USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 710 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 HIS : no HE2:sc= -1.52 K(o=-1.4,f=-5.2!) USER MOD Set 1.2: A 79 THR OG1 : rot 109:sc= 0.171 USER MOD Set 2.1: A 41 ASN : amide:sc= 0.777 K(o=-1.4,f=-2.5) USER MOD Set 2.2: A 44 ASN : amide:sc= -2.22! C(o=-1.4!,f=-4.3!) USER MOD Set 3.1: A 7 LYS NZ :NH3+ 178:sc= 0.2 (180deg=-0.354) USER MOD Set 3.2: A 77 SER OG : rot -71:sc= 0.737 USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= 0.541 (180deg=0.32) USER MOD Single : A 13 TYR OH : rot 130:sc= -0.104 USER MOD Single : A 15 MET CE :methyl -107:sc= -2.05 (180deg=-3.25!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 32 THR OG1 : rot -147:sc= 0.767 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 178:sc= 0 (180deg=-0.0126) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -124:sc= -0.305 (180deg=-0.646) USER MOD Single : A 51 TYR OH : rot 30:sc= -0.0378 USER MOD Single : A 56 MET CE :methyl 162:sc= -0.568 (180deg=-1.4) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 140:sc= -0.0288 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= 0.0379 X(o=0.038,f=-0.013) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -130:sc= 0.0328 USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 12.235 1.595 0.305 1.00 0.00 N ATOM 40 CA GLU A 4 11.698 1.271 1.637 1.00 0.00 C ATOM 41 C GLU A 4 10.812 2.389 2.214 1.00 0.00 C ATOM 42 O GLU A 4 10.039 2.129 3.136 1.00 0.00 O ATOM 43 CB GLU A 4 12.865 0.999 2.608 1.00 0.00 C ATOM 44 CG GLU A 4 13.778 2.223 2.837 1.00 0.00 C ATOM 45 CD GLU A 4 14.996 1.893 3.704 1.00 0.00 C ATOM 46 OE1 GLU A 4 14.908 2.003 4.947 1.00 0.00 O ATOM 47 OE2 GLU A 4 16.040 1.513 3.142 1.00 0.00 O ATOM 0 HA GLU A 4 11.071 0.386 1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.461 0.674 3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.465 0.176 2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.115 2.606 1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.203 3.017 3.312 1.00 0.00 H new ATOM 54 N GLU A 5 10.957 3.633 1.685 1.00 0.00 N ATOM 55 CA GLU A 5 10.191 4.795 2.169 1.00 0.00 C ATOM 56 C GLU A 5 8.691 4.554 1.929 1.00 0.00 C ATOM 57 O GLU A 5 7.860 4.824 2.789 1.00 0.00 O ATOM 58 CB GLU A 5 10.659 6.122 1.478 1.00 0.00 C ATOM 59 CG GLU A 5 10.213 6.312 0.004 1.00 0.00 C ATOM 60 CD GLU A 5 10.757 7.592 -0.659 1.00 0.00 C ATOM 61 OE1 GLU A 5 11.953 7.631 -1.005 1.00 0.00 O ATOM 62 OE2 GLU A 5 9.988 8.564 -0.843 1.00 0.00 O ATOM 0 H GLU A 5 11.600 3.849 0.923 1.00 0.00 H new ATOM 0 HA GLU A 5 10.372 4.909 3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.286 6.964 2.062 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.747 6.165 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.538 5.449 -0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.124 6.330 -0.035 1.00 0.00 H new ATOM 69 N VAL A 6 8.389 3.971 0.756 1.00 0.00 N ATOM 70 CA VAL A 6 7.026 3.645 0.334 1.00 0.00 C ATOM 71 C VAL A 6 6.487 2.495 1.194 1.00 0.00 C ATOM 72 O VAL A 6 5.390 2.582 1.743 1.00 0.00 O ATOM 73 CB VAL A 6 6.999 3.258 -1.196 1.00 0.00 C ATOM 74 CG1 VAL A 6 5.571 2.909 -1.679 1.00 0.00 C ATOM 75 CG2 VAL A 6 7.639 4.372 -2.072 1.00 0.00 C ATOM 0 H VAL A 6 9.097 3.712 0.069 1.00 0.00 H new ATOM 0 HA VAL A 6 6.389 4.519 0.470 1.00 0.00 H new ATOM 0 HB VAL A 6 7.603 2.358 -1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.598 2.649 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.190 2.063 -1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.917 3.769 -1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.605 4.075 -3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.085 5.302 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.676 4.521 -1.771 1.00 0.00 H new ATOM 85 N LYS A 7 7.316 1.452 1.340 1.00 0.00 N ATOM 86 CA LYS A 7 6.970 0.238 2.092 1.00 0.00 C ATOM 87 C LYS A 7 6.626 0.549 3.565 1.00 0.00 C ATOM 88 O LYS A 7 5.557 0.164 4.049 1.00 0.00 O ATOM 89 CB LYS A 7 8.130 -0.817 1.960 1.00 0.00 C ATOM 90 CG LYS A 7 7.980 -1.733 0.718 1.00 0.00 C ATOM 91 CD LYS A 7 9.239 -2.541 0.323 1.00 0.00 C ATOM 92 CE LYS A 7 10.323 -1.666 -0.319 1.00 0.00 C ATOM 93 NZ LYS A 7 9.844 -1.001 -1.567 1.00 0.00 N ATOM 0 H LYS A 7 8.252 1.427 0.936 1.00 0.00 H new ATOM 0 HA LYS A 7 6.066 -0.192 1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.085 -0.294 1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.156 -1.434 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.165 -2.433 0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.685 -1.117 -0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.647 -3.027 1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.956 -3.331 -0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.645 -0.907 0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.195 -2.279 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.598 -0.394 -1.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.593 -1.724 -2.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.008 -0.421 -1.352 1.00 0.00 H new ATOM 107 N GLU A 8 7.501 1.294 4.251 1.00 0.00 N ATOM 108 CA GLU A 8 7.390 1.516 5.703 1.00 0.00 C ATOM 109 C GLU A 8 6.244 2.495 6.033 1.00 0.00 C ATOM 110 O GLU A 8 5.572 2.344 7.064 1.00 0.00 O ATOM 111 CB GLU A 8 8.774 1.984 6.282 1.00 0.00 C ATOM 112 CG GLU A 8 9.067 3.524 6.251 1.00 0.00 C ATOM 113 CD GLU A 8 8.874 4.235 7.617 1.00 0.00 C ATOM 114 OE1 GLU A 8 8.033 3.791 8.432 1.00 0.00 O ATOM 115 OE2 GLU A 8 9.579 5.229 7.890 1.00 0.00 O ATOM 0 H GLU A 8 8.301 1.758 3.822 1.00 0.00 H new ATOM 0 HA GLU A 8 7.133 0.575 6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.842 1.646 7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.564 1.476 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.092 3.681 5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.414 3.992 5.515 1.00 0.00 H new ATOM 122 N LYS A 9 6.012 3.470 5.146 1.00 0.00 N ATOM 123 CA LYS A 9 4.912 4.436 5.287 1.00 0.00 C ATOM 124 C LYS A 9 3.554 3.735 5.171 1.00 0.00 C ATOM 125 O LYS A 9 2.709 3.845 6.074 1.00 0.00 O ATOM 126 CB LYS A 9 5.043 5.549 4.218 1.00 0.00 C ATOM 127 CG LYS A 9 6.075 6.638 4.560 1.00 0.00 C ATOM 128 CD LYS A 9 6.148 7.739 3.483 1.00 0.00 C ATOM 129 CE LYS A 9 7.130 8.847 3.865 1.00 0.00 C ATOM 130 NZ LYS A 9 6.758 9.489 5.154 1.00 0.00 N ATOM 0 H LYS A 9 6.580 3.613 4.311 1.00 0.00 H new ATOM 0 HA LYS A 9 4.973 4.890 6.276 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.316 5.092 3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.069 6.019 4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.819 7.088 5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.058 6.180 4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.450 7.298 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.157 8.168 3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.135 8.432 3.941 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.155 9.600 3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.315 10.358 5.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.745 9.725 5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.954 8.834 5.937 1.00 0.00 H new ATOM 144 N ILE A 10 3.362 3.002 4.057 1.00 0.00 N ATOM 145 CA ILE A 10 2.102 2.299 3.777 1.00 0.00 C ATOM 146 C ILE A 10 1.809 1.261 4.869 1.00 0.00 C ATOM 147 O ILE A 10 0.684 1.214 5.371 1.00 0.00 O ATOM 148 CB ILE A 10 2.110 1.617 2.360 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.296 2.687 1.246 1.00 0.00 C ATOM 150 CG2 ILE A 10 0.821 0.781 2.106 1.00 0.00 C ATOM 151 CD1 ILE A 10 2.450 2.124 -0.158 1.00 0.00 C ATOM 0 H ILE A 10 4.071 2.883 3.334 1.00 0.00 H new ATOM 0 HA ILE A 10 1.308 3.046 3.776 1.00 0.00 H new ATOM 0 HB ILE A 10 2.953 0.926 2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.438 3.360 1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.176 3.287 1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.870 0.328 1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.741 -0.003 2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.052 1.431 2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.574 2.943 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.325 1.475 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.561 1.550 -0.419 1.00 0.00 H new ATOM 163 N ARG A 11 2.851 0.488 5.291 1.00 0.00 N ATOM 164 CA ARG A 11 2.672 -0.607 6.265 1.00 0.00 C ATOM 165 C ARG A 11 2.209 -0.046 7.607 1.00 0.00 C ATOM 166 O ARG A 11 1.384 -0.654 8.278 1.00 0.00 O ATOM 167 CB ARG A 11 3.955 -1.503 6.400 1.00 0.00 C ATOM 168 CG ARG A 11 5.210 -0.947 7.132 1.00 0.00 C ATOM 169 CD ARG A 11 5.205 -1.105 8.671 1.00 0.00 C ATOM 170 NE ARG A 11 6.574 -1.194 9.237 1.00 0.00 N ATOM 171 CZ ARG A 11 7.468 -0.193 9.351 1.00 0.00 C ATOM 172 NH1 ARG A 11 7.174 1.036 8.944 1.00 0.00 N ATOM 173 NH2 ARG A 11 8.660 -0.436 9.859 1.00 0.00 N ATOM 0 H ARG A 11 3.812 0.609 4.970 1.00 0.00 H new ATOM 0 HA ARG A 11 1.892 -1.269 5.890 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.660 -2.420 6.911 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.263 -1.784 5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.093 -1.448 6.735 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.310 0.112 6.893 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.685 -0.258 9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.645 -2.001 8.939 1.00 0.00 H new ATOM 0 HE ARG A 11 6.869 -2.110 9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.260 1.234 8.538 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.863 1.783 9.038 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.902 -1.379 10.164 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.340 0.319 9.947 1.00 0.00 H new ATOM 187 N ARG A 12 2.711 1.153 7.945 1.00 0.00 N ATOM 188 CA ARG A 12 2.414 1.810 9.219 1.00 0.00 C ATOM 189 C ARG A 12 0.979 2.372 9.209 1.00 0.00 C ATOM 190 O ARG A 12 0.297 2.343 10.232 1.00 0.00 O ATOM 191 CB ARG A 12 3.485 2.925 9.516 1.00 0.00 C ATOM 192 CG ARG A 12 4.172 2.829 10.899 1.00 0.00 C ATOM 193 CD ARG A 12 4.800 1.454 11.154 1.00 0.00 C ATOM 194 NE ARG A 12 5.259 1.268 12.545 1.00 0.00 N ATOM 195 CZ ARG A 12 6.539 1.284 12.973 1.00 0.00 C ATOM 196 NH1 ARG A 12 7.543 1.486 12.124 1.00 0.00 N ATOM 197 NH2 ARG A 12 6.804 1.083 14.254 1.00 0.00 N ATOM 0 H ARG A 12 3.333 1.690 7.340 1.00 0.00 H new ATOM 0 HA ARG A 12 2.470 1.079 10.025 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.253 2.883 8.743 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.003 3.899 9.435 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.944 3.595 10.971 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.440 3.040 11.679 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.072 0.680 10.913 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.645 1.318 10.479 1.00 0.00 H new ATOM 0 HE ARG A 12 4.539 1.112 13.251 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.351 1.632 11.133 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.505 1.495 12.464 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.043 0.917 14.912 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.769 1.094 14.583 1.00 0.00 H new ATOM 211 N TYR A 13 0.527 2.847 8.033 1.00 0.00 N ATOM 212 CA TYR A 13 -0.839 3.368 7.850 1.00 0.00 C ATOM 213 C TYR A 13 -1.875 2.233 7.923 1.00 0.00 C ATOM 214 O TYR A 13 -3.000 2.430 8.404 1.00 0.00 O ATOM 215 CB TYR A 13 -0.956 4.102 6.503 1.00 0.00 C ATOM 216 CG TYR A 13 -2.323 4.759 6.271 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.774 5.781 7.105 1.00 0.00 C ATOM 218 CD2 TYR A 13 -3.155 4.359 5.227 1.00 0.00 C ATOM 219 CE1 TYR A 13 -3.996 6.378 6.905 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.378 4.952 5.023 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.799 5.960 5.859 1.00 0.00 C ATOM 222 OH TYR A 13 -6.034 6.539 5.659 1.00 0.00 O ATOM 0 H TYR A 13 1.096 2.880 7.187 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.043 4.072 8.657 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.182 4.867 6.449 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.762 3.395 5.697 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.151 6.110 7.924 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.833 3.568 4.566 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.327 7.169 7.561 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.007 4.627 4.208 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.120 6.810 4.721 1.00 0.00 H new ATOM 232 N ILE A 14 -1.488 1.049 7.424 1.00 0.00 N ATOM 233 CA ILE A 14 -2.312 -0.165 7.517 1.00 0.00 C ATOM 234 C ILE A 14 -2.531 -0.524 8.999 1.00 0.00 C ATOM 235 O ILE A 14 -3.625 -0.909 9.397 1.00 0.00 O ATOM 236 CB ILE A 14 -1.640 -1.365 6.762 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.447 -1.030 5.250 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.449 -2.674 6.930 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.445 -1.923 4.541 1.00 0.00 C ATOM 0 H ILE A 14 -0.598 0.907 6.946 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.274 0.031 7.043 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.660 -1.524 7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.410 -1.110 4.745 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.123 0.007 5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.951 -3.481 6.393 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.514 -2.928 7.988 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.453 -2.536 6.528 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.369 -1.625 3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.530 -1.826 5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.776 -2.960 4.600 1.00 0.00 H new ATOM 251 N MET A 15 -1.471 -0.347 9.798 1.00 0.00 N ATOM 252 CA MET A 15 -1.485 -0.618 11.247 1.00 0.00 C ATOM 253 C MET A 15 -2.414 0.348 12.005 1.00 0.00 C ATOM 254 O MET A 15 -3.072 -0.050 12.970 1.00 0.00 O ATOM 255 CB MET A 15 -0.039 -0.518 11.798 1.00 0.00 C ATOM 256 CG MET A 15 0.929 -1.514 11.166 1.00 0.00 C ATOM 257 SD MET A 15 2.658 -1.181 11.519 1.00 0.00 S ATOM 258 CE MET A 15 2.666 -1.332 13.290 1.00 0.00 C ATOM 0 H MET A 15 -0.571 -0.009 9.457 1.00 0.00 H new ATOM 0 HA MET A 15 -1.874 -1.624 11.402 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.334 0.493 11.633 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.059 -0.678 12.876 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.684 -2.516 11.518 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.783 -1.511 10.086 1.00 0.00 H new ATOM 0 HE1 MET A 15 2.760 -0.343 13.739 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.735 -1.793 13.620 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.508 -1.952 13.598 1.00 0.00 H new ATOM 268 N GLU A 16 -2.441 1.610 11.556 1.00 0.00 N ATOM 269 CA GLU A 16 -3.247 2.680 12.174 1.00 0.00 C ATOM 270 C GLU A 16 -4.724 2.596 11.740 1.00 0.00 C ATOM 271 O GLU A 16 -5.600 2.206 12.517 1.00 0.00 O ATOM 272 CB GLU A 16 -2.664 4.068 11.780 1.00 0.00 C ATOM 273 CG GLU A 16 -1.220 4.318 12.243 1.00 0.00 C ATOM 274 CD GLU A 16 -1.106 4.538 13.762 1.00 0.00 C ATOM 275 OE1 GLU A 16 -1.004 3.554 14.527 1.00 0.00 O ATOM 276 OE2 GLU A 16 -1.125 5.705 14.204 1.00 0.00 O ATOM 0 H GLU A 16 -1.902 1.923 10.749 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.205 2.553 13.256 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.705 4.168 10.695 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.304 4.846 12.197 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.600 3.468 11.957 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.824 5.191 11.724 1.00 0.00 H new ATOM 283 N ASP A 17 -4.961 2.945 10.473 1.00 0.00 N ATOM 284 CA ASP A 17 -6.297 3.229 9.936 1.00 0.00 C ATOM 285 C ASP A 17 -7.080 1.950 9.596 1.00 0.00 C ATOM 286 O ASP A 17 -8.229 1.782 10.029 1.00 0.00 O ATOM 287 CB ASP A 17 -6.144 4.125 8.687 1.00 0.00 C ATOM 288 CG ASP A 17 -7.458 4.377 7.931 1.00 0.00 C ATOM 289 OD1 ASP A 17 -8.345 5.063 8.477 1.00 0.00 O ATOM 290 OD2 ASP A 17 -7.600 3.910 6.790 1.00 0.00 O ATOM 0 H ASP A 17 -4.219 3.040 9.779 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.875 3.744 10.703 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.722 5.083 8.990 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.429 3.663 8.007 1.00 0.00 H new ATOM 295 N LEU A 18 -6.442 1.062 8.812 1.00 0.00 N ATOM 296 CA LEU A 18 -7.090 -0.145 8.267 1.00 0.00 C ATOM 297 C LEU A 18 -7.381 -1.162 9.391 1.00 0.00 C ATOM 298 O LEU A 18 -8.523 -1.615 9.558 1.00 0.00 O ATOM 299 CB LEU A 18 -6.211 -0.803 7.154 1.00 0.00 C ATOM 300 CG LEU A 18 -6.117 -0.059 5.774 1.00 0.00 C ATOM 301 CD1 LEU A 18 -5.475 1.344 5.877 1.00 0.00 C ATOM 302 CD2 LEU A 18 -5.373 -0.936 4.744 1.00 0.00 C ATOM 0 H LEU A 18 -5.464 1.161 8.539 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.036 0.159 7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.200 -0.916 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.595 -1.806 6.970 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.140 0.105 5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.441 1.802 4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.069 1.968 6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.462 1.253 6.270 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.315 -0.409 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.366 -1.146 5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.912 -1.873 4.607 1.00 0.00 H new ATOM 314 N ILE A 19 -6.331 -1.514 10.154 1.00 0.00 N ATOM 315 CA ILE A 19 -6.427 -2.486 11.254 1.00 0.00 C ATOM 316 C ILE A 19 -6.775 -1.755 12.555 1.00 0.00 C ATOM 317 O ILE A 19 -7.956 -1.639 12.907 1.00 0.00 O ATOM 318 CB ILE A 19 -5.100 -3.333 11.406 1.00 0.00 C ATOM 319 CG1 ILE A 19 -4.703 -3.980 10.045 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.232 -4.409 12.521 1.00 0.00 C ATOM 321 CD1 ILE A 19 -3.393 -4.752 10.067 1.00 0.00 C ATOM 0 H ILE A 19 -5.394 -1.132 10.025 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.223 -3.194 11.022 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.303 -2.653 11.707 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.501 -4.654 9.732 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.634 -3.195 9.291 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.301 -4.971 12.596 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.440 -3.922 13.474 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.048 -5.089 12.276 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.198 -5.166 9.078 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.580 -4.081 10.346 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.460 -5.562 10.793 1.00 0.00 H new ATOM 333 N GLY A 20 -5.745 -1.250 13.258 1.00 0.00 N ATOM 334 CA GLY A 20 -5.930 -0.525 14.504 1.00 0.00 C ATOM 335 C GLY A 20 -5.254 -1.213 15.694 1.00 0.00 C ATOM 336 O GLY A 20 -4.108 -0.889 16.019 1.00 0.00 O ATOM 0 H GLY A 20 -4.770 -1.338 12.971 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.529 0.483 14.396 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.996 -0.424 14.706 1.00 0.00 H new ATOM 340 N PRO A 21 -5.928 -2.213 16.348 1.00 0.00 N ATOM 341 CA PRO A 21 -5.494 -2.764 17.641 1.00 0.00 C ATOM 342 C PRO A 21 -4.442 -3.895 17.509 1.00 0.00 C ATOM 343 O PRO A 21 -3.352 -3.782 18.078 1.00 0.00 O ATOM 344 CB PRO A 21 -6.826 -3.250 18.269 1.00 0.00 C ATOM 345 CG PRO A 21 -7.803 -3.431 17.126 1.00 0.00 C ATOM 346 CD PRO A 21 -7.139 -2.902 15.859 1.00 0.00 C ATOM 0 HA PRO A 21 -4.972 -2.030 18.255 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.681 -4.187 18.807 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.203 -2.524 18.989 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.065 -4.483 17.010 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.729 -2.892 17.326 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.888 -3.711 15.173 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.796 -2.219 15.320 1.00 0.00 H new ATOM 354 N SER A 22 -4.763 -4.978 16.763 1.00 0.00 N ATOM 355 CA SER A 22 -3.839 -6.115 16.555 1.00 0.00 C ATOM 356 C SER A 22 -2.865 -5.785 15.409 1.00 0.00 C ATOM 357 O SER A 22 -2.928 -6.363 14.313 1.00 0.00 O ATOM 358 CB SER A 22 -4.640 -7.408 16.270 1.00 0.00 C ATOM 359 OG SER A 22 -3.802 -8.556 16.223 1.00 0.00 O ATOM 0 H SER A 22 -5.662 -5.087 16.293 1.00 0.00 H new ATOM 0 HA SER A 22 -3.254 -6.284 17.459 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.397 -7.543 17.043 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.168 -7.306 15.322 1.00 0.00 H new ATOM 0 HG SER A 22 -4.346 -9.351 16.043 1.00 0.00 H new ATOM 365 N ALA A 23 -1.990 -4.807 15.675 1.00 0.00 N ATOM 366 CA ALA A 23 -1.000 -4.328 14.709 1.00 0.00 C ATOM 367 C ALA A 23 0.263 -3.854 15.443 1.00 0.00 C ATOM 368 O ALA A 23 0.472 -2.651 15.647 1.00 0.00 O ATOM 369 CB ALA A 23 -1.606 -3.215 13.833 1.00 0.00 C ATOM 0 H ALA A 23 -1.951 -4.324 16.573 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.713 -5.146 14.048 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.860 -2.867 13.119 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.470 -3.605 13.294 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.918 -2.384 14.465 1.00 0.00 H new ATOM 375 N LYS A 24 1.082 -4.827 15.875 1.00 0.00 N ATOM 376 CA LYS A 24 2.353 -4.563 16.572 1.00 0.00 C ATOM 377 C LYS A 24 3.403 -4.028 15.567 1.00 0.00 C ATOM 378 O LYS A 24 3.235 -4.220 14.360 1.00 0.00 O ATOM 379 CB LYS A 24 2.816 -5.846 17.311 1.00 0.00 C ATOM 380 CG LYS A 24 3.994 -5.638 18.278 1.00 0.00 C ATOM 381 CD LYS A 24 4.347 -6.912 19.066 1.00 0.00 C ATOM 382 CE LYS A 24 5.576 -6.716 19.966 1.00 0.00 C ATOM 383 NZ LYS A 24 5.917 -7.944 20.713 1.00 0.00 N ATOM 0 H LYS A 24 0.882 -5.819 15.751 1.00 0.00 H new ATOM 0 HA LYS A 24 2.220 -3.789 17.328 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.972 -6.253 17.869 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.099 -6.594 16.570 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.868 -5.310 17.715 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.748 -4.839 18.978 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.494 -7.207 19.678 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.536 -7.728 18.368 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.428 -6.415 19.356 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.385 -5.905 20.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.752 -7.768 21.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.115 -8.218 21.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.125 -8.712 20.043 1.00 0.00 H new ATOM 397 N GLU A 25 4.478 -3.389 16.082 1.00 0.00 N ATOM 398 CA GLU A 25 5.403 -2.520 15.302 1.00 0.00 C ATOM 399 C GLU A 25 5.930 -3.158 13.998 1.00 0.00 C ATOM 400 O GLU A 25 6.145 -2.455 12.997 1.00 0.00 O ATOM 401 CB GLU A 25 6.600 -2.086 16.188 1.00 0.00 C ATOM 402 CG GLU A 25 6.218 -1.546 17.585 1.00 0.00 C ATOM 403 CD GLU A 25 5.119 -0.476 17.524 1.00 0.00 C ATOM 404 OE1 GLU A 25 5.393 0.631 17.015 1.00 0.00 O ATOM 405 OE2 GLU A 25 3.977 -0.741 17.971 1.00 0.00 O ATOM 0 H GLU A 25 4.735 -3.461 17.066 1.00 0.00 H new ATOM 0 HA GLU A 25 4.810 -1.656 15.000 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.267 -2.939 16.315 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.163 -1.317 15.660 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.881 -2.373 18.210 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.103 -1.126 18.062 1.00 0.00 H new ATOM 412 N ASP A 26 6.122 -4.485 14.021 1.00 0.00 N ATOM 413 CA ASP A 26 6.713 -5.241 12.891 1.00 0.00 C ATOM 414 C ASP A 26 5.809 -6.413 12.475 1.00 0.00 C ATOM 415 O ASP A 26 6.289 -7.422 11.951 1.00 0.00 O ATOM 416 CB ASP A 26 8.129 -5.756 13.273 1.00 0.00 C ATOM 417 CG ASP A 26 9.086 -4.623 13.668 1.00 0.00 C ATOM 418 OD1 ASP A 26 9.629 -3.945 12.768 1.00 0.00 O ATOM 419 OD2 ASP A 26 9.287 -4.392 14.878 1.00 0.00 O ATOM 0 H ASP A 26 5.875 -5.070 14.819 1.00 0.00 H new ATOM 0 HA ASP A 26 6.800 -4.567 12.039 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.044 -6.459 14.101 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.551 -6.305 12.431 1.00 0.00 H new ATOM 424 N GLU A 27 4.496 -6.267 12.700 1.00 0.00 N ATOM 425 CA GLU A 27 3.491 -7.242 12.241 1.00 0.00 C ATOM 426 C GLU A 27 3.202 -7.041 10.751 1.00 0.00 C ATOM 427 O GLU A 27 2.953 -8.001 10.017 1.00 0.00 O ATOM 428 CB GLU A 27 2.187 -7.149 13.100 1.00 0.00 C ATOM 429 CG GLU A 27 2.237 -7.971 14.399 1.00 0.00 C ATOM 430 CD GLU A 27 2.472 -9.474 14.144 1.00 0.00 C ATOM 431 OE1 GLU A 27 1.489 -10.201 13.886 1.00 0.00 O ATOM 432 OE2 GLU A 27 3.638 -9.935 14.204 1.00 0.00 O ATOM 0 H GLU A 27 4.099 -5.473 13.203 1.00 0.00 H new ATOM 0 HA GLU A 27 3.892 -8.247 12.374 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.002 -6.104 13.350 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.343 -7.488 12.499 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.033 -7.586 15.037 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.301 -7.841 14.943 1.00 0.00 H new ATOM 439 N LEU A 28 3.226 -5.774 10.315 1.00 0.00 N ATOM 440 CA LEU A 28 3.078 -5.410 8.905 1.00 0.00 C ATOM 441 C LEU A 28 4.474 -5.222 8.296 1.00 0.00 C ATOM 442 O LEU A 28 5.211 -4.303 8.657 1.00 0.00 O ATOM 443 CB LEU A 28 2.179 -4.142 8.747 1.00 0.00 C ATOM 444 CG LEU A 28 0.631 -4.385 8.852 1.00 0.00 C ATOM 445 CD1 LEU A 28 0.127 -5.300 7.719 1.00 0.00 C ATOM 446 CD2 LEU A 28 0.231 -4.945 10.234 1.00 0.00 C ATOM 0 H LEU A 28 3.349 -4.973 10.934 1.00 0.00 H new ATOM 0 HA LEU A 28 2.571 -6.208 8.363 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.467 -3.418 9.510 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.392 -3.687 7.780 1.00 0.00 H new ATOM 0 HG LEU A 28 0.147 -3.415 8.739 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.948 -5.448 7.822 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.339 -4.837 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.633 -6.264 7.778 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.848 -5.099 10.266 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.738 -5.895 10.402 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.519 -4.237 11.011 1.00 0.00 H new ATOM 458 N ASP A 29 4.822 -6.150 7.410 1.00 0.00 N ATOM 459 CA ASP A 29 6.128 -6.211 6.724 1.00 0.00 C ATOM 460 C ASP A 29 5.915 -6.217 5.220 1.00 0.00 C ATOM 461 O ASP A 29 4.771 -6.205 4.739 1.00 0.00 O ATOM 462 CB ASP A 29 6.900 -7.504 7.128 1.00 0.00 C ATOM 463 CG ASP A 29 7.199 -7.596 8.628 1.00 0.00 C ATOM 464 OD1 ASP A 29 8.065 -6.840 9.115 1.00 0.00 O ATOM 465 OD2 ASP A 29 6.592 -8.443 9.318 1.00 0.00 O ATOM 0 H ASP A 29 4.193 -6.905 7.135 1.00 0.00 H new ATOM 0 HA ASP A 29 6.712 -5.338 7.018 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.316 -8.374 6.828 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.839 -7.544 6.576 1.00 0.00 H new ATOM 470 N ASP A 30 7.032 -6.294 4.491 1.00 0.00 N ATOM 471 CA ASP A 30 7.043 -6.329 3.030 1.00 0.00 C ATOM 472 C ASP A 30 6.389 -7.625 2.526 1.00 0.00 C ATOM 473 O ASP A 30 5.661 -7.620 1.548 1.00 0.00 O ATOM 474 CB ASP A 30 8.496 -6.205 2.496 1.00 0.00 C ATOM 475 CG ASP A 30 9.330 -5.139 3.236 1.00 0.00 C ATOM 476 OD1 ASP A 30 8.934 -3.962 3.254 1.00 0.00 O ATOM 477 OD2 ASP A 30 10.384 -5.485 3.820 1.00 0.00 O ATOM 0 H ASP A 30 7.963 -6.334 4.905 1.00 0.00 H new ATOM 0 HA ASP A 30 6.468 -5.483 2.655 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.992 -7.171 2.586 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.466 -5.960 1.434 1.00 0.00 H new ATOM 482 N GLN A 31 6.598 -8.726 3.260 1.00 0.00 N ATOM 483 CA GLN A 31 6.199 -10.074 2.809 1.00 0.00 C ATOM 484 C GLN A 31 4.985 -10.578 3.614 1.00 0.00 C ATOM 485 O GLN A 31 4.660 -11.773 3.595 1.00 0.00 O ATOM 486 CB GLN A 31 7.414 -11.029 2.926 1.00 0.00 C ATOM 487 CG GLN A 31 8.683 -10.514 2.211 1.00 0.00 C ATOM 488 CD GLN A 31 9.845 -11.505 2.211 1.00 0.00 C ATOM 489 OE1 GLN A 31 9.652 -12.722 2.176 1.00 0.00 O ATOM 490 NE2 GLN A 31 11.062 -10.988 2.281 1.00 0.00 N ATOM 0 H GLN A 31 7.045 -8.713 4.177 1.00 0.00 H new ATOM 0 HA GLN A 31 5.891 -10.039 1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.641 -11.186 3.981 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.143 -12.000 2.511 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.431 -10.267 1.180 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.007 -9.590 2.690 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.185 -9.976 2.308 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.876 -11.602 2.308 1.00 0.00 H new ATOM 499 N THR A 32 4.324 -9.637 4.322 1.00 0.00 N ATOM 500 CA THR A 32 3.065 -9.888 5.018 1.00 0.00 C ATOM 501 C THR A 32 1.913 -9.971 3.987 1.00 0.00 C ATOM 502 O THR A 32 1.722 -9.028 3.206 1.00 0.00 O ATOM 503 CB THR A 32 2.784 -8.755 6.055 1.00 0.00 C ATOM 504 OG1 THR A 32 3.770 -8.805 7.102 1.00 0.00 O ATOM 505 CG2 THR A 32 1.369 -8.827 6.666 1.00 0.00 C ATOM 0 H THR A 32 4.660 -8.679 4.421 1.00 0.00 H new ATOM 0 HA THR A 32 3.134 -10.834 5.554 1.00 0.00 H new ATOM 0 HB THR A 32 2.845 -7.809 5.517 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.363 -8.525 7.948 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.238 -8.012 7.378 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.626 -8.739 5.874 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.242 -9.781 7.179 1.00 0.00 H new ATOM 513 N PRO A 33 1.146 -11.103 3.966 1.00 0.00 N ATOM 514 CA PRO A 33 0.029 -11.298 3.026 1.00 0.00 C ATOM 515 C PRO A 33 -1.195 -10.423 3.394 1.00 0.00 C ATOM 516 O PRO A 33 -2.079 -10.840 4.140 1.00 0.00 O ATOM 517 CB PRO A 33 -0.254 -12.817 3.136 1.00 0.00 C ATOM 518 CG PRO A 33 0.146 -13.177 4.538 1.00 0.00 C ATOM 519 CD PRO A 33 1.322 -12.277 4.865 1.00 0.00 C ATOM 0 HA PRO A 33 0.260 -10.993 2.006 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.306 -13.038 2.955 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.321 -13.382 2.402 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.677 -13.017 5.235 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.424 -14.228 4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.316 -11.980 5.914 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.271 -12.780 4.682 1.00 0.00 H new ATOM 527 N LEU A 34 -1.199 -9.187 2.861 1.00 0.00 N ATOM 528 CA LEU A 34 -2.210 -8.158 3.164 1.00 0.00 C ATOM 529 C LEU A 34 -3.635 -8.621 2.797 1.00 0.00 C ATOM 530 O LEU A 34 -4.546 -8.606 3.633 1.00 0.00 O ATOM 531 CB LEU A 34 -1.900 -6.854 2.387 1.00 0.00 C ATOM 532 CG LEU A 34 -0.468 -6.257 2.539 1.00 0.00 C ATOM 533 CD1 LEU A 34 -0.352 -4.941 1.748 1.00 0.00 C ATOM 534 CD2 LEU A 34 -0.072 -6.062 4.021 1.00 0.00 C ATOM 0 H LEU A 34 -0.490 -8.871 2.199 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.167 -7.980 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.077 -7.042 1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.617 -6.095 2.700 1.00 0.00 H new ATOM 0 HG LEU A 34 0.238 -6.975 2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.653 -4.535 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.548 -5.132 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.079 -4.223 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.933 -5.644 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.776 -5.380 4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.094 -7.024 4.533 1.00 0.00 H new ATOM 546 N LEU A 35 -3.801 -9.016 1.528 1.00 0.00 N ATOM 547 CA LEU A 35 -5.107 -9.408 0.973 1.00 0.00 C ATOM 548 C LEU A 35 -5.645 -10.667 1.677 1.00 0.00 C ATOM 549 O LEU A 35 -6.853 -10.802 1.906 1.00 0.00 O ATOM 550 CB LEU A 35 -4.983 -9.659 -0.546 1.00 0.00 C ATOM 551 CG LEU A 35 -6.325 -9.722 -1.328 1.00 0.00 C ATOM 552 CD1 LEU A 35 -7.052 -8.359 -1.276 1.00 0.00 C ATOM 553 CD2 LEU A 35 -6.097 -10.197 -2.773 1.00 0.00 C ATOM 0 H LEU A 35 -3.036 -9.073 0.856 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.812 -8.594 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.368 -8.869 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.450 -10.597 -0.699 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.972 -10.455 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.989 -8.425 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.261 -8.097 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.420 -7.592 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.051 -10.233 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.427 -9.504 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.651 -11.191 -2.763 1.00 0.00 H new ATOM 565 N GLU A 36 -4.705 -11.564 2.035 1.00 0.00 N ATOM 566 CA GLU A 36 -4.998 -12.808 2.765 1.00 0.00 C ATOM 567 C GLU A 36 -5.524 -12.460 4.177 1.00 0.00 C ATOM 568 O GLU A 36 -6.477 -13.070 4.658 1.00 0.00 O ATOM 569 CB GLU A 36 -3.710 -13.681 2.821 1.00 0.00 C ATOM 570 CG GLU A 36 -3.884 -15.176 3.176 1.00 0.00 C ATOM 571 CD GLU A 36 -4.282 -15.441 4.636 1.00 0.00 C ATOM 572 OE1 GLU A 36 -3.418 -15.327 5.529 1.00 0.00 O ATOM 573 OE2 GLU A 36 -5.462 -15.767 4.893 1.00 0.00 O ATOM 0 H GLU A 36 -3.715 -11.442 1.823 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.771 -13.382 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.218 -13.619 1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.033 -13.237 3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.643 -15.606 2.522 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.950 -15.697 2.967 1.00 0.00 H new ATOM 580 N TRP A 37 -4.928 -11.423 4.796 1.00 0.00 N ATOM 581 CA TRP A 37 -5.337 -10.932 6.131 1.00 0.00 C ATOM 582 C TRP A 37 -6.745 -10.298 6.090 1.00 0.00 C ATOM 583 O TRP A 37 -7.379 -10.125 7.141 1.00 0.00 O ATOM 584 CB TRP A 37 -4.306 -9.884 6.659 1.00 0.00 C ATOM 585 CG TRP A 37 -3.077 -10.455 7.332 1.00 0.00 C ATOM 586 CD1 TRP A 37 -2.455 -11.645 7.071 1.00 0.00 C ATOM 587 CD2 TRP A 37 -2.325 -9.838 8.391 1.00 0.00 C ATOM 588 NE1 TRP A 37 -1.375 -11.801 7.899 1.00 0.00 N ATOM 589 CE2 TRP A 37 -1.275 -10.711 8.720 1.00 0.00 C ATOM 590 CE3 TRP A 37 -2.440 -8.627 9.085 1.00 0.00 C ATOM 591 CZ2 TRP A 37 -0.340 -10.413 9.709 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -1.522 -8.340 10.082 1.00 0.00 C ATOM 593 CH2 TRP A 37 -0.479 -9.228 10.384 1.00 0.00 C ATOM 0 H TRP A 37 -4.152 -10.902 4.388 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.365 -11.788 6.805 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.985 -9.264 5.822 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.813 -9.227 7.366 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.769 -12.357 6.322 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.745 -12.603 7.903 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.230 -7.930 8.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.468 -11.093 9.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.611 -7.417 10.636 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.226 -8.974 11.161 1.00 0.00 H new ATOM 604 N GLY A 38 -7.208 -9.937 4.875 1.00 0.00 N ATOM 605 CA GLY A 38 -8.517 -9.308 4.684 1.00 0.00 C ATOM 606 C GLY A 38 -8.565 -7.892 5.233 1.00 0.00 C ATOM 607 O GLY A 38 -9.627 -7.388 5.598 1.00 0.00 O ATOM 0 H GLY A 38 -6.685 -10.075 4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.757 -9.291 3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.282 -9.911 5.174 1.00 0.00 H new ATOM 611 N ILE A 39 -7.385 -7.266 5.303 1.00 0.00 N ATOM 612 CA ILE A 39 -7.214 -5.878 5.763 1.00 0.00 C ATOM 613 C ILE A 39 -7.386 -4.904 4.590 1.00 0.00 C ATOM 614 O ILE A 39 -7.464 -3.697 4.796 1.00 0.00 O ATOM 615 CB ILE A 39 -5.820 -5.690 6.461 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.645 -5.985 5.472 1.00 0.00 C ATOM 617 CG2 ILE A 39 -5.738 -6.584 7.720 1.00 0.00 C ATOM 618 CD1 ILE A 39 -3.267 -6.062 6.106 1.00 0.00 C ATOM 0 H ILE A 39 -6.507 -7.713 5.038 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.985 -5.658 6.502 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.722 -4.649 6.769 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.847 -6.929 4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.632 -5.209 4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.769 -6.449 8.200 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.529 -6.306 8.416 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.858 -7.629 7.433 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.524 -6.270 5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.035 -5.112 6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.253 -6.859 6.849 1.00 0.00 H new ATOM 630 N LEU A 40 -7.414 -5.454 3.355 1.00 0.00 N ATOM 631 CA LEU A 40 -7.625 -4.683 2.119 1.00 0.00 C ATOM 632 C LEU A 40 -9.026 -4.997 1.584 1.00 0.00 C ATOM 633 O LEU A 40 -9.272 -6.082 1.046 1.00 0.00 O ATOM 634 CB LEU A 40 -6.558 -5.029 1.039 1.00 0.00 C ATOM 635 CG LEU A 40 -5.064 -4.837 1.441 1.00 0.00 C ATOM 636 CD1 LEU A 40 -4.139 -5.049 0.228 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.823 -3.463 2.102 1.00 0.00 C ATOM 0 H LEU A 40 -7.289 -6.453 3.192 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.529 -3.621 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.699 -6.068 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.754 -4.417 0.159 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.821 -5.596 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.102 -4.910 0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.271 -6.060 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.388 -4.328 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.770 -3.367 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.095 -2.671 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.433 -3.380 3.001 1.00 0.00 H new ATOM 649 N ASN A 41 -9.950 -4.056 1.798 1.00 0.00 N ATOM 650 CA ASN A 41 -11.350 -4.150 1.345 1.00 0.00 C ATOM 651 C ASN A 41 -11.684 -2.921 0.495 1.00 0.00 C ATOM 652 O ASN A 41 -11.014 -1.891 0.611 1.00 0.00 O ATOM 653 CB ASN A 41 -12.311 -4.244 2.560 1.00 0.00 C ATOM 654 CG ASN A 41 -12.003 -5.418 3.499 1.00 0.00 C ATOM 655 OD1 ASN A 41 -12.516 -6.524 3.325 1.00 0.00 O ATOM 656 ND2 ASN A 41 -11.174 -5.176 4.508 1.00 0.00 N ATOM 0 H ASN A 41 -9.748 -3.191 2.299 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.476 -5.052 0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.259 -3.314 3.126 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -13.334 -4.339 2.197 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.944 -5.918 5.169 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.767 -4.248 4.622 1.00 0.00 H new ATOM 663 N SER A 42 -12.745 -3.037 -0.316 1.00 0.00 N ATOM 664 CA SER A 42 -13.152 -2.028 -1.320 1.00 0.00 C ATOM 665 C SER A 42 -13.416 -0.624 -0.717 1.00 0.00 C ATOM 666 O SER A 42 -13.280 0.395 -1.406 1.00 0.00 O ATOM 667 CB SER A 42 -14.394 -2.577 -2.067 1.00 0.00 C ATOM 668 OG SER A 42 -15.052 -1.635 -2.899 1.00 0.00 O ATOM 0 H SER A 42 -13.361 -3.850 -0.297 1.00 0.00 H new ATOM 0 HA SER A 42 -12.326 -1.873 -2.014 1.00 0.00 H new ATOM 0 HB2 SER A 42 -14.088 -3.427 -2.676 1.00 0.00 H new ATOM 0 HB3 SER A 42 -15.106 -2.952 -1.332 1.00 0.00 H new ATOM 0 HG SER A 42 -15.820 -2.062 -3.332 1.00 0.00 H new ATOM 673 N MET A 43 -13.765 -0.571 0.575 1.00 0.00 N ATOM 674 CA MET A 43 -14.022 0.697 1.271 1.00 0.00 C ATOM 675 C MET A 43 -12.712 1.300 1.826 1.00 0.00 C ATOM 676 O MET A 43 -12.479 2.499 1.690 1.00 0.00 O ATOM 677 CB MET A 43 -15.078 0.498 2.391 1.00 0.00 C ATOM 678 CG MET A 43 -15.413 1.773 3.193 1.00 0.00 C ATOM 679 SD MET A 43 -15.864 3.190 2.152 1.00 0.00 S ATOM 680 CE MET A 43 -17.351 2.616 1.324 1.00 0.00 C ATOM 0 H MET A 43 -13.876 -1.397 1.163 1.00 0.00 H new ATOM 0 HA MET A 43 -14.427 1.409 0.552 1.00 0.00 H new ATOM 0 HB2 MET A 43 -15.995 0.115 1.943 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.717 -0.265 3.081 1.00 0.00 H new ATOM 0 HG2 MET A 43 -16.236 1.557 3.875 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.553 2.043 3.806 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.741 3.409 0.686 1.00 0.00 H new ATOM 0 HE2 MET A 43 -17.114 1.744 0.715 1.00 0.00 H new ATOM 0 HE3 MET A 43 -18.101 2.346 2.068 1.00 0.00 H new ATOM 690 N ASN A 44 -11.846 0.468 2.440 1.00 0.00 N ATOM 691 CA ASN A 44 -10.609 0.965 3.107 1.00 0.00 C ATOM 692 C ASN A 44 -9.414 1.066 2.137 1.00 0.00 C ATOM 693 O ASN A 44 -8.365 1.601 2.501 1.00 0.00 O ATOM 694 CB ASN A 44 -10.219 0.123 4.349 1.00 0.00 C ATOM 695 CG ASN A 44 -9.763 -1.291 4.015 1.00 0.00 C ATOM 696 OD1 ASN A 44 -10.541 -2.230 4.071 1.00 0.00 O ATOM 697 ND2 ASN A 44 -8.503 -1.447 3.634 1.00 0.00 N ATOM 0 H ASN A 44 -11.972 -0.543 2.492 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.853 1.971 3.448 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.421 0.635 4.887 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -11.074 0.069 5.023 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -8.159 -2.372 3.377 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.878 -0.642 3.598 1.00 0.00 H new ATOM 704 N ILE A 45 -9.538 0.488 0.937 1.00 0.00 N ATOM 705 CA ILE A 45 -8.455 0.514 -0.065 1.00 0.00 C ATOM 706 C ILE A 45 -8.236 1.948 -0.601 1.00 0.00 C ATOM 707 O ILE A 45 -7.105 2.335 -0.908 1.00 0.00 O ATOM 708 CB ILE A 45 -8.753 -0.473 -1.246 1.00 0.00 C ATOM 709 CG1 ILE A 45 -7.513 -0.605 -2.176 1.00 0.00 C ATOM 710 CG2 ILE A 45 -10.017 -0.045 -2.034 1.00 0.00 C ATOM 711 CD1 ILE A 45 -7.689 -1.574 -3.318 1.00 0.00 C ATOM 0 H ILE A 45 -10.377 -0.005 0.631 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.540 0.186 0.428 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.959 -1.456 -0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.274 0.377 -2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.658 -0.919 -1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.196 -0.750 -2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.877 -0.036 -1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.868 0.953 -2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.777 -1.603 -3.914 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.896 -2.568 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.521 -1.252 -3.944 1.00 0.00 H new ATOM 723 N VAL A 46 -9.335 2.733 -0.675 1.00 0.00 N ATOM 724 CA VAL A 46 -9.289 4.138 -1.117 1.00 0.00 C ATOM 725 C VAL A 46 -8.507 5.001 -0.105 1.00 0.00 C ATOM 726 O VAL A 46 -7.953 6.038 -0.467 1.00 0.00 O ATOM 727 CB VAL A 46 -10.726 4.743 -1.358 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.524 3.896 -2.384 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.515 4.924 -0.035 1.00 0.00 C ATOM 0 H VAL A 46 -10.271 2.409 -0.431 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.770 4.151 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.589 5.739 -1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.510 4.336 -2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.990 3.877 -3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.633 2.878 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.498 5.343 -0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.633 3.957 0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.970 5.600 0.624 1.00 0.00 H new ATOM 739 N LYS A 47 -8.463 4.533 1.157 1.00 0.00 N ATOM 740 CA LYS A 47 -7.695 5.166 2.235 1.00 0.00 C ATOM 741 C LYS A 47 -6.198 5.058 1.928 1.00 0.00 C ATOM 742 O LYS A 47 -5.442 6.006 2.154 1.00 0.00 O ATOM 743 CB LYS A 47 -8.010 4.482 3.588 1.00 0.00 C ATOM 744 CG LYS A 47 -9.513 4.380 3.937 1.00 0.00 C ATOM 745 CD LYS A 47 -10.176 5.743 4.234 1.00 0.00 C ATOM 746 CE LYS A 47 -9.636 6.390 5.523 1.00 0.00 C ATOM 747 NZ LYS A 47 -10.356 7.636 5.876 1.00 0.00 N ATOM 0 H LYS A 47 -8.966 3.697 1.455 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.974 6.217 2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.586 3.478 3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.505 5.032 4.382 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.038 3.904 3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.632 3.731 4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.007 6.417 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.254 5.608 4.322 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.721 5.680 6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.576 6.609 5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.956 8.033 6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.255 8.326 5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.364 7.425 6.022 1.00 0.00 H new ATOM 761 N LEU A 48 -5.780 3.880 1.419 1.00 0.00 N ATOM 762 CA LEU A 48 -4.416 3.683 0.926 1.00 0.00 C ATOM 763 C LEU A 48 -4.160 4.591 -0.283 1.00 0.00 C ATOM 764 O LEU A 48 -3.175 5.309 -0.293 1.00 0.00 O ATOM 765 CB LEU A 48 -4.137 2.193 0.568 1.00 0.00 C ATOM 766 CG LEU A 48 -3.986 1.211 1.769 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.680 -0.219 1.280 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.911 1.698 2.771 1.00 0.00 C ATOM 0 H LEU A 48 -6.375 3.055 1.342 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.728 3.953 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.948 1.836 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.225 2.149 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.940 1.190 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.580 -0.883 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.494 -0.568 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.750 -0.218 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.834 0.989 3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.949 1.773 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.193 2.676 3.160 1.00 0.00 H new ATOM 780 N MET A 49 -5.082 4.591 -1.272 1.00 0.00 N ATOM 781 CA MET A 49 -4.919 5.374 -2.524 1.00 0.00 C ATOM 782 C MET A 49 -4.648 6.864 -2.236 1.00 0.00 C ATOM 783 O MET A 49 -3.749 7.459 -2.831 1.00 0.00 O ATOM 784 CB MET A 49 -6.171 5.259 -3.424 1.00 0.00 C ATOM 785 CG MET A 49 -6.519 3.843 -3.868 1.00 0.00 C ATOM 786 SD MET A 49 -8.029 3.808 -4.852 1.00 0.00 S ATOM 787 CE MET A 49 -8.353 2.054 -4.915 1.00 0.00 C ATOM 0 H MET A 49 -5.950 4.057 -1.230 1.00 0.00 H new ATOM 0 HA MET A 49 -4.058 4.951 -3.042 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.024 5.675 -2.888 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.020 5.875 -4.311 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.695 3.431 -4.450 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.640 3.206 -2.992 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.424 1.734 -5.955 1.00 0.00 H new ATOM 0 HE2 MET A 49 -7.542 1.516 -4.425 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.292 1.839 -4.404 1.00 0.00 H new ATOM 797 N VAL A 50 -5.434 7.436 -1.305 1.00 0.00 N ATOM 798 CA VAL A 50 -5.314 8.864 -0.920 1.00 0.00 C ATOM 799 C VAL A 50 -4.033 9.113 -0.087 1.00 0.00 C ATOM 800 O VAL A 50 -3.408 10.175 -0.213 1.00 0.00 O ATOM 801 CB VAL A 50 -6.584 9.408 -0.146 1.00 0.00 C ATOM 802 CG1 VAL A 50 -7.870 9.234 -0.995 1.00 0.00 C ATOM 803 CG2 VAL A 50 -6.739 8.764 1.257 1.00 0.00 C ATOM 0 H VAL A 50 -6.164 6.932 -0.801 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.247 9.422 -1.854 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.428 10.475 0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.727 9.616 -0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.767 9.787 -1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.021 8.177 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.624 9.169 1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.845 7.684 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.857 8.985 1.858 1.00 0.00 H new ATOM 813 N TYR A 51 -3.651 8.121 0.746 1.00 0.00 N ATOM 814 CA TYR A 51 -2.431 8.176 1.576 1.00 0.00 C ATOM 815 C TYR A 51 -1.191 8.297 0.679 1.00 0.00 C ATOM 816 O TYR A 51 -0.395 9.217 0.812 1.00 0.00 O ATOM 817 CB TYR A 51 -2.312 6.900 2.446 1.00 0.00 C ATOM 818 CG TYR A 51 -1.055 6.864 3.332 1.00 0.00 C ATOM 819 CD1 TYR A 51 -0.958 7.660 4.481 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.043 6.047 3.014 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.175 7.641 5.276 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.173 6.030 3.808 1.00 0.00 C ATOM 823 CZ TYR A 51 1.235 6.825 4.938 1.00 0.00 C ATOM 824 OH TYR A 51 2.359 6.804 5.732 1.00 0.00 O ATOM 0 H TYR A 51 -4.182 7.258 0.861 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.496 9.047 2.227 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.194 6.822 3.081 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.310 6.027 1.794 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.784 8.301 4.752 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.003 5.422 2.134 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.229 8.263 6.158 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.008 5.396 3.547 1.00 0.00 H new ATOM 0 HH TYR A 51 2.108 6.996 6.660 1.00 0.00 H new ATOM 834 N ILE A 52 -1.092 7.347 -0.246 1.00 0.00 N ATOM 835 CA ILE A 52 0.021 7.194 -1.190 1.00 0.00 C ATOM 836 C ILE A 52 0.068 8.368 -2.184 1.00 0.00 C ATOM 837 O ILE A 52 1.141 8.779 -2.627 1.00 0.00 O ATOM 838 CB ILE A 52 -0.157 5.822 -1.932 1.00 0.00 C ATOM 839 CG1 ILE A 52 -0.188 4.656 -0.886 1.00 0.00 C ATOM 840 CG2 ILE A 52 0.923 5.580 -3.014 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.887 3.404 -1.362 1.00 0.00 C ATOM 0 H ILE A 52 -1.810 6.633 -0.367 1.00 0.00 H new ATOM 0 HA ILE A 52 0.970 7.202 -0.654 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.109 5.854 -2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.836 4.403 -0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.681 5.010 0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.749 4.616 -3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.873 6.371 -3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.909 5.582 -2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.860 2.651 -0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.923 3.637 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.382 3.020 -2.248 1.00 0.00 H new ATOM 853 N ARG A 53 -1.117 8.902 -2.506 1.00 0.00 N ATOM 854 CA ARG A 53 -1.260 10.082 -3.375 1.00 0.00 C ATOM 855 C ARG A 53 -0.690 11.348 -2.701 1.00 0.00 C ATOM 856 O ARG A 53 -0.226 12.268 -3.383 1.00 0.00 O ATOM 857 CB ARG A 53 -2.747 10.278 -3.751 1.00 0.00 C ATOM 858 CG ARG A 53 -2.998 11.332 -4.841 1.00 0.00 C ATOM 859 CD ARG A 53 -4.480 11.472 -5.193 1.00 0.00 C ATOM 860 NE ARG A 53 -4.677 12.450 -6.278 1.00 0.00 N ATOM 861 CZ ARG A 53 -5.744 12.509 -7.089 1.00 0.00 C ATOM 862 NH1 ARG A 53 -6.749 11.648 -6.960 1.00 0.00 N ATOM 863 NH2 ARG A 53 -5.793 13.432 -8.032 1.00 0.00 N ATOM 0 H ARG A 53 -2.006 8.529 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.685 9.913 -4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.152 9.323 -4.087 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.300 10.562 -2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.616 12.296 -4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.439 11.063 -5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.878 10.503 -5.495 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.039 11.785 -4.311 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.940 13.140 -6.425 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.716 10.930 -6.237 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.553 11.706 -7.584 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.023 14.093 -8.139 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.600 13.484 -8.653 1.00 0.00 H new ATOM 877 N ASP A 54 -0.729 11.386 -1.360 1.00 0.00 N ATOM 878 CA ASP A 54 -0.228 12.533 -0.581 1.00 0.00 C ATOM 879 C ASP A 54 1.280 12.366 -0.284 1.00 0.00 C ATOM 880 O ASP A 54 2.076 13.283 -0.515 1.00 0.00 O ATOM 881 CB ASP A 54 -1.033 12.666 0.734 1.00 0.00 C ATOM 882 CG ASP A 54 -0.706 13.949 1.518 1.00 0.00 C ATOM 883 OD1 ASP A 54 -1.364 14.987 1.280 1.00 0.00 O ATOM 884 OD2 ASP A 54 0.208 13.934 2.369 1.00 0.00 O ATOM 0 H ASP A 54 -1.105 10.630 -0.788 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.359 13.444 -1.165 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.098 12.650 0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.831 11.801 1.365 1.00 0.00 H new ATOM 889 N GLU A 55 1.639 11.176 0.228 1.00 0.00 N ATOM 890 CA GLU A 55 3.014 10.827 0.635 1.00 0.00 C ATOM 891 C GLU A 55 3.925 10.605 -0.588 1.00 0.00 C ATOM 892 O GLU A 55 4.841 11.401 -0.839 1.00 0.00 O ATOM 893 CB GLU A 55 2.992 9.562 1.543 1.00 0.00 C ATOM 894 CG GLU A 55 2.274 9.746 2.892 1.00 0.00 C ATOM 895 CD GLU A 55 2.984 10.749 3.816 1.00 0.00 C ATOM 896 OE1 GLU A 55 4.035 10.393 4.397 1.00 0.00 O ATOM 897 OE2 GLU A 55 2.513 11.896 3.959 1.00 0.00 O ATOM 0 H GLU A 55 0.973 10.417 0.373 1.00 0.00 H new ATOM 0 HA GLU A 55 3.426 11.663 1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.510 8.750 0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.019 9.252 1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.254 10.085 2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.205 8.782 3.396 1.00 0.00 H new ATOM 904 N MET A 56 3.663 9.524 -1.353 1.00 0.00 N ATOM 905 CA MET A 56 4.520 9.142 -2.496 1.00 0.00 C ATOM 906 C MET A 56 4.206 10.015 -3.734 1.00 0.00 C ATOM 907 O MET A 56 5.068 10.226 -4.582 1.00 0.00 O ATOM 908 CB MET A 56 4.357 7.648 -2.873 1.00 0.00 C ATOM 909 CG MET A 56 4.614 6.680 -1.751 1.00 0.00 C ATOM 910 SD MET A 56 3.255 6.677 -0.582 1.00 0.00 S ATOM 911 CE MET A 56 4.111 6.086 0.833 1.00 0.00 C ATOM 0 H MET A 56 2.869 8.903 -1.201 1.00 0.00 H new ATOM 0 HA MET A 56 5.551 9.306 -2.182 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.344 7.490 -3.244 1.00 0.00 H new ATOM 0 HB3 MET A 56 5.037 7.419 -3.694 1.00 0.00 H new ATOM 0 HG2 MET A 56 4.753 5.677 -2.155 1.00 0.00 H new ATOM 0 HG3 MET A 56 5.538 6.948 -1.239 1.00 0.00 H new ATOM 0 HE1 MET A 56 3.533 6.313 1.729 1.00 0.00 H new ATOM 0 HE2 MET A 56 4.247 5.008 0.752 1.00 0.00 H new ATOM 0 HE3 MET A 56 5.085 6.571 0.898 1.00 0.00 H new ATOM 921 N GLY A 57 2.963 10.521 -3.804 1.00 0.00 N ATOM 922 CA GLY A 57 2.487 11.302 -4.950 1.00 0.00 C ATOM 923 C GLY A 57 2.016 10.438 -6.118 1.00 0.00 C ATOM 924 O GLY A 57 2.191 10.813 -7.285 1.00 0.00 O ATOM 0 H GLY A 57 2.266 10.399 -3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.667 11.943 -4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.288 11.957 -5.292 1.00 0.00 H new ATOM 928 N VAL A 58 1.386 9.280 -5.809 1.00 0.00 N ATOM 929 CA VAL A 58 0.887 8.326 -6.835 1.00 0.00 C ATOM 930 C VAL A 58 -0.610 8.059 -6.628 1.00 0.00 C ATOM 931 O VAL A 58 -1.058 7.743 -5.516 1.00 0.00 O ATOM 932 CB VAL A 58 1.727 6.951 -6.877 1.00 0.00 C ATOM 933 CG1 VAL A 58 2.869 6.960 -5.855 1.00 0.00 C ATOM 934 CG2 VAL A 58 0.867 5.657 -6.738 1.00 0.00 C ATOM 0 H VAL A 58 1.209 8.980 -4.850 1.00 0.00 H new ATOM 0 HA VAL A 58 1.032 8.796 -7.808 1.00 0.00 H new ATOM 0 HB VAL A 58 2.148 6.913 -7.882 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.414 6.018 -5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.547 7.785 -6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.459 7.083 -4.853 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.516 4.783 -6.777 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.337 5.673 -5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.146 5.610 -7.554 1.00 0.00 H new ATOM 944 N SER A 59 -1.377 8.219 -7.705 1.00 0.00 N ATOM 945 CA SER A 59 -2.762 7.753 -7.779 1.00 0.00 C ATOM 946 C SER A 59 -2.752 6.341 -8.393 1.00 0.00 C ATOM 947 O SER A 59 -2.193 6.146 -9.479 1.00 0.00 O ATOM 948 CB SER A 59 -3.594 8.728 -8.639 1.00 0.00 C ATOM 949 OG SER A 59 -3.526 10.047 -8.118 1.00 0.00 O ATOM 0 H SER A 59 -1.054 8.678 -8.556 1.00 0.00 H new ATOM 0 HA SER A 59 -3.215 7.717 -6.788 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.227 8.719 -9.665 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.632 8.398 -8.669 1.00 0.00 H new ATOM 0 HG SER A 59 -4.059 10.648 -8.679 1.00 0.00 H new ATOM 955 N ILE A 60 -3.306 5.355 -7.673 1.00 0.00 N ATOM 956 CA ILE A 60 -3.390 3.972 -8.160 1.00 0.00 C ATOM 957 C ILE A 60 -4.696 3.807 -8.976 1.00 0.00 C ATOM 958 O ILE A 60 -5.789 3.996 -8.419 1.00 0.00 O ATOM 959 CB ILE A 60 -3.353 2.934 -6.971 1.00 0.00 C ATOM 960 CG1 ILE A 60 -2.129 3.208 -6.030 1.00 0.00 C ATOM 961 CG2 ILE A 60 -3.318 1.476 -7.509 1.00 0.00 C ATOM 962 CD1 ILE A 60 -2.060 2.314 -4.793 1.00 0.00 C ATOM 0 H ILE A 60 -3.705 5.492 -6.744 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.525 3.771 -8.792 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.265 3.058 -6.387 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.211 3.081 -6.604 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.162 4.249 -5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.293 0.779 -6.671 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.208 1.289 -8.110 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.429 1.336 -8.124 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.182 2.576 -4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.957 2.456 -4.191 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.992 1.271 -5.101 1.00 0.00 H new ATOM 974 N PRO A 61 -4.612 3.482 -10.310 1.00 0.00 N ATOM 975 CA PRO A 61 -5.818 3.233 -11.141 1.00 0.00 C ATOM 976 C PRO A 61 -6.468 1.872 -10.790 1.00 0.00 C ATOM 977 O PRO A 61 -5.757 0.926 -10.445 1.00 0.00 O ATOM 978 CB PRO A 61 -5.247 3.249 -12.581 1.00 0.00 C ATOM 979 CG PRO A 61 -3.832 2.760 -12.424 1.00 0.00 C ATOM 980 CD PRO A 61 -3.355 3.332 -11.102 1.00 0.00 C ATOM 0 HA PRO A 61 -6.612 3.965 -10.991 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.821 2.601 -13.244 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.277 4.251 -13.010 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.791 1.671 -12.419 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.205 3.099 -13.248 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.648 2.665 -10.609 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.850 4.288 -11.238 1.00 0.00 H new ATOM 988 N SER A 62 -7.810 1.788 -10.915 1.00 0.00 N ATOM 989 CA SER A 62 -8.614 0.599 -10.522 1.00 0.00 C ATOM 990 C SER A 62 -8.196 -0.683 -11.284 1.00 0.00 C ATOM 991 O SER A 62 -8.335 -1.795 -10.757 1.00 0.00 O ATOM 992 CB SER A 62 -10.118 0.904 -10.719 1.00 0.00 C ATOM 993 OG SER A 62 -10.394 1.340 -12.041 1.00 0.00 O ATOM 0 H SER A 62 -8.375 2.547 -11.294 1.00 0.00 H new ATOM 0 HA SER A 62 -8.421 0.398 -9.468 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.703 0.010 -10.501 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.430 1.671 -10.010 1.00 0.00 H new ATOM 0 HG SER A 62 -11.353 1.522 -12.132 1.00 0.00 H new ATOM 999 N THR A 63 -7.655 -0.503 -12.510 1.00 0.00 N ATOM 1000 CA THR A 63 -7.126 -1.604 -13.343 1.00 0.00 C ATOM 1001 C THR A 63 -5.953 -2.324 -12.636 1.00 0.00 C ATOM 1002 O THR A 63 -5.752 -3.529 -12.813 1.00 0.00 O ATOM 1003 CB THR A 63 -6.647 -1.076 -14.754 1.00 0.00 C ATOM 1004 OG1 THR A 63 -6.173 -2.155 -15.579 1.00 0.00 O ATOM 1005 CG2 THR A 63 -5.535 -0.012 -14.643 1.00 0.00 C ATOM 0 H THR A 63 -7.573 0.414 -12.950 1.00 0.00 H new ATOM 0 HA THR A 63 -7.940 -2.314 -13.491 1.00 0.00 H new ATOM 0 HB THR A 63 -7.522 -0.614 -15.212 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.884 -1.801 -16.446 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.244 0.316 -15.641 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.904 0.842 -14.074 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.671 -0.440 -14.135 1.00 0.00 H new ATOM 1013 N HIS A 64 -5.196 -1.556 -11.829 1.00 0.00 N ATOM 1014 CA HIS A 64 -3.984 -2.036 -11.150 1.00 0.00 C ATOM 1015 C HIS A 64 -4.329 -2.715 -9.810 1.00 0.00 C ATOM 1016 O HIS A 64 -3.458 -3.352 -9.198 1.00 0.00 O ATOM 1017 CB HIS A 64 -2.964 -0.867 -10.955 1.00 0.00 C ATOM 1018 CG HIS A 64 -1.584 -1.198 -11.463 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -1.018 -0.604 -12.567 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -0.694 -2.123 -11.052 1.00 0.00 C ATOM 1021 CE1 HIS A 64 0.165 -1.139 -12.803 1.00 0.00 C ATOM 1022 NE2 HIS A 64 0.386 -2.065 -11.895 1.00 0.00 N ATOM 0 H HIS A 64 -5.412 -0.579 -11.631 1.00 0.00 H new ATOM 0 HA HIS A 64 -3.513 -2.789 -11.782 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.332 0.019 -11.472 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.905 -0.617 -9.896 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -1.448 0.138 -13.120 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.810 -2.790 -10.210 1.00 0.00 H new ATOM 0 HE1 HIS A 64 0.836 -0.864 -13.603 1.00 0.00 H new ATOM 1031 N ILE A 65 -5.587 -2.549 -9.356 1.00 0.00 N ATOM 1032 CA ILE A 65 -6.096 -3.249 -8.171 1.00 0.00 C ATOM 1033 C ILE A 65 -6.404 -4.704 -8.565 1.00 0.00 C ATOM 1034 O ILE A 65 -7.390 -4.984 -9.252 1.00 0.00 O ATOM 1035 CB ILE A 65 -7.369 -2.575 -7.507 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -7.039 -1.204 -6.809 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -8.002 -3.534 -6.463 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -6.488 -0.114 -7.676 1.00 0.00 C ATOM 0 H ILE A 65 -6.268 -1.932 -9.798 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.320 -3.197 -7.408 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.071 -2.376 -8.317 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.951 -0.835 -6.340 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.323 -1.395 -6.009 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.875 -3.059 -6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.304 -4.459 -6.955 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.272 -3.759 -5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.305 0.774 -7.071 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.552 -0.445 -8.126 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.205 0.123 -8.462 1.00 0.00 H new ATOM 1050 N THR A 66 -5.505 -5.592 -8.162 1.00 0.00 N ATOM 1051 CA THR A 66 -5.630 -7.037 -8.342 1.00 0.00 C ATOM 1052 C THR A 66 -4.795 -7.733 -7.264 1.00 0.00 C ATOM 1053 O THR A 66 -3.829 -7.151 -6.749 1.00 0.00 O ATOM 1054 CB THR A 66 -5.199 -7.499 -9.787 1.00 0.00 C ATOM 1055 OG1 THR A 66 -5.019 -8.925 -9.848 1.00 0.00 O ATOM 1056 CG2 THR A 66 -3.916 -6.811 -10.265 1.00 0.00 C ATOM 0 H THR A 66 -4.644 -5.322 -7.687 1.00 0.00 H new ATOM 0 HA THR A 66 -6.678 -7.317 -8.239 1.00 0.00 H new ATOM 0 HB THR A 66 -6.012 -7.205 -10.450 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.378 -9.264 -10.695 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.664 -7.165 -11.265 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.069 -5.732 -10.290 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.101 -7.046 -9.581 1.00 0.00 H new ATOM 1064 N GLY A 67 -5.155 -8.989 -6.958 1.00 0.00 N ATOM 1065 CA GLY A 67 -4.498 -9.765 -5.909 1.00 0.00 C ATOM 1066 C GLY A 67 -3.006 -9.987 -6.138 1.00 0.00 C ATOM 1067 O GLY A 67 -2.268 -10.246 -5.192 1.00 0.00 O ATOM 0 H GLY A 67 -5.907 -9.489 -7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.636 -9.256 -4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.990 -10.734 -5.827 1.00 0.00 H new ATOM 1071 N LYS A 68 -2.571 -9.866 -7.406 1.00 0.00 N ATOM 1072 CA LYS A 68 -1.156 -9.975 -7.790 1.00 0.00 C ATOM 1073 C LYS A 68 -0.307 -8.870 -7.123 1.00 0.00 C ATOM 1074 O LYS A 68 0.782 -9.134 -6.608 1.00 0.00 O ATOM 1075 CB LYS A 68 -1.021 -9.907 -9.335 1.00 0.00 C ATOM 1076 CG LYS A 68 -1.755 -11.055 -10.074 1.00 0.00 C ATOM 1077 CD LYS A 68 -1.691 -10.930 -11.612 1.00 0.00 C ATOM 1078 CE LYS A 68 -2.406 -9.679 -12.131 1.00 0.00 C ATOM 1079 NZ LYS A 68 -2.343 -9.570 -13.604 1.00 0.00 N ATOM 0 H LYS A 68 -3.195 -9.689 -8.193 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.780 -10.937 -7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.414 -8.952 -9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.036 -9.933 -9.600 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.318 -12.008 -9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.799 -11.071 -9.761 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.648 -10.905 -11.928 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.140 -11.815 -12.064 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.449 -9.701 -11.814 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.956 -8.793 -11.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.840 -8.709 -13.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.349 -9.522 -13.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.796 -10.402 -14.033 1.00 0.00 H new ATOM 1093 N TYR A 69 -0.821 -7.633 -7.131 1.00 0.00 N ATOM 1094 CA TYR A 69 -0.123 -6.473 -6.542 1.00 0.00 C ATOM 1095 C TYR A 69 -0.538 -6.239 -5.084 1.00 0.00 C ATOM 1096 O TYR A 69 0.202 -5.624 -4.322 1.00 0.00 O ATOM 1097 CB TYR A 69 -0.377 -5.215 -7.402 1.00 0.00 C ATOM 1098 CG TYR A 69 0.143 -5.370 -8.836 1.00 0.00 C ATOM 1099 CD1 TYR A 69 1.512 -5.415 -9.100 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -0.728 -5.493 -9.916 1.00 0.00 C ATOM 1101 CE1 TYR A 69 1.989 -5.573 -10.384 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -0.256 -5.650 -11.201 1.00 0.00 C ATOM 1103 CZ TYR A 69 1.103 -5.689 -11.431 1.00 0.00 C ATOM 1104 OH TYR A 69 1.574 -5.841 -12.716 1.00 0.00 O ATOM 0 H TYR A 69 -1.726 -7.405 -7.542 1.00 0.00 H new ATOM 0 HA TYR A 69 0.946 -6.686 -6.536 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.446 -5.006 -7.427 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.105 -4.356 -6.935 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.212 -5.324 -8.283 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.794 -5.465 -9.743 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.053 -5.606 -10.567 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.948 -5.742 -12.025 1.00 0.00 H new ATOM 0 HH TYR A 69 0.818 -5.909 -13.336 1.00 0.00 H new ATOM 1114 N PHE A 70 -1.718 -6.741 -4.694 1.00 0.00 N ATOM 1115 CA PHE A 70 -2.297 -6.467 -3.361 1.00 0.00 C ATOM 1116 C PHE A 70 -2.149 -7.661 -2.409 1.00 0.00 C ATOM 1117 O PHE A 70 -2.693 -7.641 -1.303 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.774 -5.990 -3.515 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.866 -4.542 -4.016 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -3.484 -4.206 -5.314 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -4.254 -3.510 -3.162 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -3.504 -2.895 -5.745 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -4.281 -2.202 -3.599 1.00 0.00 C ATOM 1124 CZ PHE A 70 -3.895 -1.892 -4.884 1.00 0.00 C ATOM 0 H PHE A 70 -2.296 -7.342 -5.282 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.733 -5.659 -2.895 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.296 -6.647 -4.211 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.283 -6.074 -2.555 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.167 -4.984 -5.993 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.537 -3.738 -2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.213 -2.655 -6.757 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.606 -1.418 -2.931 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.899 -0.865 -5.217 1.00 0.00 H new ATOM 1134 N LYS A 71 -1.352 -8.668 -2.823 1.00 0.00 N ATOM 1135 CA LYS A 71 -1.048 -9.852 -1.992 1.00 0.00 C ATOM 1136 C LYS A 71 -0.158 -9.461 -0.796 1.00 0.00 C ATOM 1137 O LYS A 71 -0.439 -9.848 0.324 1.00 0.00 O ATOM 1138 CB LYS A 71 -0.351 -10.967 -2.826 1.00 0.00 C ATOM 1139 CG LYS A 71 0.947 -10.522 -3.540 1.00 0.00 C ATOM 1140 CD LYS A 71 1.689 -11.673 -4.248 1.00 0.00 C ATOM 1141 CE LYS A 71 0.853 -12.333 -5.359 1.00 0.00 C ATOM 1142 NZ LYS A 71 1.666 -13.261 -6.187 1.00 0.00 N ATOM 0 H LYS A 71 -0.903 -8.684 -3.739 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.995 -10.243 -1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.119 -11.804 -2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.053 -11.336 -3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.703 -9.753 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.615 -10.065 -2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.616 -11.291 -4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.965 -12.428 -3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.022 -12.879 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.422 -11.561 -5.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.066 -13.685 -6.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.445 -12.736 -6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.057 -14.013 -5.584 1.00 0.00 H new ATOM 1156 N ASP A 72 0.891 -8.656 -1.064 1.00 0.00 N ATOM 1157 CA ASP A 72 1.932 -8.283 -0.079 1.00 0.00 C ATOM 1158 C ASP A 72 2.252 -6.801 -0.232 1.00 0.00 C ATOM 1159 O ASP A 72 2.021 -6.224 -1.296 1.00 0.00 O ATOM 1160 CB ASP A 72 3.257 -9.090 -0.285 1.00 0.00 C ATOM 1161 CG ASP A 72 3.104 -10.616 -0.157 1.00 0.00 C ATOM 1162 OD1 ASP A 72 2.826 -11.105 0.954 1.00 0.00 O ATOM 1163 OD2 ASP A 72 3.276 -11.335 -1.167 1.00 0.00 O ATOM 0 H ASP A 72 1.042 -8.240 -1.983 1.00 0.00 H new ATOM 0 HA ASP A 72 1.541 -8.510 0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.657 -8.860 -1.272 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.992 -8.749 0.444 1.00 0.00 H new ATOM 1168 N LEU A 73 2.833 -6.212 0.826 1.00 0.00 N ATOM 1169 CA LEU A 73 3.356 -4.826 0.814 1.00 0.00 C ATOM 1170 C LEU A 73 4.500 -4.683 -0.211 1.00 0.00 C ATOM 1171 O LEU A 73 4.722 -3.603 -0.768 1.00 0.00 O ATOM 1172 CB LEU A 73 3.860 -4.458 2.227 1.00 0.00 C ATOM 1173 CG LEU A 73 4.539 -3.058 2.377 1.00 0.00 C ATOM 1174 CD1 LEU A 73 3.503 -1.917 2.398 1.00 0.00 C ATOM 1175 CD2 LEU A 73 5.484 -3.019 3.592 1.00 0.00 C ATOM 0 H LEU A 73 2.956 -6.683 1.722 1.00 0.00 H new ATOM 0 HA LEU A 73 2.554 -4.147 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.015 -4.504 2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.572 -5.219 2.545 1.00 0.00 H new ATOM 0 HG LEU A 73 5.155 -2.895 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.016 -0.961 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.936 -1.923 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.823 -2.058 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.939 -2.032 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.918 -3.228 4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.264 -3.770 3.470 1.00 0.00 H new ATOM 1187 N ASN A 74 5.202 -5.802 -0.450 1.00 0.00 N ATOM 1188 CA ASN A 74 6.292 -5.904 -1.429 1.00 0.00 C ATOM 1189 C ASN A 74 5.751 -5.563 -2.818 1.00 0.00 C ATOM 1190 O ASN A 74 6.316 -4.747 -3.549 1.00 0.00 O ATOM 1191 CB ASN A 74 6.844 -7.355 -1.443 1.00 0.00 C ATOM 1192 CG ASN A 74 8.202 -7.494 -2.136 1.00 0.00 C ATOM 1193 OD1 ASN A 74 8.284 -7.647 -3.357 1.00 0.00 O ATOM 1194 ND2 ASN A 74 9.272 -7.478 -1.351 1.00 0.00 N ATOM 0 H ASN A 74 5.023 -6.677 0.042 1.00 0.00 H new ATOM 0 HA ASN A 74 7.090 -5.212 -1.159 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.933 -7.710 -0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.124 -8.003 -1.943 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.202 -7.595 -1.754 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.165 -7.349 -0.345 1.00 0.00 H new ATOM 1201 N ALA A 75 4.607 -6.192 -3.117 1.00 0.00 N ATOM 1202 CA ALA A 75 3.924 -6.090 -4.399 1.00 0.00 C ATOM 1203 C ALA A 75 3.171 -4.745 -4.516 1.00 0.00 C ATOM 1204 O ALA A 75 3.054 -4.196 -5.617 1.00 0.00 O ATOM 1205 CB ALA A 75 2.995 -7.304 -4.548 1.00 0.00 C ATOM 0 H ALA A 75 4.125 -6.799 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 75 4.644 -6.101 -5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.473 -7.247 -5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.585 -8.220 -4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.268 -7.307 -3.736 1.00 0.00 H new ATOM 1211 N ILE A 76 2.674 -4.228 -3.364 1.00 0.00 N ATOM 1212 CA ILE A 76 2.034 -2.893 -3.272 1.00 0.00 C ATOM 1213 C ILE A 76 3.029 -1.805 -3.664 1.00 0.00 C ATOM 1214 O ILE A 76 2.741 -0.941 -4.485 1.00 0.00 O ATOM 1215 CB ILE A 76 1.496 -2.586 -1.813 1.00 0.00 C ATOM 1216 CG1 ILE A 76 0.333 -3.540 -1.430 1.00 0.00 C ATOM 1217 CG2 ILE A 76 1.054 -1.101 -1.633 1.00 0.00 C ATOM 1218 CD1 ILE A 76 -0.947 -3.316 -2.196 1.00 0.00 C ATOM 0 H ILE A 76 2.706 -4.725 -2.474 1.00 0.00 H new ATOM 0 HA ILE A 76 1.186 -2.901 -3.957 1.00 0.00 H new ATOM 0 HB ILE A 76 2.334 -2.760 -1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.659 -4.568 -1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.127 -3.430 -0.365 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.695 -0.949 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.903 -0.443 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.255 -0.871 -2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.701 -4.028 -1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.303 -2.301 -2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.763 -3.457 -3.261 1.00 0.00 H new ATOM 1230 N SER A 77 4.208 -1.870 -3.058 1.00 0.00 N ATOM 1231 CA SER A 77 5.219 -0.835 -3.194 1.00 0.00 C ATOM 1232 C SER A 77 5.905 -0.929 -4.547 1.00 0.00 C ATOM 1233 O SER A 77 6.148 0.097 -5.163 1.00 0.00 O ATOM 1234 CB SER A 77 6.246 -0.960 -2.068 1.00 0.00 C ATOM 1235 OG SER A 77 7.265 0.033 -2.139 1.00 0.00 O ATOM 0 H SER A 77 4.488 -2.645 -2.457 1.00 0.00 H new ATOM 0 HA SER A 77 4.733 0.138 -3.125 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.737 -0.884 -1.107 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.704 -1.948 -2.108 1.00 0.00 H new ATOM 0 HG SER A 77 7.850 -0.153 -2.903 1.00 0.00 H new ATOM 1241 N ARG A 78 6.201 -2.164 -5.009 1.00 0.00 N ATOM 1242 CA ARG A 78 6.959 -2.374 -6.261 1.00 0.00 C ATOM 1243 C ARG A 78 6.159 -1.858 -7.467 1.00 0.00 C ATOM 1244 O ARG A 78 6.746 -1.413 -8.468 1.00 0.00 O ATOM 1245 CB ARG A 78 7.371 -3.865 -6.451 1.00 0.00 C ATOM 1246 CG ARG A 78 6.308 -4.794 -7.087 1.00 0.00 C ATOM 1247 CD ARG A 78 6.752 -6.271 -7.106 1.00 0.00 C ATOM 1248 NE ARG A 78 8.114 -6.449 -7.666 1.00 0.00 N ATOM 1249 CZ ARG A 78 8.450 -7.255 -8.686 1.00 0.00 C ATOM 1250 NH1 ARG A 78 7.538 -7.973 -9.316 1.00 0.00 N ATOM 1251 NH2 ARG A 78 9.708 -7.343 -9.063 1.00 0.00 N ATOM 0 H ARG A 78 5.928 -3.026 -4.536 1.00 0.00 H new ATOM 0 HA ARG A 78 7.882 -1.799 -6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.267 -3.896 -7.070 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.642 -4.272 -5.477 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.374 -4.706 -6.532 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.106 -4.465 -8.106 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.726 -6.668 -6.091 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.042 -6.853 -7.694 1.00 0.00 H new ATOM 0 HE ARG A 78 8.865 -5.909 -7.236 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.560 -7.920 -9.030 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.811 -8.580 -10.089 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.424 -6.800 -8.581 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.967 -7.954 -9.837 1.00 0.00 H new ATOM 1265 N THR A 79 4.807 -1.899 -7.355 1.00 0.00 N ATOM 1266 CA THR A 79 3.937 -1.351 -8.390 1.00 0.00 C ATOM 1267 C THR A 79 3.802 0.166 -8.215 1.00 0.00 C ATOM 1268 O THR A 79 3.749 0.864 -9.204 1.00 0.00 O ATOM 1269 CB THR A 79 2.519 -2.019 -8.448 1.00 0.00 C ATOM 1270 OG1 THR A 79 1.849 -1.573 -9.625 1.00 0.00 O ATOM 1271 CG2 THR A 79 1.628 -1.703 -7.237 1.00 0.00 C ATOM 0 H THR A 79 4.313 -2.305 -6.560 1.00 0.00 H new ATOM 0 HA THR A 79 4.416 -1.579 -9.342 1.00 0.00 H new ATOM 0 HB THR A 79 2.685 -3.096 -8.448 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.788 -2.311 -10.266 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.666 -2.202 -7.353 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.112 -2.057 -6.327 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.473 -0.626 -7.171 1.00 0.00 H new ATOM 1279 N VAL A 80 3.769 0.656 -6.952 1.00 0.00 N ATOM 1280 CA VAL A 80 3.639 2.109 -6.633 1.00 0.00 C ATOM 1281 C VAL A 80 4.894 2.896 -7.046 1.00 0.00 C ATOM 1282 O VAL A 80 4.797 4.057 -7.435 1.00 0.00 O ATOM 1283 CB VAL A 80 3.307 2.325 -5.097 1.00 0.00 C ATOM 1284 CG1 VAL A 80 3.667 3.742 -4.584 1.00 0.00 C ATOM 1285 CG2 VAL A 80 1.813 2.017 -4.831 1.00 0.00 C ATOM 0 H VAL A 80 3.831 0.062 -6.125 1.00 0.00 H new ATOM 0 HA VAL A 80 2.806 2.500 -7.217 1.00 0.00 H new ATOM 0 HB VAL A 80 3.934 1.630 -4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.414 3.821 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.735 3.916 -4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.106 4.487 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.593 2.168 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.192 2.683 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.601 0.983 -5.102 1.00 0.00 H new ATOM 1295 N GLU A 81 6.054 2.247 -6.972 1.00 0.00 N ATOM 1296 CA GLU A 81 7.339 2.834 -7.394 1.00 0.00 C ATOM 1297 C GLU A 81 7.366 3.018 -8.926 1.00 0.00 C ATOM 1298 O GLU A 81 8.051 3.893 -9.455 1.00 0.00 O ATOM 1299 CB GLU A 81 8.500 1.936 -6.898 1.00 0.00 C ATOM 1300 CG GLU A 81 8.619 1.900 -5.357 1.00 0.00 C ATOM 1301 CD GLU A 81 9.671 0.902 -4.842 1.00 0.00 C ATOM 1302 OE1 GLU A 81 10.876 1.189 -4.967 1.00 0.00 O ATOM 1303 OE2 GLU A 81 9.301 -0.175 -4.305 1.00 0.00 O ATOM 0 H GLU A 81 6.137 1.294 -6.617 1.00 0.00 H new ATOM 0 HA GLU A 81 7.459 3.822 -6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.352 0.922 -7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.438 2.297 -7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.871 2.898 -4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.649 1.643 -4.932 1.00 0.00 H new ATOM 1310 N GLN A 82 6.597 2.168 -9.613 1.00 0.00 N ATOM 1311 CA GLN A 82 6.334 2.284 -11.059 1.00 0.00 C ATOM 1312 C GLN A 82 5.194 3.302 -11.309 1.00 0.00 C ATOM 1313 O GLN A 82 5.303 4.160 -12.186 1.00 0.00 O ATOM 1314 CB GLN A 82 5.977 0.889 -11.646 1.00 0.00 C ATOM 1315 CG GLN A 82 5.672 0.868 -13.163 1.00 0.00 C ATOM 1316 CD GLN A 82 6.824 1.391 -14.030 1.00 0.00 C ATOM 1317 OE1 GLN A 82 7.722 0.636 -14.411 1.00 0.00 O ATOM 1318 NE2 GLN A 82 6.808 2.681 -14.351 1.00 0.00 N ATOM 0 H GLN A 82 6.132 1.370 -9.180 1.00 0.00 H new ATOM 0 HA GLN A 82 7.230 2.647 -11.562 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.805 0.208 -11.449 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.110 0.500 -11.112 1.00 0.00 H new ATOM 0 HG2 GLN A 82 5.437 -0.153 -13.463 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.783 1.469 -13.354 1.00 0.00 H new ATOM 0 HE21 GLN A 82 6.051 3.280 -14.020 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.553 3.072 -14.928 1.00 0.00 H new ATOM 1327 N LEU A 83 4.133 3.227 -10.481 1.00 0.00 N ATOM 1328 CA LEU A 83 2.905 4.047 -10.620 1.00 0.00 C ATOM 1329 C LEU A 83 3.169 5.505 -10.263 1.00 0.00 C ATOM 1330 O LEU A 83 2.397 6.374 -10.642 1.00 0.00 O ATOM 1331 CB LEU A 83 1.754 3.501 -9.721 1.00 0.00 C ATOM 1332 CG LEU A 83 1.091 2.166 -10.178 1.00 0.00 C ATOM 1333 CD1 LEU A 83 0.068 1.653 -9.140 1.00 0.00 C ATOM 1334 CD2 LEU A 83 0.456 2.319 -11.576 1.00 0.00 C ATOM 0 H LEU A 83 4.101 2.589 -9.686 1.00 0.00 H new ATOM 0 HA LEU A 83 2.601 3.985 -11.665 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.145 3.361 -8.713 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.978 4.264 -9.659 1.00 0.00 H new ATOM 0 HG LEU A 83 1.875 1.412 -10.249 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.373 0.721 -9.494 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.571 1.478 -8.189 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.717 2.397 -9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.000 1.375 -11.874 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.307 3.097 -11.546 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.226 2.593 -12.297 1.00 0.00 H new ATOM 1346 N LYS A 84 4.240 5.751 -9.503 1.00 0.00 N ATOM 1347 CA LYS A 84 4.665 7.104 -9.137 1.00 0.00 C ATOM 1348 C LYS A 84 5.207 7.804 -10.377 1.00 0.00 C ATOM 1349 O LYS A 84 4.930 8.977 -10.603 1.00 0.00 O ATOM 1350 CB LYS A 84 5.738 7.052 -8.022 1.00 0.00 C ATOM 1351 CG LYS A 84 6.207 8.435 -7.513 1.00 0.00 C ATOM 1352 CD LYS A 84 7.132 8.343 -6.282 1.00 0.00 C ATOM 1353 CE LYS A 84 8.339 7.422 -6.492 1.00 0.00 C ATOM 1354 NZ LYS A 84 9.271 7.472 -5.343 1.00 0.00 N ATOM 0 H LYS A 84 4.837 5.016 -9.124 1.00 0.00 H new ATOM 0 HA LYS A 84 3.813 7.663 -8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.340 6.486 -7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.604 6.504 -8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.731 8.953 -8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.335 9.038 -7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.487 9.342 -6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.555 7.984 -5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.995 6.398 -6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.866 7.713 -7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.075 6.837 -5.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.619 8.444 -5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.775 7.170 -4.480 1.00 0.00 H new ATOM 1368 N ALA A 85 5.946 7.026 -11.191 1.00 0.00 N ATOM 1369 CA ALA A 85 6.491 7.477 -12.476 1.00 0.00 C ATOM 1370 C ALA A 85 5.343 7.746 -13.460 1.00 0.00 C ATOM 1371 O ALA A 85 5.286 8.796 -14.093 1.00 0.00 O ATOM 1372 CB ALA A 85 7.449 6.415 -13.042 1.00 0.00 C ATOM 0 H ALA A 85 6.181 6.059 -10.969 1.00 0.00 H new ATOM 0 HA ALA A 85 7.049 8.402 -12.327 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.849 6.758 -13.996 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.268 6.254 -12.342 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.909 5.480 -13.190 1.00 0.00 H new ATOM 1378 N GLU A 86 4.400 6.792 -13.514 1.00 0.00 N ATOM 1379 CA GLU A 86 3.258 6.829 -14.445 1.00 0.00 C ATOM 1380 C GLU A 86 2.268 7.953 -14.074 1.00 0.00 C ATOM 1381 O GLU A 86 1.641 8.554 -14.953 1.00 0.00 O ATOM 1382 CB GLU A 86 2.549 5.444 -14.466 1.00 0.00 C ATOM 1383 CG GLU A 86 3.489 4.253 -14.784 1.00 0.00 C ATOM 1384 CD GLU A 86 4.294 4.428 -16.085 1.00 0.00 C ATOM 1385 OE1 GLU A 86 3.732 4.218 -17.184 1.00 0.00 O ATOM 1386 OE2 GLU A 86 5.496 4.773 -16.023 1.00 0.00 O ATOM 0 H GLU A 86 4.407 5.969 -12.911 1.00 0.00 H new ATOM 0 HA GLU A 86 3.633 7.046 -15.445 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.080 5.274 -13.497 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.750 5.469 -15.206 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.182 4.118 -13.954 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.895 3.342 -14.855 1.00 0.00 H new ATOM 1393 N SER A 87 2.139 8.230 -12.760 1.00 0.00 N ATOM 1394 CA SER A 87 1.246 9.291 -12.249 1.00 0.00 C ATOM 1395 C SER A 87 1.951 10.663 -12.302 1.00 0.00 C ATOM 1396 O SER A 87 1.281 11.695 -12.328 1.00 0.00 O ATOM 1397 CB SER A 87 0.772 8.976 -10.804 1.00 0.00 C ATOM 1398 OG SER A 87 -0.240 9.872 -10.351 1.00 0.00 O ATOM 0 H SER A 87 2.646 7.730 -12.029 1.00 0.00 H new ATOM 0 HA SER A 87 0.365 9.328 -12.890 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.392 7.955 -10.765 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.625 9.025 -10.127 1.00 0.00 H new ATOM 0 HG SER A 87 0.004 10.222 -9.469 1.00 0.00 H new ATOM 1404 N ALA A 88 3.305 10.659 -12.310 1.00 0.00 N ATOM 1405 CA ALA A 88 4.120 11.888 -12.435 1.00 0.00 C ATOM 1406 C ALA A 88 4.069 12.404 -13.881 1.00 0.00 C ATOM 1407 O ALA A 88 3.974 13.612 -14.118 1.00 0.00 O ATOM 1408 CB ALA A 88 5.578 11.629 -12.003 1.00 0.00 C ATOM 0 H ALA A 88 3.860 9.807 -12.230 1.00 0.00 H new ATOM 0 HA ALA A 88 3.705 12.648 -11.773 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.156 12.548 -12.104 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.597 11.301 -10.964 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.013 10.855 -12.636 1.00 0.00 H new ATOM 1414 N LEU A 89 4.127 11.458 -14.844 1.00 0.00 N ATOM 1415 CA LEU A 89 3.983 11.744 -16.286 1.00 0.00 C ATOM 1416 C LEU A 89 2.499 11.938 -16.685 1.00 0.00 C ATOM 1417 O LEU A 89 2.203 12.225 -17.846 1.00 0.00 O ATOM 1418 CB LEU A 89 4.664 10.619 -17.140 1.00 0.00 C ATOM 1419 CG LEU A 89 6.219 10.728 -17.329 1.00 0.00 C ATOM 1420 CD1 LEU A 89 6.607 12.047 -18.028 1.00 0.00 C ATOM 1421 CD2 LEU A 89 6.989 10.551 -16.003 1.00 0.00 C ATOM 0 H LEU A 89 4.276 10.470 -14.640 1.00 0.00 H new ATOM 0 HA LEU A 89 4.493 12.684 -16.494 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.443 9.658 -16.676 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.200 10.611 -18.126 1.00 0.00 H new ATOM 0 HG LEU A 89 6.514 9.902 -17.976 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.690 12.092 -18.144 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.135 12.091 -19.009 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.271 12.891 -17.425 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.060 10.635 -16.190 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.682 11.323 -15.298 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.770 9.569 -15.583 1.00 0.00 H new ATOM 1433 N GLU A 90 1.579 11.796 -15.717 1.00 0.00 N ATOM 1434 CA GLU A 90 0.147 12.078 -15.910 1.00 0.00 C ATOM 1435 C GLU A 90 -0.149 13.484 -15.348 1.00 0.00 C ATOM 1436 CB GLU A 90 -0.708 10.987 -15.209 1.00 0.00 C ATOM 1437 CG GLU A 90 -2.231 11.157 -15.374 1.00 0.00 C ATOM 1438 CD GLU A 90 -3.027 10.072 -14.637 1.00 0.00 C ATOM 1439 OE1 GLU A 90 -3.238 8.982 -15.211 1.00 0.00 O ATOM 1440 OE2 GLU A 90 -3.439 10.291 -13.478 1.00 0.00 O ATOM 0 H GLU A 90 1.809 11.481 -14.774 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.111 12.059 -16.969 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.420 10.012 -15.601 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.469 10.986 -14.145 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.526 12.137 -15.000 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.483 11.131 -16.434 1.00 0.00 H new