USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 914 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 71 GLN : amide:sc= -0.318 K(o=-2.4,f=-1) USER MOD Set 1.2: A 119 SER OG : rot -165:sc= -2.1! USER MOD Set 2.1: A 44 MET CE :methyl -155:sc= -0.0366 (180deg=-0.253) USER MOD Set 2.2: A 99 HIS : no HE2:sc= -1.72! C(o=-1.8!,f=-3.9!) USER MOD Single : A 6 SER OG : rot 25:sc= 0.172 USER MOD Single : A 7 THR OG1 : rot -57:sc= 1.02 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.24 X(o=-1.2,f=-0.78) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.045 USER MOD Single : A 20 SER OG : rot -81:sc= 0.944 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= -0.0159 (180deg=-0.216) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc=-0.00132 (180deg=-0.0756) USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= 0.672 (180deg=0.651) USER MOD Single : A 42 THR OG1 : rot 94:sc= 1.2 USER MOD Single : A 43 THR OG1 : rot -17:sc=0.000317 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= 1.17 (180deg=0.923) USER MOD Single : A 52 ASN : amide:sc= 0.00364 X(o=0.0036,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 156:sc= 1.29 (180deg=1.19) USER MOD Single : A 54 MET CE :methyl -168:sc= -0.145 (180deg=-0.365) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.424 K(o=0.42,f=-1.5!) USER MOD Single : A 70 HIS : no HD1:sc= -0.0165 X(o=-0.017,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0.387 K(o=0.39,f=-5.3!) USER MOD Single : A 83 THR OG1 : rot 77:sc= 1.27 USER MOD Single : A 87 LYS NZ :NH3+ 179:sc= 0.719 (180deg=0.713) USER MOD Single : A 91 LYS NZ :NH3+ -144:sc= -0.0383 (180deg=-0.275) USER MOD Single : A 92 ASN : amide:sc= -0.0628 K(o=-0.063,f=-0.88) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.026 USER MOD Single : A 95 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.72) USER MOD Single : A 96 ASN : amide:sc= -0.594 K(o=-0.59,f=-9.5!) USER MOD Single : A 106 LYS NZ :NH3+ -164:sc= -0.03 (180deg=-0.275) USER MOD Single : A 109 GLN : amide:sc= -0.0339 K(o=-0.034,f=-0.59) USER MOD Single : A 110 LYS NZ :NH3+ 161:sc= -0.101 (180deg=-0.549) USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 112 ASN : amide:sc= 0.929 K(o=0.93,f=-0.011) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -143:sc= 0.762 (180deg=0.171) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N SER A 6 6.729 9.997 -4.058 1.00 0.00 N ATOM 86 CA SER A 6 5.341 10.284 -3.737 1.00 0.00 C ATOM 87 C SER A 6 5.201 10.689 -2.271 1.00 0.00 C ATOM 88 O SER A 6 5.150 9.836 -1.386 1.00 0.00 O ATOM 89 CB SER A 6 4.475 9.061 -4.037 1.00 0.00 C ATOM 90 OG SER A 6 4.680 8.610 -5.368 1.00 0.00 O ATOM 0 HA SER A 6 5.004 11.117 -4.354 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.714 8.261 -3.337 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.424 9.310 -3.891 1.00 0.00 H new ATOM 0 HG SER A 6 5.565 8.895 -5.677 1.00 0.00 H new ATOM 96 N THR A 7 5.162 11.991 -2.024 1.00 0.00 N ATOM 97 CA THR A 7 5.025 12.506 -0.671 1.00 0.00 C ATOM 98 C THR A 7 3.559 12.597 -0.262 1.00 0.00 C ATOM 99 O THR A 7 2.669 12.214 -1.025 1.00 0.00 O ATOM 100 CB THR A 7 5.673 13.897 -0.532 1.00 0.00 C ATOM 101 OG1 THR A 7 5.073 14.822 -1.454 1.00 0.00 O ATOM 102 CG2 THR A 7 7.171 13.826 -0.785 1.00 0.00 C ATOM 0 H THR A 7 5.223 12.710 -2.745 1.00 0.00 H new ATOM 0 HA THR A 7 5.539 11.806 -0.013 1.00 0.00 H new ATOM 0 HB THR A 7 5.506 14.244 0.488 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.165 14.479 -2.368 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.605 14.820 -0.681 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.631 13.152 -0.062 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.352 13.455 -1.794 1.00 0.00 H new ATOM 110 N THR A 8 3.314 13.102 0.940 1.00 0.00 N ATOM 111 CA THR A 8 1.962 13.299 1.436 1.00 0.00 C ATOM 112 C THR A 8 1.136 14.142 0.465 1.00 0.00 C ATOM 113 O THR A 8 -0.016 13.816 0.166 1.00 0.00 O ATOM 114 CB THR A 8 1.987 13.977 2.817 1.00 0.00 C ATOM 115 OG1 THR A 8 2.711 13.158 3.745 1.00 0.00 O ATOM 116 CG2 THR A 8 0.578 14.213 3.327 1.00 0.00 C ATOM 0 H THR A 8 4.044 13.385 1.594 1.00 0.00 H new ATOM 0 HA THR A 8 1.497 12.317 1.527 1.00 0.00 H new ATOM 0 HB THR A 8 2.483 14.943 2.720 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.726 13.594 4.623 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.621 14.693 4.305 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.042 14.857 2.630 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.058 13.259 3.414 1.00 0.00 H new ATOM 124 N GLU A 9 1.745 15.207 -0.036 1.00 0.00 N ATOM 125 CA GLU A 9 1.085 16.112 -0.969 1.00 0.00 C ATOM 126 C GLU A 9 0.606 15.343 -2.206 1.00 0.00 C ATOM 127 O GLU A 9 -0.547 15.474 -2.621 1.00 0.00 O ATOM 128 CB GLU A 9 2.050 17.244 -1.362 1.00 0.00 C ATOM 129 CG GLU A 9 1.385 18.484 -1.943 1.00 0.00 C ATOM 130 CD GLU A 9 0.893 18.302 -3.364 1.00 0.00 C ATOM 131 OE1 GLU A 9 1.733 18.174 -4.282 1.00 0.00 O ATOM 132 OE2 GLU A 9 -0.336 18.311 -3.575 1.00 0.00 O ATOM 0 H GLU A 9 2.705 15.468 0.190 1.00 0.00 H new ATOM 0 HA GLU A 9 0.211 16.552 -0.488 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.622 17.536 -0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.762 16.857 -2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.543 18.765 -1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.094 19.312 -1.917 1.00 0.00 H new ATOM 139 N ASP A 10 1.485 14.512 -2.761 1.00 0.00 N ATOM 140 CA ASP A 10 1.160 13.728 -3.951 1.00 0.00 C ATOM 141 C ASP A 10 0.105 12.683 -3.628 1.00 0.00 C ATOM 142 O ASP A 10 -0.809 12.439 -4.418 1.00 0.00 O ATOM 143 CB ASP A 10 2.400 13.026 -4.514 1.00 0.00 C ATOM 144 CG ASP A 10 3.542 13.976 -4.787 1.00 0.00 C ATOM 145 OD1 ASP A 10 3.585 14.567 -5.889 1.00 0.00 O ATOM 146 OD2 ASP A 10 4.406 14.135 -3.899 1.00 0.00 O ATOM 0 H ASP A 10 2.429 14.364 -2.405 1.00 0.00 H new ATOM 0 HA ASP A 10 0.776 14.421 -4.700 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.730 12.263 -3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.132 12.513 -5.438 1.00 0.00 H new ATOM 151 N LEU A 11 0.230 12.074 -2.456 1.00 0.00 N ATOM 152 CA LEU A 11 -0.676 11.015 -2.049 1.00 0.00 C ATOM 153 C LEU A 11 -2.107 11.531 -1.941 1.00 0.00 C ATOM 154 O LEU A 11 -3.055 10.819 -2.262 1.00 0.00 O ATOM 155 CB LEU A 11 -0.219 10.390 -0.728 1.00 0.00 C ATOM 156 CG LEU A 11 -1.097 9.249 -0.225 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.072 8.091 -1.209 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.643 8.792 1.151 1.00 0.00 C ATOM 0 H LEU A 11 0.952 12.298 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.657 10.241 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.799 10.020 -0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.186 11.168 0.034 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.122 9.611 -0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.703 7.284 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.446 8.427 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.049 7.730 -1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.282 7.977 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.389 8.446 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.710 9.624 1.851 1.00 0.00 H new ATOM 170 N GLN A 12 -2.252 12.786 -1.526 1.00 0.00 N ATOM 171 CA GLN A 12 -3.570 13.401 -1.392 1.00 0.00 C ATOM 172 C GLN A 12 -4.264 13.480 -2.745 1.00 0.00 C ATOM 173 O GLN A 12 -5.482 13.335 -2.839 1.00 0.00 O ATOM 174 CB GLN A 12 -3.461 14.799 -0.784 1.00 0.00 C ATOM 175 CG GLN A 12 -3.038 14.817 0.675 1.00 0.00 C ATOM 176 CD GLN A 12 -2.977 16.221 1.238 1.00 0.00 C ATOM 177 OE1 GLN A 12 -3.706 17.110 0.801 1.00 0.00 O ATOM 178 NE2 GLN A 12 -2.116 16.427 2.218 1.00 0.00 N ATOM 0 H GLN A 12 -1.474 13.397 -1.277 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.163 12.776 -0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.744 15.380 -1.365 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.425 15.298 -0.876 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.739 14.223 1.262 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.060 14.346 0.773 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.530 15.662 2.551 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.037 17.351 2.642 1.00 0.00 H new ATOM 187 N ARG A 13 -3.477 13.707 -3.787 1.00 0.00 N ATOM 188 CA ARG A 13 -3.988 13.737 -5.148 1.00 0.00 C ATOM 189 C ARG A 13 -4.628 12.407 -5.518 1.00 0.00 C ATOM 190 O ARG A 13 -5.784 12.352 -5.939 1.00 0.00 O ATOM 191 CB ARG A 13 -2.859 14.036 -6.133 1.00 0.00 C ATOM 192 CG ARG A 13 -3.255 13.812 -7.581 1.00 0.00 C ATOM 193 CD ARG A 13 -2.073 13.958 -8.515 1.00 0.00 C ATOM 194 NE ARG A 13 -2.404 13.552 -9.878 1.00 0.00 N ATOM 195 CZ ARG A 13 -1.662 13.847 -10.944 1.00 0.00 C ATOM 196 NH1 ARG A 13 -0.537 14.536 -10.802 1.00 0.00 N ATOM 197 NH2 ARG A 13 -2.041 13.448 -12.150 1.00 0.00 N ATOM 0 H ARG A 13 -2.474 13.874 -3.713 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.741 14.523 -5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.539 15.070 -6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.002 13.406 -5.896 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.684 12.816 -7.691 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.030 14.526 -7.861 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.737 14.995 -8.516 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.243 13.354 -8.148 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.255 13.009 -10.023 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.239 14.841 -9.875 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.030 14.761 -11.620 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.903 12.914 -12.263 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.471 13.675 -12.965 1.00 0.00 H new ATOM 211 N TYR A 14 -3.865 11.336 -5.340 1.00 0.00 N ATOM 212 CA TYR A 14 -4.276 10.018 -5.795 1.00 0.00 C ATOM 213 C TYR A 14 -5.509 9.524 -5.054 1.00 0.00 C ATOM 214 O TYR A 14 -6.309 8.775 -5.615 1.00 0.00 O ATOM 215 CB TYR A 14 -3.129 9.019 -5.648 1.00 0.00 C ATOM 216 CG TYR A 14 -1.858 9.475 -6.338 1.00 0.00 C ATOM 217 CD1 TYR A 14 -0.641 9.476 -5.672 1.00 0.00 C ATOM 218 CD2 TYR A 14 -1.882 9.928 -7.653 1.00 0.00 C ATOM 219 CE1 TYR A 14 0.515 9.909 -6.293 1.00 0.00 C ATOM 220 CE2 TYR A 14 -0.728 10.358 -8.282 1.00 0.00 C ATOM 221 CZ TYR A 14 0.467 10.348 -7.595 1.00 0.00 C ATOM 222 OH TYR A 14 1.621 10.782 -8.212 1.00 0.00 O ATOM 0 H TYR A 14 -2.954 11.357 -4.881 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.538 10.103 -6.850 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.925 8.861 -4.589 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.436 8.058 -6.061 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.596 9.132 -4.649 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.818 9.944 -8.192 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.453 9.903 -5.757 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.763 10.700 -9.306 1.00 0.00 H new ATOM 0 HH TYR A 14 1.417 11.058 -9.130 1.00 0.00 H new ATOM 232 N ARG A 15 -5.677 9.951 -3.805 1.00 0.00 N ATOM 233 CA ARG A 15 -6.869 9.586 -3.057 1.00 0.00 C ATOM 234 C ARG A 15 -8.106 10.109 -3.778 1.00 0.00 C ATOM 235 O ARG A 15 -9.097 9.402 -3.911 1.00 0.00 O ATOM 236 CB ARG A 15 -6.865 10.129 -1.623 1.00 0.00 C ATOM 237 CG ARG A 15 -5.557 9.954 -0.868 1.00 0.00 C ATOM 238 CD ARG A 15 -5.756 10.213 0.623 1.00 0.00 C ATOM 239 NE ARG A 15 -4.496 10.234 1.369 1.00 0.00 N ATOM 240 CZ ARG A 15 -4.344 9.699 2.587 1.00 0.00 C ATOM 241 NH1 ARG A 15 -5.308 8.953 3.116 1.00 0.00 N ATOM 242 NH2 ARG A 15 -3.206 9.866 3.251 1.00 0.00 N ATOM 0 H ARG A 15 -5.014 10.539 -3.300 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.882 8.498 -2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.109 11.191 -1.653 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.659 9.635 -1.062 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.176 8.944 -1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.808 10.639 -1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.268 11.166 0.756 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.405 9.442 1.037 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.688 10.682 0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.168 8.786 2.594 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.188 8.547 4.044 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.446 10.403 2.833 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.092 9.458 4.179 1.00 0.00 H new ATOM 256 N THR A 16 -8.024 11.336 -4.277 1.00 0.00 N ATOM 257 CA THR A 16 -9.154 11.982 -4.926 1.00 0.00 C ATOM 258 C THR A 16 -9.555 11.250 -6.203 1.00 0.00 C ATOM 259 O THR A 16 -10.740 10.987 -6.432 1.00 0.00 O ATOM 260 CB THR A 16 -8.820 13.437 -5.281 1.00 0.00 C ATOM 261 OG1 THR A 16 -7.944 13.995 -4.295 1.00 0.00 O ATOM 262 CG2 THR A 16 -10.084 14.271 -5.365 1.00 0.00 C ATOM 0 H THR A 16 -7.179 11.906 -4.243 1.00 0.00 H new ATOM 0 HA THR A 16 -9.984 11.955 -4.220 1.00 0.00 H new ATOM 0 HB THR A 16 -8.326 13.447 -6.253 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.735 14.923 -4.531 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.825 15.299 -5.618 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.739 13.862 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.597 14.252 -4.404 1.00 0.00 H new ATOM 270 N GLU A 17 -8.566 10.919 -7.030 1.00 0.00 N ATOM 271 CA GLU A 17 -8.832 10.245 -8.297 1.00 0.00 C ATOM 272 C GLU A 17 -9.445 8.868 -8.056 1.00 0.00 C ATOM 273 O GLU A 17 -10.347 8.447 -8.780 1.00 0.00 O ATOM 274 CB GLU A 17 -7.558 10.104 -9.147 1.00 0.00 C ATOM 275 CG GLU A 17 -6.660 11.333 -9.133 1.00 0.00 C ATOM 276 CD GLU A 17 -5.511 11.222 -10.118 1.00 0.00 C ATOM 277 OE1 GLU A 17 -4.373 11.592 -9.766 1.00 0.00 O ATOM 278 OE2 GLU A 17 -5.740 10.751 -11.255 1.00 0.00 O ATOM 0 H GLU A 17 -7.580 11.105 -6.847 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.540 10.864 -8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.988 9.247 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.844 9.888 -10.177 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.254 12.216 -9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.261 11.477 -8.129 1.00 0.00 H new ATOM 285 N CYS A 18 -8.980 8.183 -7.022 1.00 0.00 N ATOM 286 CA CYS A 18 -9.491 6.858 -6.702 1.00 0.00 C ATOM 287 C CYS A 18 -10.846 6.940 -6.008 1.00 0.00 C ATOM 288 O CYS A 18 -11.690 6.060 -6.176 1.00 0.00 O ATOM 289 CB CYS A 18 -8.497 6.093 -5.838 1.00 0.00 C ATOM 290 SG CYS A 18 -6.935 5.726 -6.695 1.00 0.00 S ATOM 0 H CYS A 18 -8.252 8.521 -6.392 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.625 6.319 -7.640 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.284 6.674 -4.941 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.953 5.158 -5.512 1.00 0.00 H new ATOM 295 N VAL A 19 -11.063 8.011 -5.256 1.00 0.00 N ATOM 296 CA VAL A 19 -12.314 8.199 -4.543 1.00 0.00 C ATOM 297 C VAL A 19 -13.455 8.416 -5.523 1.00 0.00 C ATOM 298 O VAL A 19 -14.476 7.728 -5.474 1.00 0.00 O ATOM 299 CB VAL A 19 -12.236 9.377 -3.541 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.617 9.945 -3.253 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.575 8.919 -2.250 1.00 0.00 C ATOM 0 H VAL A 19 -10.386 8.763 -5.126 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.503 7.291 -3.970 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.635 10.167 -3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.531 10.771 -2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.063 10.306 -4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.249 9.166 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.524 9.754 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.159 8.111 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.567 8.563 -2.464 1.00 0.00 H new ATOM 311 N SER A 20 -13.256 9.356 -6.424 1.00 0.00 N ATOM 312 CA SER A 20 -14.266 9.699 -7.408 1.00 0.00 C ATOM 313 C SER A 20 -14.513 8.547 -8.387 1.00 0.00 C ATOM 314 O SER A 20 -15.652 8.291 -8.782 1.00 0.00 O ATOM 315 CB SER A 20 -13.825 10.957 -8.148 1.00 0.00 C ATOM 316 OG SER A 20 -12.481 10.839 -8.586 1.00 0.00 O ATOM 0 H SER A 20 -12.397 9.901 -6.496 1.00 0.00 H new ATOM 0 HA SER A 20 -15.210 9.886 -6.896 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.477 11.128 -9.004 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.924 11.823 -7.493 1.00 0.00 H new ATOM 0 HG SER A 20 -11.876 11.037 -7.841 1.00 0.00 H new ATOM 322 N SER A 21 -13.448 7.837 -8.753 1.00 0.00 N ATOM 323 CA SER A 21 -13.547 6.749 -9.715 1.00 0.00 C ATOM 324 C SER A 21 -14.258 5.542 -9.108 1.00 0.00 C ATOM 325 O SER A 21 -15.179 4.987 -9.710 1.00 0.00 O ATOM 326 CB SER A 21 -12.149 6.348 -10.191 1.00 0.00 C ATOM 327 OG SER A 21 -12.205 5.351 -11.201 1.00 0.00 O ATOM 0 H SER A 21 -12.506 7.998 -8.396 1.00 0.00 H new ATOM 0 HA SER A 21 -14.134 7.096 -10.565 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.629 7.226 -10.574 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.569 5.978 -9.346 1.00 0.00 H new ATOM 0 HG SER A 21 -11.295 5.120 -11.483 1.00 0.00 H new ATOM 333 N LEU A 22 -13.841 5.145 -7.910 1.00 0.00 N ATOM 334 CA LEU A 22 -14.390 3.956 -7.268 1.00 0.00 C ATOM 335 C LEU A 22 -15.645 4.280 -6.461 1.00 0.00 C ATOM 336 O LEU A 22 -16.127 3.445 -5.696 1.00 0.00 O ATOM 337 CB LEU A 22 -13.333 3.319 -6.367 1.00 0.00 C ATOM 338 CG LEU A 22 -12.132 2.739 -7.108 1.00 0.00 C ATOM 339 CD1 LEU A 22 -11.032 2.381 -6.129 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.547 1.514 -7.899 1.00 0.00 C ATOM 0 H LEU A 22 -13.126 5.628 -7.365 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.674 3.252 -8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.979 4.068 -5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.801 2.526 -5.784 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.752 3.492 -7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.182 1.968 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.719 3.275 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.403 1.641 -5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.681 1.109 -8.423 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.945 0.760 -7.220 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.313 1.791 -8.623 1.00 0.00 H new ATOM 352 N ASN A 23 -16.163 5.497 -6.640 1.00 0.00 N ATOM 353 CA ASN A 23 -17.395 5.941 -5.974 1.00 0.00 C ATOM 354 C ASN A 23 -17.304 5.795 -4.454 1.00 0.00 C ATOM 355 O ASN A 23 -18.305 5.530 -3.783 1.00 0.00 O ATOM 356 CB ASN A 23 -18.601 5.162 -6.502 1.00 0.00 C ATOM 357 CG ASN A 23 -18.822 5.364 -7.989 1.00 0.00 C ATOM 358 OD1 ASN A 23 -18.280 4.629 -8.818 1.00 0.00 O ATOM 359 ND2 ASN A 23 -19.617 6.362 -8.340 1.00 0.00 N ATOM 0 H ASN A 23 -15.745 6.202 -7.247 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.523 6.999 -6.202 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.459 4.100 -6.301 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.495 5.472 -5.960 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -19.800 6.545 -9.327 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -20.047 6.948 -7.624 1.00 0.00 H new ATOM 366 N ILE A 24 -16.100 5.980 -3.923 1.00 0.00 N ATOM 367 CA ILE A 24 -15.845 5.852 -2.496 1.00 0.00 C ATOM 368 C ILE A 24 -16.633 6.897 -1.708 1.00 0.00 C ATOM 369 O ILE A 24 -16.535 8.094 -1.986 1.00 0.00 O ATOM 370 CB ILE A 24 -14.343 6.032 -2.187 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.483 5.129 -3.086 1.00 0.00 C ATOM 372 CG2 ILE A 24 -14.066 5.739 -0.717 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.692 3.645 -2.867 1.00 0.00 C ATOM 0 H ILE A 24 -15.275 6.223 -4.471 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.162 4.852 -2.198 1.00 0.00 H new ATOM 0 HB ILE A 24 -14.075 7.068 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.699 5.364 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.432 5.364 -2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -13.003 5.870 -0.514 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.641 6.424 -0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.355 4.713 -0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.046 3.083 -3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.447 3.391 -1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.733 3.391 -3.066 1.00 0.00 H new ATOM 385 N PRO A 25 -17.437 6.450 -0.730 1.00 0.00 N ATOM 386 CA PRO A 25 -18.177 7.345 0.161 1.00 0.00 C ATOM 387 C PRO A 25 -17.242 8.192 1.014 1.00 0.00 C ATOM 388 O PRO A 25 -16.177 7.737 1.445 1.00 0.00 O ATOM 389 CB PRO A 25 -18.996 6.402 1.048 1.00 0.00 C ATOM 390 CG PRO A 25 -18.961 5.077 0.375 1.00 0.00 C ATOM 391 CD PRO A 25 -17.691 5.035 -0.425 1.00 0.00 C ATOM 0 HA PRO A 25 -18.792 8.051 -0.397 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.572 6.342 2.050 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -20.020 6.758 1.156 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.984 4.270 1.107 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.830 4.947 -0.270 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.872 4.593 0.143 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.807 4.442 -1.332 1.00 0.00 H new ATOM 399 N ALA A 26 -17.664 9.432 1.249 1.00 0.00 N ATOM 400 CA ALA A 26 -16.876 10.414 1.982 1.00 0.00 C ATOM 401 C ALA A 26 -16.523 9.927 3.382 1.00 0.00 C ATOM 402 O ALA A 26 -15.483 10.291 3.925 1.00 0.00 O ATOM 403 CB ALA A 26 -17.641 11.719 2.063 1.00 0.00 C ATOM 0 H ALA A 26 -18.568 9.784 0.933 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.941 10.566 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.051 12.453 2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.836 12.089 1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.587 11.555 2.579 1.00 0.00 H new ATOM 409 N ASP A 27 -17.404 9.116 3.959 1.00 0.00 N ATOM 410 CA ASP A 27 -17.166 8.515 5.269 1.00 0.00 C ATOM 411 C ASP A 27 -15.834 7.770 5.297 1.00 0.00 C ATOM 412 O ASP A 27 -15.013 7.977 6.193 1.00 0.00 O ATOM 413 CB ASP A 27 -18.299 7.558 5.632 1.00 0.00 C ATOM 414 CG ASP A 27 -18.080 6.877 6.969 1.00 0.00 C ATOM 415 OD1 ASP A 27 -18.302 7.524 8.014 1.00 0.00 O ATOM 416 OD2 ASP A 27 -17.691 5.691 6.985 1.00 0.00 O ATOM 0 H ASP A 27 -18.296 8.858 3.537 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.129 9.320 6.003 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.240 8.108 5.658 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.394 6.801 4.854 1.00 0.00 H new ATOM 421 N TYR A 28 -15.621 6.908 4.304 1.00 0.00 N ATOM 422 CA TYR A 28 -14.373 6.174 4.182 1.00 0.00 C ATOM 423 C TYR A 28 -13.184 7.115 4.013 1.00 0.00 C ATOM 424 O TYR A 28 -12.105 6.851 4.533 1.00 0.00 O ATOM 425 CB TYR A 28 -14.447 5.192 3.014 1.00 0.00 C ATOM 426 CG TYR A 28 -15.155 3.903 3.364 1.00 0.00 C ATOM 427 CD1 TYR A 28 -16.540 3.815 3.322 1.00 0.00 C ATOM 428 CD2 TYR A 28 -14.438 2.774 3.744 1.00 0.00 C ATOM 429 CE1 TYR A 28 -17.190 2.642 3.647 1.00 0.00 C ATOM 430 CE2 TYR A 28 -15.082 1.597 4.070 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.457 1.536 4.020 1.00 0.00 C ATOM 432 OH TYR A 28 -17.101 0.366 4.351 1.00 0.00 O ATOM 0 H TYR A 28 -16.302 6.704 3.573 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.224 5.615 5.106 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.963 5.668 2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.437 4.964 2.675 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -17.118 4.679 3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -13.360 2.818 3.785 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -18.268 2.591 3.609 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -14.510 0.729 4.363 1.00 0.00 H new ATOM 0 HH TYR A 28 -16.439 -0.316 4.589 1.00 0.00 H new ATOM 442 N VAL A 29 -13.393 8.214 3.297 1.00 0.00 N ATOM 443 CA VAL A 29 -12.341 9.199 3.068 1.00 0.00 C ATOM 444 C VAL A 29 -11.820 9.772 4.390 1.00 0.00 C ATOM 445 O VAL A 29 -10.607 9.887 4.592 1.00 0.00 O ATOM 446 CB VAL A 29 -12.842 10.338 2.165 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.741 11.357 1.921 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.351 9.775 0.851 1.00 0.00 C ATOM 0 H VAL A 29 -14.286 8.446 2.863 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.520 8.688 2.566 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.664 10.846 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.118 12.154 1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.419 11.779 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.895 10.870 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.704 10.590 0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.544 9.246 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.172 9.085 1.045 1.00 0.00 H new ATOM 458 N GLU A 30 -12.739 10.110 5.294 1.00 0.00 N ATOM 459 CA GLU A 30 -12.371 10.632 6.613 1.00 0.00 C ATOM 460 C GLU A 30 -11.568 9.596 7.391 1.00 0.00 C ATOM 461 O GLU A 30 -10.693 9.936 8.193 1.00 0.00 O ATOM 462 CB GLU A 30 -13.613 11.015 7.410 1.00 0.00 C ATOM 463 CG GLU A 30 -14.655 11.733 6.577 1.00 0.00 C ATOM 464 CD GLU A 30 -15.848 12.185 7.392 1.00 0.00 C ATOM 465 OE1 GLU A 30 -16.994 12.027 6.915 1.00 0.00 O ATOM 466 OE2 GLU A 30 -15.650 12.690 8.517 1.00 0.00 O ATOM 0 H GLU A 30 -13.744 10.032 5.139 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.760 11.522 6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.055 10.115 7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.320 11.653 8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.198 12.600 6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.995 11.072 5.780 1.00 0.00 H new ATOM 473 N LYS A 31 -11.873 8.329 7.152 1.00 0.00 N ATOM 474 CA LYS A 31 -11.141 7.239 7.778 1.00 0.00 C ATOM 475 C LYS A 31 -9.707 7.195 7.267 1.00 0.00 C ATOM 476 O LYS A 31 -8.760 7.242 8.051 1.00 0.00 O ATOM 477 CB LYS A 31 -11.816 5.895 7.510 1.00 0.00 C ATOM 478 CG LYS A 31 -13.222 5.806 8.065 1.00 0.00 C ATOM 479 CD LYS A 31 -13.774 4.398 7.961 1.00 0.00 C ATOM 480 CE LYS A 31 -15.217 4.346 8.445 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.339 4.763 9.869 1.00 0.00 N ATOM 0 H LYS A 31 -12.623 8.031 6.528 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.137 7.421 8.853 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.846 5.720 6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.211 5.100 7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.223 6.122 9.108 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.872 6.493 7.523 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.720 4.057 6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.162 3.718 8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.833 4.995 7.822 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.603 3.333 8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.294 4.539 10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.635 4.255 10.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.174 5.787 9.946 1.00 0.00 H new ATOM 495 N PHE A 32 -9.559 7.129 5.947 1.00 0.00 N ATOM 496 CA PHE A 32 -8.252 7.012 5.303 1.00 0.00 C ATOM 497 C PHE A 32 -7.333 8.165 5.701 1.00 0.00 C ATOM 498 O PHE A 32 -6.118 7.995 5.827 1.00 0.00 O ATOM 499 CB PHE A 32 -8.409 6.983 3.781 1.00 0.00 C ATOM 500 CG PHE A 32 -9.370 5.938 3.281 1.00 0.00 C ATOM 501 CD1 PHE A 32 -10.141 6.172 2.153 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.506 4.726 3.937 1.00 0.00 C ATOM 503 CE1 PHE A 32 -11.027 5.218 1.691 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.391 3.770 3.480 1.00 0.00 C ATOM 505 CZ PHE A 32 -11.151 4.015 2.355 1.00 0.00 C ATOM 0 H PHE A 32 -10.341 7.155 5.293 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.800 6.079 5.639 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.746 7.963 3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.432 6.809 3.329 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.048 7.112 1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.912 4.526 4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.622 5.414 0.811 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.488 2.830 4.003 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.842 3.267 1.995 1.00 0.00 H new ATOM 515 N LYS A 33 -7.923 9.337 5.901 1.00 0.00 N ATOM 516 CA LYS A 33 -7.183 10.517 6.323 1.00 0.00 C ATOM 517 C LYS A 33 -6.503 10.254 7.669 1.00 0.00 C ATOM 518 O LYS A 33 -5.367 10.672 7.898 1.00 0.00 O ATOM 519 CB LYS A 33 -8.144 11.710 6.427 1.00 0.00 C ATOM 520 CG LYS A 33 -7.524 13.073 6.118 1.00 0.00 C ATOM 521 CD LYS A 33 -6.523 13.506 7.178 1.00 0.00 C ATOM 522 CE LYS A 33 -6.000 14.912 6.920 1.00 0.00 C ATOM 523 NZ LYS A 33 -5.262 15.012 5.631 1.00 0.00 N ATOM 0 H LYS A 33 -8.923 9.495 5.776 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.411 10.747 5.588 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.978 11.545 5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.557 11.737 7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.028 13.032 5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.314 13.820 6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.994 13.468 8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.688 12.805 7.198 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.835 15.612 6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.342 15.208 7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.824 15.952 5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.522 14.282 5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.923 14.872 4.841 1.00 0.00 H new ATOM 537 N LYS A 34 -7.190 9.526 8.544 1.00 0.00 N ATOM 538 CA LYS A 34 -6.663 9.226 9.873 1.00 0.00 C ATOM 539 C LYS A 34 -6.012 7.843 9.919 1.00 0.00 C ATOM 540 O LYS A 34 -5.948 7.215 10.982 1.00 0.00 O ATOM 541 CB LYS A 34 -7.774 9.302 10.924 1.00 0.00 C ATOM 542 CG LYS A 34 -8.353 10.694 11.107 1.00 0.00 C ATOM 543 CD LYS A 34 -9.303 10.751 12.294 1.00 0.00 C ATOM 544 CE LYS A 34 -10.418 9.721 12.184 1.00 0.00 C ATOM 545 NZ LYS A 34 -11.281 9.954 10.998 1.00 0.00 N ATOM 0 H LYS A 34 -8.112 9.133 8.358 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.902 9.974 10.096 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.576 8.620 10.641 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.381 8.954 11.879 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.544 11.410 11.253 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.882 10.991 10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.744 10.582 13.214 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.737 11.749 12.363 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.984 8.723 12.125 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.028 9.750 13.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.066 9.271 11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.663 10.921 11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.720 9.833 10.131 1.00 0.00 H new ATOM 559 N TRP A 35 -5.524 7.383 8.768 1.00 0.00 N ATOM 560 CA TRP A 35 -4.884 6.071 8.647 1.00 0.00 C ATOM 561 C TRP A 35 -5.793 4.937 9.132 1.00 0.00 C ATOM 562 O TRP A 35 -5.340 3.996 9.789 1.00 0.00 O ATOM 563 CB TRP A 35 -3.560 6.047 9.415 1.00 0.00 C ATOM 564 CG TRP A 35 -2.519 6.968 8.852 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.340 8.284 9.163 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.509 6.645 7.885 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.284 8.799 8.456 1.00 0.00 N ATOM 568 CE2 TRP A 35 -0.758 7.815 7.663 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.164 5.484 7.186 1.00 0.00 C ATOM 570 CZ2 TRP A 35 0.313 7.857 6.776 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.102 5.528 6.305 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.627 6.706 6.106 1.00 0.00 C ATOM 0 H TRP A 35 -5.560 7.907 7.894 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.690 5.906 7.587 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.748 6.318 10.454 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.169 5.029 9.416 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.943 8.840 9.865 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.945 9.760 8.512 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.719 4.569 7.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.876 8.765 6.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 0.171 4.637 5.759 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.453 6.707 5.410 1.00 0.00 H new ATOM 583 N GLU A 36 -7.073 5.030 8.808 1.00 0.00 N ATOM 584 CA GLU A 36 -8.025 3.979 9.136 1.00 0.00 C ATOM 585 C GLU A 36 -8.389 3.209 7.882 1.00 0.00 C ATOM 586 O GLU A 36 -9.045 3.741 6.988 1.00 0.00 O ATOM 587 CB GLU A 36 -9.300 4.550 9.752 1.00 0.00 C ATOM 588 CG GLU A 36 -9.116 5.233 11.090 1.00 0.00 C ATOM 589 CD GLU A 36 -10.440 5.670 11.686 1.00 0.00 C ATOM 590 OE1 GLU A 36 -11.012 4.902 12.492 1.00 0.00 O ATOM 591 OE2 GLU A 36 -10.926 6.767 11.344 1.00 0.00 O ATOM 0 H GLU A 36 -7.479 5.826 8.316 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.553 3.319 9.864 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.734 5.265 9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.022 3.742 9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.614 4.554 11.779 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.468 6.101 10.969 1.00 0.00 H new ATOM 598 N PHE A 37 -7.964 1.962 7.812 1.00 0.00 N ATOM 599 CA PHE A 37 -8.245 1.138 6.648 1.00 0.00 C ATOM 600 C PHE A 37 -8.997 -0.123 7.057 1.00 0.00 C ATOM 601 O PHE A 37 -8.387 -1.176 7.248 1.00 0.00 O ATOM 602 CB PHE A 37 -6.944 0.759 5.925 1.00 0.00 C ATOM 603 CG PHE A 37 -6.054 1.934 5.625 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.070 2.317 6.522 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.204 2.660 4.454 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.253 3.399 6.259 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.389 3.743 4.186 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.413 4.114 5.089 1.00 0.00 C ATOM 0 H PHE A 37 -7.425 1.497 8.543 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.868 1.716 5.966 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.394 0.045 6.537 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.192 0.254 4.991 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.940 1.762 7.439 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.966 2.376 3.743 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.490 3.685 6.968 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.516 4.300 3.269 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.776 4.961 4.881 1.00 0.00 H new ATOM 618 N PRO A 38 -10.328 -0.026 7.210 1.00 0.00 N ATOM 619 CA PRO A 38 -11.173 -1.170 7.570 1.00 0.00 C ATOM 620 C PRO A 38 -11.084 -2.299 6.554 1.00 0.00 C ATOM 621 O PRO A 38 -10.871 -2.063 5.359 1.00 0.00 O ATOM 622 CB PRO A 38 -12.586 -0.586 7.582 1.00 0.00 C ATOM 623 CG PRO A 38 -12.389 0.873 7.786 1.00 0.00 C ATOM 624 CD PRO A 38 -11.123 1.203 7.046 1.00 0.00 C ATOM 0 HA PRO A 38 -10.869 -1.610 8.520 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.106 -0.788 6.646 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.187 -1.020 8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.233 1.443 7.398 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.301 1.115 8.845 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.313 1.426 5.996 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.620 2.072 7.470 1.00 0.00 H new ATOM 632 N GLU A 39 -11.245 -3.521 7.037 1.00 0.00 N ATOM 633 CA GLU A 39 -11.229 -4.694 6.181 1.00 0.00 C ATOM 634 C GLU A 39 -12.549 -4.797 5.423 1.00 0.00 C ATOM 635 O GLU A 39 -13.450 -5.557 5.787 1.00 0.00 O ATOM 636 CB GLU A 39 -10.955 -5.954 7.005 1.00 0.00 C ATOM 637 CG GLU A 39 -10.798 -7.215 6.171 1.00 0.00 C ATOM 638 CD GLU A 39 -10.376 -8.415 6.995 1.00 0.00 C ATOM 639 OE1 GLU A 39 -9.158 -8.629 7.163 1.00 0.00 O ATOM 640 OE2 GLU A 39 -11.261 -9.153 7.474 1.00 0.00 O ATOM 0 H GLU A 39 -11.389 -3.726 8.026 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.424 -4.598 5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.048 -5.803 7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.771 -6.098 7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.742 -7.436 5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.059 -7.039 5.389 1.00 0.00 H new ATOM 647 N ASP A 40 -12.650 -4.001 4.374 1.00 0.00 N ATOM 648 CA ASP A 40 -13.854 -3.912 3.562 1.00 0.00 C ATOM 649 C ASP A 40 -13.458 -3.778 2.103 1.00 0.00 C ATOM 650 O ASP A 40 -12.462 -3.129 1.783 1.00 0.00 O ATOM 651 CB ASP A 40 -14.694 -2.701 3.988 1.00 0.00 C ATOM 652 CG ASP A 40 -15.993 -2.593 3.214 1.00 0.00 C ATOM 653 OD1 ASP A 40 -15.999 -2.000 2.117 1.00 0.00 O ATOM 654 OD2 ASP A 40 -17.023 -3.103 3.701 1.00 0.00 O ATOM 0 H ASP A 40 -11.894 -3.393 4.058 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.451 -4.813 3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.915 -2.773 5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.112 -1.791 3.844 1.00 0.00 H new ATOM 659 N ASP A 41 -14.251 -4.394 1.229 1.00 0.00 N ATOM 660 CA ASP A 41 -13.927 -4.493 -0.195 1.00 0.00 C ATOM 661 C ASP A 41 -13.812 -3.115 -0.843 1.00 0.00 C ATOM 662 O ASP A 41 -13.110 -2.952 -1.841 1.00 0.00 O ATOM 663 CB ASP A 41 -14.970 -5.339 -0.940 1.00 0.00 C ATOM 664 CG ASP A 41 -16.352 -4.717 -0.941 1.00 0.00 C ATOM 665 OD1 ASP A 41 -17.045 -4.780 0.100 1.00 0.00 O ATOM 666 OD2 ASP A 41 -16.763 -4.175 -1.987 1.00 0.00 O ATOM 0 H ASP A 41 -15.133 -4.837 1.485 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.957 -4.985 -0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.643 -5.484 -1.970 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.023 -6.326 -0.481 1.00 0.00 H new ATOM 671 N THR A 42 -14.496 -2.131 -0.270 1.00 0.00 N ATOM 672 CA THR A 42 -14.404 -0.756 -0.739 1.00 0.00 C ATOM 673 C THR A 42 -12.989 -0.215 -0.533 1.00 0.00 C ATOM 674 O THR A 42 -12.335 0.231 -1.480 1.00 0.00 O ATOM 675 CB THR A 42 -15.404 0.131 0.018 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.689 -0.504 0.042 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.518 1.496 -0.630 1.00 0.00 C ATOM 0 H THR A 42 -15.123 -2.263 0.524 1.00 0.00 H new ATOM 0 HA THR A 42 -14.641 -0.741 -1.803 1.00 0.00 H new ATOM 0 HB THR A 42 -15.042 0.266 1.037 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.781 -1.026 0.866 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.232 2.104 -0.075 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.544 1.984 -0.624 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.860 1.383 -1.659 1.00 0.00 H new ATOM 685 N THR A 43 -12.528 -0.273 0.712 1.00 0.00 N ATOM 686 CA THR A 43 -11.179 0.142 1.074 1.00 0.00 C ATOM 687 C THR A 43 -10.130 -0.617 0.261 1.00 0.00 C ATOM 688 O THR A 43 -9.094 -0.067 -0.109 1.00 0.00 O ATOM 689 CB THR A 43 -10.926 -0.114 2.573 1.00 0.00 C ATOM 690 OG1 THR A 43 -11.956 0.506 3.355 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.564 0.419 2.999 1.00 0.00 C ATOM 0 H THR A 43 -13.081 -0.610 1.500 1.00 0.00 H new ATOM 0 HA THR A 43 -11.094 1.207 0.858 1.00 0.00 H new ATOM 0 HB THR A 43 -10.939 -1.191 2.740 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.430 1.166 2.807 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.413 0.224 4.061 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.783 -0.078 2.424 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.520 1.493 2.817 1.00 0.00 H new ATOM 699 N MET A 44 -10.421 -1.876 -0.031 1.00 0.00 N ATOM 700 CA MET A 44 -9.474 -2.747 -0.711 1.00 0.00 C ATOM 701 C MET A 44 -9.188 -2.270 -2.129 1.00 0.00 C ATOM 702 O MET A 44 -8.032 -2.081 -2.507 1.00 0.00 O ATOM 703 CB MET A 44 -10.002 -4.177 -0.728 1.00 0.00 C ATOM 704 CG MET A 44 -10.206 -4.749 0.661 1.00 0.00 C ATOM 705 SD MET A 44 -10.953 -6.383 0.648 1.00 0.00 S ATOM 706 CE MET A 44 -11.132 -6.651 2.407 1.00 0.00 C ATOM 0 H MET A 44 -11.312 -2.319 0.194 1.00 0.00 H new ATOM 0 HA MET A 44 -8.534 -2.716 -0.160 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.948 -4.203 -1.268 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.304 -4.810 -1.277 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.244 -4.800 1.171 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.837 -4.072 1.237 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.150 -7.721 2.612 1.00 0.00 H new ATOM 0 HE2 MET A 44 -10.292 -6.195 2.932 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.063 -6.200 2.751 1.00 0.00 H new ATOM 716 N CYS A 45 -10.240 -2.067 -2.915 1.00 0.00 N ATOM 717 CA CYS A 45 -10.075 -1.587 -4.283 1.00 0.00 C ATOM 718 C CYS A 45 -9.496 -0.178 -4.282 1.00 0.00 C ATOM 719 O CYS A 45 -8.757 0.198 -5.192 1.00 0.00 O ATOM 720 CB CYS A 45 -11.405 -1.621 -5.044 1.00 0.00 C ATOM 721 SG CYS A 45 -12.122 -3.292 -5.207 1.00 0.00 S ATOM 0 H CYS A 45 -11.207 -2.225 -2.632 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.379 -2.252 -4.795 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.121 -0.977 -4.533 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.254 -1.203 -6.039 1.00 0.00 H new ATOM 726 N TYR A 46 -9.818 0.589 -3.244 1.00 0.00 N ATOM 727 CA TYR A 46 -9.269 1.925 -3.078 1.00 0.00 C ATOM 728 C TYR A 46 -7.748 1.866 -2.990 1.00 0.00 C ATOM 729 O TYR A 46 -7.048 2.592 -3.693 1.00 0.00 O ATOM 730 CB TYR A 46 -9.863 2.573 -1.827 1.00 0.00 C ATOM 731 CG TYR A 46 -9.114 3.802 -1.356 1.00 0.00 C ATOM 732 CD1 TYR A 46 -9.228 5.011 -2.030 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.301 3.753 -0.228 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.554 6.133 -1.592 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.623 4.871 0.211 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.752 6.059 -0.474 1.00 0.00 C ATOM 737 OH TYR A 46 -7.093 7.182 -0.033 1.00 0.00 O ATOM 0 H TYR A 46 -10.459 0.304 -2.504 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.532 2.532 -3.944 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.899 2.846 -2.029 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.878 1.838 -1.022 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.853 5.074 -2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.199 2.824 0.313 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.655 7.067 -2.125 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.994 4.815 1.087 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.571 6.962 0.766 1.00 0.00 H new ATOM 747 N ILE A 47 -7.253 0.974 -2.138 1.00 0.00 N ATOM 748 CA ILE A 47 -5.821 0.786 -1.964 1.00 0.00 C ATOM 749 C ILE A 47 -5.165 0.338 -3.266 1.00 0.00 C ATOM 750 O ILE A 47 -4.071 0.786 -3.597 1.00 0.00 O ATOM 751 CB ILE A 47 -5.517 -0.236 -0.843 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.941 0.325 0.526 1.00 0.00 C ATOM 753 CG2 ILE A 47 -4.038 -0.616 -0.837 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.253 1.625 0.901 1.00 0.00 C ATOM 0 H ILE A 47 -7.829 0.367 -1.555 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.403 1.750 -1.673 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.095 -1.139 -1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.019 0.484 0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.730 -0.420 1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.850 -1.335 -0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.773 -1.060 -1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.434 0.276 -0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.606 1.954 1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.175 1.469 0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.484 2.387 0.156 1.00 0.00 H new ATOM 766 N LYS A 48 -5.848 -0.526 -4.014 1.00 0.00 N ATOM 767 CA LYS A 48 -5.309 -1.022 -5.273 1.00 0.00 C ATOM 768 C LYS A 48 -5.118 0.144 -6.237 1.00 0.00 C ATOM 769 O LYS A 48 -4.029 0.344 -6.775 1.00 0.00 O ATOM 770 CB LYS A 48 -6.245 -2.075 -5.883 1.00 0.00 C ATOM 771 CG LYS A 48 -5.567 -3.051 -6.853 1.00 0.00 C ATOM 772 CD LYS A 48 -4.922 -2.367 -8.055 1.00 0.00 C ATOM 773 CE LYS A 48 -5.947 -1.857 -9.057 1.00 0.00 C ATOM 774 NZ LYS A 48 -6.650 -2.969 -9.749 1.00 0.00 N ATOM 0 H LYS A 48 -6.768 -0.893 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.345 -1.495 -5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.703 -2.646 -5.075 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.052 -1.564 -6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.806 -3.615 -6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.306 -3.770 -7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.311 -1.533 -7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.252 -3.069 -8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.676 -1.231 -8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.450 -1.227 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.956 -2.653 -10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.005 -3.779 -9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.481 -3.254 -9.193 1.00 0.00 H new ATOM 788 N CYS A 49 -6.188 0.908 -6.443 1.00 0.00 N ATOM 789 CA CYS A 49 -6.149 2.073 -7.323 1.00 0.00 C ATOM 790 C CYS A 49 -5.029 3.035 -6.924 1.00 0.00 C ATOM 791 O CYS A 49 -4.225 3.435 -7.763 1.00 0.00 O ATOM 792 CB CYS A 49 -7.499 2.794 -7.312 1.00 0.00 C ATOM 793 SG CYS A 49 -7.486 4.418 -8.149 1.00 0.00 S ATOM 0 H CYS A 49 -7.096 0.740 -6.010 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.944 1.722 -8.334 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.243 2.157 -7.791 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.816 2.933 -6.278 1.00 0.00 H new ATOM 798 N VAL A 50 -4.966 3.384 -5.637 1.00 0.00 N ATOM 799 CA VAL A 50 -3.963 4.313 -5.143 1.00 0.00 C ATOM 800 C VAL A 50 -2.558 3.772 -5.358 1.00 0.00 C ATOM 801 O VAL A 50 -1.675 4.479 -5.836 1.00 0.00 O ATOM 802 CB VAL A 50 -4.184 4.622 -3.649 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.987 5.344 -3.056 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.435 5.457 -3.476 1.00 0.00 C ATOM 0 H VAL A 50 -5.602 3.033 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.068 5.237 -5.711 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.304 3.678 -3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.171 5.549 -2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.100 4.719 -3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.830 6.283 -3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.586 5.672 -2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.327 6.393 -4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.295 4.908 -3.861 1.00 0.00 H new ATOM 814 N PHE A 51 -2.369 2.503 -5.030 1.00 0.00 N ATOM 815 CA PHE A 51 -1.078 1.851 -5.180 1.00 0.00 C ATOM 816 C PHE A 51 -0.665 1.783 -6.648 1.00 0.00 C ATOM 817 O PHE A 51 0.517 1.733 -6.973 1.00 0.00 O ATOM 818 CB PHE A 51 -1.124 0.448 -4.569 1.00 0.00 C ATOM 819 CG PHE A 51 -0.684 0.387 -3.132 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.941 1.436 -2.261 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.017 -0.727 -2.652 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.539 1.371 -0.941 1.00 0.00 C ATOM 823 CE2 PHE A 51 0.388 -0.796 -1.333 1.00 0.00 C ATOM 824 CZ PHE A 51 0.125 0.255 -0.477 1.00 0.00 C ATOM 0 H PHE A 51 -3.101 1.900 -4.655 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.331 2.442 -4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.142 0.065 -4.642 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.491 -0.214 -5.160 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.461 2.312 -2.619 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.189 -1.553 -3.317 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.745 2.194 -0.273 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.909 -1.670 -0.972 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.439 0.203 0.555 1.00 0.00 H new ATOM 834 N ASN A 52 -1.651 1.793 -7.529 1.00 0.00 N ATOM 835 CA ASN A 52 -1.401 1.751 -8.964 1.00 0.00 C ATOM 836 C ASN A 52 -1.117 3.152 -9.503 1.00 0.00 C ATOM 837 O ASN A 52 -0.272 3.338 -10.381 1.00 0.00 O ATOM 838 CB ASN A 52 -2.598 1.121 -9.680 1.00 0.00 C ATOM 839 CG ASN A 52 -2.383 0.982 -11.173 1.00 0.00 C ATOM 840 OD1 ASN A 52 -2.886 1.778 -11.966 1.00 0.00 O ATOM 841 ND2 ASN A 52 -1.609 -0.017 -11.564 1.00 0.00 N ATOM 0 H ASN A 52 -2.638 1.830 -7.276 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.520 1.138 -9.152 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.795 0.138 -9.253 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.484 1.729 -9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.409 -0.150 -12.555 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.212 -0.655 -10.874 1.00 0.00 H new ATOM 848 N LYS A 53 -1.810 4.135 -8.945 1.00 0.00 N ATOM 849 CA LYS A 53 -1.601 5.539 -9.293 1.00 0.00 C ATOM 850 C LYS A 53 -0.225 5.997 -8.818 1.00 0.00 C ATOM 851 O LYS A 53 0.398 6.878 -9.409 1.00 0.00 O ATOM 852 CB LYS A 53 -2.683 6.402 -8.639 1.00 0.00 C ATOM 853 CG LYS A 53 -4.046 6.345 -9.318 1.00 0.00 C ATOM 854 CD LYS A 53 -4.122 7.260 -10.530 1.00 0.00 C ATOM 855 CE LYS A 53 -5.518 7.248 -11.133 1.00 0.00 C ATOM 856 NZ LYS A 53 -5.665 8.232 -12.237 1.00 0.00 N ATOM 0 H LYS A 53 -2.532 3.985 -8.240 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.658 5.646 -10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.797 6.091 -7.601 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.343 7.437 -8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.255 5.320 -9.625 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.819 6.627 -8.603 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.855 8.276 -10.240 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.396 6.941 -11.278 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.741 6.249 -11.508 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.249 7.467 -10.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.436 7.933 -12.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.885 9.168 -11.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.777 8.284 -12.776 1.00 0.00 H new ATOM 870 N MET A 54 0.236 5.375 -7.741 1.00 0.00 N ATOM 871 CA MET A 54 1.526 5.698 -7.146 1.00 0.00 C ATOM 872 C MET A 54 2.642 4.876 -7.785 1.00 0.00 C ATOM 873 O MET A 54 3.807 4.994 -7.408 1.00 0.00 O ATOM 874 CB MET A 54 1.492 5.430 -5.637 1.00 0.00 C ATOM 875 CG MET A 54 0.582 6.368 -4.854 1.00 0.00 C ATOM 876 SD MET A 54 1.485 7.632 -3.942 1.00 0.00 S ATOM 877 CE MET A 54 2.144 6.666 -2.585 1.00 0.00 C ATOM 0 H MET A 54 -0.272 4.635 -7.257 1.00 0.00 H new ATOM 0 HA MET A 54 1.725 6.755 -7.324 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.167 4.403 -5.469 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.505 5.512 -5.242 1.00 0.00 H new ATOM 0 HG2 MET A 54 -0.111 6.851 -5.543 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.018 5.784 -4.156 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.544 7.335 -1.823 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.350 6.057 -2.152 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.939 6.017 -2.953 1.00 0.00 H new ATOM 887 N GLN A 55 2.254 4.040 -8.756 1.00 0.00 N ATOM 888 CA GLN A 55 3.165 3.123 -9.434 1.00 0.00 C ATOM 889 C GLN A 55 3.923 2.258 -8.437 1.00 0.00 C ATOM 890 O GLN A 55 5.152 2.195 -8.448 1.00 0.00 O ATOM 891 CB GLN A 55 4.125 3.888 -10.338 1.00 0.00 C ATOM 892 CG GLN A 55 3.438 4.435 -11.574 1.00 0.00 C ATOM 893 CD GLN A 55 4.359 5.256 -12.449 1.00 0.00 C ATOM 894 OE1 GLN A 55 5.305 5.881 -11.968 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.089 5.261 -13.742 1.00 0.00 N ATOM 0 H GLN A 55 1.293 3.984 -9.092 1.00 0.00 H new ATOM 0 HA GLN A 55 2.568 2.457 -10.058 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.570 4.711 -9.778 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.940 3.230 -10.639 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.037 3.606 -12.156 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.591 5.050 -11.270 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.295 4.729 -14.099 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.674 5.797 -14.383 1.00 0.00 H new ATOM 904 N LEU A 56 3.175 1.592 -7.578 1.00 0.00 N ATOM 905 CA LEU A 56 3.759 0.810 -6.505 1.00 0.00 C ATOM 906 C LEU A 56 3.225 -0.623 -6.510 1.00 0.00 C ATOM 907 O LEU A 56 3.819 -1.520 -5.911 1.00 0.00 O ATOM 908 CB LEU A 56 3.481 1.505 -5.165 1.00 0.00 C ATOM 909 CG LEU A 56 4.609 2.415 -4.669 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.221 3.098 -3.366 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.895 1.631 -4.486 1.00 0.00 C ATOM 0 H LEU A 56 2.155 1.577 -7.603 1.00 0.00 H new ATOM 0 HA LEU A 56 4.837 0.747 -6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.571 2.097 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.288 0.743 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 56 4.776 3.182 -5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.038 3.739 -3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.327 3.702 -3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.019 2.343 -2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.681 2.299 -4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.737 0.838 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.192 1.192 -5.438 1.00 0.00 H new ATOM 923 N PHE A 57 2.108 -0.834 -7.199 1.00 0.00 N ATOM 924 CA PHE A 57 1.512 -2.158 -7.307 1.00 0.00 C ATOM 925 C PHE A 57 0.978 -2.375 -8.715 1.00 0.00 C ATOM 926 O PHE A 57 0.331 -1.495 -9.289 1.00 0.00 O ATOM 927 CB PHE A 57 0.380 -2.340 -6.279 1.00 0.00 C ATOM 928 CG PHE A 57 -0.337 -3.662 -6.380 1.00 0.00 C ATOM 929 CD1 PHE A 57 -1.511 -3.776 -7.112 1.00 0.00 C ATOM 930 CD2 PHE A 57 0.159 -4.788 -5.741 1.00 0.00 C ATOM 931 CE1 PHE A 57 -2.172 -4.984 -7.205 1.00 0.00 C ATOM 932 CE2 PHE A 57 -0.500 -5.999 -5.831 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.667 -6.097 -6.564 1.00 0.00 C ATOM 0 H PHE A 57 1.597 -0.102 -7.692 1.00 0.00 H new ATOM 0 HA PHE A 57 2.284 -2.898 -7.097 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.795 -2.240 -5.276 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.344 -1.535 -6.406 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.912 -2.909 -7.615 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.071 -4.718 -5.166 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.084 -5.058 -7.779 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.103 -6.869 -5.329 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.183 -7.043 -6.635 1.00 0.00 H new ATOM 943 N ASP A 58 1.262 -3.541 -9.260 1.00 0.00 N ATOM 944 CA ASP A 58 0.771 -3.919 -10.574 1.00 0.00 C ATOM 945 C ASP A 58 -0.069 -5.182 -10.444 1.00 0.00 C ATOM 946 O ASP A 58 0.223 -6.046 -9.624 1.00 0.00 O ATOM 947 CB ASP A 58 1.942 -4.144 -11.538 1.00 0.00 C ATOM 948 CG ASP A 58 1.485 -4.555 -12.922 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.137 -3.668 -13.728 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.476 -5.768 -13.214 1.00 0.00 O ATOM 0 H ASP A 58 1.837 -4.252 -8.808 1.00 0.00 H new ATOM 0 HA ASP A 58 0.155 -3.116 -10.979 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.530 -3.229 -11.610 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.599 -4.914 -11.133 1.00 0.00 H new ATOM 955 N ASP A 59 -1.116 -5.277 -11.247 1.00 0.00 N ATOM 956 CA ASP A 59 -2.088 -6.363 -11.130 1.00 0.00 C ATOM 957 C ASP A 59 -1.513 -7.677 -11.631 1.00 0.00 C ATOM 958 O ASP A 59 -2.053 -8.751 -11.360 1.00 0.00 O ATOM 959 CB ASP A 59 -3.349 -6.028 -11.919 1.00 0.00 C ATOM 960 CG ASP A 59 -3.985 -4.727 -11.480 1.00 0.00 C ATOM 961 OD1 ASP A 59 -3.446 -3.652 -11.820 1.00 0.00 O ATOM 962 OD2 ASP A 59 -5.041 -4.771 -10.818 1.00 0.00 O ATOM 0 H ASP A 59 -1.319 -4.612 -11.993 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.334 -6.474 -10.074 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.104 -5.968 -12.979 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.070 -6.837 -11.804 1.00 0.00 H new ATOM 967 N THR A 60 -0.432 -7.582 -12.379 1.00 0.00 N ATOM 968 CA THR A 60 0.243 -8.749 -12.907 1.00 0.00 C ATOM 969 C THR A 60 1.442 -9.137 -12.035 1.00 0.00 C ATOM 970 O THR A 60 1.458 -10.209 -11.426 1.00 0.00 O ATOM 971 CB THR A 60 0.699 -8.483 -14.351 1.00 0.00 C ATOM 972 OG1 THR A 60 -0.445 -8.382 -15.210 1.00 0.00 O ATOM 973 CG2 THR A 60 1.636 -9.564 -14.852 1.00 0.00 C ATOM 0 H THR A 60 0.002 -6.696 -12.637 1.00 0.00 H new ATOM 0 HA THR A 60 -0.460 -9.582 -12.901 1.00 0.00 H new ATOM 0 HB THR A 60 1.248 -7.542 -14.362 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.150 -8.211 -16.129 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.936 -9.340 -15.876 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.520 -9.603 -14.215 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.127 -10.528 -14.826 1.00 0.00 H new ATOM 981 N GLU A 61 2.435 -8.253 -11.969 1.00 0.00 N ATOM 982 CA GLU A 61 3.658 -8.521 -11.221 1.00 0.00 C ATOM 983 C GLU A 61 3.411 -8.505 -9.714 1.00 0.00 C ATOM 984 O GLU A 61 4.148 -9.126 -8.946 1.00 0.00 O ATOM 985 CB GLU A 61 4.724 -7.487 -11.554 1.00 0.00 C ATOM 986 CG GLU A 61 4.805 -7.131 -13.023 1.00 0.00 C ATOM 987 CD GLU A 61 5.926 -6.154 -13.312 1.00 0.00 C ATOM 988 OE1 GLU A 61 5.641 -4.961 -13.559 1.00 0.00 O ATOM 989 OE2 GLU A 61 7.102 -6.569 -13.278 1.00 0.00 O ATOM 0 H GLU A 61 2.415 -7.342 -12.427 1.00 0.00 H new ATOM 0 HA GLU A 61 3.999 -9.515 -11.511 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.526 -6.580 -10.982 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.694 -7.864 -11.229 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.956 -8.038 -13.608 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.857 -6.699 -13.344 1.00 0.00 H new ATOM 996 N GLY A 62 2.368 -7.803 -9.298 1.00 0.00 N ATOM 997 CA GLY A 62 2.103 -7.640 -7.884 1.00 0.00 C ATOM 998 C GLY A 62 2.820 -6.437 -7.314 1.00 0.00 C ATOM 999 O GLY A 62 3.033 -5.451 -8.019 1.00 0.00 O ATOM 0 H GLY A 62 1.699 -7.343 -9.915 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.030 -7.533 -7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.416 -8.537 -7.350 1.00 0.00 H new ATOM 1003 N PRO A 63 3.185 -6.486 -6.028 1.00 0.00 N ATOM 1004 CA PRO A 63 3.947 -5.418 -5.381 1.00 0.00 C ATOM 1005 C PRO A 63 5.270 -5.162 -6.096 1.00 0.00 C ATOM 1006 O PRO A 63 6.111 -6.057 -6.208 1.00 0.00 O ATOM 1007 CB PRO A 63 4.191 -5.949 -3.961 1.00 0.00 C ATOM 1008 CG PRO A 63 3.151 -6.998 -3.752 1.00 0.00 C ATOM 1009 CD PRO A 63 2.873 -7.587 -5.109 1.00 0.00 C ATOM 0 HA PRO A 63 3.417 -4.466 -5.395 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.194 -6.364 -3.863 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.101 -5.153 -3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.503 -7.763 -3.060 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.246 -6.569 -3.321 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.495 -8.461 -5.303 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.835 -7.907 -5.203 1.00 0.00 H new ATOM 1017 N LEU A 64 5.443 -3.945 -6.586 1.00 0.00 N ATOM 1018 CA LEU A 64 6.648 -3.582 -7.318 1.00 0.00 C ATOM 1019 C LEU A 64 7.776 -3.296 -6.344 1.00 0.00 C ATOM 1020 O LEU A 64 7.993 -2.157 -5.942 1.00 0.00 O ATOM 1021 CB LEU A 64 6.396 -2.370 -8.217 1.00 0.00 C ATOM 1022 CG LEU A 64 5.207 -2.526 -9.163 1.00 0.00 C ATOM 1023 CD1 LEU A 64 4.922 -1.227 -9.897 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.477 -3.645 -10.150 1.00 0.00 C ATOM 0 H LEU A 64 4.764 -3.190 -6.490 1.00 0.00 H new ATOM 0 HA LEU A 64 6.933 -4.419 -7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.233 -1.494 -7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.292 -2.177 -8.807 1.00 0.00 H new ATOM 0 HG LEU A 64 4.326 -2.777 -8.573 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.071 -1.365 -10.564 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.693 -0.443 -9.175 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.797 -0.939 -10.480 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.625 -3.751 -10.822 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.370 -3.411 -10.730 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.631 -4.579 -9.609 1.00 0.00 H new ATOM 1036 N VAL A 65 8.477 -4.363 -5.981 1.00 0.00 N ATOM 1037 CA VAL A 65 9.529 -4.327 -4.971 1.00 0.00 C ATOM 1038 C VAL A 65 10.520 -3.188 -5.200 1.00 0.00 C ATOM 1039 O VAL A 65 10.864 -2.471 -4.266 1.00 0.00 O ATOM 1040 CB VAL A 65 10.294 -5.664 -4.935 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.482 -5.593 -3.989 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.361 -6.791 -4.531 1.00 0.00 C ATOM 0 H VAL A 65 8.330 -5.288 -6.384 1.00 0.00 H new ATOM 0 HA VAL A 65 9.034 -4.156 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 65 10.676 -5.863 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.002 -6.551 -3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.165 -4.811 -4.321 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.132 -5.366 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.913 -7.730 -4.509 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.952 -6.588 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.547 -6.865 -5.252 1.00 0.00 H new ATOM 1052 N ASP A 66 10.961 -3.014 -6.438 1.00 0.00 N ATOM 1053 CA ASP A 66 11.976 -2.011 -6.747 1.00 0.00 C ATOM 1054 C ASP A 66 11.485 -0.602 -6.413 1.00 0.00 C ATOM 1055 O ASP A 66 12.164 0.149 -5.712 1.00 0.00 O ATOM 1056 CB ASP A 66 12.384 -2.105 -8.212 1.00 0.00 C ATOM 1057 CG ASP A 66 13.505 -1.148 -8.566 1.00 0.00 C ATOM 1058 OD1 ASP A 66 13.218 -0.062 -9.104 1.00 0.00 O ATOM 1059 OD2 ASP A 66 14.683 -1.486 -8.314 1.00 0.00 O ATOM 0 H ASP A 66 10.635 -3.550 -7.242 1.00 0.00 H new ATOM 0 HA ASP A 66 12.849 -2.213 -6.127 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.698 -3.125 -8.433 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.519 -1.894 -8.841 1.00 0.00 H new ATOM 1064 N ASN A 67 10.292 -0.252 -6.893 1.00 0.00 N ATOM 1065 CA ASN A 67 9.703 1.049 -6.592 1.00 0.00 C ATOM 1066 C ASN A 67 9.394 1.157 -5.104 1.00 0.00 C ATOM 1067 O ASN A 67 9.518 2.225 -4.510 1.00 0.00 O ATOM 1068 CB ASN A 67 8.423 1.287 -7.403 1.00 0.00 C ATOM 1069 CG ASN A 67 8.680 1.508 -8.885 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.636 0.978 -9.452 1.00 0.00 O ATOM 1071 ND2 ASN A 67 7.823 2.289 -9.526 1.00 0.00 N ATOM 0 H ASN A 67 9.718 -0.849 -7.489 1.00 0.00 H new ATOM 0 HA ASN A 67 10.430 1.812 -6.869 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.760 0.431 -7.281 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.902 2.155 -6.999 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.944 2.468 -10.523 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.043 2.711 -9.023 1.00 0.00 H new ATOM 1078 N LEU A 68 9.009 0.031 -4.512 1.00 0.00 N ATOM 1079 CA LEU A 68 8.683 -0.033 -3.090 1.00 0.00 C ATOM 1080 C LEU A 68 9.882 0.343 -2.230 1.00 0.00 C ATOM 1081 O LEU A 68 9.766 1.139 -1.302 1.00 0.00 O ATOM 1082 CB LEU A 68 8.184 -1.433 -2.727 1.00 0.00 C ATOM 1083 CG LEU A 68 6.704 -1.681 -3.018 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.398 -3.168 -3.006 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.841 -0.961 -1.999 1.00 0.00 C ATOM 0 H LEU A 68 8.914 -0.859 -5.001 1.00 0.00 H new ATOM 0 HA LEU A 68 7.891 0.689 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.775 -2.167 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.365 -1.604 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 68 6.478 -1.290 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.340 -3.323 -3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.996 -3.669 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.639 -3.581 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.789 -1.146 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.074 -1.329 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.039 0.110 -2.046 1.00 0.00 H new ATOM 1097 N VAL A 69 11.033 -0.224 -2.555 1.00 0.00 N ATOM 1098 CA VAL A 69 12.261 0.062 -1.831 1.00 0.00 C ATOM 1099 C VAL A 69 12.726 1.495 -2.089 1.00 0.00 C ATOM 1100 O VAL A 69 13.239 2.161 -1.196 1.00 0.00 O ATOM 1101 CB VAL A 69 13.368 -0.929 -2.227 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.650 -0.627 -1.478 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.924 -2.356 -1.960 1.00 0.00 C ATOM 0 H VAL A 69 11.142 -0.889 -3.321 1.00 0.00 H new ATOM 0 HA VAL A 69 12.054 -0.049 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 69 13.559 -0.818 -3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.420 -1.340 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.981 0.384 -1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.472 -0.708 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.719 -3.044 -2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.704 -2.476 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.029 -2.574 -2.543 1.00 0.00 H new ATOM 1113 N HIS A 70 12.536 1.975 -3.311 1.00 0.00 N ATOM 1114 CA HIS A 70 12.903 3.350 -3.651 1.00 0.00 C ATOM 1115 C HIS A 70 12.032 4.353 -2.900 1.00 0.00 C ATOM 1116 O HIS A 70 12.488 5.433 -2.521 1.00 0.00 O ATOM 1117 CB HIS A 70 12.781 3.590 -5.159 1.00 0.00 C ATOM 1118 CG HIS A 70 13.822 2.885 -5.970 1.00 0.00 C ATOM 1119 ND1 HIS A 70 13.954 3.054 -7.328 1.00 0.00 N ATOM 1120 CD2 HIS A 70 14.779 1.998 -5.608 1.00 0.00 C ATOM 1121 CE1 HIS A 70 14.942 2.298 -7.768 1.00 0.00 C ATOM 1122 NE2 HIS A 70 15.460 1.646 -6.743 1.00 0.00 N ATOM 0 H HIS A 70 12.133 1.440 -4.080 1.00 0.00 H new ATOM 0 HA HIS A 70 13.941 3.495 -3.352 1.00 0.00 H new ATOM 0 HB2 HIS A 70 11.795 3.265 -5.490 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.846 4.661 -5.353 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.970 1.635 -4.609 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.272 2.225 -8.794 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.239 0.989 -6.789 1.00 0.00 H new ATOM 1131 N GLN A 71 10.782 3.982 -2.685 1.00 0.00 N ATOM 1132 CA GLN A 71 9.818 4.851 -2.025 1.00 0.00 C ATOM 1133 C GLN A 71 9.966 4.777 -0.511 1.00 0.00 C ATOM 1134 O GLN A 71 10.217 5.786 0.152 1.00 0.00 O ATOM 1135 CB GLN A 71 8.398 4.449 -2.428 1.00 0.00 C ATOM 1136 CG GLN A 71 7.327 5.439 -1.989 1.00 0.00 C ATOM 1137 CD GLN A 71 7.582 6.848 -2.485 1.00 0.00 C ATOM 1138 OE1 GLN A 71 7.198 7.212 -3.597 1.00 0.00 O ATOM 1139 NE2 GLN A 71 8.203 7.663 -1.650 1.00 0.00 N ATOM 0 H GLN A 71 10.406 3.075 -2.961 1.00 0.00 H new ATOM 0 HA GLN A 71 10.009 5.877 -2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.356 4.340 -3.512 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.173 3.472 -2.001 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.357 5.102 -2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.273 5.448 -0.900 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.506 7.324 -0.737 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.379 8.631 -1.919 1.00 0.00 H new ATOM 1148 N LEU A 72 9.796 3.580 0.031 1.00 0.00 N ATOM 1149 CA LEU A 72 9.870 3.367 1.471 1.00 0.00 C ATOM 1150 C LEU A 72 11.267 3.680 2.002 1.00 0.00 C ATOM 1151 O LEU A 72 11.431 4.499 2.908 1.00 0.00 O ATOM 1152 CB LEU A 72 9.487 1.925 1.825 1.00 0.00 C ATOM 1153 CG LEU A 72 8.025 1.546 1.579 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.820 0.053 1.788 1.00 0.00 C ATOM 1155 CD2 LEU A 72 7.100 2.329 2.499 1.00 0.00 C ATOM 0 H LEU A 72 9.605 2.736 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 72 9.161 4.047 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.120 1.249 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.714 1.756 2.878 1.00 0.00 H new ATOM 0 HG LEU A 72 7.782 1.797 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.775 -0.199 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.451 -0.502 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.087 -0.211 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.066 2.042 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.349 2.110 3.537 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.221 3.396 2.314 1.00 0.00 H new ATOM 1167 N ALA A 73 12.273 3.050 1.409 1.00 0.00 N ATOM 1168 CA ALA A 73 13.641 3.168 1.884 1.00 0.00 C ATOM 1169 C ALA A 73 14.363 4.390 1.319 1.00 0.00 C ATOM 1170 O ALA A 73 15.570 4.337 1.084 1.00 0.00 O ATOM 1171 CB ALA A 73 14.417 1.918 1.530 1.00 0.00 C ATOM 0 H ALA A 73 12.163 2.449 0.593 1.00 0.00 H new ATOM 0 HA ALA A 73 13.590 3.293 2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.442 2.012 1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.947 1.053 1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.422 1.787 0.448 1.00 0.00 H new ATOM 1177 N HIS A 74 13.648 5.481 1.076 1.00 0.00 N ATOM 1178 CA HIS A 74 14.300 6.686 0.567 1.00 0.00 C ATOM 1179 C HIS A 74 15.201 7.274 1.657 1.00 0.00 C ATOM 1180 O HIS A 74 14.721 7.781 2.674 1.00 0.00 O ATOM 1181 CB HIS A 74 13.278 7.724 0.042 1.00 0.00 C ATOM 1182 CG HIS A 74 12.454 8.419 1.091 1.00 0.00 C ATOM 1183 ND1 HIS A 74 12.503 9.782 1.295 1.00 0.00 N ATOM 1184 CD2 HIS A 74 11.552 7.945 1.984 1.00 0.00 C ATOM 1185 CE1 HIS A 74 11.675 10.114 2.265 1.00 0.00 C ATOM 1186 NE2 HIS A 74 11.084 9.020 2.699 1.00 0.00 N ATOM 0 H HIS A 74 12.641 5.560 1.218 1.00 0.00 H new ATOM 0 HA HIS A 74 14.916 6.413 -0.290 1.00 0.00 H new ATOM 0 HB2 HIS A 74 13.817 8.480 -0.529 1.00 0.00 H new ATOM 0 HB3 HIS A 74 12.602 7.222 -0.651 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.256 6.914 2.110 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.509 11.113 2.640 1.00 0.00 H new ATOM 0 HE2 HIS A 74 10.390 8.978 3.446 1.00 0.00 H new ATOM 1195 N GLY A 75 16.509 7.142 1.464 1.00 0.00 N ATOM 1196 CA GLY A 75 17.458 7.575 2.473 1.00 0.00 C ATOM 1197 C GLY A 75 17.408 6.685 3.696 1.00 0.00 C ATOM 1198 O GLY A 75 17.560 7.152 4.826 1.00 0.00 O ATOM 0 H GLY A 75 16.930 6.742 0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.465 7.566 2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.241 8.604 2.761 1.00 0.00 H new ATOM 1202 N ARG A 76 17.188 5.397 3.468 1.00 0.00 N ATOM 1203 CA ARG A 76 16.970 4.442 4.547 1.00 0.00 C ATOM 1204 C ARG A 76 17.509 3.073 4.149 1.00 0.00 C ATOM 1205 O ARG A 76 17.884 2.877 2.994 1.00 0.00 O ATOM 1206 CB ARG A 76 15.473 4.381 4.871 1.00 0.00 C ATOM 1207 CG ARG A 76 15.026 5.500 5.796 1.00 0.00 C ATOM 1208 CD ARG A 76 13.519 5.536 5.968 1.00 0.00 C ATOM 1209 NE ARG A 76 13.093 6.659 6.808 1.00 0.00 N ATOM 1210 CZ ARG A 76 13.071 7.937 6.409 1.00 0.00 C ATOM 1211 NH1 ARG A 76 13.503 8.280 5.199 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.628 8.879 7.236 1.00 0.00 N ATOM 0 H ARG A 76 17.156 4.986 2.535 1.00 0.00 H new ATOM 0 HA ARG A 76 17.506 4.762 5.441 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.903 4.432 3.944 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.244 3.421 5.333 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.498 5.374 6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.367 6.456 5.398 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.043 5.613 4.990 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.182 4.600 6.414 1.00 0.00 H new ATOM 0 HE ARG A 76 12.793 6.453 7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.857 7.566 4.562 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.481 9.257 4.908 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.307 8.627 8.171 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.610 9.854 6.936 1.00 0.00 H new ATOM 1226 N ASP A 77 17.563 2.143 5.103 1.00 0.00 N ATOM 1227 CA ASP A 77 18.105 0.806 4.855 1.00 0.00 C ATOM 1228 C ASP A 77 17.276 0.055 3.832 1.00 0.00 C ATOM 1229 O ASP A 77 16.310 -0.628 4.177 1.00 0.00 O ATOM 1230 CB ASP A 77 18.173 -0.013 6.143 1.00 0.00 C ATOM 1231 CG ASP A 77 19.161 0.534 7.147 1.00 0.00 C ATOM 1232 OD1 ASP A 77 20.352 0.164 7.081 1.00 0.00 O ATOM 1233 OD2 ASP A 77 18.751 1.335 8.014 1.00 0.00 O ATOM 0 H ASP A 77 17.237 2.292 6.058 1.00 0.00 H new ATOM 0 HA ASP A 77 19.114 0.943 4.465 1.00 0.00 H new ATOM 0 HB2 ASP A 77 17.183 -0.045 6.598 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.445 -1.040 5.899 1.00 0.00 H new ATOM 1238 N ALA A 78 17.678 0.176 2.580 1.00 0.00 N ATOM 1239 CA ALA A 78 16.994 -0.467 1.472 1.00 0.00 C ATOM 1240 C ALA A 78 16.927 -1.974 1.660 1.00 0.00 C ATOM 1241 O ALA A 78 15.921 -2.602 1.341 1.00 0.00 O ATOM 1242 CB ALA A 78 17.697 -0.130 0.173 1.00 0.00 C ATOM 0 H ALA A 78 18.491 0.725 2.302 1.00 0.00 H new ATOM 0 HA ALA A 78 15.971 -0.092 1.438 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.181 -0.614 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.689 0.950 0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.727 -0.483 0.215 1.00 0.00 H new ATOM 1248 N GLU A 79 18.001 -2.542 2.192 1.00 0.00 N ATOM 1249 CA GLU A 79 18.083 -3.980 2.407 1.00 0.00 C ATOM 1250 C GLU A 79 17.028 -4.453 3.401 1.00 0.00 C ATOM 1251 O GLU A 79 16.321 -5.429 3.145 1.00 0.00 O ATOM 1252 CB GLU A 79 19.474 -4.370 2.895 1.00 0.00 C ATOM 1253 CG GLU A 79 20.557 -4.194 1.847 1.00 0.00 C ATOM 1254 CD GLU A 79 21.910 -4.670 2.326 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.667 -3.854 2.892 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.226 -5.865 2.141 1.00 0.00 O ATOM 0 H GLU A 79 18.831 -2.026 2.484 1.00 0.00 H new ATOM 0 HA GLU A 79 17.893 -4.469 1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.725 -3.769 3.769 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.458 -5.411 3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.280 -4.743 0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.623 -3.142 1.570 1.00 0.00 H new ATOM 1263 N GLU A 80 16.918 -3.758 4.529 1.00 0.00 N ATOM 1264 CA GLU A 80 15.928 -4.106 5.540 1.00 0.00 C ATOM 1265 C GLU A 80 14.519 -3.884 5.003 1.00 0.00 C ATOM 1266 O GLU A 80 13.642 -4.735 5.159 1.00 0.00 O ATOM 1267 CB GLU A 80 16.132 -3.281 6.807 1.00 0.00 C ATOM 1268 CG GLU A 80 17.446 -3.546 7.516 1.00 0.00 C ATOM 1269 CD GLU A 80 17.482 -2.952 8.912 1.00 0.00 C ATOM 1270 OE1 GLU A 80 17.268 -3.702 9.887 1.00 0.00 O ATOM 1271 OE2 GLU A 80 17.712 -1.733 9.042 1.00 0.00 O ATOM 0 H GLU A 80 17.500 -2.954 4.765 1.00 0.00 H new ATOM 0 HA GLU A 80 16.055 -5.160 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 80 16.077 -2.223 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.313 -3.485 7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.612 -4.622 7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 80 18.264 -3.131 6.927 1.00 0.00 H new ATOM 1278 N VAL A 81 14.321 -2.739 4.359 1.00 0.00 N ATOM 1279 CA VAL A 81 13.034 -2.386 3.778 1.00 0.00 C ATOM 1280 C VAL A 81 12.576 -3.426 2.751 1.00 0.00 C ATOM 1281 O VAL A 81 11.459 -3.934 2.832 1.00 0.00 O ATOM 1282 CB VAL A 81 13.103 -0.993 3.132 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.853 -0.691 2.326 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.311 0.056 4.209 1.00 0.00 C ATOM 0 H VAL A 81 15.045 -2.033 4.226 1.00 0.00 H new ATOM 0 HA VAL A 81 12.300 -2.368 4.584 1.00 0.00 H new ATOM 0 HB VAL A 81 13.946 -0.974 2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.936 0.302 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.742 -1.433 1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.981 -0.725 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.360 1.044 3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.480 0.024 4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.243 -0.145 4.738 1.00 0.00 H new ATOM 1294 N ARG A 82 13.451 -3.738 1.795 1.00 0.00 N ATOM 1295 CA ARG A 82 13.183 -4.765 0.793 1.00 0.00 C ATOM 1296 C ARG A 82 12.828 -6.088 1.460 1.00 0.00 C ATOM 1297 O ARG A 82 11.891 -6.773 1.051 1.00 0.00 O ATOM 1298 CB ARG A 82 14.414 -4.946 -0.089 1.00 0.00 C ATOM 1299 CG ARG A 82 14.183 -5.867 -1.268 1.00 0.00 C ATOM 1300 CD ARG A 82 15.394 -5.902 -2.184 1.00 0.00 C ATOM 1301 NE ARG A 82 16.618 -6.244 -1.459 1.00 0.00 N ATOM 1302 CZ ARG A 82 17.767 -5.575 -1.568 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.856 -4.524 -2.374 1.00 0.00 N ATOM 1304 NH2 ARG A 82 18.825 -5.956 -0.865 1.00 0.00 N ATOM 0 H ARG A 82 14.361 -3.287 1.695 1.00 0.00 H new ATOM 0 HA ARG A 82 12.337 -4.448 0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.734 -3.971 -0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.230 -5.341 0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.966 -6.873 -0.910 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.310 -5.533 -1.828 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.227 -6.630 -2.978 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.515 -4.930 -2.663 1.00 0.00 H new ATOM 0 HE ARG A 82 16.591 -7.046 -0.829 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.044 -4.225 -2.913 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.737 -4.016 -2.454 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.760 -6.760 -0.241 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.704 -5.445 -0.948 1.00 0.00 H new ATOM 1318 N THR A 83 13.581 -6.420 2.497 1.00 0.00 N ATOM 1319 CA THR A 83 13.390 -7.657 3.241 1.00 0.00 C ATOM 1320 C THR A 83 11.988 -7.724 3.857 1.00 0.00 C ATOM 1321 O THR A 83 11.260 -8.703 3.680 1.00 0.00 O ATOM 1322 CB THR A 83 14.462 -7.760 4.344 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.745 -8.006 3.752 1.00 0.00 O ATOM 1324 CG2 THR A 83 14.140 -8.846 5.354 1.00 0.00 C ATOM 0 H THR A 83 14.343 -5.839 2.848 1.00 0.00 H new ATOM 0 HA THR A 83 13.490 -8.496 2.552 1.00 0.00 H new ATOM 0 HB THR A 83 14.477 -6.811 4.880 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.093 -7.174 3.368 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.923 -8.882 6.112 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.184 -8.628 5.830 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.082 -9.809 4.847 1.00 0.00 H new ATOM 1332 N GLU A 84 11.621 -6.671 4.576 1.00 0.00 N ATOM 1333 CA GLU A 84 10.304 -6.585 5.200 1.00 0.00 C ATOM 1334 C GLU A 84 9.181 -6.630 4.167 1.00 0.00 C ATOM 1335 O GLU A 84 8.152 -7.267 4.398 1.00 0.00 O ATOM 1336 CB GLU A 84 10.189 -5.322 6.048 1.00 0.00 C ATOM 1337 CG GLU A 84 10.920 -5.435 7.368 1.00 0.00 C ATOM 1338 CD GLU A 84 10.439 -6.618 8.181 1.00 0.00 C ATOM 1339 OE1 GLU A 84 11.104 -7.675 8.156 1.00 0.00 O ATOM 1340 OE2 GLU A 84 9.379 -6.503 8.831 1.00 0.00 O ATOM 0 H GLU A 84 12.218 -5.861 4.743 1.00 0.00 H new ATOM 0 HA GLU A 84 10.197 -7.456 5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.588 -4.476 5.488 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.136 -5.111 6.237 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.990 -5.533 7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.778 -4.519 7.941 1.00 0.00 H new ATOM 1347 N VAL A 85 9.374 -5.950 3.041 1.00 0.00 N ATOM 1348 CA VAL A 85 8.412 -5.993 1.947 1.00 0.00 C ATOM 1349 C VAL A 85 8.179 -7.430 1.491 1.00 0.00 C ATOM 1350 O VAL A 85 7.039 -7.872 1.362 1.00 0.00 O ATOM 1351 CB VAL A 85 8.894 -5.146 0.750 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.101 -5.473 -0.503 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.789 -3.666 1.072 1.00 0.00 C ATOM 0 H VAL A 85 10.189 -5.363 2.863 1.00 0.00 H new ATOM 0 HA VAL A 85 7.475 -5.577 2.317 1.00 0.00 H new ATOM 0 HB VAL A 85 9.940 -5.390 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.461 -4.862 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.227 -6.528 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.045 -5.264 -0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.133 -3.083 0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.751 -3.414 1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.408 -3.438 1.940 1.00 0.00 H new ATOM 1363 N LEU A 86 9.272 -8.155 1.276 1.00 0.00 N ATOM 1364 CA LEU A 86 9.216 -9.527 0.785 1.00 0.00 C ATOM 1365 C LEU A 86 8.415 -10.441 1.713 1.00 0.00 C ATOM 1366 O LEU A 86 7.807 -11.409 1.257 1.00 0.00 O ATOM 1367 CB LEU A 86 10.627 -10.077 0.604 1.00 0.00 C ATOM 1368 CG LEU A 86 11.420 -9.438 -0.528 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.886 -9.812 -0.418 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.858 -9.869 -1.873 1.00 0.00 C ATOM 0 H LEU A 86 10.218 -7.809 1.437 1.00 0.00 H new ATOM 0 HA LEU A 86 8.703 -9.507 -0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.177 -9.942 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.563 -11.150 0.424 1.00 0.00 H new ATOM 0 HG LEU A 86 11.333 -8.354 -0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.442 -9.349 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.280 -9.461 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.991 -10.895 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.434 -9.405 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.920 -10.954 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.816 -9.558 -1.949 1.00 0.00 H new ATOM 1382 N LYS A 87 8.411 -10.127 3.009 1.00 0.00 N ATOM 1383 CA LYS A 87 7.635 -10.899 3.984 1.00 0.00 C ATOM 1384 C LYS A 87 6.140 -10.749 3.726 1.00 0.00 C ATOM 1385 O LYS A 87 5.336 -11.598 4.114 1.00 0.00 O ATOM 1386 CB LYS A 87 7.938 -10.447 5.417 1.00 0.00 C ATOM 1387 CG LYS A 87 9.294 -10.882 5.938 1.00 0.00 C ATOM 1388 CD LYS A 87 9.470 -10.487 7.395 1.00 0.00 C ATOM 1389 CE LYS A 87 10.819 -10.925 7.941 1.00 0.00 C ATOM 1390 NZ LYS A 87 11.934 -10.136 7.360 1.00 0.00 N ATOM 0 H LYS A 87 8.934 -9.347 3.408 1.00 0.00 H new ATOM 0 HA LYS A 87 7.923 -11.944 3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.877 -9.360 5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.166 -10.838 6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.398 -11.962 5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.081 -10.428 5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.372 -9.406 7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.674 -10.934 7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.824 -10.817 9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.972 -11.983 7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.835 -10.454 7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.956 -10.273 6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.793 -9.128 7.573 1.00 0.00 H new ATOM 1404 N CYS A 88 5.782 -9.667 3.061 1.00 0.00 N ATOM 1405 CA CYS A 88 4.388 -9.339 2.820 1.00 0.00 C ATOM 1406 C CYS A 88 4.006 -9.616 1.369 1.00 0.00 C ATOM 1407 O CYS A 88 2.830 -9.578 1.007 1.00 0.00 O ATOM 1408 CB CYS A 88 4.139 -7.878 3.187 1.00 0.00 C ATOM 1409 SG CYS A 88 4.013 -7.587 4.982 1.00 0.00 S ATOM 0 H CYS A 88 6.444 -8.994 2.674 1.00 0.00 H new ATOM 0 HA CYS A 88 3.759 -9.971 3.447 1.00 0.00 H new ATOM 0 HB2 CYS A 88 4.948 -7.268 2.785 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.219 -7.544 2.708 1.00 0.00 H new ATOM 1414 N VAL A 89 5.011 -9.891 0.542 1.00 0.00 N ATOM 1415 CA VAL A 89 4.778 -10.250 -0.842 1.00 0.00 C ATOM 1416 C VAL A 89 4.388 -11.716 -0.941 1.00 0.00 C ATOM 1417 O VAL A 89 5.045 -12.584 -0.361 1.00 0.00 O ATOM 1418 CB VAL A 89 6.022 -10.002 -1.719 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.739 -10.392 -3.157 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.467 -8.552 -1.643 1.00 0.00 C ATOM 0 H VAL A 89 5.994 -9.870 0.813 1.00 0.00 H new ATOM 0 HA VAL A 89 3.969 -9.618 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 89 6.832 -10.623 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.626 -10.211 -3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.477 -11.449 -3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.910 -9.796 -3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.346 -8.408 -2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.662 -7.905 -1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.713 -8.301 -0.611 1.00 0.00 H new ATOM 1430 N ASP A 90 3.320 -11.981 -1.667 1.00 0.00 N ATOM 1431 CA ASP A 90 2.834 -13.335 -1.858 1.00 0.00 C ATOM 1432 C ASP A 90 2.036 -13.405 -3.157 1.00 0.00 C ATOM 1433 O ASP A 90 1.725 -12.371 -3.752 1.00 0.00 O ATOM 1434 CB ASP A 90 1.974 -13.756 -0.665 1.00 0.00 C ATOM 1435 CG ASP A 90 1.729 -15.251 -0.613 1.00 0.00 C ATOM 1436 OD1 ASP A 90 2.653 -15.994 -0.225 1.00 0.00 O ATOM 1437 OD2 ASP A 90 0.608 -15.690 -0.946 1.00 0.00 O ATOM 0 H ASP A 90 2.766 -11.267 -2.140 1.00 0.00 H new ATOM 0 HA ASP A 90 3.677 -14.023 -1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.462 -13.441 0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.016 -13.237 -0.713 1.00 0.00 H new ATOM 1442 N LYS A 91 1.709 -14.615 -3.589 1.00 0.00 N ATOM 1443 CA LYS A 91 1.051 -14.827 -4.874 1.00 0.00 C ATOM 1444 C LYS A 91 -0.424 -14.453 -4.808 1.00 0.00 C ATOM 1445 O LYS A 91 -1.028 -14.425 -3.733 1.00 0.00 O ATOM 1446 CB LYS A 91 1.190 -16.288 -5.301 1.00 0.00 C ATOM 1447 CG LYS A 91 2.554 -16.873 -5.006 1.00 0.00 C ATOM 1448 CD LYS A 91 2.707 -18.269 -5.582 1.00 0.00 C ATOM 1449 CE LYS A 91 4.019 -18.903 -5.150 1.00 0.00 C ATOM 1450 NZ LYS A 91 5.188 -18.033 -5.450 1.00 0.00 N ATOM 0 H LYS A 91 1.890 -15.471 -3.065 1.00 0.00 H new ATOM 0 HA LYS A 91 1.537 -14.184 -5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.431 -16.881 -4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.993 -16.367 -6.370 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.325 -16.223 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.710 -16.906 -3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.874 -18.893 -5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.664 -18.223 -6.670 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.986 -19.109 -4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.142 -19.861 -5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.997 -18.623 -5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.948 -17.384 -6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.437 -17.482 -4.604 1.00 0.00 H new ATOM 1464 N ASN A 92 -0.995 -14.178 -5.977 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.400 -13.795 -6.091 1.00 0.00 C ATOM 1466 C ASN A 92 -3.311 -14.999 -5.881 1.00 0.00 C ATOM 1467 O ASN A 92 -3.923 -15.514 -6.820 1.00 0.00 O ATOM 1468 CB ASN A 92 -2.672 -13.169 -7.459 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.101 -12.670 -7.621 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -4.781 -12.344 -6.645 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.560 -12.602 -8.863 1.00 0.00 N ATOM 0 H ASN A 92 -0.500 -14.214 -6.868 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.613 -13.060 -5.315 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.985 -12.337 -7.613 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.461 -13.904 -8.235 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.508 -12.270 -9.039 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.965 -12.881 -9.643 1.00 0.00 H new ATOM 1478 N THR A 93 -3.383 -15.447 -4.645 1.00 0.00 N ATOM 1479 CA THR A 93 -4.272 -16.527 -4.266 1.00 0.00 C ATOM 1480 C THR A 93 -5.645 -15.983 -3.892 1.00 0.00 C ATOM 1481 O THR A 93 -6.560 -16.739 -3.568 1.00 0.00 O ATOM 1482 CB THR A 93 -3.690 -17.319 -3.083 1.00 0.00 C ATOM 1483 OG1 THR A 93 -3.409 -16.434 -1.988 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.420 -18.035 -3.499 1.00 0.00 C ATOM 0 H THR A 93 -2.828 -15.074 -3.875 1.00 0.00 H new ATOM 0 HA THR A 93 -4.375 -17.194 -5.122 1.00 0.00 H new ATOM 0 HB THR A 93 -4.425 -18.059 -2.768 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.040 -16.947 -1.239 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.021 -18.591 -2.650 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.641 -18.725 -4.313 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.683 -17.304 -3.833 1.00 0.00 H new ATOM 1492 N ASP A 94 -5.774 -14.663 -3.935 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.032 -14.004 -3.607 1.00 0.00 C ATOM 1494 C ASP A 94 -7.938 -13.954 -4.824 1.00 0.00 C ATOM 1495 O ASP A 94 -9.154 -13.805 -4.699 1.00 0.00 O ATOM 1496 CB ASP A 94 -6.792 -12.579 -3.097 1.00 0.00 C ATOM 1497 CG ASP A 94 -5.926 -12.538 -1.858 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -6.465 -12.700 -0.743 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -4.705 -12.344 -1.991 1.00 0.00 O ATOM 0 H ASP A 94 -5.021 -14.026 -4.195 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.512 -14.584 -2.819 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.320 -11.991 -3.884 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.751 -12.109 -2.880 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.317 -14.069 -6.003 1.00 0.00 N ATOM 1505 CA ASN A 95 -8.019 -14.032 -7.284 1.00 0.00 C ATOM 1506 C ASN A 95 -8.709 -12.677 -7.478 1.00 0.00 C ATOM 1507 O ASN A 95 -9.583 -12.506 -8.325 1.00 0.00 O ATOM 1508 CB ASN A 95 -9.010 -15.206 -7.367 1.00 0.00 C ATOM 1509 CG ASN A 95 -9.765 -15.296 -8.682 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -10.900 -14.829 -8.796 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -9.140 -15.890 -9.682 1.00 0.00 N ATOM 0 H ASN A 95 -6.308 -14.191 -6.092 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.302 -14.144 -8.097 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.466 -16.137 -7.210 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.730 -15.116 -6.554 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.597 -15.975 -10.590 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.201 -16.263 -9.546 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.252 -11.695 -6.717 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.857 -10.377 -6.716 1.00 0.00 C ATOM 1520 C ASN A 96 -7.806 -9.329 -6.387 1.00 0.00 C ATOM 1521 O ASN A 96 -7.223 -9.342 -5.301 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.003 -10.345 -5.697 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.547 -8.951 -5.461 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.112 -8.247 -4.553 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.505 -8.544 -6.276 1.00 0.00 N ATOM 0 H ASN A 96 -7.456 -11.790 -6.087 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.262 -10.154 -7.703 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.810 -10.990 -6.046 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.652 -10.757 -4.751 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.910 -7.615 -6.163 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.839 -9.159 -7.018 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.565 -8.431 -7.339 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.511 -7.428 -7.221 1.00 0.00 C ATOM 1534 C ALA A 97 -6.725 -6.516 -6.019 1.00 0.00 C ATOM 1535 O ALA A 97 -5.762 -6.086 -5.384 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.424 -6.604 -8.497 1.00 0.00 C ATOM 0 H ALA A 97 -8.093 -8.378 -8.210 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.570 -7.957 -7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.634 -5.860 -8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.200 -7.259 -9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.376 -6.102 -8.672 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.985 -6.228 -5.704 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.306 -5.363 -4.573 1.00 0.00 C ATOM 1544 C CYS A 98 -7.776 -5.957 -3.268 1.00 0.00 C ATOM 1545 O CYS A 98 -7.171 -5.254 -2.462 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.819 -5.131 -4.455 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.599 -4.423 -5.943 1.00 0.00 S ATOM 0 H CYS A 98 -8.796 -6.579 -6.213 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.822 -4.403 -4.753 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.302 -6.081 -4.225 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -10.006 -4.466 -3.612 1.00 0.00 H new ATOM 1552 N HIS A 99 -7.975 -7.257 -3.070 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.583 -7.893 -1.818 1.00 0.00 C ATOM 1554 C HIS A 99 -6.103 -8.248 -1.839 1.00 0.00 C ATOM 1555 O HIS A 99 -5.474 -8.372 -0.792 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.421 -9.151 -1.555 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.411 -9.596 -0.116 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -7.594 -10.596 0.365 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -9.125 -9.158 0.951 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -7.803 -10.749 1.659 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.726 -9.890 2.039 1.00 0.00 N ATOM 0 H HIS A 99 -8.401 -7.884 -3.753 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.764 -7.183 -1.011 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.450 -8.961 -1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.048 -9.963 -2.180 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -6.931 -11.134 -0.192 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.870 -8.377 0.944 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.301 -11.460 2.299 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.556 -8.403 -3.036 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.140 -8.728 -3.197 1.00 0.00 C ATOM 1572 C TRP A 100 -3.278 -7.558 -2.728 1.00 0.00 C ATOM 1573 O TRP A 100 -2.413 -7.714 -1.862 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.835 -9.069 -4.664 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.455 -9.618 -4.895 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.555 -10.023 -3.949 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.828 -9.845 -6.165 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.408 -10.476 -4.553 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.553 -10.383 -5.912 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.224 -9.646 -7.489 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.330 -10.725 -6.935 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.350 -9.986 -8.502 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.086 -10.521 -8.225 1.00 0.00 C ATOM 0 H TRP A 100 -6.069 -8.310 -3.913 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.906 -9.600 -2.586 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.567 -9.796 -5.016 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.962 -8.171 -5.268 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.722 -9.991 -2.882 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.419 -10.825 -4.068 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.196 -9.234 -7.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.305 -11.135 -6.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.647 -9.836 -9.529 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.572 -10.777 -9.042 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.538 -6.383 -3.289 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.813 -5.178 -2.912 1.00 0.00 C ATOM 1596 C ALA A 101 -3.099 -4.816 -1.465 1.00 0.00 C ATOM 1597 O ALA A 101 -2.215 -4.361 -0.736 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.198 -4.028 -3.825 1.00 0.00 C ATOM 0 H ALA A 101 -4.247 -6.240 -4.008 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.745 -5.369 -3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.649 -3.132 -3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.953 -4.284 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.269 -3.841 -3.742 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.339 -5.037 -1.054 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.758 -4.729 0.299 1.00 0.00 C ATOM 1606 C PHE A 102 -4.059 -5.644 1.299 1.00 0.00 C ATOM 1607 O PHE A 102 -3.772 -5.242 2.422 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.274 -4.850 0.427 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.807 -4.434 1.772 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -7.287 -5.373 2.673 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -6.826 -3.095 2.133 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.775 -4.983 3.907 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.312 -2.701 3.366 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.787 -3.646 4.253 1.00 0.00 C ATOM 0 H PHE A 102 -5.073 -5.430 -1.643 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.474 -3.701 0.523 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.744 -4.239 -0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.564 -5.883 0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.280 -6.420 2.408 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.457 -2.351 1.443 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.147 -5.724 4.600 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.320 -1.655 3.635 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.168 -3.340 5.216 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.768 -6.872 0.874 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.104 -7.838 1.735 1.00 0.00 C ATOM 1626 C ARG A 103 -1.667 -7.405 1.980 1.00 0.00 C ATOM 1627 O ARG A 103 -1.169 -7.473 3.103 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.116 -9.233 1.110 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.770 -10.326 2.099 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.882 -11.394 1.480 1.00 0.00 C ATOM 1631 NE ARG A 103 -2.494 -12.039 0.324 1.00 0.00 N ATOM 1632 CZ ARG A 103 -2.008 -13.141 -0.234 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -0.978 -13.760 0.320 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -2.566 -13.637 -1.323 1.00 0.00 N ATOM 0 H ARG A 103 -3.983 -7.218 -0.061 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.645 -7.879 2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.103 -9.429 0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.407 -9.261 0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -2.265 -9.889 2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.687 -10.786 2.467 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -0.936 -10.944 1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.652 -12.149 2.232 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.336 -11.623 -0.075 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -0.560 -13.390 1.174 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.602 -14.607 -0.107 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.374 -13.173 -1.739 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.189 -14.484 -1.749 1.00 0.00 H new ATOM 1648 N GLY A 104 -1.015 -6.939 0.919 1.00 0.00 N ATOM 1649 CA GLY A 104 0.355 -6.475 1.029 1.00 0.00 C ATOM 1650 C GLY A 104 0.468 -5.272 1.944 1.00 0.00 C ATOM 1651 O GLY A 104 1.342 -5.214 2.810 1.00 0.00 O ATOM 0 H GLY A 104 -1.413 -6.875 -0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.983 -7.281 1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.732 -6.216 0.040 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.441 -4.324 1.759 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.448 -3.094 2.535 1.00 0.00 C ATOM 1657 C PHE A 105 -0.787 -3.372 4.001 1.00 0.00 C ATOM 1658 O PHE A 105 -0.121 -2.875 4.910 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.445 -2.113 1.915 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.666 -0.861 2.716 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -2.947 -0.434 3.029 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -0.588 -0.105 3.146 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -3.146 0.722 3.755 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -0.783 1.050 3.873 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.063 1.466 4.177 1.00 0.00 C ATOM 0 H PHE A 105 -1.190 -4.386 1.070 1.00 0.00 H new ATOM 0 HA PHE A 105 0.548 -2.651 2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.093 -1.836 0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.401 -2.620 1.785 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.798 -1.012 2.701 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.416 -0.424 2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.149 1.045 3.993 1.00 0.00 H new ATOM 0 HE2 PHE A 105 0.066 1.629 4.205 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.217 2.372 4.744 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.808 -4.195 4.215 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.269 -4.530 5.561 1.00 0.00 C ATOM 1677 C LYS A 106 -1.196 -5.300 6.330 1.00 0.00 C ATOM 1678 O LYS A 106 -0.968 -5.057 7.515 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.585 -5.325 5.489 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.849 -6.223 6.683 1.00 0.00 C ATOM 1681 CD LYS A 106 -5.176 -6.949 6.539 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.362 -7.999 7.623 1.00 0.00 C ATOM 1683 NZ LYS A 106 -4.379 -9.108 7.496 1.00 0.00 N ATOM 0 H LYS A 106 -2.337 -4.646 3.468 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.459 -3.604 6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.413 -4.623 5.389 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.575 -5.936 4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -3.042 -6.949 6.781 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.854 -5.627 7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.992 -6.228 6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.227 -7.424 5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.258 -7.532 8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.373 -8.402 7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -4.696 -9.920 8.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -4.302 -9.391 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.450 -8.789 7.838 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.535 -6.215 5.636 1.00 0.00 N ATOM 1698 CA CYS A 107 0.531 -7.013 6.223 1.00 0.00 C ATOM 1699 C CYS A 107 1.701 -6.138 6.659 1.00 0.00 C ATOM 1700 O CYS A 107 2.276 -6.332 7.734 1.00 0.00 O ATOM 1701 CB CYS A 107 1.002 -8.060 5.204 1.00 0.00 C ATOM 1702 SG CYS A 107 2.579 -8.885 5.615 1.00 0.00 S ATOM 0 H CYS A 107 -0.721 -6.424 4.655 1.00 0.00 H new ATOM 0 HA CYS A 107 0.143 -7.513 7.110 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.227 -8.820 5.103 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.104 -7.578 4.232 1.00 0.00 H new ATOM 1707 N PHE A 108 2.037 -5.164 5.824 1.00 0.00 N ATOM 1708 CA PHE A 108 3.228 -4.362 6.029 1.00 0.00 C ATOM 1709 C PHE A 108 3.027 -3.335 7.142 1.00 0.00 C ATOM 1710 O PHE A 108 3.870 -3.209 8.029 1.00 0.00 O ATOM 1711 CB PHE A 108 3.618 -3.679 4.718 1.00 0.00 C ATOM 1712 CG PHE A 108 5.025 -3.147 4.699 1.00 0.00 C ATOM 1713 CD1 PHE A 108 5.295 -1.837 5.056 1.00 0.00 C ATOM 1714 CD2 PHE A 108 6.079 -3.961 4.310 1.00 0.00 C ATOM 1715 CE1 PHE A 108 6.586 -1.348 5.028 1.00 0.00 C ATOM 1716 CE2 PHE A 108 7.371 -3.476 4.283 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.625 -2.171 4.642 1.00 0.00 C ATOM 0 H PHE A 108 1.497 -4.912 4.996 1.00 0.00 H new ATOM 0 HA PHE A 108 4.039 -5.020 6.343 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.498 -4.390 3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.927 -2.857 4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 108 4.486 -1.190 5.360 1.00 0.00 H new ATOM 0 HD2 PHE A 108 5.887 -4.985 4.025 1.00 0.00 H new ATOM 0 HE1 PHE A 108 6.783 -0.324 5.308 1.00 0.00 H new ATOM 0 HE2 PHE A 108 8.183 -4.120 3.980 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.636 -1.792 4.622 1.00 0.00 H new ATOM 1727 N GLN A 109 1.899 -2.621 7.116 1.00 0.00 N ATOM 1728 CA GLN A 109 1.636 -1.575 8.106 1.00 0.00 C ATOM 1729 C GLN A 109 1.479 -2.164 9.505 1.00 0.00 C ATOM 1730 O GLN A 109 1.653 -1.466 10.504 1.00 0.00 O ATOM 1731 CB GLN A 109 0.382 -0.771 7.754 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.926 -1.514 7.996 1.00 0.00 C ATOM 1733 CD GLN A 109 -2.145 -0.621 7.839 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -2.145 0.313 7.043 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -3.187 -0.885 8.616 1.00 0.00 N ATOM 0 H GLN A 109 1.159 -2.747 6.426 1.00 0.00 H new ATOM 0 HA GLN A 109 2.498 -0.908 8.094 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.378 0.149 8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.433 -0.481 6.705 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.000 -2.348 7.298 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.918 -1.938 9.000 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.152 -1.670 9.266 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -4.023 -0.303 8.563 1.00 0.00 H new ATOM 1744 N LYS A 110 1.158 -3.450 9.569 1.00 0.00 N ATOM 1745 CA LYS A 110 0.938 -4.125 10.836 1.00 0.00 C ATOM 1746 C LYS A 110 2.198 -4.096 11.690 1.00 0.00 C ATOM 1747 O LYS A 110 2.129 -3.955 12.909 1.00 0.00 O ATOM 1748 CB LYS A 110 0.508 -5.567 10.583 1.00 0.00 C ATOM 1749 CG LYS A 110 0.081 -6.300 11.837 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.178 -7.773 11.566 1.00 0.00 C ATOM 1751 CE LYS A 110 -0.861 -8.446 12.746 1.00 0.00 C ATOM 1752 NZ LYS A 110 -2.184 -7.836 13.045 1.00 0.00 N ATOM 0 H LYS A 110 1.044 -4.048 8.750 1.00 0.00 H new ATOM 0 HA LYS A 110 0.148 -3.603 11.376 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.317 -5.572 9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.333 -6.108 10.119 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.855 -6.201 12.598 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.822 -5.839 12.238 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.800 -7.876 10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.765 -8.276 11.355 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.991 -9.507 12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.221 -8.373 13.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.749 -8.496 13.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.047 -6.951 13.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.682 -7.634 12.155 1.00 0.00 H new ATOM 1766 N ASN A 111 3.350 -4.201 11.044 1.00 0.00 N ATOM 1767 CA ASN A 111 4.614 -4.270 11.768 1.00 0.00 C ATOM 1768 C ASN A 111 5.542 -3.118 11.403 1.00 0.00 C ATOM 1769 O ASN A 111 6.496 -2.838 12.125 1.00 0.00 O ATOM 1770 CB ASN A 111 5.314 -5.603 11.505 1.00 0.00 C ATOM 1771 CG ASN A 111 4.493 -6.795 11.968 1.00 0.00 C ATOM 1772 OD1 ASN A 111 3.795 -6.728 12.978 1.00 0.00 O ATOM 1773 ND2 ASN A 111 4.551 -7.887 11.218 1.00 0.00 N ATOM 0 H ASN A 111 3.438 -4.240 10.029 1.00 0.00 H new ATOM 0 HA ASN A 111 4.380 -4.190 12.830 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.517 -5.698 10.438 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.278 -5.610 12.015 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.004 -8.710 11.472 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.142 -7.904 10.387 1.00 0.00 H new ATOM 1780 N ASN A 112 5.271 -2.447 10.290 1.00 0.00 N ATOM 1781 CA ASN A 112 6.126 -1.348 9.846 1.00 0.00 C ATOM 1782 C ASN A 112 5.291 -0.189 9.305 1.00 0.00 C ATOM 1783 O ASN A 112 5.288 0.070 8.103 1.00 0.00 O ATOM 1784 CB ASN A 112 7.116 -1.807 8.762 1.00 0.00 C ATOM 1785 CG ASN A 112 8.117 -2.844 9.245 1.00 0.00 C ATOM 1786 OD1 ASN A 112 9.057 -2.520 9.969 1.00 0.00 O ATOM 1787 ND2 ASN A 112 7.960 -4.082 8.800 1.00 0.00 N ATOM 0 H ASN A 112 4.475 -2.640 9.682 1.00 0.00 H new ATOM 0 HA ASN A 112 6.689 -1.012 10.717 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.556 -2.220 7.923 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.658 -0.939 8.387 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.632 -4.805 9.056 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.167 -4.312 8.201 1.00 0.00 H new ATOM 1794 N LEU A 113 4.584 0.510 10.188 1.00 0.00 N ATOM 1795 CA LEU A 113 3.765 1.648 9.768 1.00 0.00 C ATOM 1796 C LEU A 113 4.572 2.945 9.794 1.00 0.00 C ATOM 1797 O LEU A 113 4.353 3.843 8.977 1.00 0.00 O ATOM 1798 CB LEU A 113 2.522 1.784 10.651 1.00 0.00 C ATOM 1799 CG LEU A 113 1.654 3.013 10.375 1.00 0.00 C ATOM 1800 CD1 LEU A 113 1.069 2.950 8.974 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.549 3.116 11.412 1.00 0.00 C ATOM 0 H LEU A 113 4.560 0.314 11.189 1.00 0.00 H new ATOM 0 HA LEU A 113 3.444 1.462 8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.909 0.891 10.526 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.839 1.810 11.694 1.00 0.00 H new ATOM 0 HG LEU A 113 2.279 3.904 10.442 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.455 3.833 8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.877 2.917 8.243 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.455 2.055 8.876 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.063 3.994 11.206 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.074 2.222 11.370 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.989 3.205 12.405 1.00 0.00 H new ATOM 1813 N SER A 114 5.514 3.034 10.725 1.00 0.00 N ATOM 1814 CA SER A 114 6.340 4.230 10.866 1.00 0.00 C ATOM 1815 C SER A 114 7.184 4.455 9.614 1.00 0.00 C ATOM 1816 O SER A 114 7.437 5.595 9.223 1.00 0.00 O ATOM 1817 CB SER A 114 7.238 4.117 12.100 1.00 0.00 C ATOM 1818 OG SER A 114 6.470 3.841 13.263 1.00 0.00 O ATOM 0 H SER A 114 5.726 2.294 11.394 1.00 0.00 H new ATOM 0 HA SER A 114 5.679 5.088 10.993 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.973 3.326 11.949 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.792 5.045 12.237 1.00 0.00 H new ATOM 0 HG SER A 114 7.065 3.771 14.039 1.00 0.00 H new ATOM 1824 N LEU A 115 7.600 3.361 8.981 1.00 0.00 N ATOM 1825 CA LEU A 115 8.361 3.435 7.742 1.00 0.00 C ATOM 1826 C LEU A 115 7.487 3.973 6.615 1.00 0.00 C ATOM 1827 O LEU A 115 7.959 4.698 5.742 1.00 0.00 O ATOM 1828 CB LEU A 115 8.895 2.055 7.368 1.00 0.00 C ATOM 1829 CG LEU A 115 9.754 2.008 6.104 1.00 0.00 C ATOM 1830 CD1 LEU A 115 11.053 2.769 6.312 1.00 0.00 C ATOM 1831 CD2 LEU A 115 10.034 0.568 5.706 1.00 0.00 C ATOM 0 H LEU A 115 7.421 2.412 9.309 1.00 0.00 H new ATOM 0 HA LEU A 115 9.201 4.113 7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.484 1.673 8.202 1.00 0.00 H new ATOM 0 HB3 LEU A 115 8.050 1.379 7.238 1.00 0.00 H new ATOM 0 HG LEU A 115 9.204 2.488 5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.651 2.724 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.831 3.809 6.550 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.610 2.320 7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.646 0.552 4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.564 0.064 6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.092 0.054 5.514 1.00 0.00 H new ATOM 1843 N ILE A 116 6.206 3.619 6.651 1.00 0.00 N ATOM 1844 CA ILE A 116 5.263 4.062 5.636 1.00 0.00 C ATOM 1845 C ILE A 116 5.037 5.565 5.755 1.00 0.00 C ATOM 1846 O ILE A 116 5.019 6.286 4.756 1.00 0.00 O ATOM 1847 CB ILE A 116 3.910 3.324 5.756 1.00 0.00 C ATOM 1848 CG1 ILE A 116 4.111 1.809 5.679 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.957 3.785 4.665 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.817 1.029 5.758 1.00 0.00 C ATOM 0 H ILE A 116 5.799 3.026 7.374 1.00 0.00 H new ATOM 0 HA ILE A 116 5.692 3.829 4.661 1.00 0.00 H new ATOM 0 HB ILE A 116 3.474 3.564 6.726 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.619 1.564 4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.767 1.495 6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 116 2.009 3.256 4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.786 4.857 4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.392 3.572 3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.031 -0.038 5.698 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.318 1.246 6.703 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.168 1.316 4.931 1.00 0.00 H new ATOM 1862 N LYS A 117 4.890 6.031 6.988 1.00 0.00 N ATOM 1863 CA LYS A 117 4.740 7.452 7.259 1.00 0.00 C ATOM 1864 C LYS A 117 5.986 8.209 6.813 1.00 0.00 C ATOM 1865 O LYS A 117 5.897 9.302 6.255 1.00 0.00 O ATOM 1866 CB LYS A 117 4.495 7.683 8.749 1.00 0.00 C ATOM 1867 CG LYS A 117 3.110 7.250 9.215 1.00 0.00 C ATOM 1868 CD LYS A 117 2.958 7.384 10.725 1.00 0.00 C ATOM 1869 CE LYS A 117 1.524 7.138 11.173 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.624 8.264 10.805 1.00 0.00 N ATOM 0 H LYS A 117 4.872 5.441 7.820 1.00 0.00 H new ATOM 0 HA LYS A 117 3.882 7.824 6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.248 7.140 9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.629 8.742 8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.352 7.856 8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.934 6.215 8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.621 6.675 11.221 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.269 8.382 11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.156 6.217 10.721 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.501 6.994 12.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.074 8.412 11.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.186 9.130 10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.130 8.038 9.918 1.00 0.00 H new ATOM 1884 N ALA A 118 7.144 7.607 7.058 1.00 0.00 N ATOM 1885 CA ALA A 118 8.422 8.190 6.676 1.00 0.00 C ATOM 1886 C ALA A 118 8.586 8.218 5.164 1.00 0.00 C ATOM 1887 O ALA A 118 9.204 9.130 4.614 1.00 0.00 O ATOM 1888 CB ALA A 118 9.547 7.397 7.303 1.00 0.00 C ATOM 0 H ALA A 118 7.222 6.704 7.526 1.00 0.00 H new ATOM 0 HA ALA A 118 8.452 9.218 7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.504 7.834 7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.448 7.420 8.388 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.501 6.365 6.957 1.00 0.00 H new ATOM 1894 N SER A 119 8.040 7.208 4.506 1.00 0.00 N ATOM 1895 CA SER A 119 8.128 7.080 3.061 1.00 0.00 C ATOM 1896 C SER A 119 7.569 8.314 2.353 1.00 0.00 C ATOM 1897 O SER A 119 8.210 8.864 1.455 1.00 0.00 O ATOM 1898 CB SER A 119 7.379 5.830 2.604 1.00 0.00 C ATOM 1899 OG SER A 119 7.550 5.608 1.218 1.00 0.00 O ATOM 0 H SER A 119 7.523 6.454 4.959 1.00 0.00 H new ATOM 0 HA SER A 119 9.181 6.992 2.795 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.738 4.964 3.160 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.318 5.936 2.830 1.00 0.00 H new ATOM 0 HG SER A 119 6.885 4.959 0.906 1.00 0.00 H new ATOM 1905 N ILE A 120 6.391 8.754 2.775 1.00 0.00 N ATOM 1906 CA ILE A 120 5.728 9.887 2.139 1.00 0.00 C ATOM 1907 C ILE A 120 6.035 11.192 2.868 1.00 0.00 C ATOM 1908 O ILE A 120 5.523 12.254 2.510 1.00 0.00 O ATOM 1909 CB ILE A 120 4.201 9.687 2.089 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.636 9.527 3.500 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.853 8.477 1.239 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.128 9.561 3.543 1.00 0.00 C ATOM 0 H ILE A 120 5.875 8.345 3.554 1.00 0.00 H new ATOM 0 HA ILE A 120 6.115 9.946 1.122 1.00 0.00 H new ATOM 0 HB ILE A 120 3.752 10.570 1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 120 3.984 8.583 3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.029 10.321 4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.771 8.349 1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.225 8.626 0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.313 7.587 1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.791 9.442 4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.774 10.515 3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.728 8.750 2.934 1.00 0.00 H new ATOM 1924 N LYS A 121 6.869 11.104 3.893 1.00 0.00 N ATOM 1925 CA LYS A 121 7.224 12.266 4.688 1.00 0.00 C ATOM 1926 C LYS A 121 8.288 13.101 3.986 1.00 0.00 C ATOM 1927 O LYS A 121 9.383 12.613 3.697 1.00 0.00 O ATOM 1928 CB LYS A 121 7.724 11.825 6.059 1.00 0.00 C ATOM 1929 CG LYS A 121 8.036 12.978 6.999 1.00 0.00 C ATOM 1930 CD LYS A 121 8.601 12.481 8.320 1.00 0.00 C ATOM 1931 CE LYS A 121 7.611 11.591 9.056 1.00 0.00 C ATOM 1932 NZ LYS A 121 8.172 11.080 10.331 1.00 0.00 N ATOM 0 H LYS A 121 7.313 10.236 4.193 1.00 0.00 H new ATOM 0 HA LYS A 121 6.334 12.883 4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.972 11.185 6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.622 11.220 5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.751 13.651 6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.129 13.554 7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 121 9.522 11.927 8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 121 8.861 13.333 8.948 1.00 0.00 H new ATOM 0 HE2 LYS A 121 6.699 12.152 9.259 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.333 10.751 8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 7.468 10.478 10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 9.028 10.523 10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 8.414 11.880 10.950 1.00 0.00 H new