 H new ATOM 0 HG3 GLU A 48 -12.968 -3.693 4.174 1.00 50.12 H new ATOM 844 N SER A 49 -15.525 -0.861 2.919 1.00 33.24 N ATOM 845 CA SER A 49 -14.965 0.509 2.850 1.00 10.21 C ATOM 846 C SER A 49 -15.380 1.408 4.052 1.00 1.32 C ATOM 847 O SER A 49 -14.875 2.534 4.191 1.00 23.02 O ATOM 848 CB SER A 49 -15.339 1.162 1.496 1.00 0.43 C ATOM 849 OG SER A 49 -16.738 1.122 1.264 1.00 32.22 O ATOM 0 H SER A 49 -16.164 -1.080 2.155 1.00 33.24 H new ATOM 0 HA SER A 49 -13.881 0.418 2.918 1.00 10.21 H new ATOM 0 HB2 SER A 49 -14.997 2.197 1.484 1.00 0.43 H new ATOM 0 HB3 SER A 49 -14.821 0.646 0.688 1.00 0.43 H new ATOM 0 HG SER A 49 -16.977 0.265 0.852 1.00 32.22 H new ATOM 855 N GLN A 50 -16.304 0.919 4.905 1.00 35.43 N ATOM 856 CA GLN A 50 -16.607 1.549 6.208 1.00 15.33 C ATOM 857 C GLN A 50 -15.399 1.415 7.175 1.00 3.13 C ATOM 858 O GLN A 50 -14.781 0.351 7.237 1.00 34.23 O ATOM 859 CB GLN A 50 -17.930 0.959 6.810 1.00 54.44 C ATOM 860 CG GLN A 50 -18.035 -0.594 6.927 1.00 42.23 C ATOM 861 CD GLN A 50 -17.448 -1.202 8.214 1.00 62.12 C ATOM 862 OE1 GLN A 50 -18.123 -1.273 9.242 1.00 52.51 O ATOM 863 NE2 GLN A 50 -16.213 -1.665 8.168 1.00 52.15 N ATOM 0 H GLN A 50 -16.857 0.084 4.713 1.00 35.43 H new ATOM 0 HA GLN A 50 -16.774 2.616 6.058 1.00 15.33 H new ATOM 0 HB2 GLN A 50 -18.065 1.382 7.806 1.00 54.44 H new ATOM 0 HB3 GLN A 50 -18.763 1.308 6.200 1.00 54.44 H new ATOM 0 HG2 GLN A 50 -19.086 -0.876 6.859 1.00 42.23 H new ATOM 0 HG3 GLN A 50 -17.529 -1.041 6.071 1.00 42.23 H new ATOM 0 HE21 GLN A 50 -15.674 -1.595 7.305 1.00 52.15 H new ATOM 0 HE22 GLN A 50 -15.798 -2.093 8.995 1.00 52.15 H new ATOM 872 N ASN A 51 -15.031 2.531 7.856 1.00 15.23 N ATOM 873 CA ASN A 51 -13.947 2.572 8.885 1.00 2.11 C ATOM 874 C ASN A 51 -12.611 1.972 8.380 1.00 14.10 C ATOM 875 O ASN A 51 -11.817 1.444 9.170 1.00 20.13 O ATOM 876 CB ASN A 51 -14.415 1.872 10.210 1.00 5.14 C ATOM 877 CG ASN A 51 -15.480 2.668 10.976 1.00 40.23 C ATOM 878 OD1 ASN A 51 -15.525 3.899 10.904 1.00 22.14 O ATOM 879 ND2 ASN A 51 -16.323 1.983 11.734 1.00 60.15 N ATOM 0 H ASN A 51 -15.478 3.436 7.709 1.00 15.23 H new ATOM 0 HA ASN A 51 -13.751 3.624 9.093 1.00 2.11 H new ATOM 0 HB2 ASN A 51 -14.812 0.885 9.970 1.00 5.14 H new ATOM 0 HB3 ASN A 51 -13.551 1.720 10.857 1.00 5.14 H new ATOM 0 HD21 ASN A 51 -17.033 2.473 12.278 1.00 60.15 H new ATOM 0 HD22 ASN A 51 -16.262 0.966 11.774 1.00 60.15 H new ATOM 886 N ILE A 52 -12.349 2.099 7.064 1.00 70.22 N ATOM 887 CA ILE A 52 -11.172 1.481 6.426 1.00 63.31 C ATOM 888 C ILE A 52 -10.099 2.540 6.131 1.00 21.34 C ATOM 889 O ILE A 52 -10.397 3.728 5.941 1.00 64.53 O ATOM 890 CB ILE A 52 -11.549 0.709 5.095 1.00 53.44 C ATOM 891 CG1 ILE A 52 -10.474 -0.375 4.754 1.00 43.44 C ATOM 892 CG2 ILE A 52 -11.742 1.672 3.887 1.00 30.31 C ATOM 893 CD1 ILE A 52 -10.843 -1.287 3.600 1.00 71.34 C ATOM 0 H ILE A 52 -12.940 2.626 6.421 1.00 70.22 H new ATOM 0 HA ILE A 52 -10.775 0.751 7.131 1.00 63.31 H new ATOM 0 HB ILE A 52 -12.504 0.217 5.278 1.00 53.44 H new ATOM 0 HG12 ILE A 52 -9.534 0.125 4.519 1.00 43.44 H new ATOM 0 HG13 ILE A 52 -10.298 -0.985 5.640 1.00 43.44 H new ATOM 0 HG21 ILE A 52 -11.999 1.095 2.999 1.00 30.31 H new ATOM 0 HG22 ILE A 52 -12.545 2.376 4.107 1.00 30.31 H new ATOM 0 HG23 ILE A 52 -10.817 2.221 3.708 1.00 30.31 H new ATOM 0 HD11 ILE A 52 -10.041 -2.006 3.434 1.00 71.34 H new ATOM 0 HD12 ILE A 52 -11.764 -1.819 3.837 1.00 71.34 H new ATOM 0 HD13 ILE A 52 -10.989 -0.692 2.698 1.00 71.34 H new ATOM 905 N LYS A 53 -8.855 2.082 6.115 1.00 53.22 N ATOM 906 CA LYS A 53 -7.689 2.835 5.678 1.00 74.24 C ATOM 907 C LYS A 53 -6.826 1.879 4.856 1.00 33.41 C ATOM 908 O LYS A 53 -6.641 0.719 5.245 1.00 72.05 O ATOM 909 CB LYS A 53 -6.889 3.362 6.897 1.00 2.32 C ATOM 910 CG LYS A 53 -7.469 4.616 7.581 1.00 13.23 C ATOM 911 CD LYS A 53 -6.787 4.919 8.935 1.00 31.04 C ATOM 912 CE LYS A 53 -5.254 4.942 8.856 1.00 40.31 C ATOM 913 NZ LYS A 53 -4.762 6.035 7.981 1.00 71.20 N ATOM 0 H LYS A 53 -8.622 1.137 6.419 1.00 53.22 H new ATOM 0 HA LYS A 53 -7.990 3.700 5.087 1.00 74.24 H new ATOM 0 HB2 LYS A 53 -6.821 2.565 7.637 1.00 2.32 H new ATOM 0 HB3 LYS A 53 -5.872 3.584 6.573 1.00 2.32 H new ATOM 0 HG2 LYS A 53 -7.353 5.474 6.919 1.00 13.23 H new ATOM 0 HG3 LYS A 53 -8.539 4.478 7.739 1.00 13.23 H new ATOM 0 HD2 LYS A 53 -7.139 5.883 9.302 1.00 31.04 H new ATOM 0 HD3 LYS A 53 -7.094 4.169 9.664 1.00 31.04 H new ATOM 0 HE2 LYS A 53 -4.841 5.064 9.857 1.00 40.31 H new ATOM 0 HE3 LYS A 53 -4.895 3.985 8.478 1.00 40.31 H new ATOM 0 HZ1 LYS A 53 -3.727 5.975 7.900 1.00 71.20 H new ATOM 0 HZ2 LYS A 53 -5.189 5.943 7.037 1.00 71.20 H new ATOM 0 HZ3 LYS A 53 -5.024 6.954 8.392 1.00 71.20 H new ATOM 927 N VAL A 54 -6.340 2.354 3.709 1.00 70.41 N ATOM 928 CA VAL A 54 -5.368 1.622 2.877 1.00 74.43 C ATOM 929 C VAL A 54 -4.075 2.459 2.765 1.00 43.20 C ATOM 930 O VAL A 54 -4.138 3.681 2.712 1.00 73.02 O ATOM 931 CB VAL A 54 -5.963 1.287 1.455 1.00 52.11 C ATOM 932 CG1 VAL A 54 -4.937 0.558 0.557 1.00 30.13 C ATOM 933 CG2 VAL A 54 -7.270 0.462 1.582 1.00 62.21 C ATOM 0 H VAL A 54 -6.607 3.260 3.324 1.00 70.41 H new ATOM 0 HA VAL A 54 -5.138 0.667 3.350 1.00 74.43 H new ATOM 0 HB VAL A 54 -6.200 2.235 0.973 1.00 52.11 H new ATOM 0 HG11 VAL A 54 -5.388 0.346 -0.413 1.00 30.13 H new ATOM 0 HG12 VAL A 54 -4.060 1.190 0.419 1.00 30.13 H new ATOM 0 HG13 VAL A 54 -4.639 -0.377 1.031 1.00 30.13 H new ATOM 0 HG21 VAL A 54 -7.661 0.244 0.588 1.00 62.21 H new ATOM 0 HG22 VAL A 54 -7.061 -0.472 2.103 1.00 62.21 H new ATOM 0 HG23 VAL A 54 -8.008 1.034 2.144 1.00 62.21 H new ATOM 943 N LEU A 55 -2.912 1.793 2.807 1.00 44.14 N ATOM 944 CA LEU A 55 -1.596 2.433 2.622 1.00 70.54 C ATOM 945 C LEU A 55 -0.895 1.788 1.426 1.00 13.02 C ATOM 946 O LEU A 55 -0.550 0.615 1.483 1.00 24.03 O ATOM 947 CB LEU A 55 -0.725 2.250 3.889 1.00 2.33 C ATOM 948 CG LEU A 55 0.740 2.790 3.802 1.00 20.13 C ATOM 949 CD1 LEU A 55 0.803 4.329 3.772 1.00 51.10 C ATOM 950 CD2 LEU A 55 1.604 2.216 4.929 1.00 2.20 C ATOM 0 H LEU A 55 -2.855 0.788 2.971 1.00 44.14 H new ATOM 0 HA LEU A 55 -1.737 3.499 2.445 1.00 70.54 H new ATOM 0 HB2 LEU A 55 -1.224 2.745 4.722 1.00 2.33 H new ATOM 0 HB3 LEU A 55 -0.685 1.187 4.127 1.00 2.33 H new ATOM 0 HG LEU A 55 1.149 2.447 2.852 1.00 20.13 H new ATOM 0 HD11 LEU A 55 1.843 4.649 3.711 1.00 51.10 H new ATOM 0 HD12 LEU A 55 0.258 4.699 2.903 1.00 51.10 H new ATOM 0 HD13 LEU A 55 0.352 4.729 4.680 1.00 51.10 H new ATOM 0 HD21 LEU A 55 2.618 2.607 4.846 1.00 2.20 H new ATOM 0 HD22 LEU A 55 1.183 2.503 5.893 1.00 2.20 H new ATOM 0 HD23 LEU A 55 1.627 1.129 4.852 1.00 2.20 H new ATOM 962 N ILE A 56 -0.680 2.561 0.359 1.00 45.41 N ATOM 963 CA ILE A 56 -0.037 2.072 -0.868 1.00 32.13 C ATOM 964 C ILE A 56 1.411 2.603 -0.927 1.00 53.55 C ATOM 965 O ILE A 56 1.618 3.814 -1.013 1.00 33.14 O ATOM 966 CB ILE A 56 -0.841 2.512 -2.152 1.00 45.20 C ATOM 967 CG1 ILE A 56 -2.327 2.027 -2.055 1.00 51.42 C ATOM 968 CG2 ILE A 56 -0.160 1.969 -3.433 1.00 32.20 C ATOM 969 CD1 ILE A 56 -3.239 2.502 -3.172 1.00 63.24 C ATOM 0 H ILE A 56 -0.946 3.545 0.319 1.00 45.41 H new ATOM 0 HA ILE A 56 -0.027 0.982 -0.849 1.00 32.13 H new ATOM 0 HB ILE A 56 -0.842 3.601 -2.209 1.00 45.20 H new ATOM 0 HG12 ILE A 56 -2.336 0.937 -2.040 1.00 51.42 H new ATOM 0 HG13 ILE A 56 -2.740 2.362 -1.104 1.00 51.42 H new ATOM 0 HG21 ILE A 56 -0.729 2.283 -4.308 1.00 32.20 H new ATOM 0 HG22 ILE A 56 0.855 2.361 -3.500 1.00 32.20 H new ATOM 0 HG23 ILE A 56 -0.126 0.880 -3.393 1.00 32.20 H new ATOM 0 HD11 ILE A 56 -4.244 2.112 -3.012 1.00 63.24 H new ATOM 0 HD12 ILE A 56 -3.269 3.592 -3.178 1.00 63.24 H new ATOM 0 HD13 ILE A 56 -2.859 2.144 -4.129 1.00 63.24 H new ATOM 981 N LEU A 57 2.401 1.686 -0.859 1.00 23.24 N ATOM 982 CA LEU A 57 3.833 2.037 -0.951 1.00 50.44 C ATOM 983 C LEU A 57 4.295 1.780 -2.382 1.00 15.43 C ATOM 984 O LEU A 57 4.314 0.631 -2.831 1.00 34.24 O ATOM 985 CB LEU A 57 4.727 1.207 0.027 1.00 2.13 C ATOM 986 CG LEU A 57 4.483 1.384 1.562 1.00 0.11 C ATOM 987 CD1 LEU A 57 4.447 2.876 1.973 1.00 11.11 C ATOM 988 CD2 LEU A 57 3.222 0.628 2.031 1.00 22.42 C ATOM 0 H LEU A 57 2.230 0.688 -0.739 1.00 23.24 H new ATOM 0 HA LEU A 57 3.939 3.085 -0.671 1.00 50.44 H new ATOM 0 HB2 LEU A 57 4.597 0.152 -0.214 1.00 2.13 H new ATOM 0 HB3 LEU A 57 5.768 1.455 -0.178 1.00 2.13 H new ATOM 0 HG LEU A 57 5.334 0.935 2.074 1.00 0.11 H new ATOM 0 HD11 LEU A 57 4.275 2.954 3.047 1.00 11.11 H new ATOM 0 HD12 LEU A 57 5.398 3.345 1.723 1.00 11.11 H new ATOM 0 HD13 LEU A 57 3.642 3.381 1.439 1.00 11.11 H new ATOM 0 HD21 LEU A 57 3.087 0.775 3.102 1.00 22.42 H new ATOM 0 HD22 LEU A 57 2.350 1.009 1.499 1.00 22.42 H new ATOM 0 HD23 LEU A 57 3.337 -0.436 1.823 1.00 22.42 H new ATOM 1000 N VAL A 58 4.649 2.847 -3.087 1.00 63.35 N ATOM 1001 CA VAL A 58 5.201 2.776 -4.444 1.00 41.32 C ATOM 1002 C VAL A 58 6.668 3.216 -4.406 1.00 3.00 C ATOM 1003 O VAL A 58 7.127 3.746 -3.396 1.00 24.54 O ATOM 1004 CB VAL A 58 4.393 3.687 -5.435 1.00 43.11 C ATOM 1005 CG1 VAL A 58 2.896 3.308 -5.440 1.00 40.23 C ATOM 1006 CG2 VAL A 58 4.586 5.183 -5.109 1.00 52.41 C ATOM 0 H VAL A 58 4.562 3.800 -2.733 1.00 63.35 H new ATOM 0 HA VAL A 58 5.126 1.749 -4.801 1.00 41.32 H new ATOM 0 HB VAL A 58 4.787 3.515 -6.437 1.00 43.11 H new ATOM 0 HG11 VAL A 58 2.359 3.954 -6.135 1.00 40.23 H new ATOM 0 HG12 VAL A 58 2.785 2.269 -5.751 1.00 40.23 H new ATOM 0 HG13 VAL A 58 2.486 3.433 -4.438 1.00 40.23 H new ATOM 0 HG21 VAL A 58 4.013 5.786 -5.814 1.00 52.41 H new ATOM 0 HG22 VAL A 58 4.239 5.382 -4.095 1.00 52.41 H new ATOM 0 HG23 VAL A 58 5.643 5.439 -5.187 1.00 52.41 H new ATOM 1016 N SER A 59 7.387 3.004 -5.505 1.00 50.34 N ATOM 1017 CA SER A 59 8.775 3.461 -5.650 1.00 24.20 C ATOM 1018 C SER A 59 8.879 4.449 -6.833 1.00 23.30 C ATOM 1019 O SER A 59 9.628 5.431 -6.766 1.00 14.13 O ATOM 1020 CB SER A 59 9.708 2.243 -5.825 1.00 1.02 C ATOM 1021 OG SER A 59 11.071 2.629 -5.844 1.00 75.43 O ATOM 0 H SER A 59 7.028 2.511 -6.323 1.00 50.34 H new ATOM 0 HA SER A 59 9.090 3.991 -4.751 1.00 24.20 H new ATOM 0 HB2 SER A 59 9.541 1.536 -5.012 1.00 1.02 H new ATOM 0 HB3 SER A 59 9.463 1.726 -6.753 1.00 1.02 H new ATOM 0 HG SER A 59 11.634 1.835 -5.955 1.00 75.43 H new ATOM 1027 N ASN A 60 8.103 4.186 -7.907 1.00 0.00 N ATOM 1028 CA ASN A 60 8.020 5.077 -9.087 1.00 41.24 C ATOM 1029 C ASN A 60 6.989 6.198 -8.839 1.00 65.12 C ATOM 1030 O ASN A 60 5.900 5.936 -8.318 1.00 3.51 O ATOM 1031 CB ASN A 60 7.623 4.280 -10.359 1.00 21.11 C ATOM 1032 CG ASN A 60 8.704 3.300 -10.828 1.00 44.32 C ATOM 1033 OD1 ASN A 60 9.636 3.684 -11.533 1.00 25.32 O ATOM 1034 ND2 ASN A 60 8.580 2.030 -10.471 1.00 13.44 N ATOM 0 H ASN A 60 7.518 3.354 -7.981 1.00 0.00 H new ATOM 0 HA ASN A 60 9.004 5.518 -9.244 1.00 41.24 H new ATOM 0 HB2 ASN A 60 6.705 3.728 -10.160 1.00 21.11 H new ATOM 0 HB3 ASN A 60 7.405 4.981 -11.164 1.00 21.11 H new ATOM 0 HD21 ASN A 60 9.267 1.343 -10.782 1.00 13.44 H new ATOM 0 HD22 ASN A 60 7.797 1.739 -9.886 1.00 13.44 H new ATOM 1041 N ASP A 61 7.352 7.439 -9.222 1.00 25.43 N ATOM 1042 CA ASP A 61 6.486 8.641 -9.095 1.00 13.32 C ATOM 1043 C ASP A 61 5.213 8.560 -9.963 1.00 23.33 C ATOM 1044 O ASP A 61 4.195 9.179 -9.626 1.00 30.34 O ATOM 1045 CB ASP A 61 7.291 9.922 -9.449 1.00 21.33 C ATOM 1046 CG ASP A 61 7.781 9.940 -10.910 1.00 3.41 C ATOM 1047 OD1 ASP A 61 8.768 9.234 -11.218 1.00 42.24 O ATOM 1048 OD2 ASP A 61 7.176 10.643 -11.754 1.00 21.33 O ATOM 0 H ASP A 61 8.263 7.643 -9.633 1.00 25.43 H new ATOM 0 HA ASP A 61 6.159 8.684 -8.056 1.00 13.32 H new ATOM 0 HB2 ASP A 61 6.667 10.798 -9.270 1.00 21.33 H new ATOM 0 HB3 ASP A 61 8.150 10.001 -8.782 1.00 21.33 H new ATOM 1053 N GLU A 62 5.277 7.811 -11.080 1.00 2.44 N ATOM 1054 CA GLU A 62 4.103 7.591 -11.939 1.00 15.13 C ATOM 1055 C GLU A 62 3.112 6.658 -11.230 1.00 54.31 C ATOM 1056 O GLU A 62 1.904 6.841 -11.341 1.00 34.31 O ATOM 1057 CB GLU A 62 4.480 7.004 -13.325 1.00 24.12 C ATOM 1058 CG GLU A 62 3.295 6.995 -14.315 1.00 5.44 C ATOM 1059 CD GLU A 62 3.577 6.266 -15.631 1.00 63.43 C ATOM 1060 OE1 GLU A 62 4.371 6.776 -16.447 1.00 54.45 O ATOM 1061 OE2 GLU A 62 2.991 5.187 -15.862 1.00 72.43 O ATOM 0 H GLU A 62 6.127 7.351 -11.406 1.00 2.44 H new ATOM 0 HA GLU A 62 3.644 8.563 -12.116 1.00 15.13 H new ATOM 0 HB2 GLU A 62 5.298 7.586 -13.750 1.00 24.12 H new ATOM 0 HB3 GLU A 62 4.847 5.986 -13.195 1.00 24.12 H new ATOM 0 HG2 GLU A 62 2.437 6.528 -13.832 1.00 5.44 H new ATOM 0 HG3 GLU A 62 3.015 8.025 -14.537 1.00 5.44 H new ATOM 1068 N GLU A 63 3.649 5.659 -10.492 1.00 52.25 N ATOM 1069 CA GLU A 63 2.828 4.715 -9.712 1.00 54.23 C ATOM 1070 C GLU A 63 2.228 5.390 -8.469 1.00 4.13 C ATOM 1071 O GLU A 63 1.174 4.966 -7.992 1.00 43.04 O ATOM 1072 CB GLU A 63 3.602 3.420 -9.346 1.00 12.04 C ATOM 1073 CG GLU A 63 4.147 2.649 -10.571 1.00 63.10 C ATOM 1074 CD GLU A 63 3.134 2.539 -11.737 1.00 44.03 C ATOM 1075 OE1 GLU A 63 2.132 1.803 -11.613 1.00 52.11 O ATOM 1076 OE2 GLU A 63 3.330 3.213 -12.780 1.00 44.33 O ATOM 0 H GLU A 63 4.652 5.489 -10.423 1.00 52.25 H new ATOM 0 HA GLU A 63 2.001 4.410 -10.353 1.00 54.23 H new ATOM 0 HB2 GLU A 63 4.435 3.679 -8.692 1.00 12.04 H new ATOM 0 HB3 GLU A 63 2.943 2.763 -8.779 1.00 12.04 H new ATOM 0 HG2 GLU A 63 5.049 3.145 -10.930 1.00 63.10 H new ATOM 0 HG3 GLU A 63 4.438 1.646 -10.258 1.00 63.10 H new ATOM 1083 N LEU A 64 2.922 6.423 -7.941 1.00 4.02 N ATOM 1084 CA LEU A 64 2.365 7.324 -6.907 1.00 65.00 C ATOM 1085 C LEU A 64 1.044 7.926 -7.408 1.00 21.11 C ATOM 1086 O LEU A 64 -0.012 7.742 -6.791 1.00 2.52 O ATOM 1087 CB LEU A 64 3.386 8.454 -6.564 1.00 15.35 C ATOM 1088 CG LEU A 64 2.946 9.508 -5.490 1.00 11.35 C ATOM 1089 CD1 LEU A 64 2.752 8.855 -4.105 1.00 64.10 C ATOM 1090 CD2 LEU A 64 3.945 10.688 -5.421 1.00 65.43 C ATOM 0 H LEU A 64 3.876 6.654 -8.217 1.00 4.02 H new ATOM 0 HA LEU A 64 2.173 6.752 -5.999 1.00 65.00 H new ATOM 0 HB2 LEU A 64 4.308 7.985 -6.221 1.00 15.35 H new ATOM 0 HB3 LEU A 64 3.623 8.987 -7.485 1.00 15.35 H new ATOM 0 HG LEU A 64 1.981 9.909 -5.800 1.00 11.35 H new ATOM 0 HD11 LEU A 64 2.447 9.614 -3.384 1.00 64.10 H new ATOM 0 HD12 LEU A 64 1.982 8.086 -4.170 1.00 64.10 H new ATOM 0 HD13 LEU A 64 3.690 8.403 -3.781 1.00 64.10 H new ATOM 0 HD21 LEU A 64 3.613 11.402 -4.668 1.00 65.43 H new ATOM 0 HD22 LEU A 64 4.933 10.313 -5.155 1.00 65.43 H new ATOM 0 HD23 LEU A 64 3.993 11.181 -6.392 1.00 65.43 H new ATOM 1102 N ASP A 65 1.118 8.581 -8.583 1.00 43.44 N ATOM 1103 CA ASP A 65 -0.033 9.252 -9.207 1.00 63.55 C ATOM 1104 C ASP A 65 -1.094 8.234 -9.669 1.00 72.43 C ATOM 1105 O ASP A 65 -2.294 8.505 -9.591 1.00 12.44 O ATOM 1106 CB ASP A 65 0.431 10.128 -10.399 1.00 20.32 C ATOM 1107 CG ASP A 65 -0.620 11.189 -10.770 1.00 64.41 C ATOM 1108 OD1 ASP A 65 -0.628 12.265 -10.126 1.00 15.13 O ATOM 1109 OD2 ASP A 65 -1.464 10.949 -11.662 1.00 32.25 O ATOM 0 H ASP A 65 1.979 8.658 -9.124 1.00 43.44 H new ATOM 0 HA ASP A 65 -0.491 9.895 -8.456 1.00 63.55 H new ATOM 0 HB2 ASP A 65 1.370 10.620 -10.145 1.00 20.32 H new ATOM 0 HB3 ASP A 65 0.627 9.493 -11.263 1.00 20.32 H new ATOM 1114 N LYS A 66 -0.617 7.063 -10.126 1.00 71.11 N ATOM 1115 CA LYS A 66 -1.457 5.959 -10.627 1.00 52.43 C ATOM 1116 C LYS A 66 -2.400 5.469 -9.515 1.00 31.21 C ATOM 1117 O LYS A 66 -3.624 5.461 -9.674 1.00 13.11 O ATOM 1118 CB LYS A 66 -0.539 4.788 -11.088 1.00 51.13 C ATOM 1119 CG LYS A 66 -1.243 3.630 -11.826 1.00 35.53 C ATOM 1120 CD LYS A 66 -1.480 3.894 -13.342 1.00 71.53 C ATOM 1121 CE LYS A 66 -0.256 3.551 -14.232 1.00 24.21 C ATOM 1122 NZ LYS A 66 0.971 4.328 -13.894 1.00 14.13 N ATOM 0 H LYS A 66 0.381 6.853 -10.158 1.00 71.11 H new ATOM 0 HA LYS A 66 -2.055 6.312 -11.467 1.00 52.43 H new ATOM 0 HB2 LYS A 66 0.234 5.193 -11.741 1.00 51.13 H new ATOM 0 HB3 LYS A 66 -0.034 4.381 -10.212 1.00 51.13 H new ATOM 0 HG2 LYS A 66 -0.645 2.725 -11.715 1.00 35.53 H new ATOM 0 HG3 LYS A 66 -2.203 3.438 -11.347 1.00 35.53 H new ATOM 0 HD2 LYS A 66 -2.336 3.307 -13.675 1.00 71.53 H new ATOM 0 HD3 LYS A 66 -1.738 4.943 -13.483 1.00 71.53 H new ATOM 0 HE2 LYS A 66 -0.038 2.487 -14.139 1.00 24.21 H new ATOM 0 HE3 LYS A 66 -0.514 3.734 -15.275 1.00 24.21 H new ATOM 0 HZ1 LYS A 66 1.571 4.414 -14.739 1.00 14.13 H new ATOM 0 HZ2 LYS A 66 0.701 5.276 -13.563 1.00 14.13 H new ATOM 0 HZ3 LYS A 66 1.497 3.837 -13.144 1.00 14.13 H new ATOM 1136 N ALA A 67 -1.789 5.131 -8.372 1.00 34.24 N ATOM 1137 CA ALA A 67 -2.477 4.559 -7.216 1.00 73.30 C ATOM 1138 C ALA A 67 -3.398 5.584 -6.534 1.00 61.25 C ATOM 1139 O ALA A 67 -4.443 5.203 -6.005 1.00 1.42 O ATOM 1140 CB ALA A 67 -1.442 4.016 -6.230 1.00 63.42 C ATOM 0 H ALA A 67 -0.787 5.251 -8.226 1.00 34.24 H new ATOM 0 HA ALA A 67 -3.113 3.744 -7.561 1.00 73.30 H new ATOM 0 HB1 ALA A 67 -1.951 3.589 -5.366 1.00 63.42 H new ATOM 0 HB2 ALA A 67 -0.845 3.245 -6.717 1.00 63.42 H new ATOM 0 HB3 ALA A 67 -0.791 4.827 -5.903 1.00 63.42 H new ATOM 1146 N LYS A 68 -3.000 6.881 -6.555 1.00 71.31 N ATOM 1147 CA LYS A 68 -3.844 7.977 -6.033 1.00 45.34 C ATOM 1148 C LYS A 68 -5.127 8.117 -6.871 1.00 50.44 C ATOM 1149 O LYS A 68 -6.222 8.164 -6.317 1.00 42.22 O ATOM 1150 CB LYS A 68 -3.090 9.337 -6.011 1.00 64.35 C ATOM 1151 CG LYS A 68 -1.949 9.446 -4.974 1.00 31.01 C ATOM 1152 CD LYS A 68 -1.331 10.867 -4.911 1.00 12.42 C ATOM 1153 CE LYS A 68 -0.794 11.350 -6.274 1.00 55.23 C ATOM 1154 NZ LYS A 68 -0.340 12.767 -6.238 1.00 33.31 N ATOM 0 H LYS A 68 -2.102 7.189 -6.927 1.00 71.31 H new ATOM 0 HA LYS A 68 -4.102 7.717 -5.006 1.00 45.34 H new ATOM 0 HB2 LYS A 68 -2.676 9.519 -7.002 1.00 64.35 H new ATOM 0 HB3 LYS A 68 -3.812 10.130 -5.816 1.00 64.35 H new ATOM 0 HG2 LYS A 68 -2.331 9.177 -3.989 1.00 31.01 H new ATOM 0 HG3 LYS A 68 -1.169 8.726 -5.221 1.00 31.01 H new ATOM 0 HD2 LYS A 68 -2.084 11.569 -4.553 1.00 12.42 H new ATOM 0 HD3 LYS A 68 -0.519 10.872 -4.184 1.00 12.42 H new ATOM 0 HE2 LYS A 68 0.036 10.714 -6.580 1.00 55.23 H new ATOM 0 HE3 LYS A 68 -1.574 11.241 -7.028 1.00 55.23 H new ATOM 0 HZ1 LYS A 68 0.011 13.043 -7.177 1.00 33.31 H new ATOM 0 HZ2 LYS A 68 -1.137 13.380 -5.973 1.00 33.31 H new ATOM 0 HZ3 LYS A 68 0.423 12.869 -5.539 1.00 33.31 H new ATOM 1168 N GLU A 69 -4.972 8.165 -8.210 1.00 74.25 N ATOM 1169 CA GLU A 69 -6.106 8.316 -9.152 1.00 43.21 C ATOM 1170 C GLU A 69 -7.136 7.185 -8.977 1.00 65.31 C ATOM 1171 O GLU A 69 -8.353 7.446 -8.907 1.00 60.01 O ATOM 1172 CB GLU A 69 -5.600 8.370 -10.618 1.00 32.43 C ATOM 1173 CG GLU A 69 -4.986 9.720 -11.038 1.00 31.43 C ATOM 1174 CD GLU A 69 -6.010 10.872 -11.054 1.00 33.51 C ATOM 1175 OE1 GLU A 69 -6.745 11.011 -12.060 1.00 52.31 O ATOM 1176 OE2 GLU A 69 -6.104 11.625 -10.055 1.00 51.32 O ATOM 0 H GLU A 69 -4.064 8.101 -8.669 1.00 74.25 H new ATOM 0 HA GLU A 69 -6.603 9.259 -8.922 1.00 43.21 H new ATOM 0 HB2 GLU A 69 -4.855 7.587 -10.760 1.00 32.43 H new ATOM 0 HB3 GLU A 69 -6.432 8.142 -11.284 1.00 32.43 H new ATOM 0 HG2 GLU A 69 -4.175 9.972 -10.354 1.00 31.43 H new ATOM 0 HG3 GLU A 69 -4.546 9.619 -12.030 1.00 31.43 H new ATOM 1183 N LEU A 70 -6.624 5.943 -8.864 1.00 42.53 N ATOM 1184 CA LEU A 70 -7.447 4.754 -8.601 1.00 35.43 C ATOM 1185 C LEU A 70 -8.192 4.916 -7.261 1.00 72.44 C ATOM 1186 O LEU A 70 -9.414 4.917 -7.242 1.00 61.54 O ATOM 1187 CB LEU A 70 -6.568 3.472 -8.598 1.00 23.33 C ATOM 1188 CG LEU A 70 -5.832 3.150 -9.938 1.00 25.12 C ATOM 1189 CD1 LEU A 70 -4.942 1.904 -9.795 1.00 74.01 C ATOM 1190 CD2 LEU A 70 -6.822 3.002 -11.121 1.00 4.44 C ATOM 0 H LEU A 70 -5.628 5.740 -8.953 1.00 42.53 H new ATOM 0 HA LEU A 70 -8.185 4.651 -9.396 1.00 35.43 H new ATOM 0 HB2 LEU A 70 -5.822 3.568 -7.809 1.00 23.33 H new ATOM 0 HB3 LEU A 70 -7.199 2.622 -8.338 1.00 23.33 H new ATOM 0 HG LEU A 70 -5.187 3.999 -10.165 1.00 25.12 H new ATOM 0 HD11 LEU A 70 -4.442 1.703 -10.743 1.00 74.01 H new ATOM 0 HD12 LEU A 70 -4.195 2.077 -9.020 1.00 74.01 H new ATOM 0 HD13 LEU A 70 -5.557 1.047 -9.521 1.00 74.01 H new ATOM 0 HD21 LEU A 70 -6.268 2.779 -12.033 1.00 4.44 H new ATOM 0 HD22 LEU A 70 -7.520 2.191 -10.912 1.00 4.44 H new ATOM 0 HD23 LEU A 70 -7.375 3.932 -11.251 1.00 4.44 H new ATOM 1202 N ALA A 71 -7.422 5.163 -6.181 1.00 54.03 N ATOM 1203 CA ALA A 71 -7.929 5.284 -4.789 1.00 72.41 C ATOM 1204 C ALA A 71 -9.095 6.290 -4.649 1.00 71.32 C ATOM 1205 O ALA A 71 -10.079 6.024 -3.941 1.00 53.34 O ATOM 1206 CB ALA A 71 -6.768 5.688 -3.872 1.00 61.23 C ATOM 0 H ALA A 71 -6.412 5.287 -6.248 1.00 54.03 H new ATOM 0 HA ALA A 71 -8.330 4.313 -4.500 1.00 72.41 H new ATOM 0 HB1 ALA A 71 -7.129 5.780 -2.847 1.00 61.23 H new ATOM 0 HB2 ALA A 71 -5.988 4.928 -3.916 1.00 61.23 H new ATOM 0 HB3 ALA A 71 -6.361 6.644 -4.200 1.00 61.23 H new ATOM 1212 N GLN A 72 -8.959 7.434 -5.345 1.00 1.52 N ATOM 1213 CA GLN A 72 -9.979 8.496 -5.380 1.00 0.33 C ATOM 1214 C GLN A 72 -11.266 8.000 -6.069 1.00 53.43 C ATOM 1215 O GLN A 72 -12.365 8.159 -5.527 1.00 43.44 O ATOM 1216 CB GLN A 72 -9.416 9.742 -6.113 1.00 55.54 C ATOM 1217 CG GLN A 72 -8.215 10.405 -5.414 1.00 54.03 C ATOM 1218 CD GLN A 72 -7.601 11.530 -6.247 1.00 44.15 C ATOM 1219 OE1 GLN A 72 -6.668 11.184 -7.130 1.00 24.44 O flip ATOM 1220 NE2 GLN A 72 -7.982 12.694 -6.122 1.00 50.01 N flip ATOM 0 H GLN A 72 -8.132 7.648 -5.902 1.00 1.52 H new ATOM 0 HA GLN A 72 -10.231 8.770 -4.356 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -9.119 9.452 -7.121 1.00 55.54 H new ATOM 0 HB3 GLN A 72 -10.213 10.479 -6.215 1.00 55.54 H new ATOM 0 HG2 GLN A 72 -8.534 10.803 -4.451 1.00 54.03 H new ATOM 0 HG3 GLN A 72 -7.455 9.651 -5.211 1.00 54.03 H new ATOM 0 HE21 GLN A 72 -8.700 12.925 -5.435 1.00 50.01 H new ATOM 0 HE22 GLN A 72 -7.580 13.428 -6.706 1.00 50.01 H new ATOM 1229 N LYS A 73 -11.111 7.370 -7.250 1.00 40.23 N ATOM 1230 CA LYS A 73 -12.261 6.893 -8.059 1.00 63.14 C ATOM 1231 C LYS A 73 -12.956 5.667 -7.408 1.00 21.12 C ATOM 1232 O LYS A 73 -14.163 5.457 -7.589 1.00 23.23 O ATOM 1233 CB LYS A 73 -11.806 6.562 -9.500 1.00 22.55 C ATOM 1234 CG LYS A 73 -11.224 7.765 -10.276 1.00 11.04 C ATOM 1235 CD LYS A 73 -10.825 7.403 -11.726 1.00 72.15 C ATOM 1236 CE LYS A 73 -10.130 8.561 -12.461 1.00 44.53 C ATOM 1237 NZ LYS A 73 -8.798 8.881 -11.880 1.00 44.03 N ATOM 0 H LYS A 73 -10.201 7.177 -7.669 1.00 40.23 H new ATOM 0 HA LYS A 73 -12.994 7.699 -8.098 1.00 63.14 H new ATOM 0 HB2 LYS A 73 -11.055 5.773 -9.459 1.00 22.55 H new ATOM 0 HB3 LYS A 73 -12.656 6.164 -10.054 1.00 22.55 H new ATOM 0 HG2 LYS A 73 -11.959 8.569 -10.296 1.00 11.04 H new ATOM 0 HG3 LYS A 73 -10.350 8.145 -9.747 1.00 11.04 H new ATOM 0 HD2 LYS A 73 -10.161 6.539 -11.710 1.00 72.15 H new ATOM 0 HD3 LYS A 73 -11.716 7.110 -12.281 1.00 72.15 H new ATOM 0 HE2 LYS A 73 -10.012 8.302 -13.513 1.00 44.53 H new ATOM 0 HE3 LYS A 73 -10.764 9.447 -12.420 1.00 44.53 H new ATOM 0 HZ1 LYS A 73 -8.770 9.885 -11.609 1.00 44.03 H new ATOM 0 HZ2 LYS A 73 -8.635 8.290 -11.040 1.00 44.03 H new ATOM 0 HZ3 LYS A 73 -8.057 8.692 -12.585 1.00 44.03 H new ATOM 1251 N MET A 74 -12.184 4.881 -6.632 1.00 53.45 N ATOM 1252 CA MET A 74 -12.698 3.728 -5.850 1.00 12.11 C ATOM 1253 C MET A 74 -13.314 4.231 -4.525 1.00 0.43 C ATOM 1254 O MET A 74 -13.944 3.458 -3.792 1.00 71.34 O ATOM 1255 CB MET A 74 -11.546 2.716 -5.574 1.00 53.43 C ATOM 1256 CG MET A 74 -10.827 2.235 -6.844 1.00 42.22 C ATOM 1257 SD MET A 74 -11.857 1.239 -7.932 1.00 2.40 S ATOM 1258 CE MET A 74 -11.656 -0.376 -7.205 1.00 55.32 C ATOM 0 H MET A 74 -11.180 5.025 -6.526 1.00 53.45 H new ATOM 0 HA MET A 74 -13.473 3.218 -6.423 1.00 12.11 H new ATOM 0 HB2 MET A 74 -10.818 3.181 -4.909 1.00 53.43 H new ATOM 0 HB3 MET A 74 -11.952 1.852 -5.048 1.00 53.43 H new ATOM 0 HG2 MET A 74 -10.466 3.103 -7.396 1.00 42.22 H new ATOM 0 HG3 MET A 74 -9.951 1.653 -6.556 1.00 42.22 H new ATOM 0 HE1 MET A 74 -11.067 -1.005 -7.872 1.00 55.32 H new ATOM 0 HE2 MET A 74 -11.143 -0.283 -6.248 1.00 55.32 H new ATOM 0 HE3 MET A 74 -12.635 -0.830 -7.050 1.00 55.32 H new ATOM 1268 N GLU A 75 -13.097 5.549 -4.254 1.00 60.45 N ATOM 1269 CA GLU A 75 -13.695 6.299 -3.127 1.00 25.52 C ATOM 1270 C GLU A 75 -13.308 5.698 -1.759 1.00 41.41 C ATOM 1271 O GLU A 75 -14.110 5.677 -0.818 1.00 44.15 O ATOM 1272 CB GLU A 75 -15.239 6.387 -3.326 1.00 13.32 C ATOM 1273 CG GLU A 75 -15.659 7.041 -4.661 1.00 43.41 C ATOM 1274 CD GLU A 75 -17.178 7.031 -4.898 1.00 34.04 C ATOM 1275 OE1 GLU A 75 -17.889 7.880 -4.317 1.00 52.40 O ATOM 1276 OE2 GLU A 75 -17.666 6.170 -5.664 1.00 23.43 O ATOM 0 H GLU A 75 -12.486 6.127 -4.831 1.00 60.45 H new ATOM 0 HA GLU A 75 -13.291 7.311 -3.124 1.00 25.52 H new ATOM 0 HB2 GLU A 75 -15.660 5.383 -3.276 1.00 13.32 H new ATOM 0 HB3 GLU A 75 -15.670 6.955 -2.502 1.00 13.32 H new ATOM 0 HG2 GLU A 75 -15.303 8.071 -4.679 1.00 43.41 H new ATOM 0 HG3 GLU A 75 -15.168 6.519 -5.482 1.00 43.41 H new ATOM 1283 N ILE A 76 -12.050 5.240 -1.657 1.00 65.23 N ATOM 1284 CA ILE A 76 -11.485 4.677 -0.414 1.00 55.42 C ATOM 1285 C ILE A 76 -10.517 5.698 0.214 1.00 44.24 C ATOM 1286 O ILE A 76 -9.778 6.382 -0.505 1.00 33.23 O ATOM 1287 CB ILE A 76 -10.734 3.317 -0.692 1.00 63.22 C ATOM 1288 CG1 ILE A 76 -11.694 2.305 -1.389 1.00 54.30 C ATOM 1289 CG2 ILE A 76 -10.144 2.712 0.612 1.00 52.12 C ATOM 1290 CD1 ILE A 76 -11.077 0.960 -1.706 1.00 14.42 C ATOM 0 H ILE A 76 -11.391 5.249 -2.436 1.00 65.23 H new ATOM 0 HA ILE A 76 -12.302 4.471 0.277 1.00 55.42 H new ATOM 0 HB ILE A 76 -9.898 3.524 -1.360 1.00 63.22 H new ATOM 0 HG12 ILE A 76 -12.562 2.149 -0.748 1.00 54.30 H new ATOM 0 HG13 ILE A 76 -12.058 2.750 -2.315 1.00 54.30 H new ATOM 0 HG21 ILE A 76 -9.635 1.776 0.381 1.00 52.12 H new ATOM 0 HG22 ILE A 76 -9.434 3.413 1.050 1.00 52.12 H new ATOM 0 HG23 ILE A 76 -10.949 2.521 1.321 1.00 52.12 H new ATOM 0 HD11 ILE A 76 -11.819 0.324 -2.189 1.00 14.42 H new ATOM 0 HD12 ILE A 76 -10.227 1.098 -2.375 1.00 14.42 H new ATOM 0 HD13 ILE A 76 -10.740 0.488 -0.783 1.00 14.42 H new ATOM 1302 N ASP A 77 -10.544 5.807 1.555 1.00 21.24 N ATOM 1303 CA ASP A 77 -9.634 6.677 2.316 1.00 33.14 C ATOM 1304 C ASP A 77 -8.228 6.032 2.373 1.00 22.12 C ATOM 1305 O ASP A 77 -8.016 5.035 3.081 1.00 41.33 O ATOM 1306 CB ASP A 77 -10.209 6.916 3.735 1.00 21.42 C ATOM 1307 CG ASP A 77 -9.325 7.825 4.606 1.00 22.12 C ATOM 1308 OD1 ASP A 77 -9.203 9.031 4.291 1.00 0.43 O ATOM 1309 OD2 ASP A 77 -8.735 7.348 5.602 1.00 50.31 O ATOM 0 H ASP A 77 -11.200 5.292 2.141 1.00 21.24 H new ATOM 0 HA ASP A 77 -9.542 7.645 1.823 1.00 33.14 H new ATOM 0 HB2 ASP A 77 -11.200 7.361 3.647 1.00 21.42 H new ATOM 0 HB3 ASP A 77 -10.334 5.956 4.235 1.00 21.42 H new ATOM 1314 N VAL A 78 -7.279 6.595 1.597 1.00 64.05 N ATOM 1315 CA VAL A 78 -5.945 5.996 1.369 1.00 0.41 C ATOM 1316 C VAL A 78 -4.813 7.011 1.668 1.00 50.31 C ATOM 1317 O VAL A 78 -5.003 8.224 1.547 1.00 15.10 O ATOM 1318 CB VAL A 78 -5.824 5.470 -0.123 1.00 5.05 C ATOM 1319 CG1 VAL A 78 -4.447 4.831 -0.424 1.00 64.34 C ATOM 1320 CG2 VAL A 78 -6.956 4.472 -0.462 1.00 52.42 C ATOM 0 H VAL A 78 -7.415 7.480 1.109 1.00 64.05 H new ATOM 0 HA VAL A 78 -5.836 5.155 2.054 1.00 0.41 H new ATOM 0 HB VAL A 78 -5.923 6.349 -0.760 1.00 5.05 H new ATOM 0 HG11 VAL A 78 -4.423 4.490 -1.459 1.00 64.34 H new ATOM 0 HG12 VAL A 78 -3.661 5.570 -0.267 1.00 64.34 H new ATOM 0 HG13 VAL A 78 -4.286 3.983 0.242 1.00 64.34 H new ATOM 0 HG21 VAL A 78 -6.844 4.131 -1.491 1.00 52.42 H new ATOM 0 HG22 VAL A 78 -6.901 3.617 0.212 1.00 52.42 H new ATOM 0 HG23 VAL A 78 -7.922 4.964 -0.346 1.00 52.42 H new ATOM 1330 N ARG A 79 -3.662 6.474 2.118 1.00 52.42 N ATOM 1331 CA ARG A 79 -2.369 7.174 2.183 1.00 73.10 C ATOM 1332 C ARG A 79 -1.464 6.531 1.116 1.00 64.14 C ATOM 1333 O ARG A 79 -1.165 5.341 1.206 1.00 31.22 O ATOM 1334 CB ARG A 79 -1.685 7.037 3.588 1.00 42.53 C ATOM 1335 CG ARG A 79 -2.258 7.937 4.713 1.00 5.43 C ATOM 1336 CD ARG A 79 -3.663 7.537 5.186 1.00 61.43 C ATOM 1337 NE ARG A 79 -4.248 8.565 6.075 1.00 34.13 N ATOM 1338 CZ ARG A 79 -5.485 9.072 5.946 1.00 21.42 C ATOM 1339 NH1 ARG A 79 -6.291 8.651 4.976 1.00 51.10 N ATOM 1340 NH2 ARG A 79 -5.889 10.037 6.763 1.00 32.02 N ATOM 0 H ARG A 79 -3.607 5.513 2.456 1.00 52.42 H new ATOM 0 HA ARG A 79 -2.527 8.239 2.011 1.00 73.10 H new ATOM 0 HB2 ARG A 79 -1.761 5.998 3.907 1.00 42.53 H new ATOM 0 HB3 ARG A 79 -0.624 7.260 3.477 1.00 42.53 H new ATOM 0 HG2 ARG A 79 -1.579 7.911 5.565 1.00 5.43 H new ATOM 0 HG3 ARG A 79 -2.286 8.968 4.359 1.00 5.43 H new ATOM 0 HD2 ARG A 79 -4.311 7.390 4.322 1.00 61.43 H new ATOM 0 HD3 ARG A 79 -3.613 6.584 5.713 1.00 61.43 H new ATOM 0 HE ARG A 79 -3.671 8.913 6.840 1.00 34.13 H new ATOM 0 HH11 ARG A 79 -5.972 7.937 4.322 1.00 51.10 H new ATOM 0 HH12 ARG A 79 -7.229 9.042 4.886 1.00 51.10 H new ATOM 0 HH21 ARG A 79 -5.261 10.390 7.485 1.00 32.02 H new ATOM 0 HH22 ARG A 79 -6.828 10.425 6.669 1.00 32.02 H new ATOM 1354 N THR A 80 -1.053 7.297 0.108 1.00 50.34 N ATOM 1355 CA THR A 80 -0.184 6.794 -0.968 1.00 52.15 C ATOM 1356 C THR A 80 1.188 7.479 -0.833 1.00 63.00 C ATOM 1357 O THR A 80 1.291 8.706 -0.958 1.00 52.12 O ATOM 1358 CB THR A 80 -0.818 7.061 -2.372 1.00 10.13 C ATOM 1359 OG1 THR A 80 -2.187 6.609 -2.376 1.00 12.24 O ATOM 1360 CG2 THR A 80 -0.059 6.344 -3.506 1.00 60.13 C ATOM 0 H THR A 80 -1.308 8.280 0.009 1.00 50.34 H new ATOM 0 HA THR A 80 -0.066 5.714 -0.879 1.00 52.15 H new ATOM 0 HB THR A 80 -0.760 8.134 -2.552 1.00 10.13 H new ATOM 0 HG1 THR A 80 -2.585 6.778 -3.256 1.00 12.24 H new ATOM 0 HG21 THR A 80 -0.539 6.562 -4.460 1.00 60.13 H new ATOM 0 HG22 THR A 80 0.973 6.694 -3.531 1.00 60.13 H new ATOM 0 HG23 THR A 80 -0.073 5.268 -3.330 1.00 60.13 H new ATOM 1368 N ARG A 81 2.226 6.677 -0.538 1.00 23.20 N ATOM 1369 CA ARG A 81 3.590 7.166 -0.261 1.00 62.11 C ATOM 1370 C ARG A 81 4.580 6.609 -1.289 1.00 2.42 C ATOM 1371 O ARG A 81 4.567 5.414 -1.585 1.00 63.32 O ATOM 1372 CB ARG A 81 4.031 6.761 1.177 1.00 5.42 C ATOM 1373 CG ARG A 81 3.285 7.497 2.313 1.00 32.40 C ATOM 1374 CD ARG A 81 3.473 9.026 2.243 1.00 45.03 C ATOM 1375 NE ARG A 81 4.901 9.403 2.188 1.00 23.32 N ATOM 1376 CZ ARG A 81 5.382 10.612 1.852 1.00 52.33 C ATOM 1377 NH1 ARG A 81 4.569 11.620 1.543 1.00 53.43 N ATOM 1378 NH2 ARG A 81 6.693 10.806 1.825 1.00 40.52 N ATOM 0 H ARG A 81 2.142 5.662 -0.484 1.00 23.20 H new ATOM 0 HA ARG A 81 3.585 8.254 -0.334 1.00 62.11 H new ATOM 0 HB2 ARG A 81 3.883 5.688 1.299 1.00 5.42 H new ATOM 0 HB3 ARG A 81 5.100 6.949 1.281 1.00 5.42 H new ATOM 0 HG2 ARG A 81 2.222 7.261 2.259 1.00 32.40 H new ATOM 0 HG3 ARG A 81 3.644 7.133 3.276 1.00 32.40 H new ATOM 0 HD2 ARG A 81 2.961 9.415 1.363 1.00 45.03 H new ATOM 0 HD3 ARG A 81 3.008 9.489 3.113 1.00 45.03 H new ATOM 0 HE ARG A 81 5.582 8.682 2.426 1.00 23.32 H new ATOM 0 HH11 ARG A 81 3.558 11.483 1.558 1.00 53.43 H new ATOM 0 HH12 ARG A 81 4.957 12.529 1.291 1.00 53.43 H new ATOM 0 HH21 ARG A 81 7.327 10.041 2.058 1.00 40.52 H new ATOM 0 HH22 ARG A 81 7.068 11.720 1.571 1.00 40.52 H new ATOM 1392 N LYS A 82 5.430 7.498 -1.820 1.00 42.34 N ATOM 1393 CA LYS A 82 6.523 7.143 -2.728 1.00 63.21 C ATOM 1394 C LYS A 82 7.814 7.053 -1.908 1.00 41.42 C ATOM 1395 O LYS A 82 8.191 8.016 -1.230 1.00 42.40 O ATOM 1396 CB LYS A 82 6.661 8.210 -3.841 1.00 53.30 C ATOM 1397 CG LYS A 82 7.757 7.901 -4.888 1.00 64.24 C ATOM 1398 CD LYS A 82 8.015 9.084 -5.845 1.00 45.10 C ATOM 1399 CE LYS A 82 8.542 10.332 -5.120 1.00 44.30 C ATOM 1400 NZ LYS A 82 8.844 11.446 -6.053 1.00 2.42 N ATOM 0 H LYS A 82 5.375 8.498 -1.627 1.00 42.34 H new ATOM 0 HA LYS A 82 6.319 6.185 -3.207 1.00 63.21 H new ATOM 0 HB2 LYS A 82 5.704 8.310 -4.353 1.00 53.30 H new ATOM 0 HB3 LYS A 82 6.877 9.173 -3.379 1.00 53.30 H new ATOM 0 HG2 LYS A 82 8.684 7.646 -4.374 1.00 64.24 H new ATOM 0 HG3 LYS A 82 7.463 7.026 -5.468 1.00 64.24 H new ATOM 0 HD2 LYS A 82 8.734 8.780 -6.605 1.00 45.10 H new ATOM 0 HD3 LYS A 82 7.090 9.334 -6.364 1.00 45.10 H new ATOM 0 HE2 LYS A 82 7.803 10.664 -4.390 1.00 44.30 H new ATOM 0 HE3 LYS A 82 9.444 10.072 -4.565 1.00 44.30 H new ATOM 0 HZ1 LYS A 82 9.196 12.264 -5.515 1.00 2.42 H new ATOM 0 HZ2 LYS A 82 9.569 11.142 -6.734 1.00 2.42 H new ATOM 0 HZ3 LYS A 82 7.979 11.714 -6.565 1.00 2.42 H new ATOM 1414 N VAL A 83 8.474 5.892 -1.969 1.00 23.41 N ATOM 1415 CA VAL A 83 9.660 5.580 -1.158 1.00 11.43 C ATOM 1416 C VAL A 83 10.844 5.210 -2.075 1.00 51.42 C ATOM 1417 O VAL A 83 10.661 4.530 -3.096 1.00 13.34 O ATOM 1418 CB VAL A 83 9.340 4.415 -0.135 1.00 73.35 C ATOM 1419 CG1 VAL A 83 8.206 4.831 0.839 1.00 33.12 C ATOM 1420 CG2 VAL A 83 8.973 3.092 -0.851 1.00 55.23 C ATOM 0 H VAL A 83 8.198 5.132 -2.590 1.00 23.41 H new ATOM 0 HA VAL A 83 9.939 6.462 -0.581 1.00 11.43 H new ATOM 0 HB VAL A 83 10.251 4.237 0.437 1.00 73.35 H new ATOM 0 HG11 VAL A 83 8.004 4.014 1.532 1.00 33.12 H new ATOM 0 HG12 VAL A 83 8.513 5.715 1.399 1.00 33.12 H new ATOM 0 HG13 VAL A 83 7.303 5.057 0.271 1.00 33.12 H new ATOM 0 HG21 VAL A 83 8.762 2.323 -0.108 1.00 55.23 H new ATOM 0 HG22 VAL A 83 8.092 3.247 -1.473 1.00 55.23 H new ATOM 0 HG23 VAL A 83 9.807 2.773 -1.476 1.00 55.23 H new ATOM 1430 N THR A 84 12.049 5.696 -1.732 1.00 34.32 N ATOM 1431 CA THR A 84 13.286 5.367 -2.475 1.00 42.13 C ATOM 1432 C THR A 84 14.094 4.297 -1.723 1.00 1.03 C ATOM 1433 O THR A 84 14.884 3.565 -2.326 1.00 24.43 O ATOM 1434 CB THR A 84 14.173 6.636 -2.725 1.00 44.30 C ATOM 1435 OG1 THR A 84 14.488 7.286 -1.486 1.00 21.23 O ATOM 1436 CG2 THR A 84 13.495 7.641 -3.669 1.00 51.23 C ATOM 0 H THR A 84 12.197 6.322 -0.941 1.00 34.32 H new ATOM 0 HA THR A 84 12.987 4.975 -3.447 1.00 42.13 H new ATOM 0 HB THR A 84 15.090 6.289 -3.201 1.00 44.30 H new ATOM 0 HG1 THR A 84 14.051 6.812 -0.748 1.00 21.23 H new ATOM 0 HG21 THR A 84 14.147 8.503 -3.812 1.00 51.23 H new ATOM 0 HG22 THR A 84 13.306 7.166 -4.631 1.00 51.23 H new ATOM 0 HG23 THR A 84 12.551 7.969 -3.234 1.00 51.23 H new ATOM 1444 N SER A 85 13.881 4.212 -0.403 1.00 73.05 N ATOM 1445 CA SER A 85 14.552 3.244 0.476 1.00 71.33 C ATOM 1446 C SER A 85 13.501 2.284 1.074 1.00 24.04 C ATOM 1447 O SER A 85 12.367 2.718 1.342 1.00 61.31 O ATOM 1448 CB SER A 85 15.282 4.008 1.605 1.00 53.44 C ATOM 1449 OG SER A 85 16.121 5.015 1.069 1.00 42.34 O ATOM 0 H SER A 85 13.229 4.822 0.091 1.00 73.05 H new ATOM 0 HA SER A 85 15.279 2.664 -0.092 1.00 71.33 H new ATOM 0 HB2 SER A 85 14.551 4.457 2.278 1.00 53.44 H new ATOM 0 HB3 SER A 85 15.875 3.311 2.197 1.00 53.44 H new ATOM 0 HG SER A 85 16.572 5.488 1.799 1.00 42.34 H new ATOM 1455 N PRO A 86 13.844 0.968 1.294 1.00 72.02 N ATOM 1456 CA PRO A 86 12.937 0.008 1.974 1.00 22.43 C ATOM 1457 C PRO A 86 12.591 0.461 3.408 1.00 0.30 C ATOM 1458 O PRO A 86 11.471 0.240 3.864 1.00 73.43 O ATOM 1459 CB PRO A 86 13.732 -1.330 1.964 1.00 1.20 C ATOM 1460 CG PRO A 86 15.160 -0.933 1.750 1.00 15.22 C ATOM 1461 CD PRO A 86 15.111 0.307 0.882 1.00 3.01 C ATOM 0 HA PRO A 86 11.972 -0.078 1.474 1.00 22.43 H new ATOM 0 HB2 PRO A 86 13.609 -1.869 2.904 1.00 1.20 H new ATOM 0 HB3 PRO A 86 13.383 -1.990 1.170 1.00 1.20 H new ATOM 0 HG2 PRO A 86 15.657 -0.728 2.699 1.00 15.22 H new ATOM 0 HG3 PRO A 86 15.720 -1.731 1.263 1.00 15.22 H new ATOM 0 HD2 PRO A 86 15.974 0.951 1.053 1.00 3.01 H new ATOM 0 HD3 PRO A 86 15.106 0.055 -0.178 1.00 3.01 H new ATOM 1469 N ASP A 87 13.561 1.147 4.067 1.00 60.55 N ATOM 1470 CA ASP A 87 13.413 1.703 5.435 1.00 63.34 C ATOM 1471 C ASP A 87 12.177 2.620 5.537 1.00 51.34 C ATOM 1472 O ASP A 87 11.404 2.538 6.501 1.00 23.41 O ATOM 1473 CB ASP A 87 14.692 2.495 5.830 1.00 51.23 C ATOM 1474 CG ASP A 87 14.632 3.076 7.257 1.00 31.01 C ATOM 1475 OD1 ASP A 87 14.926 2.335 8.221 1.00 14.32 O ATOM 1476 OD2 ASP A 87 14.284 4.269 7.426 1.00 32.52 O ATOM 0 H ASP A 87 14.477 1.331 3.658 1.00 60.55 H new ATOM 0 HA ASP A 87 13.275 0.869 6.123 1.00 63.34 H new ATOM 0 HB2 ASP A 87 15.558 1.838 5.749 1.00 51.23 H new ATOM 0 HB3 ASP A 87 14.841 3.308 5.120 1.00 51.23 H new ATOM 1481 N GLU A 88 11.995 3.470 4.507 1.00 72.40 N ATOM 1482 CA GLU A 88 10.854 4.399 4.415 1.00 23.12 C ATOM 1483 C GLU A 88 9.528 3.622 4.384 1.00 52.21 C ATOM 1484 O GLU A 88 8.628 3.905 5.175 1.00 14.32 O ATOM 1485 CB GLU A 88 10.971 5.286 3.158 1.00 3.55 C ATOM 1486 CG GLU A 88 12.213 6.183 3.107 1.00 4.25 C ATOM 1487 CD GLU A 88 12.320 6.957 1.784 1.00 55.53 C ATOM 1488 OE1 GLU A 88 11.421 7.772 1.487 1.00 60.23 O ATOM 1489 OE2 GLU A 88 13.281 6.738 1.024 1.00 33.04 O ATOM 0 H GLU A 88 12.636 3.531 3.716 1.00 72.40 H new ATOM 0 HA GLU A 88 10.869 5.039 5.297 1.00 23.12 H new ATOM 0 HB2 GLU A 88 10.970 4.643 2.278 1.00 3.55 H new ATOM 0 HB3 GLU A 88 10.084 5.916 3.093 1.00 3.55 H new ATOM 0 HG2 GLU A 88 12.183 6.889 3.937 1.00 4.25 H new ATOM 0 HG3 GLU A 88 13.106 5.572 3.241 1.00 4.25 H new ATOM 1496 N ALA A 89 9.471 2.586 3.517 1.00 11.31 N ATOM 1497 CA ALA A 89 8.257 1.771 3.304 1.00 70.23 C ATOM 1498 C ALA A 89 7.828 1.077 4.605 1.00 1.54 C ATOM 1499 O ALA A 89 6.641 1.050 4.944 1.00 12.24 O ATOM 1500 CB ALA A 89 8.499 0.731 2.201 1.00 42.23 C ATOM 0 H ALA A 89 10.265 2.293 2.947 1.00 11.31 H new ATOM 0 HA ALA A 89 7.452 2.436 2.990 1.00 70.23 H new ATOM 0 HB1 ALA A 89 7.596 0.138 2.055 1.00 42.23 H new ATOM 0 HB2 ALA A 89 8.753 1.239 1.271 1.00 42.23 H new ATOM 0 HB3 ALA A 89 9.320 0.076 2.492 1.00 42.23 H new ATOM 1506 N LYS A 90 8.834 0.559 5.336 1.00 24.21 N ATOM 1507 CA LYS A 90 8.649 -0.096 6.642 1.00 43.34 C ATOM 1508 C LYS A 90 8.075 0.890 7.663 1.00 73.14 C ATOM 1509 O LYS A 90 7.171 0.544 8.443 1.00 74.32 O ATOM 1510 CB LYS A 90 10.007 -0.617 7.181 1.00 12.02 C ATOM 1511 CG LYS A 90 10.747 -1.592 6.254 1.00 74.33 C ATOM 1512 CD LYS A 90 12.160 -1.962 6.774 1.00 12.31 C ATOM 1513 CE LYS A 90 12.132 -2.892 7.997 1.00 12.42 C ATOM 1514 NZ LYS A 90 13.498 -3.338 8.385 1.00 42.01 N ATOM 0 H LYS A 90 9.807 0.585 5.032 1.00 24.21 H new ATOM 0 HA LYS A 90 7.958 -0.927 6.501 1.00 43.34 H new ATOM 0 HB2 LYS A 90 10.655 0.238 7.375 1.00 12.02 H new ATOM 0 HB3 LYS A 90 9.835 -1.110 8.138 1.00 12.02 H new ATOM 0 HG2 LYS A 90 10.156 -2.501 6.144 1.00 74.33 H new ATOM 0 HG3 LYS A 90 10.835 -1.147 5.263 1.00 74.33 H new ATOM 0 HD2 LYS A 90 12.720 -2.444 5.973 1.00 12.31 H new ATOM 0 HD3 LYS A 90 12.695 -1.048 7.033 1.00 12.31 H new ATOM 0 HE2 LYS A 90 11.667 -2.375 8.836 1.00 12.42 H new ATOM 0 HE3 LYS A 90 11.514 -3.763 7.777 1.00 12.42 H new ATOM 0 HZ1 LYS A 90 13.455 -3.836 9.297 1.00 42.01 H new ATOM 0 HZ2 LYS A 90 13.873 -3.980 7.658 1.00 42.01 H new ATOM 0 HZ3 LYS A 90 14.122 -2.510 8.471 1.00 42.01 H new ATOM 1528 N ARG A 91 8.638 2.116 7.649 1.00 51.20 N ATOM 1529 CA ARG A 91 8.275 3.164 8.597 1.00 73.53 C ATOM 1530 C ARG A 91 6.809 3.557 8.421 1.00 13.25 C ATOM 1531 O ARG A 91 6.080 3.597 9.400 1.00 3.34 O ATOM 1532 CB ARG A 91 9.185 4.422 8.469 1.00 52.02 C ATOM 1533 CG ARG A 91 8.883 5.480 9.555 1.00 72.34 C ATOM 1534 CD ARG A 91 9.779 6.728 9.513 1.00 11.43 C ATOM 1535 NE ARG A 91 9.536 7.572 10.705 1.00 11.52 N ATOM 1536 CZ ARG A 91 9.717 8.903 10.799 1.00 14.51 C ATOM 1537 NH1 ARG A 91 10.154 9.623 9.770 1.00 32.32 N ATOM 1538 NH2 ARG A 91 9.453 9.507 11.954 1.00 14.24 N ATOM 0 H ARG A 91 9.354 2.396 6.978 1.00 51.20 H new ATOM 0 HA ARG A 91 8.424 2.755 9.596 1.00 73.53 H new ATOM 0 HB2 ARG A 91 10.230 4.120 8.540 1.00 52.02 H new ATOM 0 HB3 ARG A 91 9.048 4.867 7.484 1.00 52.02 H new ATOM 0 HG2 ARG A 91 7.844 5.794 9.456 1.00 72.34 H new ATOM 0 HG3 ARG A 91 8.983 5.012 10.534 1.00 72.34 H new ATOM 0 HD2 ARG A 91 10.827 6.431 9.476 1.00 11.43 H new ATOM 0 HD3 ARG A 91 9.577 7.299 8.607 1.00 11.43 H new ATOM 0 HE ARG A 91 9.197 7.096 11.541 1.00 11.52 H new ATOM 0 HH11 ARG A 91 10.361 9.168 8.881 1.00 32.32 H new ATOM 0 HH12 ARG A 91 10.282 10.630 9.870 1.00 32.32 H new ATOM 0 HH21 ARG A 91 9.119 8.963 12.750 1.00 14.24 H new ATOM 0 HH22 ARG A 91 9.584 10.515 12.044 1.00 14.24 H new ATOM 1552 N TRP A 92 6.381 3.826 7.170 1.00 14.40 N ATOM 1553 CA TRP A 92 4.992 4.226 6.884 1.00 40.10 C ATOM 1554 C TRP A 92 3.961 3.173 7.327 1.00 51.21 C ATOM 1555 O TRP A 92 2.870 3.545 7.728 1.00 31.11 O ATOM 1556 CB TRP A 92 4.803 4.564 5.382 1.00 71.13 C ATOM 1557 CG TRP A 92 5.655 5.725 4.914 1.00 62.23 C ATOM 1558 CD1 TRP A 92 6.599 5.714 3.931 1.00 32.41 C ATOM 1559 CD2 TRP A 92 5.634 7.071 5.419 1.00 4.33 C ATOM 1560 NE1 TRP A 92 7.183 6.947 3.813 1.00 75.12 N ATOM 1561 CE2 TRP A 92 6.603 7.799 4.707 1.00 62.23 C ATOM 1562 CE3 TRP A 92 4.893 7.727 6.404 1.00 35.23 C ATOM 1563 CZ2 TRP A 92 6.854 9.144 4.948 1.00 2.40 C ATOM 1564 CZ3 TRP A 92 5.140 9.065 6.641 1.00 3.13 C ATOM 1565 CH2 TRP A 92 6.113 9.761 5.916 1.00 31.55 C ATOM 0 H TRP A 92 6.978 3.773 6.345 1.00 14.40 H new ATOM 0 HA TRP A 92 4.809 5.123 7.475 1.00 40.10 H new ATOM 0 HB2 TRP A 92 5.043 3.683 4.786 1.00 71.13 H new ATOM 0 HB3 TRP A 92 3.754 4.796 5.199 1.00 71.13 H new ATOM 0 HD1 TRP A 92 6.851 4.853 3.329 1.00 32.41 H new ATOM 0 HE1 TRP A 92 7.930 7.189 3.162 1.00 75.12 H new ATOM 0 HE3 TRP A 92 4.141 7.198 6.970 1.00 35.23 H new ATOM 0 HZ2 TRP A 92 7.607 9.682 4.391 1.00 2.40 H new ATOM 0 HZ3 TRP A 92 4.572 9.583 7.399 1.00 3.13 H new ATOM 0 HH2 TRP A 92 6.282 10.807 6.126 1.00 31.55 H new ATOM 1576 N ILE A 93 4.318 1.872 7.258 1.00 25.50 N ATOM 1577 CA ILE A 93 3.432 0.766 7.709 1.00 33.45 C ATOM 1578 C ILE A 93 3.300 0.789 9.239 1.00 63.20 C ATOM 1579 O ILE A 93 2.209 0.582 9.787 1.00 63.02 O ATOM 1580 CB ILE A 93 3.973 -0.630 7.223 1.00 12.35 C ATOM 1581 CG1 ILE A 93 4.016 -0.662 5.667 1.00 44.04 C ATOM 1582 CG2 ILE A 93 3.131 -1.815 7.782 1.00 74.43 C ATOM 1583 CD1 ILE A 93 4.659 -1.896 5.086 1.00 3.42 C ATOM 0 H ILE A 93 5.217 1.557 6.893 1.00 25.50 H new ATOM 0 HA ILE A 93 2.447 0.914 7.266 1.00 33.45 H new ATOM 0 HB ILE A 93 4.983 -0.754 7.614 1.00 12.35 H new ATOM 0 HG12 ILE A 93 2.998 -0.584 5.286 1.00 44.04 H new ATOM 0 HG13 ILE A 93 4.557 0.216 5.313 1.00 44.04 H new ATOM 0 HG21 ILE A 93 3.543 -2.757 7.419 1.00 74.43 H new ATOM 0 HG22 ILE A 93 3.162 -1.801 8.871 1.00 74.43 H new ATOM 0 HG23 ILE A 93 2.098 -1.717 7.447 1.00 74.43 H new ATOM 0 HD11 ILE A 93 4.646 -1.835 3.998 1.00 3.42 H new ATOM 0 HD12 ILE A 93 5.690 -1.967 5.433 1.00 3.42 H new ATOM 0 HD13 ILE A 93 4.106 -2.779 5.406 1.00 3.42 H new ATOM 1595 N LYS A 94 4.434 1.053 9.907 1.00 73.21 N ATOM 1596 CA LYS A 94 4.500 1.247 11.360 1.00 52.42 C ATOM 1597 C LYS A 94 3.618 2.442 11.794 1.00 42.14 C ATOM 1598 O LYS A 94 2.800 2.311 12.700 1.00 22.14 O ATOM 1599 CB LYS A 94 5.986 1.457 11.764 1.00 33.34 C ATOM 1600 CG LYS A 94 6.247 1.620 13.271 1.00 73.45 C ATOM 1601 CD LYS A 94 7.747 1.824 13.603 1.00 13.13 C ATOM 1602 CE LYS A 94 8.639 0.675 13.103 1.00 35.31 C ATOM 1603 NZ LYS A 94 10.064 0.863 13.475 1.00 70.41 N ATOM 0 H LYS A 94 5.340 1.138 9.446 1.00 73.21 H new ATOM 0 HA LYS A 94 4.112 0.366 11.871 1.00 52.42 H new ATOM 0 HB2 LYS A 94 6.566 0.608 11.403 1.00 33.34 H new ATOM 0 HB3 LYS A 94 6.362 2.342 11.250 1.00 33.34 H new ATOM 0 HG2 LYS A 94 5.678 2.472 13.643 1.00 73.45 H new ATOM 0 HG3 LYS A 94 5.880 0.738 13.796 1.00 73.45 H new ATOM 0 HD2 LYS A 94 8.087 2.759 13.159 1.00 13.13 H new ATOM 0 HD3 LYS A 94 7.864 1.923 14.682 1.00 13.13 H new ATOM 0 HE2 LYS A 94 8.279 -0.267 13.517 1.00 35.31 H new ATOM 0 HE3 LYS A 94 8.556 0.599 12.019 1.00 35.31 H new ATOM 0 HZ1 LYS A 94 10.625 0.064 13.116 1.00 70.41 H new ATOM 0 HZ2 LYS A 94 10.417 1.748 13.059 1.00 70.41 H new ATOM 0 HZ3 LYS A 94 10.149 0.909 14.510 1.00 70.41 H new ATOM 1617 N GLU A 95 3.751 3.573 11.075 1.00 4.35 N ATOM 1618 CA GLU A 95 3.011 4.822 11.364 1.00 53.11 C ATOM 1619 C GLU A 95 1.508 4.655 11.074 1.00 13.12 C ATOM 1620 O GLU A 95 0.666 5.191 11.794 1.00 44.02 O ATOM 1621 CB GLU A 95 3.597 5.991 10.524 1.00 32.14 C ATOM 1622 CG GLU A 95 5.088 6.286 10.790 1.00 11.10 C ATOM 1623 CD GLU A 95 5.382 6.692 12.247 1.00 31.41 C ATOM 1624 OE1 GLU A 95 5.307 7.898 12.560 1.00 33.02 O ATOM 1625 OE2 GLU A 95 5.689 5.811 13.085 1.00 74.24 O ATOM 0 H GLU A 95 4.377 3.649 10.273 1.00 4.35 H new ATOM 0 HA GLU A 95 3.125 5.051 12.424 1.00 53.11 H new ATOM 0 HB2 GLU A 95 3.468 5.762 9.466 1.00 32.14 H new ATOM 0 HB3 GLU A 95 3.019 6.893 10.727 1.00 32.14 H new ATOM 0 HG2 GLU A 95 5.675 5.402 10.542 1.00 11.10 H new ATOM 0 HG3 GLU A 95 5.417 7.084 10.125 1.00 11.10 H new ATOM 1632 N PHE A 96 1.216 3.883 10.020 1.00 62.21 N ATOM 1633 CA PHE A 96 -0.149 3.536 9.577 1.00 61.14 C ATOM 1634 C PHE A 96 -0.866 2.688 10.638 1.00 33.13 C ATOM 1635 O PHE A 96 -2.073 2.854 10.884 1.00 42.31 O ATOM 1636 CB PHE A 96 -0.038 2.781 8.233 1.00 74.32 C ATOM 1637 CG PHE A 96 -1.334 2.255 7.644 1.00 34.20 C ATOM 1638 CD1 PHE A 96 -2.284 3.125 7.121 1.00 13.44 C ATOM 1639 CD2 PHE A 96 -1.588 0.886 7.592 1.00 3.04 C ATOM 1640 CE1 PHE A 96 -3.443 2.642 6.565 1.00 11.03 C ATOM 1641 CE2 PHE A 96 -2.750 0.409 7.040 1.00 20.02 C ATOM 1642 CZ PHE A 96 -3.677 1.287 6.530 1.00 34.21 C ATOM 0 H PHE A 96 1.940 3.469 9.432 1.00 62.21 H new ATOM 0 HA PHE A 96 -0.743 4.440 9.441 1.00 61.14 H new ATOM 0 HB2 PHE A 96 0.422 3.448 7.504 1.00 74.32 H new ATOM 0 HB3 PHE A 96 0.641 1.940 8.369 1.00 74.32 H new ATOM 0 HD1 PHE A 96 -2.109 4.190 7.152 1.00 13.44 H new ATOM 0 HD2 PHE A 96 -0.862 0.193 7.991 1.00 3.04 H new ATOM 0 HE1 PHE A 96 -4.171 3.326 6.155 1.00 11.03 H new ATOM 0 HE2 PHE A 96 -2.936 -0.654 7.006 1.00 20.02 H new ATOM 0 HZ PHE A 96 -4.593 0.911 6.100 1.00 34.21 H new ATOM 1652 N SER A 97 -0.090 1.795 11.262 1.00 34.41 N ATOM 1653 CA SER A 97 -0.534 0.980 12.390 1.00 53.34 C ATOM 1654 C SER A 97 -0.828 1.874 13.617 1.00 52.30 C ATOM 1655 O SER A 97 -1.741 1.585 14.394 1.00 65.35 O ATOM 1656 CB SER A 97 0.555 -0.075 12.708 1.00 15.42 C ATOM 1657 OG SER A 97 0.231 -0.856 13.843 1.00 62.35 O ATOM 0 H SER A 97 0.877 1.618 10.991 1.00 34.41 H new ATOM 0 HA SER A 97 -1.459 0.464 12.133 1.00 53.34 H new ATOM 0 HB2 SER A 97 0.687 -0.729 11.846 1.00 15.42 H new ATOM 0 HB3 SER A 97 1.507 0.428 12.876 1.00 15.42 H new ATOM 0 HG SER A 97 0.944 -1.508 14.006 1.00 62.35 H new