USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 616 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 64 MET CE :methyl -169:sc= -0.687 (180deg=-0.755) USER MOD Set 1.2: A 65 GLN : amide:sc= -2.44! C(o=-3.1!,f=-3.8!) USER MOD Set 2.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -4:sc= 0.0848 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0284 X(o=-0.028,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.0941 K(o=-0.094,f=-1.4) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 34 CYS SG : rot 180:sc= -1.24 USER MOD Single : A 36 GLN :FLIP amide:sc=-0.00886 F(o=-2.3,f=-0.0089) USER MOD Single : A 38 HIS : no HD1:sc= -0.869 X(o=-0.87,f=-0.59) USER MOD Single : A 39 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.2) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 72:sc= 0.635 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 146:sc= 0.933 (180deg=0.272) USER MOD Single : A 54 MET CE :methyl 180:sc= -1.51 (180deg=-1.51) USER MOD Single : A 56 SER OG : rot 89:sc= 0.153 USER MOD Single : A 59 SER OG : rot -44:sc= 0.0877 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.022 F(o=-0.55,f=-0.022) USER MOD Single : A 74 CYS SG : rot 74:sc= 0.624 USER MOD Single : A 77 MET CE :methyl 162:sc= -2.01 (180deg=-4.15!) USER MOD Single : A 80 ASN : amide:sc= 0.959 K(o=0.96,f=-0.059) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N VAL A 8 -0.720 -9.380 6.086 1.00 0.00 N ATOM 99 CA VAL A 8 -1.857 -8.482 6.124 1.00 0.00 C ATOM 100 C VAL A 8 -2.213 -8.236 7.585 1.00 0.00 C ATOM 101 O VAL A 8 -3.107 -8.862 8.165 1.00 0.00 O ATOM 102 CB VAL A 8 -2.992 -9.063 5.245 1.00 0.00 C ATOM 103 CG1 VAL A 8 -4.285 -8.246 5.280 1.00 0.00 C ATOM 104 CG2 VAL A 8 -2.514 -9.142 3.789 1.00 0.00 C ATOM 0 HA VAL A 8 -1.643 -7.503 5.695 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.220 -10.046 5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.031 -8.717 4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.660 -8.202 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.087 -7.235 4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.310 -9.551 3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.254 -8.144 3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.638 -9.788 3.728 1.00 0.00 H new ATOM 114 N LYS A 9 -1.491 -7.297 8.194 1.00 0.00 N ATOM 115 CA LYS A 9 -1.611 -6.972 9.613 1.00 0.00 C ATOM 116 C LYS A 9 -1.989 -5.527 9.905 1.00 0.00 C ATOM 117 O LYS A 9 -1.657 -5.025 10.977 1.00 0.00 O ATOM 118 CB LYS A 9 -0.406 -7.471 10.394 1.00 0.00 C ATOM 119 CG LYS A 9 0.924 -6.938 9.872 1.00 0.00 C ATOM 120 CD LYS A 9 1.807 -8.158 9.650 1.00 0.00 C ATOM 121 CE LYS A 9 3.217 -7.694 9.275 1.00 0.00 C ATOM 122 NZ LYS A 9 4.222 -8.749 9.502 1.00 0.00 N ATOM 0 H LYS A 9 -0.795 -6.732 7.707 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.477 -7.523 9.980 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.517 -7.184 11.440 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.389 -8.560 10.362 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.785 -6.383 8.944 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.378 -6.253 10.588 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.839 -8.768 10.553 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.393 -8.782 8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.234 -7.396 8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.477 -6.813 9.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.163 -8.395 9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.224 -9.016 10.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.989 -9.581 8.923 1.00 0.00 H new ATOM 136 N CYS A 10 -2.684 -4.884 8.965 1.00 0.00 N ATOM 137 CA CYS A 10 -3.272 -3.556 9.057 1.00 0.00 C ATOM 138 C CYS A 10 -2.340 -2.506 9.674 1.00 0.00 C ATOM 139 O CYS A 10 -2.769 -1.615 10.398 1.00 0.00 O ATOM 140 CB CYS A 10 -4.672 -3.633 9.669 1.00 0.00 C ATOM 141 SG CYS A 10 -4.706 -4.228 11.385 1.00 0.00 S ATOM 0 H CYS A 10 -2.861 -5.313 8.056 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.404 -3.175 8.044 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.127 -2.643 9.631 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.288 -4.291 9.056 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.505 -4.565 11.751 1.00 0.00 H new ATOM 147 N THR A 11 -1.053 -2.634 9.374 1.00 0.00 N ATOM 148 CA THR A 11 0.033 -1.784 9.761 1.00 0.00 C ATOM 149 C THR A 11 -0.351 -0.375 9.285 1.00 0.00 C ATOM 150 O THR A 11 -0.764 -0.181 8.140 1.00 0.00 O ATOM 151 CB THR A 11 1.293 -2.430 9.134 1.00 0.00 C ATOM 152 OG1 THR A 11 2.462 -2.125 9.847 1.00 0.00 O ATOM 153 CG2 THR A 11 1.464 -2.131 7.640 1.00 0.00 C ATOM 0 H THR A 11 -0.729 -3.412 8.800 1.00 0.00 H new ATOM 0 HA THR A 11 0.243 -1.683 10.826 1.00 0.00 H new ATOM 0 HB THR A 11 1.123 -3.504 9.213 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.230 -2.555 9.416 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.368 -2.617 7.273 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.601 -2.509 7.092 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.545 -1.054 7.491 1.00 0.00 H new ATOM 161 N SER A 12 -0.293 0.557 10.219 1.00 0.00 N ATOM 162 CA SER A 12 -0.443 2.006 10.107 1.00 0.00 C ATOM 163 C SER A 12 -1.738 2.475 9.438 1.00 0.00 C ATOM 164 O SER A 12 -1.932 2.367 8.230 1.00 0.00 O ATOM 165 CB SER A 12 0.804 2.590 9.427 1.00 0.00 C ATOM 166 OG SER A 12 1.971 2.045 10.021 1.00 0.00 O ATOM 0 H SER A 12 -0.120 0.290 11.188 1.00 0.00 H new ATOM 0 HA SER A 12 -0.530 2.392 11.123 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.788 2.365 8.361 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.808 3.676 9.524 1.00 0.00 H new ATOM 0 HG SER A 12 2.765 2.418 9.584 1.00 0.00 H new ATOM 172 N VAL A 13 -2.637 3.089 10.214 1.00 0.00 N ATOM 173 CA VAL A 13 -3.862 3.683 9.672 1.00 0.00 C ATOM 174 C VAL A 13 -3.635 4.666 8.532 1.00 0.00 C ATOM 175 O VAL A 13 -4.575 4.866 7.772 1.00 0.00 O ATOM 176 CB VAL A 13 -4.692 4.418 10.731 1.00 0.00 C ATOM 177 CG1 VAL A 13 -5.621 3.457 11.448 1.00 0.00 C ATOM 178 CG2 VAL A 13 -3.807 5.196 11.698 1.00 0.00 C ATOM 0 H VAL A 13 -2.538 3.187 11.224 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.399 2.812 9.295 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.314 5.154 10.222 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.200 4.000 12.195 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.298 2.999 10.727 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.034 2.681 11.938 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.431 5.704 12.434 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.132 4.508 12.207 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.225 5.933 11.145 1.00 0.00 H new ATOM 188 N VAL A 14 -2.424 5.222 8.379 1.00 0.00 N ATOM 189 CA VAL A 14 -2.081 6.180 7.334 1.00 0.00 C ATOM 190 C VAL A 14 -2.634 5.686 5.997 1.00 0.00 C ATOM 191 O VAL A 14 -3.253 6.476 5.268 1.00 0.00 O ATOM 192 CB VAL A 14 -0.544 6.346 7.257 1.00 0.00 C ATOM 193 CG1 VAL A 14 -0.174 7.463 6.280 1.00 0.00 C ATOM 194 CG2 VAL A 14 0.092 6.677 8.610 1.00 0.00 C ATOM 0 H VAL A 14 -1.641 5.008 8.997 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.521 7.150 7.565 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.159 5.384 6.919 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.910 7.566 6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.554 7.219 5.288 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.615 8.401 6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.170 6.781 8.489 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.323 7.612 8.988 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.118 5.875 9.317 1.00 0.00 H new ATOM 204 N LEU A 15 -2.476 4.396 5.714 1.00 0.00 N ATOM 205 CA LEU A 15 -2.973 3.761 4.507 1.00 0.00 C ATOM 206 C LEU A 15 -4.429 3.358 4.606 1.00 0.00 C ATOM 207 O LEU A 15 -5.170 3.561 3.650 1.00 0.00 O ATOM 208 CB LEU A 15 -2.137 2.552 4.066 1.00 0.00 C ATOM 209 CG LEU A 15 -1.589 1.594 5.135 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.364 0.202 4.547 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.242 2.093 5.656 1.00 0.00 C ATOM 0 H LEU A 15 -1.987 3.752 6.335 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.880 4.533 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.746 1.964 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.288 2.930 3.496 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.322 1.552 5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.976 -0.461 5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.309 -0.192 4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.647 0.264 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.133 1.404 6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.469 2.149 4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.366 3.082 6.096 1.00 0.00 H new ATOM 223 N LEU A 16 -4.863 2.754 5.708 1.00 0.00 N ATOM 224 CA LEU A 16 -6.237 2.255 5.837 1.00 0.00 C ATOM 225 C LEU A 16 -7.253 3.375 5.624 1.00 0.00 C ATOM 226 O LEU A 16 -8.273 3.193 4.957 1.00 0.00 O ATOM 227 CB LEU A 16 -6.438 1.636 7.222 1.00 0.00 C ATOM 228 CG LEU A 16 -5.933 0.196 7.427 1.00 0.00 C ATOM 229 CD1 LEU A 16 -6.644 -0.744 6.453 1.00 0.00 C ATOM 230 CD2 LEU A 16 -4.414 0.047 7.294 1.00 0.00 C ATOM 0 H LEU A 16 -4.283 2.595 6.532 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.395 1.497 5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.943 2.275 7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.504 1.656 7.450 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.171 -0.072 8.456 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.284 -1.762 6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.718 -0.709 6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.437 -0.432 5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.135 -0.995 7.451 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.104 0.359 6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.921 0.671 8.039 1.00 0.00 H new ATOM 242 N SER A 17 -6.961 4.543 6.178 1.00 0.00 N ATOM 243 CA SER A 17 -7.732 5.760 6.011 1.00 0.00 C ATOM 244 C SER A 17 -7.930 6.127 4.545 1.00 0.00 C ATOM 245 O SER A 17 -9.028 6.567 4.219 1.00 0.00 O ATOM 246 CB SER A 17 -7.060 6.880 6.822 1.00 0.00 C ATOM 247 OG SER A 17 -7.886 7.239 7.905 1.00 0.00 O ATOM 0 H SER A 17 -6.147 4.671 6.780 1.00 0.00 H new ATOM 0 HA SER A 17 -8.740 5.604 6.395 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.089 6.546 7.187 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.880 7.746 6.185 1.00 0.00 H new ATOM 0 HG SER A 17 -7.456 7.952 8.422 1.00 0.00 H new ATOM 253 N VAL A 18 -6.974 5.868 3.643 1.00 0.00 N ATOM 254 CA VAL A 18 -7.144 6.144 2.220 1.00 0.00 C ATOM 255 C VAL A 18 -8.219 5.238 1.600 1.00 0.00 C ATOM 256 O VAL A 18 -8.553 5.422 0.438 1.00 0.00 O ATOM 257 CB VAL A 18 -5.800 6.035 1.457 1.00 0.00 C ATOM 258 CG1 VAL A 18 -5.899 6.714 0.082 1.00 0.00 C ATOM 259 CG2 VAL A 18 -4.633 6.672 2.215 1.00 0.00 C ATOM 0 H VAL A 18 -6.069 5.464 3.882 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.489 7.174 2.124 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.605 4.968 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.944 6.626 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.678 6.231 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.145 7.768 0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.718 6.565 1.632 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.838 7.730 2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.510 6.175 3.177 1.00 0.00 H new ATOM 269 N LEU A 19 -8.790 4.258 2.314 1.00 0.00 N ATOM 270 CA LEU A 19 -9.857 3.435 1.753 1.00 0.00 C ATOM 271 C LEU A 19 -11.162 3.663 2.505 1.00 0.00 C ATOM 272 O LEU A 19 -12.222 3.696 1.870 1.00 0.00 O ATOM 273 CB LEU A 19 -9.454 1.960 1.766 1.00 0.00 C ATOM 274 CG LEU A 19 -8.184 1.568 0.991 1.00 0.00 C ATOM 275 CD1 LEU A 19 -8.045 2.190 -0.398 1.00 0.00 C ATOM 276 CD2 LEU A 19 -6.915 1.861 1.777 1.00 0.00 C ATOM 0 H LEU A 19 -8.530 4.021 3.272 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.018 3.729 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.323 1.655 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.286 1.380 1.366 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.309 0.494 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.117 1.850 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.889 1.888 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.029 3.276 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.046 1.567 1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.861 2.927 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.927 1.299 2.711 1.00 0.00 H new ATOM 288 N GLN A 20 -11.070 3.833 3.826 1.00 0.00 N ATOM 289 CA GLN A 20 -12.179 4.108 4.740 1.00 0.00 C ATOM 290 C GLN A 20 -12.740 5.519 4.532 1.00 0.00 C ATOM 291 O GLN A 20 -13.933 5.724 4.739 1.00 0.00 O ATOM 292 CB GLN A 20 -11.677 3.933 6.195 1.00 0.00 C ATOM 293 CG GLN A 20 -11.189 2.504 6.483 1.00 0.00 C ATOM 294 CD GLN A 20 -10.697 2.210 7.907 1.00 0.00 C ATOM 295 OE1 GLN A 20 -11.170 1.286 8.563 1.00 0.00 O ATOM 296 NE2 GLN A 20 -9.670 2.882 8.399 1.00 0.00 N ATOM 0 H GLN A 20 -10.174 3.780 4.311 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.989 3.407 4.538 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.865 4.635 6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.482 4.185 6.886 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.003 1.816 6.257 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.378 2.277 5.791 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.264 3.653 7.869 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.284 2.630 9.309 1.00 0.00 H new ATOM 305 N GLN A 21 -11.923 6.473 4.069 1.00 0.00 N ATOM 306 CA GLN A 21 -12.350 7.803 3.646 1.00 0.00 C ATOM 307 C GLN A 21 -13.332 7.707 2.469 1.00 0.00 C ATOM 308 O GLN A 21 -14.057 8.662 2.212 1.00 0.00 O ATOM 309 CB GLN A 21 -11.070 8.603 3.341 1.00 0.00 C ATOM 310 CG GLN A 21 -11.211 9.933 2.595 1.00 0.00 C ATOM 311 CD GLN A 21 -9.838 10.406 2.130 1.00 0.00 C ATOM 312 OE1 GLN A 21 -9.474 10.302 0.965 1.00 0.00 O ATOM 313 NE2 GLN A 21 -8.982 10.853 3.032 1.00 0.00 N ATOM 0 H GLN A 21 -10.917 6.332 3.977 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.908 8.326 4.423 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.569 8.803 4.288 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.407 7.963 2.759 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.875 9.813 1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.663 10.681 3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.270 10.945 4.006 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.034 11.106 2.754 1.00 0.00 H new ATOM 322 N LEU A 22 -13.384 6.577 1.753 1.00 0.00 N ATOM 323 CA LEU A 22 -14.141 6.477 0.525 1.00 0.00 C ATOM 324 C LEU A 22 -15.382 5.636 0.754 1.00 0.00 C ATOM 325 O LEU A 22 -16.411 6.221 1.088 1.00 0.00 O ATOM 326 CB LEU A 22 -13.265 5.998 -0.628 1.00 0.00 C ATOM 327 CG LEU A 22 -12.127 6.965 -1.004 1.00 0.00 C ATOM 328 CD1 LEU A 22 -12.507 8.407 -1.317 1.00 0.00 C ATOM 329 CD2 LEU A 22 -11.005 6.975 0.018 1.00 0.00 C ATOM 0 H LEU A 22 -12.901 5.718 2.017 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.487 7.466 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.833 5.033 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.894 5.837 -1.504 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.796 6.534 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.610 8.974 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -13.194 8.427 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.989 8.853 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.231 7.674 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.398 7.283 0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.579 5.975 0.101 1.00 0.00 H new ATOM 341 N ARG A 23 -15.310 4.305 0.630 1.00 0.00 N ATOM 342 CA ARG A 23 -16.438 3.349 0.725 1.00 0.00 C ATOM 343 C ARG A 23 -16.041 1.902 0.413 1.00 0.00 C ATOM 344 O ARG A 23 -16.786 1.135 -0.200 1.00 0.00 O ATOM 345 CB ARG A 23 -17.713 3.780 -0.041 1.00 0.00 C ATOM 346 CG ARG A 23 -17.495 4.427 -1.376 1.00 0.00 C ATOM 347 CD ARG A 23 -16.593 3.577 -2.247 1.00 0.00 C ATOM 348 NE ARG A 23 -17.191 2.413 -2.925 1.00 0.00 N ATOM 349 CZ ARG A 23 -18.151 2.406 -3.854 1.00 0.00 C ATOM 350 NH1 ARG A 23 -18.820 3.511 -4.168 1.00 0.00 N ATOM 351 NH2 ARG A 23 -18.409 1.271 -4.489 1.00 0.00 N ATOM 0 H ARG A 23 -14.423 3.835 0.452 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.711 3.378 1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.340 2.900 -0.185 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -18.273 4.472 0.588 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -18.453 4.575 -1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -17.051 5.413 -1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.159 4.223 -3.010 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.771 3.218 -1.628 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.827 1.500 -2.651 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.604 4.389 -3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.549 3.481 -4.881 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.879 0.429 -4.264 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.137 1.240 -5.202 1.00 0.00 H new ATOM 365 N VAL A 24 -14.782 1.585 0.688 1.00 0.00 N ATOM 366 CA VAL A 24 -14.182 0.285 0.406 1.00 0.00 C ATOM 367 C VAL A 24 -15.057 -0.821 0.985 1.00 0.00 C ATOM 368 O VAL A 24 -15.716 -0.639 2.005 1.00 0.00 O ATOM 369 CB VAL A 24 -12.735 0.245 0.943 1.00 0.00 C ATOM 370 CG1 VAL A 24 -12.679 0.444 2.462 1.00 0.00 C ATOM 371 CG2 VAL A 24 -11.976 -1.034 0.556 1.00 0.00 C ATOM 0 H VAL A 24 -14.133 2.240 1.124 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.126 0.122 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.232 1.082 0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.642 0.408 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -13.110 1.412 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -13.246 -0.347 2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.967 -0.996 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.498 -1.903 0.957 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.924 -1.112 -0.530 1.00 0.00 H new ATOM 381 N GLU A 25 -15.040 -1.973 0.335 1.00 0.00 N ATOM 382 CA GLU A 25 -15.679 -3.184 0.825 1.00 0.00 C ATOM 383 C GLU A 25 -14.601 -4.094 1.412 1.00 0.00 C ATOM 384 O GLU A 25 -13.617 -4.386 0.734 1.00 0.00 O ATOM 385 CB GLU A 25 -16.439 -3.862 -0.320 1.00 0.00 C ATOM 386 CG GLU A 25 -17.605 -2.981 -0.795 1.00 0.00 C ATOM 387 CD GLU A 25 -18.640 -3.758 -1.618 1.00 0.00 C ATOM 388 OE1 GLU A 25 -18.240 -4.625 -2.436 1.00 0.00 O ATOM 389 OE2 GLU A 25 -19.855 -3.527 -1.438 1.00 0.00 O ATOM 0 H GLU A 25 -14.574 -2.095 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.404 -2.955 1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.760 -4.054 -1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.819 -4.829 0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.095 -2.537 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -17.213 -2.160 -1.395 1.00 0.00 H new ATOM 396 N SER A 26 -14.788 -4.539 2.658 1.00 0.00 N ATOM 397 CA SER A 26 -13.939 -5.517 3.338 1.00 0.00 C ATOM 398 C SER A 26 -13.770 -6.774 2.477 1.00 0.00 C ATOM 399 O SER A 26 -12.665 -7.248 2.231 1.00 0.00 O ATOM 400 CB SER A 26 -14.564 -5.861 4.702 1.00 0.00 C ATOM 401 OG SER A 26 -15.891 -6.370 4.598 1.00 0.00 O ATOM 0 H SER A 26 -15.561 -4.216 3.239 1.00 0.00 H new ATOM 0 HA SER A 26 -12.948 -5.093 3.497 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.938 -6.597 5.206 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.572 -4.968 5.327 1.00 0.00 H new ATOM 0 HG SER A 26 -16.235 -6.572 5.493 1.00 0.00 H new ATOM 407 N SER A 27 -14.897 -7.281 1.981 1.00 0.00 N ATOM 408 CA SER A 27 -15.098 -8.422 1.100 1.00 0.00 C ATOM 409 C SER A 27 -14.608 -8.187 -0.337 1.00 0.00 C ATOM 410 O SER A 27 -15.227 -8.689 -1.284 1.00 0.00 O ATOM 411 CB SER A 27 -16.607 -8.682 1.128 1.00 0.00 C ATOM 412 OG SER A 27 -17.002 -9.070 2.430 1.00 0.00 O ATOM 0 H SER A 27 -15.791 -6.850 2.216 1.00 0.00 H new ATOM 0 HA SER A 27 -14.512 -9.273 1.446 1.00 0.00 H new ATOM 0 HB2 SER A 27 -17.146 -7.784 0.827 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.864 -9.463 0.412 1.00 0.00 H new ATOM 0 HG SER A 27 -17.968 -9.234 2.444 1.00 0.00 H new ATOM 418 N SER A 28 -13.558 -7.389 -0.525 1.00 0.00 N ATOM 419 CA SER A 28 -13.012 -7.028 -1.816 1.00 0.00 C ATOM 420 C SER A 28 -11.501 -7.015 -1.708 1.00 0.00 C ATOM 421 O SER A 28 -10.943 -6.459 -0.759 1.00 0.00 O ATOM 422 CB SER A 28 -13.505 -5.632 -2.194 1.00 0.00 C ATOM 423 OG SER A 28 -13.278 -5.340 -3.559 1.00 0.00 O ATOM 0 H SER A 28 -13.051 -6.965 0.252 1.00 0.00 H new ATOM 0 HA SER A 28 -13.328 -7.742 -2.576 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.571 -5.554 -1.979 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.000 -4.890 -1.576 1.00 0.00 H new ATOM 0 HG SER A 28 -13.609 -4.440 -3.760 1.00 0.00 H new ATOM 429 N LYS A 29 -10.834 -7.493 -2.763 1.00 0.00 N ATOM 430 CA LYS A 29 -9.376 -7.434 -2.862 1.00 0.00 C ATOM 431 C LYS A 29 -8.835 -6.029 -2.669 1.00 0.00 C ATOM 432 O LYS A 29 -7.672 -5.877 -2.320 1.00 0.00 O ATOM 433 CB LYS A 29 -8.872 -8.086 -4.156 1.00 0.00 C ATOM 434 CG LYS A 29 -8.608 -7.148 -5.344 1.00 0.00 C ATOM 435 CD LYS A 29 -9.872 -6.486 -5.903 1.00 0.00 C ATOM 436 CE LYS A 29 -9.464 -5.132 -6.461 1.00 0.00 C ATOM 437 NZ LYS A 29 -9.128 -5.205 -7.900 1.00 0.00 N ATOM 0 H LYS A 29 -11.287 -7.928 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.978 -8.021 -2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.948 -8.619 -3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.602 -8.833 -4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.910 -6.371 -5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.123 -7.713 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.317 -7.105 -6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.622 -6.369 -5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.276 -4.420 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.605 -4.755 -5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.855 -4.261 -8.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.337 -5.865 -8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.956 -5.540 -8.433 1.00 0.00 H new ATOM 451 N LEU A 30 -9.647 -5.008 -2.936 1.00 0.00 N ATOM 452 CA LEU A 30 -9.287 -3.601 -2.827 1.00 0.00 C ATOM 453 C LEU A 30 -8.814 -3.250 -1.420 1.00 0.00 C ATOM 454 O LEU A 30 -7.826 -2.537 -1.247 1.00 0.00 O ATOM 455 CB LEU A 30 -10.491 -2.748 -3.253 1.00 0.00 C ATOM 456 CG LEU A 30 -10.151 -1.340 -3.756 1.00 0.00 C ATOM 457 CD1 LEU A 30 -9.642 -0.342 -2.709 1.00 0.00 C ATOM 458 CD2 LEU A 30 -9.164 -1.405 -4.922 1.00 0.00 C ATOM 0 H LEU A 30 -10.609 -5.146 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.448 -3.391 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.030 -3.277 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.170 -2.659 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.116 -0.944 -4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.437 0.615 -3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.399 -0.207 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.727 -0.724 -2.256 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.937 -0.395 -5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.246 -1.893 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.605 -1.974 -5.741 1.00 0.00 H new ATOM 470 N TRP A 31 -9.477 -3.801 -0.411 1.00 0.00 N ATOM 471 CA TRP A 31 -9.034 -3.651 0.965 1.00 0.00 C ATOM 472 C TRP A 31 -7.614 -4.177 1.150 1.00 0.00 C ATOM 473 O TRP A 31 -6.816 -3.584 1.873 1.00 0.00 O ATOM 474 CB TRP A 31 -9.980 -4.383 1.913 1.00 0.00 C ATOM 475 CG TRP A 31 -9.540 -4.227 3.328 1.00 0.00 C ATOM 476 CD1 TRP A 31 -9.687 -3.095 4.035 1.00 0.00 C ATOM 477 CD2 TRP A 31 -8.758 -5.125 4.167 1.00 0.00 C ATOM 478 NE1 TRP A 31 -9.101 -3.237 5.273 1.00 0.00 N ATOM 479 CE2 TRP A 31 -8.560 -4.499 5.433 1.00 0.00 C ATOM 480 CE3 TRP A 31 -8.184 -6.399 3.982 1.00 0.00 C ATOM 481 CZ2 TRP A 31 -7.956 -5.172 6.508 1.00 0.00 C ATOM 482 CZ3 TRP A 31 -7.562 -7.077 5.043 1.00 0.00 C ATOM 483 CH2 TRP A 31 -7.506 -6.490 6.318 1.00 0.00 C ATOM 0 H TRP A 31 -10.325 -4.357 -0.523 1.00 0.00 H new ATOM 0 HA TRP A 31 -9.041 -2.587 1.200 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -10.991 -3.993 1.797 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -10.015 -5.441 1.653 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -10.190 -2.206 3.685 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -9.070 -2.504 5.982 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -8.223 -6.862 3.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.839 -4.685 7.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -7.126 -8.051 4.878 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.117 -7.052 7.154 1.00 0.00 H new ATOM 494 N ALA A 32 -7.268 -5.263 0.475 1.00 0.00 N ATOM 495 CA ALA A 32 -5.931 -5.814 0.576 1.00 0.00 C ATOM 496 C ALA A 32 -4.928 -5.132 -0.356 1.00 0.00 C ATOM 497 O ALA A 32 -3.757 -5.027 -0.010 1.00 0.00 O ATOM 498 CB ALA A 32 -5.982 -7.321 0.362 1.00 0.00 C ATOM 0 H ALA A 32 -7.894 -5.776 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.563 -5.613 1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.976 -7.734 0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.619 -7.775 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.388 -7.535 -0.627 1.00 0.00 H new ATOM 504 N GLN A 33 -5.373 -4.606 -1.498 1.00 0.00 N ATOM 505 CA GLN A 33 -4.543 -4.003 -2.539 1.00 0.00 C ATOM 506 C GLN A 33 -3.643 -2.876 -2.045 1.00 0.00 C ATOM 507 O GLN A 33 -2.675 -2.528 -2.722 1.00 0.00 O ATOM 508 CB GLN A 33 -5.457 -3.422 -3.628 1.00 0.00 C ATOM 509 CG GLN A 33 -5.790 -4.441 -4.707 1.00 0.00 C ATOM 510 CD GLN A 33 -4.631 -4.563 -5.686 1.00 0.00 C ATOM 511 OE1 GLN A 33 -3.740 -5.390 -5.504 1.00 0.00 O ATOM 512 NE2 GLN A 33 -4.597 -3.720 -6.704 1.00 0.00 N ATOM 0 H GLN A 33 -6.366 -4.588 -1.732 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.896 -4.799 -2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.380 -3.065 -3.172 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.972 -2.559 -4.084 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.996 -5.410 -4.252 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.694 -4.139 -5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.350 -3.044 -6.831 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.818 -3.746 -7.362 1.00 0.00 H new ATOM 521 N CYS A 34 -3.995 -2.265 -0.918 1.00 0.00 N ATOM 522 CA CYS A 34 -3.222 -1.177 -0.343 1.00 0.00 C ATOM 523 C CYS A 34 -2.392 -1.728 0.813 1.00 0.00 C ATOM 524 O CYS A 34 -1.178 -1.540 0.837 1.00 0.00 O ATOM 525 CB CYS A 34 -4.161 -0.032 0.050 1.00 0.00 C ATOM 526 SG CYS A 34 -3.554 1.572 -0.540 1.00 0.00 S ATOM 0 H CYS A 34 -4.825 -2.513 -0.380 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.522 -0.755 -1.064 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.153 -0.218 -0.361 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.266 -0.004 1.135 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.384 2.507 -0.184 1.00 0.00 H new ATOM 532 N VAL A 35 -3.033 -2.461 1.725 1.00 0.00 N ATOM 533 CA VAL A 35 -2.403 -3.097 2.867 1.00 0.00 C ATOM 534 C VAL A 35 -1.238 -3.979 2.427 1.00 0.00 C ATOM 535 O VAL A 35 -0.103 -3.704 2.811 1.00 0.00 O ATOM 536 CB VAL A 35 -3.464 -3.832 3.711 1.00 0.00 C ATOM 537 CG1 VAL A 35 -2.833 -4.691 4.814 1.00 0.00 C ATOM 538 CG2 VAL A 35 -4.475 -2.875 4.352 1.00 0.00 C ATOM 0 H VAL A 35 -4.038 -2.629 1.681 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.962 -2.340 3.516 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.989 -4.478 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.619 -5.189 5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.181 -5.439 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.250 -4.056 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.198 -3.446 4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.952 -2.178 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.995 -2.319 3.572 1.00 0.00 H new ATOM 548 N GLN A 36 -1.464 -5.049 1.663 1.00 0.00 N ATOM 549 CA GLN A 36 -0.401 -6.008 1.387 1.00 0.00 C ATOM 550 C GLN A 36 0.753 -5.366 0.610 1.00 0.00 C ATOM 551 O GLN A 36 1.897 -5.784 0.759 1.00 0.00 O ATOM 552 CB GLN A 36 -0.949 -7.251 0.669 1.00 0.00 C ATOM 553 CG GLN A 36 -1.406 -7.009 -0.776 1.00 0.00 C ATOM 554 CD GLN A 36 -0.414 -7.637 -1.755 1.00 0.00 C ATOM 555 OE1 GLN A 36 0.705 -6.983 -2.001 1.00 0.00 O flip ATOM 556 NE2 GLN A 36 -0.628 -8.749 -2.239 1.00 0.00 N flip ATOM 0 H GLN A 36 -2.361 -5.269 1.231 1.00 0.00 H new ATOM 0 HA GLN A 36 0.005 -6.335 2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.178 -8.022 0.667 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.790 -7.642 1.241 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.398 -7.435 -0.928 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.487 -5.939 -0.965 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.501 -9.235 -2.034 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.068 -9.184 -2.845 1.00 0.00 H new ATOM 565 N LEU A 37 0.475 -4.370 -0.240 1.00 0.00 N ATOM 566 CA LEU A 37 1.519 -3.755 -1.053 1.00 0.00 C ATOM 567 C LEU A 37 2.456 -2.906 -0.187 1.00 0.00 C ATOM 568 O LEU A 37 3.594 -2.691 -0.580 1.00 0.00 O ATOM 569 CB LEU A 37 0.902 -2.968 -2.226 1.00 0.00 C ATOM 570 CG LEU A 37 1.797 -2.967 -3.492 1.00 0.00 C ATOM 571 CD1 LEU A 37 0.955 -3.055 -4.771 1.00 0.00 C ATOM 572 CD2 LEU A 37 2.669 -1.720 -3.613 1.00 0.00 C ATOM 0 H LEU A 37 -0.457 -3.979 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 37 2.134 -4.539 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.068 -3.398 -2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.724 -1.939 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 37 2.437 -3.842 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.612 -3.052 -5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.372 -3.976 -4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.281 -2.200 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.270 -1.783 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.034 -0.835 -3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.326 -1.650 -2.746 1.00 0.00 H new ATOM 584 N HIS A 38 2.021 -2.478 1.005 1.00 0.00 N ATOM 585 CA HIS A 38 2.865 -1.766 1.958 1.00 0.00 C ATOM 586 C HIS A 38 4.080 -2.608 2.342 1.00 0.00 C ATOM 587 O HIS A 38 5.212 -2.181 2.133 1.00 0.00 O ATOM 588 CB HIS A 38 2.044 -1.355 3.188 1.00 0.00 C ATOM 589 CG HIS A 38 2.767 -0.452 4.157 1.00 0.00 C ATOM 590 ND1 HIS A 38 3.552 -0.845 5.221 1.00 0.00 N ATOM 591 CD2 HIS A 38 2.677 0.912 4.193 1.00 0.00 C ATOM 592 CE1 HIS A 38 3.901 0.266 5.896 1.00 0.00 C ATOM 593 NE2 HIS A 38 3.380 1.360 5.314 1.00 0.00 N ATOM 0 H HIS A 38 1.065 -2.620 1.332 1.00 0.00 H new ATOM 0 HA HIS A 38 3.240 -0.857 1.487 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.138 -0.852 2.851 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.731 -2.256 3.716 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.155 1.533 3.481 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.516 0.277 6.784 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.478 2.325 5.628 1.00 0.00 H new ATOM 601 N ASN A 39 3.870 -3.806 2.902 1.00 0.00 N ATOM 602 CA ASN A 39 4.994 -4.652 3.312 1.00 0.00 C ATOM 603 C ASN A 39 5.838 -5.092 2.115 1.00 0.00 C ATOM 604 O ASN A 39 7.051 -5.252 2.256 1.00 0.00 O ATOM 605 CB ASN A 39 4.563 -5.860 4.147 1.00 0.00 C ATOM 606 CG ASN A 39 3.725 -6.828 3.347 1.00 0.00 C ATOM 607 OD1 ASN A 39 4.237 -7.673 2.619 1.00 0.00 O ATOM 608 ND2 ASN A 39 2.412 -6.735 3.462 1.00 0.00 N ATOM 0 H ASN A 39 2.948 -4.205 3.079 1.00 0.00 H new ATOM 0 HA ASN A 39 5.614 -4.029 3.957 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.447 -6.373 4.527 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.996 -5.519 5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.808 -7.371 2.941 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.002 -6.027 4.071 1.00 0.00 H new ATOM 615 N ASP A 40 5.250 -5.197 0.919 1.00 0.00 N ATOM 616 CA ASP A 40 5.991 -5.554 -0.290 1.00 0.00 C ATOM 617 C ASP A 40 7.075 -4.507 -0.630 1.00 0.00 C ATOM 618 O ASP A 40 7.928 -4.817 -1.466 1.00 0.00 O ATOM 619 CB ASP A 40 5.053 -5.741 -1.508 1.00 0.00 C ATOM 620 CG ASP A 40 4.369 -7.107 -1.675 1.00 0.00 C ATOM 621 OD1 ASP A 40 4.746 -8.117 -1.037 1.00 0.00 O ATOM 622 OD2 ASP A 40 3.472 -7.224 -2.546 1.00 0.00 O ATOM 0 H ASP A 40 4.254 -5.038 0.764 1.00 0.00 H new ATOM 0 HA ASP A 40 6.479 -6.505 -0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.275 -4.980 -1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.630 -5.542 -2.411 1.00 0.00 H new ATOM 627 N ILE A 41 7.109 -3.303 -0.018 1.00 0.00 N ATOM 628 CA ILE A 41 8.106 -2.279 -0.343 1.00 0.00 C ATOM 629 C ILE A 41 9.370 -2.668 0.413 1.00 0.00 C ATOM 630 O ILE A 41 10.471 -2.708 -0.138 1.00 0.00 O ATOM 631 CB ILE A 41 7.605 -0.865 0.063 1.00 0.00 C ATOM 632 CG1 ILE A 41 6.245 -0.479 -0.558 1.00 0.00 C ATOM 633 CG2 ILE A 41 8.621 0.256 -0.223 1.00 0.00 C ATOM 634 CD1 ILE A 41 6.081 -0.756 -2.047 1.00 0.00 C ATOM 0 H ILE A 41 6.449 -3.023 0.708 1.00 0.00 H new ATOM 0 HA ILE A 41 8.295 -2.231 -1.415 1.00 0.00 H new ATOM 0 HB ILE A 41 7.476 -0.952 1.142 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.460 -1.013 -0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.081 0.585 -0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.203 1.214 0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.539 0.065 0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.841 0.284 -1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.087 -0.444 -2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.834 -0.200 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.204 -1.823 -2.234 1.00 0.00 H new ATOM 646 N LEU A 42 9.197 -2.998 1.691 1.00 0.00 N ATOM 647 CA LEU A 42 10.266 -3.371 2.587 1.00 0.00 C ATOM 648 C LEU A 42 10.801 -4.764 2.270 1.00 0.00 C ATOM 649 O LEU A 42 11.842 -5.139 2.800 1.00 0.00 O ATOM 650 CB LEU A 42 9.733 -3.316 4.023 1.00 0.00 C ATOM 651 CG LEU A 42 9.028 -2.011 4.448 1.00 0.00 C ATOM 652 CD1 LEU A 42 9.797 -0.763 4.045 1.00 0.00 C ATOM 653 CD2 LEU A 42 7.554 -1.809 4.138 1.00 0.00 C ATOM 0 H LEU A 42 8.279 -3.011 2.135 1.00 0.00 H new ATOM 0 HA LEU A 42 11.096 -2.675 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.034 -4.141 4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.567 -3.490 4.703 1.00 0.00 H new ATOM 0 HG LEU A 42 9.038 -2.168 5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.251 0.122 4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.781 -0.775 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.911 -0.740 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.234 -0.836 4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.400 -1.853 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.970 -2.593 4.620 1.00 0.00 H new ATOM 665 N LEU A 43 10.134 -5.529 1.404 1.00 0.00 N ATOM 666 CA LEU A 43 10.556 -6.858 0.956 1.00 0.00 C ATOM 667 C LEU A 43 10.966 -6.826 -0.525 1.00 0.00 C ATOM 668 O LEU A 43 11.135 -7.877 -1.149 1.00 0.00 O ATOM 669 CB LEU A 43 9.441 -7.882 1.260 1.00 0.00 C ATOM 670 CG LEU A 43 9.503 -8.455 2.693 1.00 0.00 C ATOM 671 CD1 LEU A 43 9.337 -7.413 3.809 1.00 0.00 C ATOM 672 CD2 LEU A 43 8.417 -9.515 2.869 1.00 0.00 C ATOM 0 H LEU A 43 9.255 -5.231 0.981 1.00 0.00 H new ATOM 0 HA LEU A 43 11.443 -7.174 1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.472 -7.407 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.508 -8.703 0.546 1.00 0.00 H new ATOM 0 HG LEU A 43 10.506 -8.870 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.394 -7.907 4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.130 -6.669 3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.369 -6.923 3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.463 -9.918 3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.439 -9.065 2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.574 -10.320 2.151 1.00 0.00 H new ATOM 684 N ALA A 44 11.120 -5.638 -1.119 1.00 0.00 N ATOM 685 CA ALA A 44 11.647 -5.461 -2.475 1.00 0.00 C ATOM 686 C ALA A 44 13.155 -5.749 -2.550 1.00 0.00 C ATOM 687 O ALA A 44 13.801 -6.066 -1.543 1.00 0.00 O ATOM 688 CB ALA A 44 11.354 -4.041 -2.952 1.00 0.00 C ATOM 0 H ALA A 44 10.878 -4.758 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 44 11.151 -6.180 -3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.745 -3.908 -3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.277 -3.873 -2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.830 -3.326 -2.281 1.00 0.00 H new ATOM 694 N LYS A 45 13.712 -5.680 -3.761 1.00 0.00 N ATOM 695 CA LYS A 45 15.119 -5.929 -4.060 1.00 0.00 C ATOM 696 C LYS A 45 15.919 -4.642 -3.848 1.00 0.00 C ATOM 697 O LYS A 45 16.487 -4.444 -2.767 1.00 0.00 O ATOM 698 CB LYS A 45 15.272 -6.487 -5.483 1.00 0.00 C ATOM 699 CG LYS A 45 14.491 -7.793 -5.693 1.00 0.00 C ATOM 700 CD LYS A 45 14.734 -8.319 -7.110 1.00 0.00 C ATOM 701 CE LYS A 45 13.455 -8.967 -7.646 1.00 0.00 C ATOM 702 NZ LYS A 45 13.573 -9.359 -9.061 1.00 0.00 N ATOM 0 H LYS A 45 13.171 -5.439 -4.592 1.00 0.00 H new ATOM 0 HA LYS A 45 15.516 -6.684 -3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.927 -5.742 -6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 45 16.328 -6.662 -5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.804 -8.537 -4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.426 -7.620 -5.537 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.041 -7.503 -7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.546 -9.046 -7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.218 -9.846 -7.047 1.00 0.00 H new ATOM 0 HE3 LYS A 45 12.624 -8.271 -7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.682 -9.793 -9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.772 -8.518 -9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.348 -10.044 -9.168 1.00 0.00 H new ATOM 716 N ASP A 46 15.967 -3.766 -4.856 1.00 0.00 N ATOM 717 CA ASP A 46 16.633 -2.471 -4.751 1.00 0.00 C ATOM 718 C ASP A 46 15.710 -1.515 -4.022 1.00 0.00 C ATOM 719 O ASP A 46 14.536 -1.798 -3.789 1.00 0.00 O ATOM 720 CB ASP A 46 16.946 -1.815 -6.109 1.00 0.00 C ATOM 721 CG ASP A 46 17.777 -2.680 -7.045 1.00 0.00 C ATOM 722 OD1 ASP A 46 18.894 -3.065 -6.638 1.00 0.00 O ATOM 723 OD2 ASP A 46 17.330 -2.969 -8.175 1.00 0.00 O ATOM 0 H ASP A 46 15.544 -3.938 -5.768 1.00 0.00 H new ATOM 0 HA ASP A 46 17.575 -2.656 -4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.007 -1.564 -6.603 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.475 -0.878 -5.934 1.00 0.00 H new ATOM 728 N THR A 47 16.231 -0.331 -3.735 1.00 0.00 N ATOM 729 CA THR A 47 15.454 0.795 -3.277 1.00 0.00 C ATOM 730 C THR A 47 14.568 1.328 -4.405 1.00 0.00 C ATOM 731 O THR A 47 13.368 1.504 -4.187 1.00 0.00 O ATOM 732 CB THR A 47 16.463 1.813 -2.755 1.00 0.00 C ATOM 733 OG1 THR A 47 17.068 1.289 -1.585 1.00 0.00 O ATOM 734 CG2 THR A 47 15.824 3.156 -2.430 1.00 0.00 C ATOM 0 H THR A 47 17.227 -0.129 -3.818 1.00 0.00 H new ATOM 0 HA THR A 47 14.759 0.532 -2.480 1.00 0.00 H new ATOM 0 HB THR A 47 17.200 1.987 -3.539 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.676 0.560 -1.829 1.00 0.00 H new ATOM 0 HG21 THR A 47 16.587 3.843 -2.063 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.367 3.569 -3.329 1.00 0.00 H new ATOM 0 HG23 THR A 47 15.060 3.020 -1.665 1.00 0.00 H new ATOM 742 N THR A 48 15.123 1.551 -5.601 1.00 0.00 N ATOM 743 CA THR A 48 14.334 1.962 -6.753 1.00 0.00 C ATOM 744 C THR A 48 13.217 0.938 -6.971 1.00 0.00 C ATOM 745 O THR A 48 12.038 1.286 -6.997 1.00 0.00 O ATOM 746 CB THR A 48 15.217 2.248 -7.987 1.00 0.00 C ATOM 747 OG1 THR A 48 14.368 2.501 -9.082 1.00 0.00 O ATOM 748 CG2 THR A 48 16.208 1.131 -8.342 1.00 0.00 C ATOM 0 H THR A 48 16.120 1.452 -5.791 1.00 0.00 H new ATOM 0 HA THR A 48 13.853 2.922 -6.565 1.00 0.00 H new ATOM 0 HB THR A 48 15.838 3.109 -7.741 1.00 0.00 H new ATOM 0 HG1 THR A 48 14.908 2.687 -9.878 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.784 1.421 -9.221 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.885 0.965 -7.504 1.00 0.00 H new ATOM 0 HG23 THR A 48 15.660 0.213 -8.554 1.00 0.00 H new ATOM 756 N GLU A 49 13.568 -0.349 -6.957 1.00 0.00 N ATOM 757 CA GLU A 49 12.626 -1.435 -7.226 1.00 0.00 C ATOM 758 C GLU A 49 11.702 -1.709 -6.020 1.00 0.00 C ATOM 759 O GLU A 49 10.880 -2.628 -6.045 1.00 0.00 O ATOM 760 CB GLU A 49 13.380 -2.685 -7.721 1.00 0.00 C ATOM 761 CG GLU A 49 12.467 -3.522 -8.635 1.00 0.00 C ATOM 762 CD GLU A 49 13.105 -4.816 -9.145 1.00 0.00 C ATOM 763 OE1 GLU A 49 13.154 -5.769 -8.341 1.00 0.00 O ATOM 764 OE2 GLU A 49 13.421 -4.915 -10.363 1.00 0.00 O ATOM 0 H GLU A 49 14.516 -0.668 -6.758 1.00 0.00 H new ATOM 0 HA GLU A 49 11.958 -1.128 -8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.277 -2.388 -8.263 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.705 -3.284 -6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.556 -3.770 -8.091 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.172 -2.914 -9.490 1.00 0.00 H new ATOM 771 N ALA A 50 11.828 -0.925 -4.947 1.00 0.00 N ATOM 772 CA ALA A 50 10.845 -0.831 -3.887 1.00 0.00 C ATOM 773 C ALA A 50 9.801 0.205 -4.280 1.00 0.00 C ATOM 774 O ALA A 50 8.623 -0.119 -4.396 1.00 0.00 O ATOM 775 CB ALA A 50 11.517 -0.489 -2.551 1.00 0.00 C ATOM 0 H ALA A 50 12.640 -0.326 -4.796 1.00 0.00 H new ATOM 0 HA ALA A 50 10.351 -1.793 -3.751 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.760 -0.423 -1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.236 -1.267 -2.296 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.033 0.467 -2.638 1.00 0.00 H new ATOM 781 N PHE A 51 10.187 1.467 -4.458 1.00 0.00 N ATOM 782 CA PHE A 51 9.191 2.503 -4.700 1.00 0.00 C ATOM 783 C PHE A 51 8.551 2.360 -6.090 1.00 0.00 C ATOM 784 O PHE A 51 7.387 2.715 -6.274 1.00 0.00 O ATOM 785 CB PHE A 51 9.742 3.899 -4.390 1.00 0.00 C ATOM 786 CG PHE A 51 10.374 4.618 -5.552 1.00 0.00 C ATOM 787 CD1 PHE A 51 11.714 4.382 -5.888 1.00 0.00 C ATOM 788 CD2 PHE A 51 9.601 5.512 -6.309 1.00 0.00 C ATOM 789 CE1 PHE A 51 12.275 5.021 -7.006 1.00 0.00 C ATOM 790 CE2 PHE A 51 10.165 6.161 -7.420 1.00 0.00 C ATOM 791 CZ PHE A 51 11.503 5.914 -7.767 1.00 0.00 C ATOM 0 H PHE A 51 11.155 1.789 -4.440 1.00 0.00 H new ATOM 0 HA PHE A 51 8.370 2.363 -3.997 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.929 4.514 -4.003 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.481 3.810 -3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.313 3.711 -5.290 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.573 5.701 -6.038 1.00 0.00 H new ATOM 0 HE1 PHE A 51 13.301 4.825 -7.281 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.571 6.848 -8.005 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.939 6.412 -8.621 1.00 0.00 H new ATOM 801 N GLU A 52 9.226 1.711 -7.039 1.00 0.00 N ATOM 802 CA GLU A 52 8.674 1.361 -8.341 1.00 0.00 C ATOM 803 C GLU A 52 7.430 0.474 -8.257 1.00 0.00 C ATOM 804 O GLU A 52 6.703 0.410 -9.248 1.00 0.00 O ATOM 805 CB GLU A 52 9.745 0.689 -9.202 1.00 0.00 C ATOM 806 CG GLU A 52 10.614 1.717 -9.943 1.00 0.00 C ATOM 807 CD GLU A 52 10.220 1.782 -11.419 1.00 0.00 C ATOM 808 OE1 GLU A 52 9.226 2.456 -11.774 1.00 0.00 O ATOM 809 OE2 GLU A 52 10.894 1.118 -12.235 1.00 0.00 O ATOM 0 H GLU A 52 10.193 1.409 -6.918 1.00 0.00 H new ATOM 0 HA GLU A 52 8.355 2.295 -8.804 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.379 0.065 -8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.267 0.029 -9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.497 2.699 -9.485 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.666 1.446 -9.852 1.00 0.00 H new ATOM 816 N LYS A 53 7.132 -0.178 -7.123 1.00 0.00 N ATOM 817 CA LYS A 53 5.843 -0.850 -6.937 1.00 0.00 C ATOM 818 C LYS A 53 4.858 -0.006 -6.126 1.00 0.00 C ATOM 819 O LYS A 53 3.659 -0.154 -6.336 1.00 0.00 O ATOM 820 CB LYS A 53 6.005 -2.286 -6.405 1.00 0.00 C ATOM 821 CG LYS A 53 6.875 -2.405 -5.158 1.00 0.00 C ATOM 822 CD LYS A 53 6.574 -3.664 -4.345 1.00 0.00 C ATOM 823 CE LYS A 53 7.053 -4.965 -5.000 1.00 0.00 C ATOM 824 NZ LYS A 53 8.140 -5.622 -4.240 1.00 0.00 N ATOM 0 H LYS A 53 7.765 -0.252 -6.326 1.00 0.00 H new ATOM 0 HA LYS A 53 5.393 -0.953 -7.925 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.018 -2.691 -6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.434 -2.905 -7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.925 -2.410 -5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.724 -1.527 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.042 -3.570 -3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.498 -3.728 -4.180 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.212 -5.652 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.400 -4.751 -6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.048 -6.654 -4.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.060 -5.323 -4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.076 -5.350 -3.238 1.00 0.00 H new ATOM 838 N MET A 54 5.287 0.935 -5.273 1.00 0.00 N ATOM 839 CA MET A 54 4.305 1.821 -4.632 1.00 0.00 C ATOM 840 C MET A 54 3.684 2.773 -5.649 1.00 0.00 C ATOM 841 O MET A 54 2.486 3.050 -5.608 1.00 0.00 O ATOM 842 CB MET A 54 4.849 2.581 -3.416 1.00 0.00 C ATOM 843 CG MET A 54 5.715 3.813 -3.700 1.00 0.00 C ATOM 844 SD MET A 54 6.199 4.715 -2.216 1.00 0.00 S ATOM 845 CE MET A 54 7.351 3.529 -1.500 1.00 0.00 C ATOM 0 H MET A 54 6.261 1.099 -5.019 1.00 0.00 H new ATOM 0 HA MET A 54 3.526 1.167 -4.240 1.00 0.00 H new ATOM 0 HB2 MET A 54 4.002 2.895 -2.805 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.435 1.885 -2.815 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.613 3.500 -4.234 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.169 4.486 -4.362 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.751 3.927 -0.567 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.831 2.592 -1.301 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.169 3.349 -2.198 1.00 0.00 H new ATOM 855 N VAL A 55 4.477 3.247 -6.608 1.00 0.00 N ATOM 856 CA VAL A 55 3.994 4.095 -7.690 1.00 0.00 C ATOM 857 C VAL A 55 3.067 3.287 -8.625 1.00 0.00 C ATOM 858 O VAL A 55 2.238 3.839 -9.351 1.00 0.00 O ATOM 859 CB VAL A 55 5.215 4.759 -8.356 1.00 0.00 C ATOM 860 CG1 VAL A 55 4.814 5.706 -9.492 1.00 0.00 C ATOM 861 CG2 VAL A 55 6.005 5.594 -7.329 1.00 0.00 C ATOM 0 H VAL A 55 5.477 3.051 -6.654 1.00 0.00 H new ATOM 0 HA VAL A 55 3.362 4.909 -7.334 1.00 0.00 H new ATOM 0 HB VAL A 55 5.820 3.945 -8.755 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.709 6.149 -9.929 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.274 5.148 -10.257 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.173 6.495 -9.099 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.863 6.055 -7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.360 6.371 -6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.351 4.947 -6.523 1.00 0.00 H new ATOM 871 N SER A 56 3.076 1.958 -8.520 1.00 0.00 N ATOM 872 CA SER A 56 2.079 1.116 -9.152 1.00 0.00 C ATOM 873 C SER A 56 0.738 1.088 -8.377 1.00 0.00 C ATOM 874 O SER A 56 -0.193 0.441 -8.858 1.00 0.00 O ATOM 875 CB SER A 56 2.687 -0.263 -9.420 1.00 0.00 C ATOM 876 OG SER A 56 3.800 -0.118 -10.289 1.00 0.00 O ATOM 0 H SER A 56 3.779 1.441 -7.992 1.00 0.00 H new ATOM 0 HA SER A 56 1.802 1.544 -10.115 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.999 -0.725 -8.483 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.943 -0.922 -9.868 1.00 0.00 H new ATOM 0 HG SER A 56 4.609 0.042 -9.760 1.00 0.00 H new ATOM 882 N LEU A 57 0.541 1.846 -7.278 1.00 0.00 N ATOM 883 CA LEU A 57 -0.623 1.703 -6.381 1.00 0.00 C ATOM 884 C LEU A 57 -1.511 2.949 -6.320 1.00 0.00 C ATOM 885 O LEU A 57 -2.711 2.873 -6.570 1.00 0.00 O ATOM 886 CB LEU A 57 -0.173 1.167 -5.009 1.00 0.00 C ATOM 887 CG LEU A 57 -0.919 1.667 -3.749 1.00 0.00 C ATOM 888 CD1 LEU A 57 -0.874 0.539 -2.718 1.00 0.00 C ATOM 889 CD2 LEU A 57 -0.319 2.966 -3.181 1.00 0.00 C ATOM 0 H LEU A 57 1.189 2.578 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.289 0.955 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.252 0.080 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.883 1.407 -4.888 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.948 1.915 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.391 0.854 -1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.362 -0.346 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.164 0.304 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.881 3.271 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.722 2.797 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.373 3.752 -3.935 1.00 0.00 H new ATOM 901 N LEU A 58 -0.958 4.128 -6.084 1.00 0.00 N ATOM 902 CA LEU A 58 -1.660 5.414 -6.034 1.00 0.00 C ATOM 903 C LEU A 58 -2.320 5.854 -7.359 1.00 0.00 C ATOM 904 O LEU A 58 -2.840 6.958 -7.495 1.00 0.00 O ATOM 905 CB LEU A 58 -0.658 6.482 -5.593 1.00 0.00 C ATOM 906 CG LEU A 58 0.626 6.621 -6.442 1.00 0.00 C ATOM 907 CD1 LEU A 58 1.856 6.391 -5.562 1.00 0.00 C ATOM 908 CD2 LEU A 58 0.747 5.914 -7.800 1.00 0.00 C ATOM 0 H LEU A 58 0.043 4.226 -5.913 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.483 5.290 -5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.168 7.445 -5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.365 6.270 -4.565 1.00 0.00 H new ATOM 0 HG LEU A 58 0.550 7.649 -6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.759 6.490 -6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.873 7.129 -4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.814 5.390 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.720 6.134 -8.239 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.647 4.838 -7.660 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.040 6.268 -8.466 1.00 0.00 H new ATOM 920 N SER A 59 -2.324 5.003 -8.357 1.00 0.00 N ATOM 921 CA SER A 59 -3.050 5.136 -9.595 1.00 0.00 C ATOM 922 C SER A 59 -3.790 3.844 -9.997 1.00 0.00 C ATOM 923 O SER A 59 -4.450 3.832 -11.039 1.00 0.00 O ATOM 924 CB SER A 59 -2.097 5.627 -10.680 1.00 0.00 C ATOM 925 OG SER A 59 -2.824 6.244 -11.724 1.00 0.00 O ATOM 0 H SER A 59 -1.782 4.140 -8.322 1.00 0.00 H new ATOM 0 HA SER A 59 -3.839 5.876 -9.457 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.384 6.334 -10.256 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.520 4.790 -11.074 1.00 0.00 H new ATOM 0 HG SER A 59 -3.611 5.701 -11.940 1.00 0.00 H new ATOM 931 N VAL A 60 -3.849 2.800 -9.159 1.00 0.00 N ATOM 932 CA VAL A 60 -4.625 1.586 -9.465 1.00 0.00 C ATOM 933 C VAL A 60 -5.930 1.475 -8.655 1.00 0.00 C ATOM 934 O VAL A 60 -6.843 0.753 -9.066 1.00 0.00 O ATOM 935 CB VAL A 60 -3.706 0.362 -9.247 1.00 0.00 C ATOM 936 CG1 VAL A 60 -3.599 -0.067 -7.789 1.00 0.00 C ATOM 937 CG2 VAL A 60 -4.149 -0.845 -10.059 1.00 0.00 C ATOM 0 H VAL A 60 -3.367 2.770 -8.260 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.950 1.633 -10.504 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.727 0.702 -9.585 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.939 -0.931 -7.711 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.194 0.754 -7.197 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.588 -0.331 -7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.472 -1.678 -9.871 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.161 -1.127 -9.769 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.132 -0.596 -11.120 1.00 0.00 H new ATOM 947 N LEU A 61 -6.026 2.153 -7.508 1.00 0.00 N ATOM 948 CA LEU A 61 -7.124 2.031 -6.539 1.00 0.00 C ATOM 949 C LEU A 61 -7.963 3.315 -6.507 1.00 0.00 C ATOM 950 O LEU A 61 -9.184 3.214 -6.479 1.00 0.00 O ATOM 951 CB LEU A 61 -6.528 1.468 -5.219 1.00 0.00 C ATOM 952 CG LEU A 61 -6.185 2.369 -4.031 1.00 0.00 C ATOM 953 CD1 LEU A 61 -5.015 3.265 -4.396 1.00 0.00 C ATOM 954 CD2 LEU A 61 -7.378 3.161 -3.489 1.00 0.00 C ATOM 0 H LEU A 61 -5.317 2.826 -7.216 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.887 1.303 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.230 0.719 -4.852 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.612 0.942 -5.488 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.895 1.722 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.771 3.907 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.150 2.650 -4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.283 3.882 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.055 3.776 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.777 3.802 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.153 2.470 -3.157 1.00 0.00 H new ATOM 966 N LEU A 62 -7.337 4.487 -6.649 1.00 0.00 N ATOM 967 CA LEU A 62 -7.989 5.802 -6.658 1.00 0.00 C ATOM 968 C LEU A 62 -8.966 5.931 -7.839 1.00 0.00 C ATOM 969 O LEU A 62 -9.955 6.648 -7.724 1.00 0.00 O ATOM 970 CB LEU A 62 -6.871 6.855 -6.689 1.00 0.00 C ATOM 971 CG LEU A 62 -6.389 7.428 -5.343 1.00 0.00 C ATOM 972 CD1 LEU A 62 -6.575 6.493 -4.153 1.00 0.00 C ATOM 973 CD2 LEU A 62 -4.892 7.665 -5.405 1.00 0.00 C ATOM 0 H LEU A 62 -6.326 4.549 -6.765 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.601 5.946 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.011 6.416 -7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.211 7.687 -7.305 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.988 8.327 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.209 6.978 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.633 6.259 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.016 5.573 -4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.548 8.071 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.382 6.722 -5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.668 8.373 -6.203 1.00 0.00 H new ATOM 985 N SER A 63 -8.760 5.136 -8.887 1.00 0.00 N ATOM 986 CA SER A 63 -9.464 5.092 -10.144 1.00 0.00 C ATOM 987 C SER A 63 -10.896 4.666 -9.870 1.00 0.00 C ATOM 988 O SER A 63 -11.812 5.155 -10.524 1.00 0.00 O ATOM 989 CB SER A 63 -8.706 4.082 -11.028 1.00 0.00 C ATOM 990 OG SER A 63 -9.132 4.006 -12.367 1.00 0.00 O ATOM 0 H SER A 63 -8.016 4.439 -8.862 1.00 0.00 H new ATOM 0 HA SER A 63 -9.504 6.055 -10.653 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.647 4.340 -11.017 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.798 3.093 -10.579 1.00 0.00 H new ATOM 0 HG SER A 63 -8.592 3.342 -12.845 1.00 0.00 H new ATOM 996 N MET A 64 -11.118 3.821 -8.857 1.00 0.00 N ATOM 997 CA MET A 64 -12.463 3.398 -8.513 1.00 0.00 C ATOM 998 C MET A 64 -13.132 4.342 -7.501 1.00 0.00 C ATOM 999 O MET A 64 -14.259 4.056 -7.095 1.00 0.00 O ATOM 1000 CB MET A 64 -12.443 1.937 -8.039 1.00 0.00 C ATOM 1001 CG MET A 64 -11.817 1.730 -6.650 1.00 0.00 C ATOM 1002 SD MET A 64 -12.787 0.624 -5.601 1.00 0.00 S ATOM 1003 CE MET A 64 -12.479 1.389 -3.994 1.00 0.00 C ATOM 0 H MET A 64 -10.384 3.424 -8.270 1.00 0.00 H new ATOM 0 HA MET A 64 -13.082 3.454 -9.408 1.00 0.00 H new ATOM 0 HB2 MET A 64 -13.465 1.558 -8.024 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.892 1.339 -8.765 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.812 1.324 -6.766 1.00 0.00 H new ATOM 0 HG3 MET A 64 -11.715 2.696 -6.155 1.00 0.00 H new ATOM 0 HE1 MET A 64 -12.838 0.731 -3.203 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.409 1.556 -3.870 1.00 0.00 H new ATOM 0 HE3 MET A 64 -13.004 2.343 -3.938 1.00 0.00 H new ATOM 1013 N GLN A 65 -12.459 5.406 -7.033 1.00 0.00 N ATOM 1014 CA GLN A 65 -12.906 6.201 -5.886 1.00 0.00 C ATOM 1015 C GLN A 65 -12.559 7.702 -6.011 1.00 0.00 C ATOM 1016 O GLN A 65 -13.406 8.461 -6.486 1.00 0.00 O ATOM 1017 CB GLN A 65 -12.474 5.510 -4.567 1.00 0.00 C ATOM 1018 CG GLN A 65 -10.986 5.116 -4.534 1.00 0.00 C ATOM 1019 CD GLN A 65 -10.372 4.960 -3.161 1.00 0.00 C ATOM 1020 OE1 GLN A 65 -9.583 5.790 -2.769 1.00 0.00 O ATOM 1021 NE2 GLN A 65 -10.718 3.949 -2.397 1.00 0.00 N ATOM 0 H GLN A 65 -11.586 5.737 -7.444 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.996 6.224 -5.869 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.682 6.178 -3.732 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.081 4.617 -4.419 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.868 4.176 -5.072 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.419 5.870 -5.080 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.384 3.256 -2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.321 3.857 -1.462 1.00 0.00 H new ATOM 1030 N GLY A 66 -11.354 8.137 -5.614 1.00 0.00 N ATOM 1031 CA GLY A 66 -10.903 9.524 -5.604 1.00 0.00 C ATOM 1032 C GLY A 66 -10.509 9.978 -4.201 1.00 0.00 C ATOM 1033 O GLY A 66 -11.391 10.412 -3.469 1.00 0.00 O ATOM 0 H GLY A 66 -10.637 7.495 -5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.051 9.635 -6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.696 10.167 -5.986 1.00 0.00 H new ATOM 1037 N ALA A 67 -9.231 9.871 -3.814 1.00 0.00 N ATOM 1038 CA ALA A 67 -8.721 10.124 -2.459 1.00 0.00 C ATOM 1039 C ALA A 67 -7.577 11.149 -2.441 1.00 0.00 C ATOM 1040 O ALA A 67 -7.082 11.536 -3.507 1.00 0.00 O ATOM 1041 CB ALA A 67 -8.223 8.801 -1.873 1.00 0.00 C ATOM 0 H ALA A 67 -8.494 9.595 -4.463 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.535 10.540 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.840 8.970 -0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.046 8.088 -1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.427 8.401 -2.501 1.00 0.00 H new ATOM 1047 N VAL A 68 -7.088 11.516 -1.244 1.00 0.00 N ATOM 1048 CA VAL A 68 -6.161 12.643 -1.038 1.00 0.00 C ATOM 1049 C VAL A 68 -4.797 12.301 -0.400 1.00 0.00 C ATOM 1050 O VAL A 68 -3.791 12.936 -0.726 1.00 0.00 O ATOM 1051 CB VAL A 68 -6.865 13.735 -0.210 1.00 0.00 C ATOM 1052 CG1 VAL A 68 -7.878 14.528 -1.055 1.00 0.00 C ATOM 1053 CG2 VAL A 68 -7.598 13.213 1.039 1.00 0.00 C ATOM 0 H VAL A 68 -7.329 11.031 -0.380 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.910 12.986 -2.042 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.049 14.377 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.353 15.288 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.362 15.008 -1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.638 13.850 -1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.065 14.048 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.364 12.498 0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.884 12.723 1.701 1.00 0.00 H new ATOM 1063 N ASP A 69 -4.716 11.337 0.520 1.00 0.00 N ATOM 1064 CA ASP A 69 -3.538 11.137 1.386 1.00 0.00 C ATOM 1065 C ASP A 69 -2.768 9.901 0.946 1.00 0.00 C ATOM 1066 O ASP A 69 -2.015 9.323 1.727 1.00 0.00 O ATOM 1067 CB ASP A 69 -3.925 11.121 2.874 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.515 12.452 3.349 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.030 13.527 2.921 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -5.470 12.399 4.165 1.00 0.00 O ATOM 0 H ASP A 69 -5.466 10.667 0.691 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.865 11.987 1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.649 10.325 3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.044 10.886 3.471 1.00 0.00 H new ATOM 1075 N ILE A 70 -2.900 9.502 -0.324 1.00 0.00 N ATOM 1076 CA ILE A 70 -2.276 8.256 -0.791 1.00 0.00 C ATOM 1077 C ILE A 70 -0.756 8.310 -0.650 1.00 0.00 C ATOM 1078 O ILE A 70 -0.071 7.322 -0.430 1.00 0.00 O ATOM 1079 CB ILE A 70 -2.745 7.883 -2.208 1.00 0.00 C ATOM 1080 CG1 ILE A 70 -2.498 6.396 -2.532 1.00 0.00 C ATOM 1081 CG2 ILE A 70 -2.044 8.741 -3.272 1.00 0.00 C ATOM 1082 CD1 ILE A 70 -3.356 5.378 -1.777 1.00 0.00 C ATOM 0 H ILE A 70 -3.423 10.012 -1.036 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.612 7.445 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.818 8.073 -2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.657 6.249 -3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.450 6.173 -2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.397 8.453 -4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.270 9.793 -3.098 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.967 8.587 -3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.087 4.370 -2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.184 5.480 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.409 5.558 -1.994 1.00 0.00 H new ATOM 1094 N ASN A 71 -0.235 9.520 -0.724 1.00 0.00 N ATOM 1095 CA ASN A 71 1.169 9.841 -0.686 1.00 0.00 C ATOM 1096 C ASN A 71 1.720 9.734 0.736 1.00 0.00 C ATOM 1097 O ASN A 71 2.927 9.739 0.931 1.00 0.00 O ATOM 1098 CB ASN A 71 1.291 11.266 -1.231 1.00 0.00 C ATOM 1099 CG ASN A 71 0.696 11.345 -2.629 1.00 0.00 C ATOM 1100 OD1 ASN A 71 -0.577 11.694 -2.728 1.00 0.00 O flip ATOM 1101 ND2 ASN A 71 1.319 10.993 -3.623 1.00 0.00 N flip ATOM 0 H ASN A 71 -0.820 10.350 -0.818 1.00 0.00 H new ATOM 0 HA ASN A 71 1.754 9.143 -1.285 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.776 11.962 -0.569 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.339 11.565 -1.256 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.300 10.725 -3.542 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.857 10.968 -4.532 1.00 0.00 H new ATOM 1108 N ARG A 72 0.867 9.682 1.764 1.00 0.00 N ATOM 1109 CA ARG A 72 1.319 9.685 3.155 1.00 0.00 C ATOM 1110 C ARG A 72 1.879 8.320 3.537 1.00 0.00 C ATOM 1111 O ARG A 72 2.914 8.245 4.195 1.00 0.00 O ATOM 1112 CB ARG A 72 0.189 10.138 4.097 1.00 0.00 C ATOM 1113 CG ARG A 72 0.175 11.657 4.270 1.00 0.00 C ATOM 1114 CD ARG A 72 -0.304 12.450 3.048 1.00 0.00 C ATOM 1115 NE ARG A 72 0.441 13.711 2.907 1.00 0.00 N ATOM 1116 CZ ARG A 72 1.648 13.864 2.344 1.00 0.00 C ATOM 1117 NH1 ARG A 72 2.322 12.813 1.879 1.00 0.00 N ATOM 1118 NH2 ARG A 72 2.176 15.069 2.223 1.00 0.00 N ATOM 0 H ARG A 72 -0.146 9.637 1.655 1.00 0.00 H new ATOM 0 HA ARG A 72 2.128 10.408 3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.771 9.808 3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.312 9.662 5.070 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.465 11.904 5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.182 11.987 4.525 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.178 11.848 2.148 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.369 12.662 3.143 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.005 14.552 3.274 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.920 11.878 1.949 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.240 12.943 1.453 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.665 15.886 2.558 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.095 15.183 1.794 1.00 0.00 H new ATOM 1132 N LEU A 73 1.223 7.248 3.092 1.00 0.00 N ATOM 1133 CA LEU A 73 1.782 5.905 3.249 1.00 0.00 C ATOM 1134 C LEU A 73 3.039 5.731 2.388 1.00 0.00 C ATOM 1135 O LEU A 73 3.929 4.993 2.795 1.00 0.00 O ATOM 1136 CB LEU A 73 0.766 4.775 2.986 1.00 0.00 C ATOM 1137 CG LEU A 73 0.145 4.755 1.574 1.00 0.00 C ATOM 1138 CD1 LEU A 73 0.029 3.350 0.967 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -1.249 5.380 1.588 1.00 0.00 C ATOM 0 H LEU A 73 0.316 7.281 2.626 1.00 0.00 H new ATOM 0 HA LEU A 73 2.059 5.815 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.259 3.819 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.039 4.856 3.717 1.00 0.00 H new ATOM 0 HG LEU A 73 0.831 5.333 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.416 3.418 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.021 2.904 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.600 2.729 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.669 5.356 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.893 4.817 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.181 6.413 1.928 1.00 0.00 H new ATOM 1151 N CYS A 74 3.139 6.390 1.222 1.00 0.00 N ATOM 1152 CA CYS A 74 4.320 6.327 0.360 1.00 0.00 C ATOM 1153 C CYS A 74 5.543 6.815 1.115 1.00 0.00 C ATOM 1154 O CYS A 74 6.504 6.060 1.280 1.00 0.00 O ATOM 1155 CB CYS A 74 4.108 7.127 -0.930 1.00 0.00 C ATOM 1156 SG CYS A 74 2.717 6.438 -1.870 1.00 0.00 S ATOM 0 H CYS A 74 2.396 6.983 0.853 1.00 0.00 H new ATOM 0 HA CYS A 74 4.484 5.288 0.073 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.913 8.172 -0.691 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.014 7.102 -1.536 1.00 0.00 H new ATOM 0 HG CYS A 74 1.599 6.764 -1.292 1.00 0.00 H new ATOM 1162 N GLU A 75 5.465 8.049 1.605 1.00 0.00 N ATOM 1163 CA GLU A 75 6.544 8.699 2.327 1.00 0.00 C ATOM 1164 C GLU A 75 6.860 7.981 3.652 1.00 0.00 C ATOM 1165 O GLU A 75 7.958 8.151 4.176 1.00 0.00 O ATOM 1166 CB GLU A 75 6.190 10.190 2.502 1.00 0.00 C ATOM 1167 CG GLU A 75 6.172 10.911 1.140 1.00 0.00 C ATOM 1168 CD GLU A 75 5.987 12.426 1.249 1.00 0.00 C ATOM 1169 OE1 GLU A 75 6.945 13.164 1.559 1.00 0.00 O ATOM 1170 OE2 GLU A 75 4.895 12.941 0.888 1.00 0.00 O ATOM 0 H GLU A 75 4.634 8.632 1.507 1.00 0.00 H new ATOM 0 HA GLU A 75 7.468 8.636 1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.215 10.283 2.981 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.916 10.666 3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.106 10.705 0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.368 10.498 0.531 1.00 0.00 H new ATOM 1177 N GLU A 76 5.961 7.123 4.158 1.00 0.00 N ATOM 1178 CA GLU A 76 6.260 6.198 5.246 1.00 0.00 C ATOM 1179 C GLU A 76 7.152 5.065 4.707 1.00 0.00 C ATOM 1180 O GLU A 76 8.336 4.973 5.025 1.00 0.00 O ATOM 1181 CB GLU A 76 4.952 5.652 5.872 1.00 0.00 C ATOM 1182 CG GLU A 76 5.140 5.049 7.276 1.00 0.00 C ATOM 1183 CD GLU A 76 5.063 6.090 8.395 1.00 0.00 C ATOM 1184 OE1 GLU A 76 5.730 7.142 8.269 1.00 0.00 O ATOM 1185 OE2 GLU A 76 4.363 5.839 9.399 1.00 0.00 O ATOM 0 H GLU A 76 5.002 7.056 3.817 1.00 0.00 H new ATOM 0 HA GLU A 76 6.798 6.718 6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.222 6.460 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.535 4.891 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.377 4.289 7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.106 4.546 7.322 1.00 0.00 H new ATOM 1192 N MET A 77 6.604 4.152 3.904 1.00 0.00 N ATOM 1193 CA MET A 77 7.260 2.879 3.600 1.00 0.00 C ATOM 1194 C MET A 77 8.524 3.019 2.749 1.00 0.00 C ATOM 1195 O MET A 77 9.371 2.129 2.803 1.00 0.00 O ATOM 1196 CB MET A 77 6.260 1.895 2.991 1.00 0.00 C ATOM 1197 CG MET A 77 5.669 2.409 1.682 1.00 0.00 C ATOM 1198 SD MET A 77 4.116 1.617 1.211 1.00 0.00 S ATOM 1199 CE MET A 77 3.578 2.891 0.068 1.00 0.00 C ATOM 0 H MET A 77 5.699 4.272 3.449 1.00 0.00 H new ATOM 0 HA MET A 77 7.611 2.475 4.550 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.755 0.940 2.814 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.456 1.710 3.703 1.00 0.00 H new ATOM 0 HG2 MET A 77 5.505 3.483 1.767 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.397 2.260 0.884 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.805 2.489 -0.587 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.177 3.736 0.628 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.425 3.223 -0.532 1.00 0.00 H new ATOM 1209 N LEU A 78 8.708 4.114 2.006 1.00 0.00 N ATOM 1210 CA LEU A 78 9.981 4.383 1.354 1.00 0.00 C ATOM 1211 C LEU A 78 11.039 4.621 2.422 1.00 0.00 C ATOM 1212 O LEU A 78 12.076 3.958 2.436 1.00 0.00 O ATOM 1213 CB LEU A 78 9.858 5.622 0.445 1.00 0.00 C ATOM 1214 CG LEU A 78 10.359 5.366 -0.976 1.00 0.00 C ATOM 1215 CD1 LEU A 78 10.034 6.598 -1.821 1.00 0.00 C ATOM 1216 CD2 LEU A 78 11.849 5.028 -1.022 1.00 0.00 C ATOM 0 H LEU A 78 7.992 4.822 1.845 1.00 0.00 H new ATOM 0 HA LEU A 78 10.266 3.530 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.815 5.937 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.423 6.445 0.882 1.00 0.00 H new ATOM 0 HG LEU A 78 9.853 4.489 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.382 6.441 -2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.956 6.762 -1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.532 7.471 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.151 4.856 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.423 5.858 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 78 12.037 4.129 -0.434 1.00 0.00 H new ATOM 1228 N ASP A 79 10.737 5.524 3.356 1.00 0.00 N ATOM 1229 CA ASP A 79 11.617 5.892 4.454 1.00 0.00 C ATOM 1230 C ASP A 79 12.034 4.658 5.242 1.00 0.00 C ATOM 1231 O ASP A 79 13.206 4.495 5.569 1.00 0.00 O ATOM 1232 CB ASP A 79 10.924 6.905 5.367 1.00 0.00 C ATOM 1233 CG ASP A 79 11.893 7.365 6.446 1.00 0.00 C ATOM 1234 OD1 ASP A 79 12.776 8.190 6.118 1.00 0.00 O ATOM 1235 OD2 ASP A 79 11.855 6.860 7.587 1.00 0.00 O ATOM 0 H ASP A 79 9.851 6.029 3.366 1.00 0.00 H new ATOM 0 HA ASP A 79 12.515 6.352 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.580 7.760 4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.042 6.455 5.823 1.00 0.00 H new ATOM 1240 N ASN A 80 11.095 3.733 5.448 1.00 0.00 N ATOM 1241 CA ASN A 80 11.289 2.534 6.263 1.00 0.00 C ATOM 1242 C ASN A 80 12.303 1.567 5.656 1.00 0.00 C ATOM 1243 O ASN A 80 12.805 0.713 6.392 1.00 0.00 O ATOM 1244 CB ASN A 80 9.974 1.769 6.462 1.00 0.00 C ATOM 1245 CG ASN A 80 9.075 2.341 7.535 1.00 0.00 C ATOM 1246 OD1 ASN A 80 8.759 1.699 8.533 1.00 0.00 O ATOM 1247 ND2 ASN A 80 8.599 3.545 7.329 1.00 0.00 N ATOM 0 H ASN A 80 10.160 3.798 5.045 1.00 0.00 H new ATOM 0 HA ASN A 80 11.667 2.896 7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.429 1.755 5.518 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.204 0.733 6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.956 3.962 8.003 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.871 4.065 6.495 1.00 0.00 H new ATOM 1254 N ARG A 81 12.625 1.670 4.360 1.00 0.00 N ATOM 1255 CA ARG A 81 13.678 0.857 3.754 1.00 0.00 C ATOM 1256 C ARG A 81 14.919 1.690 3.437 1.00 0.00 C ATOM 1257 O ARG A 81 16.030 1.157 3.466 1.00 0.00 O ATOM 1258 CB ARG A 81 13.139 0.057 2.575 1.00 0.00 C ATOM 1259 CG ARG A 81 12.979 0.806 1.256 1.00 0.00 C ATOM 1260 CD ARG A 81 14.031 0.400 0.217 1.00 0.00 C ATOM 1261 NE ARG A 81 14.004 -1.047 -0.089 1.00 0.00 N ATOM 1262 CZ ARG A 81 15.021 -1.810 -0.523 1.00 0.00 C ATOM 1263 NH1 ARG A 81 16.209 -1.297 -0.820 1.00 0.00 N ATOM 1264 NH2 ARG A 81 14.846 -3.116 -0.656 1.00 0.00 N ATOM 0 H ARG A 81 12.167 2.312 3.712 1.00 0.00 H new ATOM 0 HA ARG A 81 14.014 0.118 4.481 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.803 -0.791 2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.167 -0.350 2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.984 0.617 0.853 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.050 1.878 1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.866 0.964 -0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.021 0.671 0.584 1.00 0.00 H new ATOM 0 HE ARG A 81 13.110 -1.520 0.045 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.371 -0.295 -0.721 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.960 -1.905 -1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.944 -3.535 -0.430 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.613 -3.702 -0.985 1.00 0.00 H new ATOM 1278 N ALA A 82 14.749 2.989 3.176 1.00 0.00 N ATOM 1279 CA ALA A 82 15.834 3.938 2.967 1.00 0.00 C ATOM 1280 C ALA A 82 16.607 4.218 4.262 1.00 0.00 C ATOM 1281 O ALA A 82 17.781 4.556 4.228 1.00 0.00 O ATOM 1282 CB ALA A 82 15.242 5.226 2.399 1.00 0.00 C ATOM 0 H ALA A 82 13.826 3.416 3.103 1.00 0.00 H new ATOM 0 HA ALA A 82 16.551 3.511 2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.039 5.951 2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.746 5.012 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.518 5.636 3.104 1.00 0.00 H new ATOM 1288 N THR A 83 15.986 4.008 5.418 1.00 0.00 N ATOM 1289 CA THR A 83 16.584 4.215 6.734 1.00 0.00 C ATOM 1290 C THR A 83 17.734 3.213 6.947 1.00 0.00 C ATOM 1291 O THR A 83 18.667 3.469 7.710 1.00 0.00 O ATOM 1292 CB THR A 83 15.445 4.185 7.775 1.00 0.00 C ATOM 1293 OG1 THR A 83 15.782 4.671 9.054 1.00 0.00 O ATOM 1294 CG2 THR A 83 14.825 2.799 7.896 1.00 0.00 C ATOM 0 H THR A 83 15.022 3.679 5.467 1.00 0.00 H new ATOM 0 HA THR A 83 17.064 5.188 6.840 1.00 0.00 H new ATOM 0 HB THR A 83 14.713 4.886 7.374 1.00 0.00 H new ATOM 0 HG1 THR A 83 15.000 4.614 9.642 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.028 2.821 8.639 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.415 2.498 6.932 1.00 0.00 H new ATOM 0 HG23 THR A 83 15.588 2.085 8.204 1.00 0.00 H new