USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 461 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 36 HIS : no HD1:sc= -0.12 X(o=-0.63,f=-0.56) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc= -0.509 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -57:sc= 0.658 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.039 X(o=-0.039,f=-0.51) USER MOD Single : A 44 MET CE :methyl -174:sc= 0 (180deg=-0.0243) USER MOD Single : A 48 ASN : amide:sc= -0.629 K(o=-0.63,f=-11!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 54 GLN : amide:sc= -0.0164 K(o=-0.016,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -6.527 9.605 -0.913 1.00 0.00 N ATOM 67 CA ARG A 8 -5.087 9.670 -1.133 1.00 0.00 C ATOM 68 C ARG A 8 -4.611 8.488 -1.973 1.00 0.00 C ATOM 69 O ARG A 8 -5.172 7.395 -1.898 1.00 0.00 O ATOM 70 CB ARG A 8 -4.345 9.690 0.205 1.00 0.00 C ATOM 71 CG ARG A 8 -2.852 9.941 0.069 1.00 0.00 C ATOM 72 CD ARG A 8 -2.071 9.266 1.186 1.00 0.00 C ATOM 73 NE ARG A 8 -2.575 9.632 2.506 1.00 0.00 N ATOM 74 CZ ARG A 8 -2.393 10.827 3.057 1.00 0.00 C ATOM 75 NH1 ARG A 8 -1.722 11.766 2.404 1.00 0.00 N ATOM 76 NH2 ARG A 8 -2.882 11.085 4.263 1.00 0.00 N ATOM 0 HA ARG A 8 -4.869 10.590 -1.675 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.779 10.463 0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.500 8.737 0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.506 9.569 -0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.659 11.014 0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.126 8.184 1.064 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.019 9.542 1.111 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.096 8.932 3.034 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.344 11.571 1.477 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.584 12.683 2.829 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.399 10.365 4.769 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.741 12.003 4.685 1.00 0.00 H new ATOM 90 N ARG A 9 -3.575 8.717 -2.773 1.00 0.00 N ATOM 91 CA ARG A 9 -3.025 7.672 -3.628 1.00 0.00 C ATOM 92 C ARG A 9 -1.577 7.369 -3.253 1.00 0.00 C ATOM 93 O ARG A 9 -0.775 8.279 -3.044 1.00 0.00 O ATOM 94 CB ARG A 9 -3.106 8.091 -5.097 1.00 0.00 C ATOM 95 CG ARG A 9 -2.385 7.142 -6.041 1.00 0.00 C ATOM 96 CD ARG A 9 -3.035 7.124 -7.416 1.00 0.00 C ATOM 97 NE ARG A 9 -2.808 8.370 -8.145 1.00 0.00 N ATOM 98 CZ ARG A 9 -3.353 8.640 -9.325 1.00 0.00 C ATOM 99 NH1 ARG A 9 -4.153 7.758 -9.908 1.00 0.00 N ATOM 100 NH2 ARG A 9 -3.099 9.796 -9.926 1.00 0.00 N ATOM 0 H ARG A 9 -3.100 9.616 -2.847 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.617 6.768 -3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.154 8.156 -5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.682 9.089 -5.205 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.342 7.443 -6.134 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.390 6.136 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.639 6.289 -7.993 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.107 6.957 -7.308 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.198 9.070 -7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.352 6.869 -9.450 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.570 7.969 -10.815 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.485 10.478 -9.481 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.518 10.002 -10.833 1.00 0.00 H new ATOM 114 N VAL A 10 -1.249 6.083 -3.170 1.00 0.00 N ATOM 115 CA VAL A 10 0.102 5.659 -2.822 1.00 0.00 C ATOM 116 C VAL A 10 0.560 4.504 -3.704 1.00 0.00 C ATOM 117 O VAL A 10 -0.256 3.817 -4.319 1.00 0.00 O ATOM 118 CB VAL A 10 0.192 5.230 -1.345 1.00 0.00 C ATOM 119 CG1 VAL A 10 -0.257 6.361 -0.432 1.00 0.00 C ATOM 120 CG2 VAL A 10 -0.637 3.978 -1.103 1.00 0.00 C ATOM 0 H VAL A 10 -1.901 5.317 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 10 0.755 6.517 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 10 1.232 5.000 -1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.187 6.040 0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.383 7.230 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.289 6.625 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.562 3.689 -0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.679 4.178 -1.351 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.264 3.168 -1.730 1.00 0.00 H new ATOM 130 N ARG A 11 1.871 4.294 -3.761 1.00 0.00 N ATOM 131 CA ARG A 11 2.439 3.222 -4.569 1.00 0.00 C ATOM 132 C ARG A 11 3.453 2.414 -3.765 1.00 0.00 C ATOM 133 O ARG A 11 4.352 2.974 -3.138 1.00 0.00 O ATOM 134 CB ARG A 11 3.106 3.796 -5.821 1.00 0.00 C ATOM 135 CG ARG A 11 4.154 2.877 -6.428 1.00 0.00 C ATOM 136 CD ARG A 11 5.533 3.142 -5.844 1.00 0.00 C ATOM 137 NE ARG A 11 6.600 2.754 -6.763 1.00 0.00 N ATOM 138 CZ ARG A 11 7.831 3.250 -6.711 1.00 0.00 C ATOM 139 NH1 ARG A 11 8.148 4.149 -5.789 1.00 0.00 N ATOM 140 NH2 ARG A 11 8.747 2.848 -7.582 1.00 0.00 N ATOM 0 H ARG A 11 2.560 4.852 -3.257 1.00 0.00 H new ATOM 0 HA ARG A 11 1.628 2.559 -4.869 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.340 4.003 -6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.572 4.749 -5.570 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.876 1.838 -6.250 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.182 3.019 -7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.628 4.201 -5.605 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.642 2.593 -4.909 1.00 0.00 H new ATOM 0 HE ARG A 11 6.388 2.064 -7.484 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.446 4.461 -5.118 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.094 4.529 -5.751 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.506 2.157 -8.293 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.692 3.230 -7.541 1.00 0.00 H new ATOM 154 N ALA A 12 3.301 1.094 -3.787 1.00 0.00 N ATOM 155 CA ALA A 12 4.204 0.208 -3.062 1.00 0.00 C ATOM 156 C ALA A 12 5.601 0.230 -3.671 1.00 0.00 C ATOM 157 O ALA A 12 5.884 -0.498 -4.624 1.00 0.00 O ATOM 158 CB ALA A 12 3.654 -1.210 -3.048 1.00 0.00 C ATOM 0 H ALA A 12 2.561 0.614 -4.299 1.00 0.00 H new ATOM 0 HA ALA A 12 4.278 0.567 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.338 -1.860 -2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.680 -1.218 -2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.549 -1.570 -4.072 1.00 0.00 H new ATOM 164 N ILE A 13 6.470 1.068 -3.117 1.00 0.00 N ATOM 165 CA ILE A 13 7.838 1.184 -3.607 1.00 0.00 C ATOM 166 C ILE A 13 8.540 -0.171 -3.602 1.00 0.00 C ATOM 167 O ILE A 13 9.520 -0.377 -4.319 1.00 0.00 O ATOM 168 CB ILE A 13 8.657 2.176 -2.761 1.00 0.00 C ATOM 169 CG1 ILE A 13 8.810 1.656 -1.330 1.00 0.00 C ATOM 170 CG2 ILE A 13 7.996 3.546 -2.764 1.00 0.00 C ATOM 171 CD1 ILE A 13 10.069 2.137 -0.643 1.00 0.00 C ATOM 0 H ILE A 13 6.251 1.677 -2.328 1.00 0.00 H new ATOM 0 HA ILE A 13 7.776 1.556 -4.630 1.00 0.00 H new ATOM 0 HB ILE A 13 9.650 2.272 -3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.945 1.967 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.808 0.566 -1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.587 4.236 -2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.934 3.918 -3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.993 3.467 -2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.111 1.729 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.941 1.803 -1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.064 3.226 -0.595 1.00 0.00 H new ATOM 183 N LEU A 14 8.031 -1.091 -2.790 1.00 0.00 N ATOM 184 CA LEU A 14 8.608 -2.428 -2.693 1.00 0.00 C ATOM 185 C LEU A 14 7.516 -3.481 -2.535 1.00 0.00 C ATOM 186 O LEU A 14 6.438 -3.218 -2.001 1.00 0.00 O ATOM 187 CB LEU A 14 9.578 -2.501 -1.513 1.00 0.00 C ATOM 188 CG LEU A 14 10.758 -1.529 -1.552 1.00 0.00 C ATOM 189 CD1 LEU A 14 11.239 -1.216 -0.144 1.00 0.00 C ATOM 190 CD2 LEU A 14 11.892 -2.101 -2.390 1.00 0.00 C ATOM 0 H LEU A 14 7.221 -0.936 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 14 9.152 -2.631 -3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.017 -2.323 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.971 -3.516 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 14 10.424 -0.600 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.079 -0.523 -0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.427 -0.763 0.426 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.556 -2.137 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.723 -1.396 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.225 -3.044 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.541 -2.273 -3.408 1.00 0.00 H new ATOM 202 N PRO A 15 7.800 -4.704 -3.007 1.00 0.00 N ATOM 203 CA PRO A 15 6.856 -5.823 -2.927 1.00 0.00 C ATOM 204 C PRO A 15 6.659 -6.314 -1.497 1.00 0.00 C ATOM 205 O PRO A 15 7.559 -6.205 -0.663 1.00 0.00 O ATOM 206 CB PRO A 15 7.520 -6.908 -3.778 1.00 0.00 C ATOM 207 CG PRO A 15 8.974 -6.587 -3.735 1.00 0.00 C ATOM 208 CD PRO A 15 9.065 -5.089 -3.655 1.00 0.00 C ATOM 0 HA PRO A 15 5.860 -5.542 -3.271 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.322 -7.902 -3.377 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.142 -6.896 -4.800 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.451 -7.054 -2.873 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.483 -6.962 -4.623 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.929 -4.770 -3.072 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.164 -4.639 -4.643 1.00 0.00 H new ATOM 216 N TYR A 16 5.478 -6.854 -1.219 1.00 0.00 N ATOM 217 CA TYR A 16 5.163 -7.360 0.111 1.00 0.00 C ATOM 218 C TYR A 16 4.160 -8.508 0.034 1.00 0.00 C ATOM 219 O TYR A 16 3.489 -8.695 -0.981 1.00 0.00 O ATOM 220 CB TYR A 16 4.604 -6.238 0.987 1.00 0.00 C ATOM 221 CG TYR A 16 4.329 -6.662 2.413 1.00 0.00 C ATOM 222 CD1 TYR A 16 5.350 -6.701 3.355 1.00 0.00 C ATOM 223 CD2 TYR A 16 3.051 -7.025 2.816 1.00 0.00 C ATOM 224 CE1 TYR A 16 5.104 -7.089 4.658 1.00 0.00 C ATOM 225 CE2 TYR A 16 2.795 -7.412 4.118 1.00 0.00 C ATOM 226 CZ TYR A 16 3.825 -7.443 5.035 1.00 0.00 C ATOM 227 OH TYR A 16 3.575 -7.829 6.331 1.00 0.00 O ATOM 0 H TYR A 16 4.723 -6.953 -1.897 1.00 0.00 H new ATOM 0 HA TYR A 16 6.084 -7.735 0.557 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.310 -5.408 0.994 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.680 -5.867 0.543 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.352 -6.423 3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.243 -7.005 2.100 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.909 -7.115 5.378 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.794 -7.689 4.416 1.00 0.00 H new ATOM 0 HH TYR A 16 2.624 -8.044 6.431 1.00 0.00 H new ATOM 237 N THR A 17 4.064 -9.275 1.116 1.00 0.00 N ATOM 238 CA THR A 17 3.145 -10.404 1.173 1.00 0.00 C ATOM 239 C THR A 17 2.170 -10.262 2.336 1.00 0.00 C ATOM 240 O THR A 17 2.567 -9.945 3.457 1.00 0.00 O ATOM 241 CB THR A 17 3.902 -11.738 1.312 1.00 0.00 C ATOM 242 OG1 THR A 17 4.908 -11.839 0.298 1.00 0.00 O ATOM 243 CG2 THR A 17 2.946 -12.917 1.204 1.00 0.00 C ATOM 0 H THR A 17 4.612 -9.134 1.965 1.00 0.00 H new ATOM 0 HA THR A 17 2.589 -10.406 0.235 1.00 0.00 H new ATOM 0 HB THR A 17 4.373 -11.762 2.294 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.386 -12.689 0.395 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.504 -13.848 1.305 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.199 -12.854 1.995 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.449 -12.895 0.234 1.00 0.00 H new ATOM 251 N LYS A 18 0.892 -10.500 2.063 1.00 0.00 N ATOM 252 CA LYS A 18 -0.141 -10.400 3.088 1.00 0.00 C ATOM 253 C LYS A 18 0.089 -11.426 4.193 1.00 0.00 C ATOM 254 O LYS A 18 0.794 -12.416 3.998 1.00 0.00 O ATOM 255 CB LYS A 18 -1.525 -10.605 2.467 1.00 0.00 C ATOM 256 CG LYS A 18 -1.962 -12.059 2.421 1.00 0.00 C ATOM 257 CD LYS A 18 -3.358 -12.203 1.838 1.00 0.00 C ATOM 258 CE LYS A 18 -4.081 -13.410 2.416 1.00 0.00 C ATOM 259 NZ LYS A 18 -3.460 -14.691 1.979 1.00 0.00 N ATOM 0 H LYS A 18 0.546 -10.764 1.140 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.090 -9.403 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.258 -10.032 3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.523 -10.203 1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.255 -12.634 1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.942 -12.478 3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.934 -11.300 2.042 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.293 -12.301 0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.069 -13.353 3.504 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.126 -13.389 2.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.982 -15.489 2.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.494 -14.757 0.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.470 -14.723 2.296 1.00 0.00 H new ATOM 273 N VAL A 19 -0.512 -11.183 5.354 1.00 0.00 N ATOM 274 CA VAL A 19 -0.375 -12.087 6.490 1.00 0.00 C ATOM 275 C VAL A 19 -1.492 -13.124 6.504 1.00 0.00 C ATOM 276 O VAL A 19 -2.655 -12.824 6.237 1.00 0.00 O ATOM 277 CB VAL A 19 -0.386 -11.318 7.824 1.00 0.00 C ATOM 278 CG1 VAL A 19 -0.330 -12.283 8.998 1.00 0.00 C ATOM 279 CG2 VAL A 19 0.771 -10.331 7.879 1.00 0.00 C ATOM 0 H VAL A 19 -1.098 -10.368 5.532 1.00 0.00 H new ATOM 0 HA VAL A 19 0.585 -12.592 6.379 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.317 -10.756 7.891 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.339 -11.721 9.932 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.195 -12.946 8.966 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.583 -12.875 8.939 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.748 -9.796 8.828 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.714 -10.870 7.789 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.681 -9.619 7.059 1.00 0.00 H new ATOM 289 N PRO A 20 -1.133 -14.376 6.825 1.00 0.00 N ATOM 290 CA PRO A 20 -2.090 -15.485 6.883 1.00 0.00 C ATOM 291 C PRO A 20 -3.054 -15.356 8.058 1.00 0.00 C ATOM 292 O PRO A 20 -2.646 -15.047 9.177 1.00 0.00 O ATOM 293 CB PRO A 20 -1.198 -16.716 7.056 1.00 0.00 C ATOM 294 CG PRO A 20 0.045 -16.197 7.694 1.00 0.00 C ATOM 295 CD PRO A 20 0.237 -14.806 7.155 1.00 0.00 C ATOM 0 HA PRO A 20 -2.724 -15.523 5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.679 -17.469 7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.984 -17.187 6.097 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.049 -16.185 8.780 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.900 -16.830 7.455 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.698 -14.149 7.893 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.882 -14.801 6.277 1.00 0.00 H new ATOM 303 N ASP A 21 -4.334 -15.595 7.796 1.00 0.00 N ATOM 304 CA ASP A 21 -5.357 -15.508 8.832 1.00 0.00 C ATOM 305 C ASP A 21 -5.625 -14.054 9.209 1.00 0.00 C ATOM 306 O ASP A 21 -5.699 -13.711 10.390 1.00 0.00 O ATOM 307 CB ASP A 21 -4.928 -16.298 10.069 1.00 0.00 C ATOM 308 CG ASP A 21 -4.118 -17.531 9.717 1.00 0.00 C ATOM 309 OD1 ASP A 21 -4.617 -18.363 8.931 1.00 0.00 O ATOM 310 OD2 ASP A 21 -2.986 -17.663 10.228 1.00 0.00 O ATOM 0 H ASP A 21 -4.688 -15.851 6.874 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.278 -15.938 8.437 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.339 -15.654 10.721 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.813 -16.597 10.631 1.00 0.00 H new ATOM 315 N THR A 22 -5.769 -13.202 8.199 1.00 0.00 N ATOM 316 CA THR A 22 -6.026 -11.786 8.424 1.00 0.00 C ATOM 317 C THR A 22 -6.675 -11.144 7.203 1.00 0.00 C ATOM 318 O THR A 22 -6.801 -11.773 6.152 1.00 0.00 O ATOM 319 CB THR A 22 -4.729 -11.026 8.761 1.00 0.00 C ATOM 320 OG1 THR A 22 -3.766 -11.213 7.718 1.00 0.00 O ATOM 321 CG2 THR A 22 -4.150 -11.503 10.084 1.00 0.00 C ATOM 0 H THR A 22 -5.712 -13.469 7.216 1.00 0.00 H new ATOM 0 HA THR A 22 -6.708 -11.720 9.272 1.00 0.00 H new ATOM 0 HB THR A 22 -4.968 -9.966 8.848 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.602 -12.171 7.592 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.235 -10.952 10.300 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.874 -11.332 10.881 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.926 -12.568 10.020 1.00 0.00 H new ATOM 329 N ASP A 23 -7.085 -9.889 7.348 1.00 0.00 N ATOM 330 CA ASP A 23 -7.720 -9.161 6.255 1.00 0.00 C ATOM 331 C ASP A 23 -6.684 -8.396 5.438 1.00 0.00 C ATOM 332 O ASP A 23 -7.012 -7.428 4.753 1.00 0.00 O ATOM 333 CB ASP A 23 -8.772 -8.194 6.802 1.00 0.00 C ATOM 334 CG ASP A 23 -10.118 -8.859 7.008 1.00 0.00 C ATOM 335 OD1 ASP A 23 -10.531 -9.648 6.132 1.00 0.00 O ATOM 336 OD2 ASP A 23 -10.759 -8.592 8.045 1.00 0.00 O ATOM 0 H ASP A 23 -6.989 -9.354 8.211 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.208 -9.886 5.603 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.425 -7.782 7.750 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.885 -7.357 6.113 1.00 0.00 H new ATOM 341 N GLU A 24 -5.432 -8.837 5.516 1.00 0.00 N ATOM 342 CA GLU A 24 -4.349 -8.192 4.784 1.00 0.00 C ATOM 343 C GLU A 24 -4.352 -8.619 3.319 1.00 0.00 C ATOM 344 O GLU A 24 -5.030 -9.575 2.941 1.00 0.00 O ATOM 345 CB GLU A 24 -3.000 -8.531 5.422 1.00 0.00 C ATOM 346 CG GLU A 24 -2.848 -8.004 6.839 1.00 0.00 C ATOM 347 CD GLU A 24 -1.407 -7.690 7.193 1.00 0.00 C ATOM 348 OE1 GLU A 24 -0.547 -7.759 6.290 1.00 0.00 O ATOM 349 OE2 GLU A 24 -1.140 -7.375 8.371 1.00 0.00 O ATOM 0 H GLU A 24 -5.143 -9.638 6.078 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.505 -7.114 4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.873 -9.614 5.430 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.202 -8.121 4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.451 -7.103 6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.238 -8.741 7.541 1.00 0.00 H new ATOM 356 N ILE A 25 -3.590 -7.903 2.498 1.00 0.00 N ATOM 357 CA ILE A 25 -3.505 -8.208 1.075 1.00 0.00 C ATOM 358 C ILE A 25 -2.073 -8.070 0.569 1.00 0.00 C ATOM 359 O ILE A 25 -1.241 -7.416 1.198 1.00 0.00 O ATOM 360 CB ILE A 25 -4.421 -7.289 0.247 1.00 0.00 C ATOM 361 CG1 ILE A 25 -4.166 -5.822 0.603 1.00 0.00 C ATOM 362 CG2 ILE A 25 -5.881 -7.649 0.478 1.00 0.00 C ATOM 363 CD1 ILE A 25 -4.418 -4.869 -0.544 1.00 0.00 C ATOM 0 H ILE A 25 -3.023 -7.108 2.794 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.834 -9.240 0.953 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.194 -7.432 -0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.804 -5.544 1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.134 -5.712 0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.516 -6.990 -0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.052 -8.683 0.180 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.122 -7.532 1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.217 -3.848 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.762 -5.121 -1.377 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.457 -4.951 -0.863 1.00 0.00 H new ATOM 375 N SER A 26 -1.793 -8.690 -0.573 1.00 0.00 N ATOM 376 CA SER A 26 -0.461 -8.638 -1.164 1.00 0.00 C ATOM 377 C SER A 26 -0.432 -7.685 -2.356 1.00 0.00 C ATOM 378 O SER A 26 -1.420 -7.545 -3.077 1.00 0.00 O ATOM 379 CB SER A 26 -0.020 -10.036 -1.603 1.00 0.00 C ATOM 380 OG SER A 26 -0.917 -10.577 -2.557 1.00 0.00 O ATOM 0 H SER A 26 -2.471 -9.234 -1.107 1.00 0.00 H new ATOM 0 HA SER A 26 0.231 -8.267 -0.408 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.983 -9.988 -2.028 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.033 -10.693 -0.735 1.00 0.00 H new ATOM 0 HG SER A 26 -0.612 -11.470 -2.823 1.00 0.00 H new ATOM 386 N PHE A 27 0.709 -7.033 -2.556 1.00 0.00 N ATOM 387 CA PHE A 27 0.868 -6.093 -3.659 1.00 0.00 C ATOM 388 C PHE A 27 2.237 -6.250 -4.315 1.00 0.00 C ATOM 389 O PHE A 27 3.129 -6.900 -3.768 1.00 0.00 O ATOM 390 CB PHE A 27 0.690 -4.656 -3.162 1.00 0.00 C ATOM 391 CG PHE A 27 1.228 -4.430 -1.778 1.00 0.00 C ATOM 392 CD1 PHE A 27 0.479 -4.774 -0.665 1.00 0.00 C ATOM 393 CD2 PHE A 27 2.483 -3.873 -1.591 1.00 0.00 C ATOM 394 CE1 PHE A 27 0.971 -4.566 0.610 1.00 0.00 C ATOM 395 CE2 PHE A 27 2.980 -3.663 -0.319 1.00 0.00 C ATOM 396 CZ PHE A 27 2.224 -4.011 0.783 1.00 0.00 C ATOM 0 H PHE A 27 1.536 -7.138 -1.969 1.00 0.00 H new ATOM 0 HA PHE A 27 0.101 -6.311 -4.402 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.189 -3.977 -3.853 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.370 -4.403 -3.177 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.501 -5.210 -0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.079 -3.600 -2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.376 -4.837 1.470 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.959 -3.227 -0.187 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.612 -3.850 1.778 1.00 0.00 H new ATOM 406 N LEU A 28 2.395 -5.651 -5.490 1.00 0.00 N ATOM 407 CA LEU A 28 3.655 -5.724 -6.222 1.00 0.00 C ATOM 408 C LEU A 28 4.360 -4.372 -6.228 1.00 0.00 C ATOM 409 O LEU A 28 3.781 -3.355 -5.845 1.00 0.00 O ATOM 410 CB LEU A 28 3.406 -6.190 -7.658 1.00 0.00 C ATOM 411 CG LEU A 28 4.613 -6.776 -8.392 1.00 0.00 C ATOM 412 CD1 LEU A 28 5.267 -7.867 -7.557 1.00 0.00 C ATOM 413 CD2 LEU A 28 4.198 -7.319 -9.751 1.00 0.00 C ATOM 0 H LEU A 28 1.667 -5.110 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 28 4.299 -6.446 -5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.615 -6.940 -7.643 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.032 -5.344 -8.234 1.00 0.00 H new ATOM 0 HG LEU A 28 5.341 -5.980 -8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.124 -8.272 -8.095 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.600 -7.448 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.546 -8.663 -7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.069 -7.732 -10.259 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.451 -8.101 -9.618 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.776 -6.513 -10.351 1.00 0.00 H new ATOM 425 N LYS A 29 5.614 -4.367 -6.668 1.00 0.00 N ATOM 426 CA LYS A 29 6.399 -3.139 -6.729 1.00 0.00 C ATOM 427 C LYS A 29 5.786 -2.150 -7.714 1.00 0.00 C ATOM 428 O LYS A 29 5.850 -2.346 -8.927 1.00 0.00 O ATOM 429 CB LYS A 29 7.842 -3.452 -7.134 1.00 0.00 C ATOM 430 CG LYS A 29 8.695 -2.214 -7.348 1.00 0.00 C ATOM 431 CD LYS A 29 10.118 -2.578 -7.738 1.00 0.00 C ATOM 432 CE LYS A 29 11.099 -1.483 -7.349 1.00 0.00 C ATOM 433 NZ LYS A 29 11.228 -0.450 -8.413 1.00 0.00 N ATOM 0 H LYS A 29 6.109 -5.200 -6.988 1.00 0.00 H new ATOM 0 HA LYS A 29 6.396 -2.685 -5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.301 -4.071 -6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.834 -4.040 -8.051 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.250 -1.595 -8.127 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.708 -1.618 -6.436 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.402 -3.512 -7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.169 -2.749 -8.813 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.769 -1.012 -6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.076 -1.924 -7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.905 0.278 -8.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.568 -0.895 -9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.301 -0.011 -8.584 1.00 0.00 H new ATOM 447 N GLY A 30 5.194 -1.084 -7.185 1.00 0.00 N ATOM 448 CA GLY A 30 4.580 -0.079 -8.032 1.00 0.00 C ATOM 449 C GLY A 30 3.065 -0.114 -7.970 1.00 0.00 C ATOM 450 O GLY A 30 2.400 0.856 -8.331 1.00 0.00 O ATOM 0 H GLY A 30 5.129 -0.898 -6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.930 0.908 -7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.902 -0.231 -9.062 1.00 0.00 H new ATOM 454 N ASP A 31 2.520 -1.236 -7.513 1.00 0.00 N ATOM 455 CA ASP A 31 1.074 -1.395 -7.405 1.00 0.00 C ATOM 456 C ASP A 31 0.444 -0.184 -6.724 1.00 0.00 C ATOM 457 O ASP A 31 0.759 0.128 -5.576 1.00 0.00 O ATOM 458 CB ASP A 31 0.736 -2.667 -6.627 1.00 0.00 C ATOM 459 CG ASP A 31 0.720 -3.899 -7.510 1.00 0.00 C ATOM 460 OD1 ASP A 31 1.157 -3.799 -8.676 1.00 0.00 O ATOM 461 OD2 ASP A 31 0.271 -4.963 -7.036 1.00 0.00 O ATOM 0 H ASP A 31 3.057 -2.049 -7.211 1.00 0.00 H new ATOM 0 HA ASP A 31 0.666 -1.476 -8.412 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.465 -2.805 -5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.238 -2.551 -6.153 1.00 0.00 H new ATOM 466 N MET A 32 -0.447 0.495 -7.440 1.00 0.00 N ATOM 467 CA MET A 32 -1.121 1.671 -6.904 1.00 0.00 C ATOM 468 C MET A 32 -2.280 1.268 -5.998 1.00 0.00 C ATOM 469 O MET A 32 -2.676 0.103 -5.961 1.00 0.00 O ATOM 470 CB MET A 32 -1.633 2.555 -8.043 1.00 0.00 C ATOM 471 CG MET A 32 -0.550 3.405 -8.687 1.00 0.00 C ATOM 472 SD MET A 32 -0.956 3.884 -10.377 1.00 0.00 S ATOM 473 CE MET A 32 -0.127 5.468 -10.489 1.00 0.00 C ATOM 0 H MET A 32 -0.718 0.251 -8.392 1.00 0.00 H new ATOM 0 HA MET A 32 -0.399 2.234 -6.312 1.00 0.00 H new ATOM 0 HB2 MET A 32 -2.089 1.923 -8.805 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.417 3.209 -7.660 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.393 4.301 -8.087 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.389 2.852 -8.686 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.286 5.893 -11.480 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.531 6.144 -9.736 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.941 5.332 -10.319 1.00 0.00 H new ATOM 483 N PHE A 33 -2.818 2.238 -5.267 1.00 0.00 N ATOM 484 CA PHE A 33 -3.931 1.983 -4.359 1.00 0.00 C ATOM 485 C PHE A 33 -4.840 3.204 -4.256 1.00 0.00 C ATOM 486 O PHE A 33 -4.540 4.263 -4.809 1.00 0.00 O ATOM 487 CB PHE A 33 -3.408 1.605 -2.971 1.00 0.00 C ATOM 488 CG PHE A 33 -2.369 0.521 -2.998 1.00 0.00 C ATOM 489 CD1 PHE A 33 -1.027 0.833 -3.144 1.00 0.00 C ATOM 490 CD2 PHE A 33 -2.734 -0.810 -2.875 1.00 0.00 C ATOM 491 CE1 PHE A 33 -0.069 -0.163 -3.169 1.00 0.00 C ATOM 492 CE2 PHE A 33 -1.780 -1.810 -2.899 1.00 0.00 C ATOM 493 CZ PHE A 33 -0.446 -1.486 -3.045 1.00 0.00 C ATOM 0 H PHE A 33 -2.502 3.208 -5.285 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.511 1.152 -4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.985 2.491 -2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.244 1.280 -2.352 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.726 1.866 -3.239 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.776 -1.069 -2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.974 0.093 -3.285 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.078 -2.844 -2.804 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.301 -2.265 -3.062 1.00 0.00 H new ATOM 503 N ILE A 34 -5.952 3.049 -3.547 1.00 0.00 N ATOM 504 CA ILE A 34 -6.905 4.138 -3.371 1.00 0.00 C ATOM 505 C ILE A 34 -7.256 4.330 -1.900 1.00 0.00 C ATOM 506 O ILE A 34 -8.327 3.926 -1.448 1.00 0.00 O ATOM 507 CB ILE A 34 -8.199 3.887 -4.167 1.00 0.00 C ATOM 508 CG1 ILE A 34 -7.896 3.813 -5.665 1.00 0.00 C ATOM 509 CG2 ILE A 34 -9.217 4.981 -3.881 1.00 0.00 C ATOM 510 CD1 ILE A 34 -9.028 3.230 -6.482 1.00 0.00 C ATOM 0 H ILE A 34 -6.216 2.179 -3.084 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.425 5.041 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.622 2.933 -3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.672 4.815 -6.032 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.001 3.210 -5.817 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.126 4.790 -4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.451 4.991 -2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.804 5.947 -4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.744 3.208 -7.534 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.238 2.216 -6.142 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.919 3.845 -6.360 1.00 0.00 H new ATOM 522 N VAL A 35 -6.346 4.951 -1.156 1.00 0.00 N ATOM 523 CA VAL A 35 -6.559 5.200 0.264 1.00 0.00 C ATOM 524 C VAL A 35 -8.001 5.614 0.539 1.00 0.00 C ATOM 525 O VAL A 35 -8.462 6.651 0.061 1.00 0.00 O ATOM 526 CB VAL A 35 -5.613 6.296 0.791 1.00 0.00 C ATOM 527 CG1 VAL A 35 -5.757 6.447 2.297 1.00 0.00 C ATOM 528 CG2 VAL A 35 -4.173 5.982 0.413 1.00 0.00 C ATOM 0 H VAL A 35 -5.453 5.291 -1.514 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.346 4.266 0.784 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.888 7.244 0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.081 7.225 2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.784 6.721 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.509 5.503 2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.518 6.766 0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.883 5.025 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.085 5.930 -0.672 1.00 0.00 H new ATOM 538 N HIS A 36 -8.708 4.797 1.313 1.00 0.00 N ATOM 539 CA HIS A 36 -10.098 5.079 1.653 1.00 0.00 C ATOM 540 C HIS A 36 -10.235 5.435 3.130 1.00 0.00 C ATOM 541 O HIS A 36 -10.894 6.412 3.484 1.00 0.00 O ATOM 542 CB HIS A 36 -10.980 3.874 1.324 1.00 0.00 C ATOM 543 CG HIS A 36 -11.376 3.798 -0.119 1.00 0.00 C ATOM 544 ND1 HIS A 36 -12.148 4.758 -0.738 1.00 0.00 N ATOM 545 CD2 HIS A 36 -11.102 2.870 -1.065 1.00 0.00 C ATOM 546 CE1 HIS A 36 -12.333 4.423 -2.003 1.00 0.00 C ATOM 547 NE2 HIS A 36 -11.708 3.281 -2.226 1.00 0.00 N ATOM 0 H HIS A 36 -8.342 3.935 1.716 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.425 5.933 1.060 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.450 2.961 1.595 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -11.880 3.914 1.938 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.516 1.973 -0.931 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.899 4.987 -2.730 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -11.680 2.785 -3.117 1.00 0.00 H new ATOM 555 N ASN A 37 -9.608 4.636 3.987 1.00 0.00 N ATOM 556 CA ASN A 37 -9.661 4.867 5.426 1.00 0.00 C ATOM 557 C ASN A 37 -8.257 5.018 6.005 1.00 0.00 C ATOM 558 O ASN A 37 -7.405 4.149 5.824 1.00 0.00 O ATOM 559 CB ASN A 37 -10.391 3.716 6.122 1.00 0.00 C ATOM 560 CG ASN A 37 -11.034 4.145 7.427 1.00 0.00 C ATOM 561 OD1 ASN A 37 -11.680 5.191 7.500 1.00 0.00 O ATOM 562 ND2 ASN A 37 -10.861 3.336 8.466 1.00 0.00 N ATOM 0 H ASN A 37 -9.057 3.823 3.710 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.208 5.793 5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.157 3.319 5.456 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.687 2.907 6.316 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.271 3.572 9.370 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.318 2.479 8.360 1.00 0.00 H new ATOM 569 N GLU A 38 -8.026 6.126 6.702 1.00 0.00 N ATOM 570 CA GLU A 38 -6.726 6.390 7.307 1.00 0.00 C ATOM 571 C GLU A 38 -6.736 6.041 8.792 1.00 0.00 C ATOM 572 O GLU A 38 -7.255 6.796 9.616 1.00 0.00 O ATOM 573 CB GLU A 38 -6.340 7.859 7.120 1.00 0.00 C ATOM 574 CG GLU A 38 -6.298 8.296 5.665 1.00 0.00 C ATOM 575 CD GLU A 38 -6.537 9.784 5.497 1.00 0.00 C ATOM 576 OE1 GLU A 38 -7.680 10.232 5.726 1.00 0.00 O ATOM 577 OE2 GLU A 38 -5.580 10.501 5.136 1.00 0.00 O ATOM 0 H GLU A 38 -8.722 6.855 6.862 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.988 5.762 6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.052 8.485 7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.362 8.029 7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.329 8.037 5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.051 7.745 5.102 1.00 0.00 H new ATOM 584 N LEU A 39 -6.160 4.892 9.128 1.00 0.00 N ATOM 585 CA LEU A 39 -6.102 4.441 10.514 1.00 0.00 C ATOM 586 C LEU A 39 -5.024 5.193 11.287 1.00 0.00 C ATOM 587 O LEU A 39 -4.385 6.101 10.755 1.00 0.00 O ATOM 588 CB LEU A 39 -5.831 2.937 10.571 1.00 0.00 C ATOM 589 CG LEU A 39 -6.960 2.032 10.076 1.00 0.00 C ATOM 590 CD1 LEU A 39 -8.284 2.437 10.704 1.00 0.00 C ATOM 591 CD2 LEU A 39 -7.052 2.077 8.557 1.00 0.00 C ATOM 0 H LEU A 39 -5.726 4.255 8.459 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.067 4.648 10.978 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.939 2.726 9.982 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.603 2.668 11.602 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.737 1.008 10.377 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.075 1.782 10.340 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.213 2.352 11.788 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.514 3.468 10.435 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.861 1.427 8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.251 3.099 8.235 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.111 1.737 8.125 1.00 0.00 H new ATOM 603 N GLU A 40 -4.826 4.808 12.544 1.00 0.00 N ATOM 604 CA GLU A 40 -3.823 5.446 13.389 1.00 0.00 C ATOM 605 C GLU A 40 -2.658 4.498 13.661 1.00 0.00 C ATOM 606 O GLU A 40 -1.494 4.880 13.546 1.00 0.00 O ATOM 607 CB GLU A 40 -4.449 5.894 14.711 1.00 0.00 C ATOM 608 CG GLU A 40 -5.552 6.926 14.543 1.00 0.00 C ATOM 609 CD GLU A 40 -6.898 6.297 14.238 1.00 0.00 C ATOM 610 OE1 GLU A 40 -7.295 5.362 14.964 1.00 0.00 O ATOM 611 OE2 GLU A 40 -7.554 6.740 13.273 1.00 0.00 O ATOM 0 H GLU A 40 -5.346 4.058 12.999 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.442 6.320 12.861 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.854 5.022 15.226 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.670 6.308 15.351 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.631 7.520 15.454 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.284 7.611 13.738 1.00 0.00 H new ATOM 618 N ASP A 41 -2.982 3.261 14.022 1.00 0.00 N ATOM 619 CA ASP A 41 -1.963 2.258 14.310 1.00 0.00 C ATOM 620 C ASP A 41 -0.814 2.348 13.310 1.00 0.00 C ATOM 621 O ASP A 41 0.315 1.961 13.610 1.00 0.00 O ATOM 622 CB ASP A 41 -2.574 0.856 14.279 1.00 0.00 C ATOM 623 CG ASP A 41 -3.671 0.680 15.311 1.00 0.00 C ATOM 624 OD1 ASP A 41 -4.772 1.235 15.108 1.00 0.00 O ATOM 625 OD2 ASP A 41 -3.429 -0.013 16.321 1.00 0.00 O ATOM 0 H ASP A 41 -3.941 2.929 14.122 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.569 2.452 15.307 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.979 0.661 13.286 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.792 0.118 14.455 1.00 0.00 H new ATOM 630 N GLY A 42 -1.110 2.860 12.120 1.00 0.00 N ATOM 631 CA GLY A 42 -0.092 2.990 11.094 1.00 0.00 C ATOM 632 C GLY A 42 -0.475 2.288 9.806 1.00 0.00 C ATOM 633 O GLY A 42 0.371 2.060 8.941 1.00 0.00 O ATOM 0 H GLY A 42 -2.037 3.187 11.848 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.082 4.047 10.891 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.847 2.578 11.464 1.00 0.00 H new ATOM 637 N TRP A 43 -1.751 1.944 9.678 1.00 0.00 N ATOM 638 CA TRP A 43 -2.243 1.263 8.486 1.00 0.00 C ATOM 639 C TRP A 43 -3.264 2.122 7.750 1.00 0.00 C ATOM 640 O TRP A 43 -3.639 3.196 8.220 1.00 0.00 O ATOM 641 CB TRP A 43 -2.867 -0.082 8.864 1.00 0.00 C ATOM 642 CG TRP A 43 -1.968 -0.939 9.703 1.00 0.00 C ATOM 643 CD1 TRP A 43 -1.409 -0.610 10.905 1.00 0.00 C ATOM 644 CD2 TRP A 43 -1.523 -2.266 9.401 1.00 0.00 C ATOM 645 NE1 TRP A 43 -0.644 -1.653 11.368 1.00 0.00 N ATOM 646 CE2 TRP A 43 -0.698 -2.681 10.464 1.00 0.00 C ATOM 647 CE3 TRP A 43 -1.743 -3.145 8.337 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -0.093 -3.935 10.492 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -1.142 -4.389 8.365 1.00 0.00 C ATOM 650 CH2 TRP A 43 -0.326 -4.775 9.437 1.00 0.00 C ATOM 0 H TRP A 43 -2.464 2.125 10.385 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.397 1.090 7.821 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.796 0.096 9.405 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.127 -0.623 7.954 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.548 0.331 11.416 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.120 -1.661 12.243 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.372 -2.857 7.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.537 -4.234 11.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.304 -5.075 7.547 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.128 -5.755 9.430 1.00 0.00 H new ATOM 661 N MET A 44 -3.711 1.643 6.593 1.00 0.00 N ATOM 662 CA MET A 44 -4.691 2.369 5.793 1.00 0.00 C ATOM 663 C MET A 44 -5.475 1.415 4.898 1.00 0.00 C ATOM 664 O MET A 44 -4.893 0.673 4.105 1.00 0.00 O ATOM 665 CB MET A 44 -3.998 3.433 4.941 1.00 0.00 C ATOM 666 CG MET A 44 -2.923 4.205 5.689 1.00 0.00 C ATOM 667 SD MET A 44 -2.174 5.502 4.685 1.00 0.00 S ATOM 668 CE MET A 44 -1.106 4.534 3.622 1.00 0.00 C ATOM 0 H MET A 44 -3.410 0.756 6.189 1.00 0.00 H new ATOM 0 HA MET A 44 -5.389 2.857 6.473 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.550 2.954 4.070 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.746 4.134 4.571 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.357 4.649 6.585 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.148 3.513 6.020 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.495 5.202 3.015 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.459 3.904 4.233 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.714 3.906 2.970 1.00 0.00 H new ATOM 678 N TRP A 45 -6.796 1.439 5.029 1.00 0.00 N ATOM 679 CA TRP A 45 -7.659 0.575 4.231 1.00 0.00 C ATOM 680 C TRP A 45 -7.712 1.047 2.782 1.00 0.00 C ATOM 681 O TRP A 45 -8.599 1.810 2.400 1.00 0.00 O ATOM 682 CB TRP A 45 -9.070 0.543 4.822 1.00 0.00 C ATOM 683 CG TRP A 45 -10.021 -0.313 4.042 1.00 0.00 C ATOM 684 CD1 TRP A 45 -10.893 0.101 3.076 1.00 0.00 C ATOM 685 CD2 TRP A 45 -10.197 -1.729 4.164 1.00 0.00 C ATOM 686 NE1 TRP A 45 -11.601 -0.972 2.590 1.00 0.00 N ATOM 687 CE2 TRP A 45 -11.192 -2.106 3.241 1.00 0.00 C ATOM 688 CE3 TRP A 45 -9.610 -2.715 4.962 1.00 0.00 C ATOM 689 CZ2 TRP A 45 -11.611 -3.426 3.096 1.00 0.00 C ATOM 690 CZ3 TRP A 45 -10.027 -4.024 4.818 1.00 0.00 C ATOM 691 CH2 TRP A 45 -11.019 -4.370 3.891 1.00 0.00 C ATOM 0 H TRP A 45 -7.293 2.047 5.680 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.242 -0.432 4.250 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -9.019 0.176 5.847 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.461 1.560 4.867 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -11.009 1.122 2.743 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -12.315 -0.931 1.863 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -8.844 -2.458 5.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -12.375 -3.695 2.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -9.581 -4.794 5.430 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -11.323 -5.403 3.802 1.00 0.00 H new ATOM 702 N VAL A 46 -6.757 0.588 1.980 1.00 0.00 N ATOM 703 CA VAL A 46 -6.696 0.963 0.572 1.00 0.00 C ATOM 704 C VAL A 46 -7.061 -0.213 -0.326 1.00 0.00 C ATOM 705 O VAL A 46 -7.168 -1.351 0.134 1.00 0.00 O ATOM 706 CB VAL A 46 -5.294 1.473 0.187 1.00 0.00 C ATOM 707 CG1 VAL A 46 -4.756 2.413 1.255 1.00 0.00 C ATOM 708 CG2 VAL A 46 -4.345 0.304 -0.034 1.00 0.00 C ATOM 0 H VAL A 46 -6.015 -0.044 2.281 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.419 1.766 0.427 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.372 2.030 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.765 2.763 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.426 3.266 1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.691 1.884 2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.359 0.682 -0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.270 -0.282 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.725 -0.327 -0.837 1.00 0.00 H new ATOM 718 N THR A 47 -7.252 0.067 -1.611 1.00 0.00 N ATOM 719 CA THR A 47 -7.606 -0.967 -2.575 1.00 0.00 C ATOM 720 C THR A 47 -6.538 -1.102 -3.654 1.00 0.00 C ATOM 721 O THR A 47 -6.264 -0.157 -4.391 1.00 0.00 O ATOM 722 CB THR A 47 -8.961 -0.670 -3.245 1.00 0.00 C ATOM 723 OG1 THR A 47 -9.992 -0.601 -2.254 1.00 0.00 O ATOM 724 CG2 THR A 47 -9.305 -1.742 -4.268 1.00 0.00 C ATOM 0 H THR A 47 -7.167 1.002 -2.009 1.00 0.00 H new ATOM 0 HA THR A 47 -7.680 -1.903 -2.021 1.00 0.00 H new ATOM 0 HB THR A 47 -8.886 0.289 -3.758 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.850 -0.410 -2.687 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.266 -1.511 -4.728 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.533 -1.773 -5.037 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.363 -2.712 -3.773 1.00 0.00 H new ATOM 732 N ASN A 48 -5.938 -2.285 -3.741 1.00 0.00 N ATOM 733 CA ASN A 48 -4.898 -2.544 -4.731 1.00 0.00 C ATOM 734 C ASN A 48 -5.484 -2.573 -6.139 1.00 0.00 C ATOM 735 O ASN A 48 -6.470 -3.264 -6.399 1.00 0.00 O ATOM 736 CB ASN A 48 -4.198 -3.870 -4.430 1.00 0.00 C ATOM 737 CG ASN A 48 -2.902 -4.028 -5.202 1.00 0.00 C ATOM 738 OD1 ASN A 48 -2.643 -3.296 -6.158 1.00 0.00 O ATOM 739 ND2 ASN A 48 -2.080 -4.986 -4.789 1.00 0.00 N ATOM 0 H ASN A 48 -6.154 -3.079 -3.138 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.169 -1.736 -4.677 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.991 -3.934 -3.362 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.867 -4.695 -4.676 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.193 -5.139 -5.269 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.336 -5.569 -3.992 1.00 0.00 H new ATOM 746 N LEU A 49 -4.870 -1.820 -7.045 1.00 0.00 N ATOM 747 CA LEU A 49 -5.330 -1.759 -8.428 1.00 0.00 C ATOM 748 C LEU A 49 -4.809 -2.950 -9.228 1.00 0.00 C ATOM 749 O LEU A 49 -5.278 -3.220 -10.334 1.00 0.00 O ATOM 750 CB LEU A 49 -4.874 -0.453 -9.081 1.00 0.00 C ATOM 751 CG LEU A 49 -5.455 0.832 -8.490 1.00 0.00 C ATOM 752 CD1 LEU A 49 -5.015 2.040 -9.302 1.00 0.00 C ATOM 753 CD2 LEU A 49 -6.973 0.752 -8.429 1.00 0.00 C ATOM 0 H LEU A 49 -4.052 -1.243 -6.847 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.419 -1.795 -8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.787 -0.399 -9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.131 -0.491 -10.140 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.076 0.946 -7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.438 2.945 -8.866 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.927 2.108 -9.293 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.364 1.935 -10.329 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.369 1.675 -8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.371 0.614 -9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.268 -0.090 -7.803 1.00 0.00 H new ATOM 765 N ARG A 50 -3.840 -3.659 -8.659 1.00 0.00 N ATOM 766 CA ARG A 50 -3.256 -4.821 -9.318 1.00 0.00 C ATOM 767 C ARG A 50 -4.137 -6.053 -9.128 1.00 0.00 C ATOM 768 O ARG A 50 -4.360 -6.821 -10.065 1.00 0.00 O ATOM 769 CB ARG A 50 -1.854 -5.094 -8.771 1.00 0.00 C ATOM 770 CG ARG A 50 -0.951 -5.827 -9.749 1.00 0.00 C ATOM 771 CD ARG A 50 -1.091 -7.335 -9.614 1.00 0.00 C ATOM 772 NE ARG A 50 -0.152 -7.887 -8.641 1.00 0.00 N ATOM 773 CZ ARG A 50 -0.334 -9.048 -8.021 1.00 0.00 C ATOM 774 NH1 ARG A 50 -1.413 -9.776 -8.273 1.00 0.00 N ATOM 775 NH2 ARG A 50 0.566 -9.483 -7.148 1.00 0.00 N ATOM 0 H ARG A 50 -3.443 -3.449 -7.743 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.186 -4.606 -10.384 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.388 -4.147 -8.500 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.938 -5.681 -7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.197 -5.527 -10.768 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.086 -5.540 -9.574 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.110 -7.579 -9.313 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.924 -7.803 -10.584 1.00 0.00 H new ATOM 0 HE ARG A 50 0.689 -7.352 -8.426 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.106 -9.445 -8.944 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.550 -10.667 -7.796 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.398 -8.926 -6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.426 -10.374 -6.672 1.00 0.00 H new ATOM 789 N THR A 51 -4.635 -6.236 -7.909 1.00 0.00 N ATOM 790 CA THR A 51 -5.489 -7.374 -7.595 1.00 0.00 C ATOM 791 C THR A 51 -6.931 -6.934 -7.370 1.00 0.00 C ATOM 792 O THR A 51 -7.820 -7.763 -7.181 1.00 0.00 O ATOM 793 CB THR A 51 -4.991 -8.121 -6.344 1.00 0.00 C ATOM 794 OG1 THR A 51 -5.362 -7.401 -5.163 1.00 0.00 O ATOM 795 CG2 THR A 51 -3.481 -8.297 -6.383 1.00 0.00 C ATOM 0 H THR A 51 -4.461 -5.610 -7.123 1.00 0.00 H new ATOM 0 HA THR A 51 -5.447 -8.047 -8.452 1.00 0.00 H new ATOM 0 HB THR A 51 -5.455 -9.107 -6.329 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.043 -7.884 -4.372 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.153 -8.827 -5.489 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.204 -8.871 -7.267 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.002 -7.319 -6.421 1.00 0.00 H new ATOM 803 N ASP A 52 -7.155 -5.625 -7.394 1.00 0.00 N ATOM 804 CA ASP A 52 -8.491 -5.074 -7.194 1.00 0.00 C ATOM 805 C ASP A 52 -9.074 -5.534 -5.862 1.00 0.00 C ATOM 806 O ASP A 52 -10.278 -5.763 -5.747 1.00 0.00 O ATOM 807 CB ASP A 52 -9.414 -5.491 -8.340 1.00 0.00 C ATOM 808 CG ASP A 52 -10.573 -4.532 -8.529 1.00 0.00 C ATOM 809 OD1 ASP A 52 -10.337 -3.407 -9.016 1.00 0.00 O ATOM 810 OD2 ASP A 52 -11.714 -4.906 -8.188 1.00 0.00 O ATOM 0 H ASP A 52 -6.429 -4.925 -7.550 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.411 -3.987 -7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.838 -5.547 -9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.802 -6.491 -8.145 1.00 0.00 H new ATOM 815 N GLU A 53 -8.213 -5.667 -4.858 1.00 0.00 N ATOM 816 CA GLU A 53 -8.644 -6.101 -3.534 1.00 0.00 C ATOM 817 C GLU A 53 -8.405 -5.006 -2.498 1.00 0.00 C ATOM 818 O GLU A 53 -7.688 -4.040 -2.756 1.00 0.00 O ATOM 819 CB GLU A 53 -7.903 -7.376 -3.125 1.00 0.00 C ATOM 820 CG GLU A 53 -8.284 -8.593 -3.952 1.00 0.00 C ATOM 821 CD GLU A 53 -9.558 -9.254 -3.464 1.00 0.00 C ATOM 822 OE1 GLU A 53 -9.494 -9.993 -2.459 1.00 0.00 O ATOM 823 OE2 GLU A 53 -10.617 -9.034 -4.087 1.00 0.00 O ATOM 0 H GLU A 53 -7.213 -5.481 -4.936 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.713 -6.309 -3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.830 -7.207 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.106 -7.583 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.409 -8.295 -4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.469 -9.317 -3.923 1.00 0.00 H new ATOM 830 N GLN A 54 -9.012 -5.166 -1.327 1.00 0.00 N ATOM 831 CA GLN A 54 -8.867 -4.191 -0.252 1.00 0.00 C ATOM 832 C GLN A 54 -8.314 -4.848 1.008 1.00 0.00 C ATOM 833 O GLN A 54 -8.531 -6.035 1.247 1.00 0.00 O ATOM 834 CB GLN A 54 -10.213 -3.531 0.051 1.00 0.00 C ATOM 835 CG GLN A 54 -11.131 -3.438 -1.157 1.00 0.00 C ATOM 836 CD GLN A 54 -12.495 -2.874 -0.811 1.00 0.00 C ATOM 837 OE1 GLN A 54 -12.785 -2.588 0.351 1.00 0.00 O ATOM 838 NE2 GLN A 54 -13.342 -2.712 -1.821 1.00 0.00 N ATOM 0 H GLN A 54 -9.609 -5.961 -1.098 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.162 -3.428 -0.581 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -10.716 -4.095 0.837 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.037 -2.529 0.441 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.664 -2.810 -1.916 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.252 -4.429 -1.594 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -13.060 -2.962 -2.769 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -14.275 -2.337 -1.649 1.00 0.00 H new ATOM 847 N GLY A 55 -7.597 -4.068 1.811 1.00 0.00 N ATOM 848 CA GLY A 55 -7.024 -4.592 3.037 1.00 0.00 C ATOM 849 C GLY A 55 -6.249 -3.543 3.809 1.00 0.00 C ATOM 850 O GLY A 55 -6.264 -2.363 3.455 1.00 0.00 O ATOM 0 H GLY A 55 -7.403 -3.082 1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.821 -4.987 3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.363 -5.425 2.798 1.00 0.00 H new ATOM 854 N LEU A 56 -5.570 -3.971 4.868 1.00 0.00 N ATOM 855 CA LEU A 56 -4.787 -3.060 5.694 1.00 0.00 C ATOM 856 C LEU A 56 -3.306 -3.138 5.337 1.00 0.00 C ATOM 857 O LEU A 56 -2.657 -4.161 5.558 1.00 0.00 O ATOM 858 CB LEU A 56 -4.983 -3.386 7.176 1.00 0.00 C ATOM 859 CG LEU A 56 -6.421 -3.320 7.693 1.00 0.00 C ATOM 860 CD1 LEU A 56 -6.562 -4.112 8.983 1.00 0.00 C ATOM 861 CD2 LEU A 56 -6.846 -1.874 7.904 1.00 0.00 C ATOM 0 H LEU A 56 -5.546 -4.944 5.174 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.136 -2.045 5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.597 -4.388 7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.375 -2.697 7.763 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.076 -3.765 6.944 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.592 -4.053 9.335 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.300 -5.154 8.801 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.896 -3.697 9.739 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.872 -1.846 8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.186 -1.403 8.633 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.785 -1.335 6.958 1.00 0.00 H new ATOM 873 N ILE A 57 -2.777 -2.050 4.786 1.00 0.00 N ATOM 874 CA ILE A 57 -1.372 -1.995 4.402 1.00 0.00 C ATOM 875 C ILE A 57 -0.610 -0.982 5.250 1.00 0.00 C ATOM 876 O ILE A 57 -1.202 -0.077 5.837 1.00 0.00 O ATOM 877 CB ILE A 57 -1.209 -1.628 2.915 1.00 0.00 C ATOM 878 CG1 ILE A 57 -1.719 -0.208 2.658 1.00 0.00 C ATOM 879 CG2 ILE A 57 -1.949 -2.628 2.039 1.00 0.00 C ATOM 880 CD1 ILE A 57 -1.003 0.495 1.526 1.00 0.00 C ATOM 0 H ILE A 57 -3.300 -1.195 4.596 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.960 -2.990 4.570 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.150 -1.665 2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.785 -0.248 2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.607 0.380 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.825 -2.356 0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.544 -3.626 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.009 -2.619 2.293 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.416 1.496 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.060 0.567 1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.136 -0.071 0.604 1.00 0.00 H new ATOM 892 N VAL A 58 0.708 -1.141 5.309 1.00 0.00 N ATOM 893 CA VAL A 58 1.553 -0.239 6.082 1.00 0.00 C ATOM 894 C VAL A 58 2.063 0.911 5.221 1.00 0.00 C ATOM 895 O VAL A 58 2.468 0.709 4.076 1.00 0.00 O ATOM 896 CB VAL A 58 2.757 -0.982 6.692 1.00 0.00 C ATOM 897 CG1 VAL A 58 3.806 -1.264 5.627 1.00 0.00 C ATOM 898 CG2 VAL A 58 3.352 -0.180 7.839 1.00 0.00 C ATOM 0 H VAL A 58 1.214 -1.886 4.831 1.00 0.00 H new ATOM 0 HA VAL A 58 0.936 0.160 6.887 1.00 0.00 H new ATOM 0 HB VAL A 58 2.410 -1.937 7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.649 -1.789 6.076 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.370 -1.882 4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.152 -0.323 5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.201 -0.720 8.258 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.685 0.790 7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.597 -0.035 8.612 1.00 0.00 H new ATOM 908 N GLU A 59 2.041 2.117 5.780 1.00 0.00 N ATOM 909 CA GLU A 59 2.502 3.299 5.061 1.00 0.00 C ATOM 910 C GLU A 59 4.023 3.302 4.936 1.00 0.00 C ATOM 911 O GLU A 59 4.598 4.147 4.250 1.00 0.00 O ATOM 912 CB GLU A 59 2.036 4.570 5.775 1.00 0.00 C ATOM 913 CG GLU A 59 2.941 4.993 6.919 1.00 0.00 C ATOM 914 CD GLU A 59 2.534 6.322 7.525 1.00 0.00 C ATOM 915 OE1 GLU A 59 1.320 6.542 7.712 1.00 0.00 O ATOM 916 OE2 GLU A 59 3.432 7.142 7.812 1.00 0.00 O ATOM 0 H GLU A 59 1.709 2.301 6.727 1.00 0.00 H new ATOM 0 HA GLU A 59 2.073 3.274 4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.977 5.382 5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.028 4.412 6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.925 4.225 7.693 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.968 5.061 6.559 1.00 0.00 H new ATOM 923 N ASP A 60 4.667 2.351 5.603 1.00 0.00 N ATOM 924 CA ASP A 60 6.121 2.242 5.566 1.00 0.00 C ATOM 925 C ASP A 60 6.577 1.475 4.329 1.00 0.00 C ATOM 926 O ASP A 60 7.760 1.480 3.985 1.00 0.00 O ATOM 927 CB ASP A 60 6.633 1.549 6.830 1.00 0.00 C ATOM 928 CG ASP A 60 6.635 2.468 8.035 1.00 0.00 C ATOM 929 OD1 ASP A 60 7.354 3.488 8.001 1.00 0.00 O ATOM 930 OD2 ASP A 60 5.917 2.167 9.012 1.00 0.00 O ATOM 0 H ASP A 60 4.206 1.644 6.176 1.00 0.00 H new ATOM 0 HA ASP A 60 6.536 3.249 5.520 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.011 0.679 7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.644 1.182 6.655 1.00 0.00 H new ATOM 935 N LEU A 61 5.633 0.817 3.665 1.00 0.00 N ATOM 936 CA LEU A 61 5.939 0.045 2.466 1.00 0.00 C ATOM 937 C LEU A 61 5.589 0.832 1.208 1.00 0.00 C ATOM 938 O LEU A 61 6.177 0.619 0.147 1.00 0.00 O ATOM 939 CB LEU A 61 5.174 -1.280 2.482 1.00 0.00 C ATOM 940 CG LEU A 61 5.830 -2.425 3.256 1.00 0.00 C ATOM 941 CD1 LEU A 61 4.858 -3.583 3.422 1.00 0.00 C ATOM 942 CD2 LEU A 61 7.098 -2.886 2.554 1.00 0.00 C ATOM 0 H LEU A 61 4.650 0.803 3.937 1.00 0.00 H new ATOM 0 HA LEU A 61 7.010 -0.160 2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.186 -1.101 2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.025 -1.603 1.452 1.00 0.00 H new ATOM 0 HG LEU A 61 6.100 -2.060 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.342 -4.388 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.979 -3.244 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.556 -3.948 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.551 -3.701 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.853 -3.233 1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.801 -2.055 2.489 1.00 0.00 H new ATOM 954 N VAL A 62 4.630 1.743 1.333 1.00 0.00 N ATOM 955 CA VAL A 62 4.204 2.565 0.207 1.00 0.00 C ATOM 956 C VAL A 62 4.744 3.986 0.328 1.00 0.00 C ATOM 957 O VAL A 62 5.341 4.349 1.341 1.00 0.00 O ATOM 958 CB VAL A 62 2.669 2.619 0.099 1.00 0.00 C ATOM 959 CG1 VAL A 62 2.081 1.217 0.147 1.00 0.00 C ATOM 960 CG2 VAL A 62 2.088 3.487 1.205 1.00 0.00 C ATOM 0 H VAL A 62 4.133 1.931 2.204 1.00 0.00 H new ATOM 0 HA VAL A 62 4.608 2.101 -0.693 1.00 0.00 H new ATOM 0 HB VAL A 62 2.405 3.066 -0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.995 1.275 0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.473 0.629 -0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.352 0.741 1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.002 3.514 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.360 3.071 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.485 4.499 1.120 1.00 0.00 H new ATOM 970 N GLU A 63 4.530 4.785 -0.713 1.00 0.00 N ATOM 971 CA GLU A 63 4.996 6.167 -0.722 1.00 0.00 C ATOM 972 C GLU A 63 3.890 7.111 -1.186 1.00 0.00 C ATOM 973 O GLU A 63 3.029 6.732 -1.979 1.00 0.00 O ATOM 974 CB GLU A 63 6.219 6.310 -1.631 1.00 0.00 C ATOM 975 CG GLU A 63 5.944 5.952 -3.082 1.00 0.00 C ATOM 976 CD GLU A 63 5.488 7.145 -3.901 1.00 0.00 C ATOM 977 OE1 GLU A 63 6.174 8.187 -3.864 1.00 0.00 O ATOM 978 OE2 GLU A 63 4.445 7.034 -4.578 1.00 0.00 O ATOM 0 H GLU A 63 4.038 4.500 -1.560 1.00 0.00 H new ATOM 0 HA GLU A 63 5.276 6.436 0.296 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.580 7.337 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.018 5.672 -1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.847 5.535 -3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.180 5.175 -3.122 1.00 0.00 H new ATOM 985 N GLU A 64 3.922 8.342 -0.685 1.00 0.00 N ATOM 986 CA GLU A 64 2.923 9.339 -1.047 1.00 0.00 C ATOM 987 C GLU A 64 3.076 9.759 -2.507 1.00 0.00 C ATOM 988 O GLU A 64 4.159 10.152 -2.941 1.00 0.00 O ATOM 989 CB GLU A 64 3.039 10.565 -0.138 1.00 0.00 C ATOM 990 CG GLU A 64 4.262 11.421 -0.425 1.00 0.00 C ATOM 991 CD GLU A 64 4.457 12.521 0.600 1.00 0.00 C ATOM 992 OE1 GLU A 64 3.971 12.362 1.740 1.00 0.00 O ATOM 993 OE2 GLU A 64 5.096 13.540 0.264 1.00 0.00 O ATOM 0 H GLU A 64 4.629 8.672 -0.028 1.00 0.00 H new ATOM 0 HA GLU A 64 1.938 8.891 -0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.143 11.176 -0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.072 10.235 0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.148 10.787 -0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.166 11.865 -1.416 1.00 0.00 H new