USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 656 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 80 SER OG : rot 175:sc= 0.398 USER MOD Set 1.2: A 89 SER OG : rot -78:sc= 0.205 USER MOD Set 2.1: A 13 GLN : amide:sc= -0.433 X(o=-0.045,f=-0.43) USER MOD Set 2.2: A 88 SER OG : rot 60:sc= 0.388 USER MOD Single : A 9 MET CE :methyl -109:sc= -0.966 (180deg=-2.38!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 12 LYS NZ :NH3+ 166:sc= 0.181 (180deg=0.0645) USER MOD Single : A 17 THR OG1 : rot 52:sc= 0.103 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot -110:sc= -0.333 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0013) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -8.16! C(o=-8.2!,f=-15!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -3.15! C(o=-3.1!,f=-3.2!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -28:sc= 1.2 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 139:sc= 1.08 USER MOD Single : A 84 THR OG1 : rot 142:sc= -2.64 USER MOD Single : A 87 GLN : amide:sc= -1.49! C(o=-1.5!,f=-2.8!) USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= -0.0769 (180deg=-0.468) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -20.340 -3.399 -2.477 1.00 0.00 N ATOM 60 CA GLY A 7 -18.902 -3.215 -2.538 1.00 0.00 C ATOM 61 C GLY A 7 -18.359 -2.486 -1.325 1.00 0.00 C ATOM 62 O GLY A 7 -19.119 -2.085 -0.442 1.00 0.00 O ATOM 0 HA2 GLY A 7 -18.417 -4.188 -2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.648 -2.655 -3.438 1.00 0.00 H new ATOM 66 N ILE A 8 -17.042 -2.315 -1.279 1.00 0.00 N ATOM 67 CA ILE A 8 -16.400 -1.630 -0.164 1.00 0.00 C ATOM 68 C ILE A 8 -15.745 -0.331 -0.621 1.00 0.00 C ATOM 69 O ILE A 8 -14.857 -0.337 -1.473 1.00 0.00 O ATOM 70 CB ILE A 8 -15.336 -2.520 0.505 1.00 0.00 C ATOM 71 CG1 ILE A 8 -16.003 -3.689 1.233 1.00 0.00 C ATOM 72 CG2 ILE A 8 -14.491 -1.701 1.470 1.00 0.00 C ATOM 73 CD1 ILE A 8 -15.020 -4.711 1.761 1.00 0.00 C ATOM 0 H ILE A 8 -16.399 -2.641 -2.001 1.00 0.00 H new ATOM 0 HA ILE A 8 -17.182 -1.405 0.561 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.682 -2.923 -0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.592 -3.301 2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.697 -4.182 0.552 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.744 -2.344 1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.992 -0.899 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -15.131 -1.273 2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.562 -5.511 2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.447 -5.127 0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.341 -4.232 2.467 1.00 0.00 H new ATOM 85 N MET A 9 -16.189 0.783 -0.048 1.00 0.00 N ATOM 86 CA MET A 9 -15.644 2.091 -0.394 1.00 0.00 C ATOM 87 C MET A 9 -14.527 2.486 0.567 1.00 0.00 C ATOM 88 O MET A 9 -14.603 2.218 1.766 1.00 0.00 O ATOM 89 CB MET A 9 -16.748 3.149 -0.374 1.00 0.00 C ATOM 90 CG MET A 9 -18.067 2.662 -0.952 1.00 0.00 C ATOM 91 SD MET A 9 -17.919 2.131 -2.669 1.00 0.00 S ATOM 92 CE MET A 9 -18.655 0.501 -2.584 1.00 0.00 C ATOM 0 H MET A 9 -16.925 0.806 0.658 1.00 0.00 H new ATOM 0 HA MET A 9 -15.229 2.029 -1.400 1.00 0.00 H new ATOM 0 HB2 MET A 9 -16.909 3.475 0.654 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.414 4.021 -0.936 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.439 1.833 -0.350 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.806 3.461 -0.885 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.879 -0.255 -2.700 1.00 0.00 H new ATOM 0 HE2 MET A 9 -19.145 0.373 -1.619 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.390 0.392 -3.381 1.00 0.00 H new ATOM 102 N VAL A 10 -13.491 3.124 0.033 1.00 0.00 N ATOM 103 CA VAL A 10 -12.358 3.557 0.843 1.00 0.00 C ATOM 104 C VAL A 10 -12.618 4.925 1.464 1.00 0.00 C ATOM 105 O VAL A 10 -12.461 5.956 0.810 1.00 0.00 O ATOM 106 CB VAL A 10 -11.064 3.620 0.011 1.00 0.00 C ATOM 107 CG1 VAL A 10 -9.930 4.215 0.832 1.00 0.00 C ATOM 108 CG2 VAL A 10 -10.693 2.236 -0.502 1.00 0.00 C ATOM 0 H VAL A 10 -13.412 3.353 -0.958 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.235 2.819 1.635 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.236 4.267 -0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.024 4.252 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.198 5.224 1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.755 3.596 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.776 2.299 -1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.539 1.564 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.498 1.852 -1.128 1.00 0.00 H new ATOM 118 N THR A 11 -13.016 4.927 2.732 1.00 0.00 N ATOM 119 CA THR A 11 -13.299 6.168 3.442 1.00 0.00 C ATOM 120 C THR A 11 -12.040 7.016 3.588 1.00 0.00 C ATOM 121 O THR A 11 -12.045 8.210 3.287 1.00 0.00 O ATOM 122 CB THR A 11 -13.885 5.895 4.840 1.00 0.00 C ATOM 123 OG1 THR A 11 -12.903 5.262 5.668 1.00 0.00 O ATOM 124 CG2 THR A 11 -15.121 5.013 4.745 1.00 0.00 C ATOM 0 H THR A 11 -13.150 4.083 3.289 1.00 0.00 H new ATOM 0 HA THR A 11 -14.034 6.711 2.848 1.00 0.00 H new ATOM 0 HB THR A 11 -14.172 6.849 5.283 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.283 5.093 6.555 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.518 4.834 5.744 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.877 5.511 4.138 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.855 4.062 4.284 1.00 0.00 H new ATOM 132 N LYS A 12 -10.963 6.393 4.052 1.00 0.00 N ATOM 133 CA LYS A 12 -9.695 7.090 4.237 1.00 0.00 C ATOM 134 C LYS A 12 -8.734 6.783 3.092 1.00 0.00 C ATOM 135 O LYS A 12 -8.132 5.711 3.047 1.00 0.00 O ATOM 136 CB LYS A 12 -9.060 6.690 5.571 1.00 0.00 C ATOM 137 CG LYS A 12 -7.951 7.626 6.020 1.00 0.00 C ATOM 138 CD LYS A 12 -7.349 7.182 7.343 1.00 0.00 C ATOM 139 CE LYS A 12 -5.911 7.656 7.488 1.00 0.00 C ATOM 140 NZ LYS A 12 -4.945 6.681 6.909 1.00 0.00 N ATOM 0 H LYS A 12 -10.942 5.406 4.307 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.895 8.162 4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.834 6.662 6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.659 5.680 5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.172 7.661 5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.345 8.637 6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.947 7.574 8.166 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.384 6.095 7.413 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.795 8.620 6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.684 7.810 8.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.013 7.132 6.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.865 5.856 7.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.281 6.373 5.974 1.00 0.00 H new ATOM 154 N GLN A 13 -8.596 7.732 2.172 1.00 0.00 N ATOM 155 CA GLN A 13 -7.707 7.563 1.029 1.00 0.00 C ATOM 156 C GLN A 13 -6.249 7.726 1.444 1.00 0.00 C ATOM 157 O GLN A 13 -5.947 8.365 2.452 1.00 0.00 O ATOM 158 CB GLN A 13 -8.054 8.573 -0.067 1.00 0.00 C ATOM 159 CG GLN A 13 -9.461 8.412 -0.620 1.00 0.00 C ATOM 160 CD GLN A 13 -9.523 7.447 -1.787 1.00 0.00 C ATOM 161 OE1 GLN A 13 -8.858 7.642 -2.805 1.00 0.00 O ATOM 162 NE2 GLN A 13 -10.325 6.398 -1.646 1.00 0.00 N ATOM 0 H GLN A 13 -9.088 8.625 2.196 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.844 6.554 0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.942 9.581 0.331 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.338 8.472 -0.883 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.121 8.060 0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.836 9.385 -0.938 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.858 6.276 -0.785 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.408 5.715 -2.399 1.00 0.00 H new ATOM 171 N LEU A 14 -5.348 7.143 0.661 1.00 0.00 N ATOM 172 CA LEU A 14 -3.920 7.223 0.947 1.00 0.00 C ATOM 173 C LEU A 14 -3.408 8.649 0.771 1.00 0.00 C ATOM 174 O LEU A 14 -3.959 9.424 -0.009 1.00 0.00 O ATOM 175 CB LEU A 14 -3.142 6.274 0.033 1.00 0.00 C ATOM 176 CG LEU A 14 -3.601 4.815 0.035 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.046 4.080 -1.175 1.00 0.00 C ATOM 178 CD2 LEU A 14 -3.176 4.124 1.322 1.00 0.00 C ATOM 0 H LEU A 14 -5.581 6.610 -0.177 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.766 6.926 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.204 6.652 -0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.091 6.304 0.321 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.689 4.796 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.383 3.043 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.400 4.561 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.957 4.108 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.511 3.087 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.090 4.153 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.622 4.636 2.174 1.00 0.00 H new ATOM 190 N GLU A 15 -2.349 8.987 1.501 1.00 0.00 N ATOM 191 CA GLU A 15 -1.763 10.319 1.424 1.00 0.00 C ATOM 192 C GLU A 15 -0.288 10.243 1.039 1.00 0.00 C ATOM 193 O GLU A 15 0.436 9.353 1.485 1.00 0.00 O ATOM 194 CB GLU A 15 -1.915 11.046 2.762 1.00 0.00 C ATOM 195 CG GLU A 15 -3.357 11.361 3.123 1.00 0.00 C ATOM 196 CD GLU A 15 -3.482 12.080 4.452 1.00 0.00 C ATOM 197 OE1 GLU A 15 -2.613 11.871 5.324 1.00 0.00 O ATOM 198 OE2 GLU A 15 -4.450 12.851 4.620 1.00 0.00 O ATOM 0 H GLU A 15 -1.880 8.357 2.152 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.294 10.877 0.653 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.477 10.434 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.347 11.975 2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.798 11.976 2.339 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.929 10.434 3.161 1.00 0.00 H new ATOM 205 N ASP A 16 0.149 11.183 0.208 1.00 0.00 N ATOM 206 CA ASP A 16 1.537 11.224 -0.238 1.00 0.00 C ATOM 207 C ASP A 16 2.492 11.111 0.947 1.00 0.00 C ATOM 208 O ASP A 16 2.388 11.864 1.916 1.00 0.00 O ATOM 209 CB ASP A 16 1.810 12.517 -1.007 1.00 0.00 C ATOM 210 CG ASP A 16 3.284 12.870 -1.042 1.00 0.00 C ATOM 211 OD1 ASP A 16 3.874 13.064 0.042 1.00 0.00 O ATOM 212 OD2 ASP A 16 3.849 12.951 -2.153 1.00 0.00 O ATOM 0 H ASP A 16 -0.438 11.927 -0.170 1.00 0.00 H new ATOM 0 HA ASP A 16 1.705 10.375 -0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.440 12.415 -2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.255 13.334 -0.547 1.00 0.00 H new ATOM 217 N THR A 17 3.422 10.165 0.863 1.00 0.00 N ATOM 218 CA THR A 17 4.393 9.951 1.928 1.00 0.00 C ATOM 219 C THR A 17 5.819 10.103 1.410 1.00 0.00 C ATOM 220 O THR A 17 6.146 9.641 0.316 1.00 0.00 O ATOM 221 CB THR A 17 4.235 8.556 2.562 1.00 0.00 C ATOM 222 OG1 THR A 17 2.968 8.459 3.222 1.00 0.00 O ATOM 223 CG2 THR A 17 5.353 8.284 3.557 1.00 0.00 C ATOM 0 H THR A 17 3.523 9.535 0.068 1.00 0.00 H new ATOM 0 HA THR A 17 4.202 10.710 2.687 1.00 0.00 H new ATOM 0 HB THR A 17 4.288 7.812 1.767 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.256 8.724 2.603 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.220 7.293 3.992 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.314 8.330 3.046 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.327 9.034 4.348 1.00 0.00 H new ATOM 231 N THR A 18 6.666 10.751 2.204 1.00 0.00 N ATOM 232 CA THR A 18 8.057 10.964 1.825 1.00 0.00 C ATOM 233 C THR A 18 9.004 10.274 2.801 1.00 0.00 C ATOM 234 O THR A 18 9.201 10.740 3.923 1.00 0.00 O ATOM 235 CB THR A 18 8.401 12.464 1.767 1.00 0.00 C ATOM 236 OG1 THR A 18 7.492 13.142 0.893 1.00 0.00 O ATOM 237 CG2 THR A 18 9.828 12.674 1.284 1.00 0.00 C ATOM 0 H THR A 18 6.413 11.137 3.113 1.00 0.00 H new ATOM 0 HA THR A 18 8.184 10.532 0.832 1.00 0.00 H new ATOM 0 HB THR A 18 8.311 12.874 2.773 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.717 14.095 0.863 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.048 13.741 1.251 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.520 12.182 1.968 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.941 12.250 0.286 1.00 0.00 H new ATOM 245 N ALA A 19 9.588 9.163 2.366 1.00 0.00 N ATOM 246 CA ALA A 19 10.517 8.411 3.201 1.00 0.00 C ATOM 247 C ALA A 19 11.927 8.445 2.621 1.00 0.00 C ATOM 248 O ALA A 19 12.132 8.873 1.486 1.00 0.00 O ATOM 249 CB ALA A 19 10.042 6.974 3.356 1.00 0.00 C ATOM 0 H ALA A 19 9.435 8.763 1.440 1.00 0.00 H new ATOM 0 HA ALA A 19 10.546 8.881 4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.745 6.424 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.057 6.965 3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.983 6.502 2.375 1.00 0.00 H new ATOM 255 N TYR A 20 12.896 7.991 3.408 1.00 0.00 N ATOM 256 CA TYR A 20 14.288 7.972 2.974 1.00 0.00 C ATOM 257 C TYR A 20 14.655 6.616 2.379 1.00 0.00 C ATOM 258 O TYR A 20 13.857 5.678 2.405 1.00 0.00 O ATOM 259 CB TYR A 20 15.215 8.294 4.148 1.00 0.00 C ATOM 260 CG TYR A 20 15.045 9.697 4.685 1.00 0.00 C ATOM 261 CD1 TYR A 20 15.352 10.804 3.903 1.00 0.00 C ATOM 262 CD2 TYR A 20 14.578 9.916 5.975 1.00 0.00 C ATOM 263 CE1 TYR A 20 15.199 12.087 4.391 1.00 0.00 C ATOM 264 CE2 TYR A 20 14.421 11.196 6.471 1.00 0.00 C ATOM 265 CZ TYR A 20 14.734 12.278 5.675 1.00 0.00 C ATOM 266 OH TYR A 20 14.579 13.555 6.164 1.00 0.00 O ATOM 0 H TYR A 20 12.743 7.631 4.350 1.00 0.00 H new ATOM 0 HA TYR A 20 14.412 8.732 2.203 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.031 7.581 4.952 1.00 0.00 H new ATOM 0 HB3 TYR A 20 16.249 8.158 3.832 1.00 0.00 H new ATOM 0 HD1 TYR A 20 15.716 10.659 2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 20 14.333 9.071 6.601 1.00 0.00 H new ATOM 0 HE1 TYR A 20 15.442 12.936 3.770 1.00 0.00 H new ATOM 0 HE2 TYR A 20 14.055 11.348 7.476 1.00 0.00 H new ATOM 0 HH TYR A 20 14.242 13.515 7.083 1.00 0.00 H new ATOM 276 N CYS A 21 15.867 6.521 1.844 1.00 0.00 N ATOM 277 CA CYS A 21 16.341 5.280 1.242 1.00 0.00 C ATOM 278 C CYS A 21 16.696 4.255 2.315 1.00 0.00 C ATOM 279 O CYS A 21 17.564 4.494 3.153 1.00 0.00 O ATOM 280 CB CYS A 21 17.559 5.551 0.357 1.00 0.00 C ATOM 281 SG CYS A 21 18.285 4.066 -0.375 1.00 0.00 S ATOM 0 H CYS A 21 16.539 7.288 1.815 1.00 0.00 H new ATOM 0 HA CYS A 21 15.537 4.873 0.628 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.269 6.233 -0.443 1.00 0.00 H new ATOM 0 HB3 CYS A 21 18.319 6.060 0.950 1.00 0.00 H new ATOM 0 HG CYS A 21 19.307 4.398 -1.107 1.00 0.00 H new ATOM 287 N GLY A 22 16.016 3.113 2.283 1.00 0.00 N ATOM 288 CA GLY A 22 16.272 2.070 3.259 1.00 0.00 C ATOM 289 C GLY A 22 15.289 2.102 4.413 1.00 0.00 C ATOM 290 O GLY A 22 15.108 1.104 5.109 1.00 0.00 O ATOM 0 H GLY A 22 15.293 2.892 1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.221 1.098 2.769 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.285 2.179 3.646 1.00 0.00 H new ATOM 294 N GLU A 23 14.656 3.253 4.618 1.00 0.00 N ATOM 295 CA GLU A 23 13.689 3.411 5.698 1.00 0.00 C ATOM 296 C GLU A 23 12.456 2.545 5.455 1.00 0.00 C ATOM 297 O GLU A 23 12.261 2.018 4.360 1.00 0.00 O ATOM 298 CB GLU A 23 13.277 4.878 5.833 1.00 0.00 C ATOM 299 CG GLU A 23 14.159 5.674 6.780 1.00 0.00 C ATOM 300 CD GLU A 23 14.377 4.969 8.105 1.00 0.00 C ATOM 301 OE1 GLU A 23 13.560 5.175 9.027 1.00 0.00 O ATOM 302 OE2 GLU A 23 15.363 4.212 8.220 1.00 0.00 O ATOM 0 H GLU A 23 14.795 4.089 4.051 1.00 0.00 H new ATOM 0 HA GLU A 23 14.162 3.087 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.301 5.345 4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.246 4.926 6.184 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.124 5.855 6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.705 6.648 6.961 1.00 0.00 H new ATOM 309 N ARG A 24 11.629 2.402 6.485 1.00 0.00 N ATOM 310 CA ARG A 24 10.417 1.598 6.385 1.00 0.00 C ATOM 311 C ARG A 24 9.191 2.486 6.191 1.00 0.00 C ATOM 312 O ARG A 24 8.913 3.366 7.006 1.00 0.00 O ATOM 313 CB ARG A 24 10.244 0.739 7.639 1.00 0.00 C ATOM 314 CG ARG A 24 8.862 0.119 7.767 1.00 0.00 C ATOM 315 CD ARG A 24 8.456 -0.044 9.223 1.00 0.00 C ATOM 316 NE ARG A 24 8.806 -1.362 9.745 1.00 0.00 N ATOM 317 CZ ARG A 24 8.800 -1.666 11.038 1.00 0.00 C ATOM 318 NH1 ARG A 24 8.465 -0.750 11.936 1.00 0.00 N ATOM 319 NH2 ARG A 24 9.131 -2.888 11.435 1.00 0.00 N ATOM 0 H ARG A 24 11.776 2.832 7.398 1.00 0.00 H new ATOM 0 HA ARG A 24 10.514 0.946 5.517 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.990 -0.056 7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.441 1.352 8.519 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.133 0.745 7.253 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.851 -0.853 7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.943 0.725 9.823 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.381 0.110 9.319 1.00 0.00 H new ATOM 0 HE ARG A 24 9.070 -2.089 9.080 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.211 0.191 11.635 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.461 -0.986 12.928 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.390 -3.595 10.747 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.126 -3.120 12.428 1.00 0.00 H new ATOM 333 N VAL A 25 8.461 2.250 5.105 1.00 0.00 N ATOM 334 CA VAL A 25 7.265 3.027 4.803 1.00 0.00 C ATOM 335 C VAL A 25 6.009 2.312 5.287 1.00 0.00 C ATOM 336 O VAL A 25 5.875 1.098 5.132 1.00 0.00 O ATOM 337 CB VAL A 25 7.139 3.298 3.293 1.00 0.00 C ATOM 338 CG1 VAL A 25 5.951 4.206 3.011 1.00 0.00 C ATOM 339 CG2 VAL A 25 8.424 3.905 2.751 1.00 0.00 C ATOM 0 H VAL A 25 8.678 1.526 4.420 1.00 0.00 H new ATOM 0 HA VAL A 25 7.363 3.977 5.328 1.00 0.00 H new ATOM 0 HB VAL A 25 6.970 2.349 2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.878 4.387 1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.036 3.728 3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.087 5.155 3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.317 4.090 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.626 4.846 3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.251 3.215 2.919 1.00 0.00 H new ATOM 349 N GLU A 26 5.090 3.073 5.874 1.00 0.00 N ATOM 350 CA GLU A 26 3.844 2.510 6.381 1.00 0.00 C ATOM 351 C GLU A 26 2.642 3.294 5.861 1.00 0.00 C ATOM 352 O GLU A 26 2.413 4.438 6.259 1.00 0.00 O ATOM 353 CB GLU A 26 3.844 2.510 7.911 1.00 0.00 C ATOM 354 CG GLU A 26 4.648 1.374 8.520 1.00 0.00 C ATOM 355 CD GLU A 26 4.407 1.221 10.009 1.00 0.00 C ATOM 356 OE1 GLU A 26 4.408 2.250 10.718 1.00 0.00 O ATOM 357 OE2 GLU A 26 4.218 0.075 10.466 1.00 0.00 O ATOM 0 H GLU A 26 5.185 4.079 6.010 1.00 0.00 H new ATOM 0 HA GLU A 26 3.768 1.483 6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.246 3.459 8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.815 2.447 8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.391 0.442 8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.709 1.550 8.344 1.00 0.00 H new ATOM 364 N LEU A 27 1.878 2.672 4.970 1.00 0.00 N ATOM 365 CA LEU A 27 0.700 3.311 4.394 1.00 0.00 C ATOM 366 C LEU A 27 -0.575 2.805 5.062 1.00 0.00 C ATOM 367 O LEU A 27 -0.952 1.645 4.901 1.00 0.00 O ATOM 368 CB LEU A 27 0.638 3.050 2.888 1.00 0.00 C ATOM 369 CG LEU A 27 1.899 3.394 2.096 1.00 0.00 C ATOM 370 CD1 LEU A 27 1.764 2.935 0.652 1.00 0.00 C ATOM 371 CD2 LEU A 27 2.177 4.889 2.158 1.00 0.00 C ATOM 0 H LEU A 27 2.053 1.726 4.631 1.00 0.00 H new ATOM 0 HA LEU A 27 0.778 4.384 4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.411 1.996 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.194 3.620 2.474 1.00 0.00 H new ATOM 0 HG LEU A 27 2.742 2.869 2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.671 3.188 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.614 1.856 0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.910 3.432 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.078 5.115 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.334 5.434 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.318 5.190 3.196 1.00 0.00 H new ATOM 383 N GLU A 28 -1.235 3.684 5.810 1.00 0.00 N ATOM 384 CA GLU A 28 -2.468 3.325 6.501 1.00 0.00 C ATOM 385 C GLU A 28 -3.687 3.835 5.737 1.00 0.00 C ATOM 386 O GLU A 28 -3.620 4.855 5.050 1.00 0.00 O ATOM 387 CB GLU A 28 -2.467 3.895 7.921 1.00 0.00 C ATOM 388 CG GLU A 28 -3.554 3.314 8.810 1.00 0.00 C ATOM 389 CD GLU A 28 -4.026 4.292 9.869 1.00 0.00 C ATOM 390 OE1 GLU A 28 -4.898 5.129 9.558 1.00 0.00 O ATOM 391 OE2 GLU A 28 -3.521 4.219 11.009 1.00 0.00 O ATOM 0 H GLU A 28 -0.937 4.649 5.953 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.522 2.238 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.496 3.707 8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.591 4.977 7.870 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.402 3.015 8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.179 2.413 9.295 1.00 0.00 H new ATOM 398 N CYS A 29 -4.798 3.118 5.863 1.00 0.00 N ATOM 399 CA CYS A 29 -6.033 3.496 5.184 1.00 0.00 C ATOM 400 C CYS A 29 -7.238 2.828 5.837 1.00 0.00 C ATOM 401 O CYS A 29 -7.089 1.956 6.692 1.00 0.00 O ATOM 402 CB CYS A 29 -5.963 3.116 3.704 1.00 0.00 C ATOM 403 SG CYS A 29 -5.992 1.334 3.398 1.00 0.00 S ATOM 0 H CYS A 29 -4.869 2.272 6.429 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.149 4.576 5.268 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.801 3.577 3.181 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.052 3.533 3.275 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.827 0.949 2.968 1.00 0.00 H new ATOM 409 N GLU A 30 -8.433 3.245 5.428 1.00 0.00 N ATOM 410 CA GLU A 30 -9.664 2.688 5.976 1.00 0.00 C ATOM 411 C GLU A 30 -10.662 2.376 4.864 1.00 0.00 C ATOM 412 O GLU A 30 -10.511 2.835 3.732 1.00 0.00 O ATOM 413 CB GLU A 30 -10.289 3.662 6.978 1.00 0.00 C ATOM 414 CG GLU A 30 -9.801 3.464 8.403 1.00 0.00 C ATOM 415 CD GLU A 30 -10.500 4.379 9.390 1.00 0.00 C ATOM 416 OE1 GLU A 30 -10.304 5.609 9.302 1.00 0.00 O ATOM 417 OE2 GLU A 30 -11.244 3.863 10.252 1.00 0.00 O ATOM 0 H GLU A 30 -8.574 3.966 4.720 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.415 1.759 6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.069 4.683 6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.373 3.549 6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.962 2.427 8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.727 3.644 8.444 1.00 0.00 H new ATOM 424 N VAL A 31 -11.681 1.590 5.196 1.00 0.00 N ATOM 425 CA VAL A 31 -12.704 1.215 4.227 1.00 0.00 C ATOM 426 C VAL A 31 -14.103 1.402 4.804 1.00 0.00 C ATOM 427 O VAL A 31 -14.261 1.839 5.944 1.00 0.00 O ATOM 428 CB VAL A 31 -12.539 -0.248 3.773 1.00 0.00 C ATOM 429 CG1 VAL A 31 -11.443 -0.362 2.725 1.00 0.00 C ATOM 430 CG2 VAL A 31 -12.244 -1.144 4.966 1.00 0.00 C ATOM 0 H VAL A 31 -11.820 1.201 6.128 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.579 1.871 3.366 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.474 -0.579 3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.341 -1.403 2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.702 0.249 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.500 -0.014 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.130 -2.174 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.323 -0.816 5.448 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.067 -1.085 5.678 1.00 0.00 H new ATOM 440 N SER A 32 -15.114 1.068 4.010 1.00 0.00 N ATOM 441 CA SER A 32 -16.501 1.202 4.440 1.00 0.00 C ATOM 442 C SER A 32 -16.895 0.057 5.369 1.00 0.00 C ATOM 443 O SER A 32 -17.696 0.236 6.285 1.00 0.00 O ATOM 444 CB SER A 32 -17.433 1.233 3.228 1.00 0.00 C ATOM 445 OG SER A 32 -17.751 -0.078 2.794 1.00 0.00 O ATOM 0 H SER A 32 -14.999 0.702 3.065 1.00 0.00 H new ATOM 0 HA SER A 32 -16.596 2.140 4.987 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.348 1.767 3.483 1.00 0.00 H new ATOM 0 HB3 SER A 32 -16.959 1.783 2.415 1.00 0.00 H new ATOM 0 HG SER A 32 -18.349 -0.030 2.019 1.00 0.00 H new ATOM 451 N GLU A 33 -16.324 -1.118 5.124 1.00 0.00 N ATOM 452 CA GLU A 33 -16.616 -2.292 5.938 1.00 0.00 C ATOM 453 C GLU A 33 -15.477 -2.575 6.913 1.00 0.00 C ATOM 454 O GLU A 33 -14.519 -1.807 7.005 1.00 0.00 O ATOM 455 CB GLU A 33 -16.852 -3.513 5.045 1.00 0.00 C ATOM 456 CG GLU A 33 -18.291 -3.657 4.580 1.00 0.00 C ATOM 457 CD GLU A 33 -19.193 -4.244 5.648 1.00 0.00 C ATOM 458 OE1 GLU A 33 -18.691 -5.016 6.492 1.00 0.00 O ATOM 459 OE2 GLU A 33 -20.402 -3.931 5.641 1.00 0.00 O ATOM 0 H GLU A 33 -15.657 -1.282 4.370 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.520 -2.089 6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.202 -3.446 4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.563 -4.412 5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.673 -2.680 4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -18.321 -4.292 3.695 1.00 0.00 H new ATOM 466 N ASP A 34 -15.589 -3.681 7.640 1.00 0.00 N ATOM 467 CA ASP A 34 -14.570 -4.066 8.609 1.00 0.00 C ATOM 468 C ASP A 34 -13.936 -5.401 8.229 1.00 0.00 C ATOM 469 O ASP A 34 -14.475 -6.145 7.410 1.00 0.00 O ATOM 470 CB ASP A 34 -15.175 -4.155 10.010 1.00 0.00 C ATOM 471 CG ASP A 34 -16.120 -5.332 10.160 1.00 0.00 C ATOM 472 OD1 ASP A 34 -15.699 -6.471 9.870 1.00 0.00 O ATOM 473 OD2 ASP A 34 -17.281 -5.113 10.565 1.00 0.00 O ATOM 0 H ASP A 34 -16.376 -4.327 7.577 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.793 -3.301 8.606 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.374 -4.241 10.744 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.711 -3.232 10.230 1.00 0.00 H new ATOM 478 N ASP A 35 -12.789 -5.698 8.830 1.00 0.00 N ATOM 479 CA ASP A 35 -12.082 -6.943 8.555 1.00 0.00 C ATOM 480 C ASP A 35 -12.172 -7.305 7.076 1.00 0.00 C ATOM 481 O ASP A 35 -12.521 -8.430 6.722 1.00 0.00 O ATOM 482 CB ASP A 35 -12.654 -8.078 9.406 1.00 0.00 C ATOM 483 CG ASP A 35 -11.990 -9.410 9.117 1.00 0.00 C ATOM 484 OD1 ASP A 35 -10.781 -9.415 8.806 1.00 0.00 O ATOM 485 OD2 ASP A 35 -12.680 -10.448 9.200 1.00 0.00 O ATOM 0 H ASP A 35 -12.329 -5.093 9.511 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.032 -6.800 8.812 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.530 -7.835 10.461 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.725 -8.162 9.222 1.00 0.00 H new ATOM 490 N ALA A 36 -11.856 -6.341 6.217 1.00 0.00 N ATOM 491 CA ALA A 36 -11.900 -6.558 4.776 1.00 0.00 C ATOM 492 C ALA A 36 -10.526 -6.940 4.236 1.00 0.00 C ATOM 493 O ALA A 36 -9.552 -7.007 4.984 1.00 0.00 O ATOM 494 CB ALA A 36 -12.420 -5.314 4.071 1.00 0.00 C ATOM 0 H ALA A 36 -11.567 -5.403 6.494 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.581 -7.386 4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.448 -5.490 2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.425 -5.087 4.427 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.761 -4.473 4.284 1.00 0.00 H new ATOM 500 N ASN A 37 -10.456 -7.189 2.932 1.00 0.00 N ATOM 501 CA ASN A 37 -9.201 -7.565 2.292 1.00 0.00 C ATOM 502 C ASN A 37 -8.936 -6.700 1.063 1.00 0.00 C ATOM 503 O ASN A 37 -9.413 -6.996 -0.032 1.00 0.00 O ATOM 504 CB ASN A 37 -9.231 -9.042 1.893 1.00 0.00 C ATOM 505 CG ASN A 37 -7.939 -9.489 1.235 1.00 0.00 C ATOM 506 OD1 ASN A 37 -6.847 -9.158 1.698 1.00 0.00 O ATOM 507 ND2 ASN A 37 -8.059 -10.245 0.150 1.00 0.00 N ATOM 0 H ASN A 37 -11.254 -7.137 2.298 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.395 -7.405 3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.415 -9.651 2.778 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.062 -9.214 1.209 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.225 -10.576 -0.336 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.985 -10.495 -0.198 1.00 0.00 H new ATOM 514 N VAL A 38 -8.172 -5.629 1.254 1.00 0.00 N ATOM 515 CA VAL A 38 -7.842 -4.722 0.161 1.00 0.00 C ATOM 516 C VAL A 38 -6.697 -5.271 -0.682 1.00 0.00 C ATOM 517 O VAL A 38 -5.890 -6.072 -0.209 1.00 0.00 O ATOM 518 CB VAL A 38 -7.454 -3.327 0.688 1.00 0.00 C ATOM 519 CG1 VAL A 38 -8.429 -2.872 1.763 1.00 0.00 C ATOM 520 CG2 VAL A 38 -6.028 -3.336 1.218 1.00 0.00 C ATOM 0 H VAL A 38 -7.770 -5.368 2.155 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.735 -4.634 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.506 -2.618 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.139 -1.885 2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.435 -2.825 1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.413 -3.580 2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.770 -2.343 1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.947 -4.057 2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.344 -3.615 0.417 1.00 0.00 H new ATOM 530 N LYS A 39 -6.631 -4.835 -1.936 1.00 0.00 N ATOM 531 CA LYS A 39 -5.584 -5.281 -2.847 1.00 0.00 C ATOM 532 C LYS A 39 -4.626 -4.140 -3.174 1.00 0.00 C ATOM 533 O LYS A 39 -4.994 -3.185 -3.858 1.00 0.00 O ATOM 534 CB LYS A 39 -6.201 -5.828 -4.137 1.00 0.00 C ATOM 535 CG LYS A 39 -6.818 -7.207 -3.978 1.00 0.00 C ATOM 536 CD LYS A 39 -7.119 -7.842 -5.325 1.00 0.00 C ATOM 537 CE LYS A 39 -7.643 -9.261 -5.168 1.00 0.00 C ATOM 538 NZ LYS A 39 -9.023 -9.284 -4.608 1.00 0.00 N ATOM 0 H LYS A 39 -7.291 -4.173 -2.344 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.022 -6.075 -2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.966 -5.135 -4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.432 -5.870 -4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.139 -7.848 -3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.737 -7.131 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.854 -7.238 -5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.215 -7.852 -5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.636 -9.760 -6.137 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.977 -9.824 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.351 -10.268 -4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.022 -8.846 -3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.661 -8.754 -5.235 1.00 0.00 H new ATOM 552 N TRP A 40 -3.396 -4.248 -2.684 1.00 0.00 N ATOM 553 CA TRP A 40 -2.385 -3.225 -2.926 1.00 0.00 C ATOM 554 C TRP A 40 -1.629 -3.502 -4.221 1.00 0.00 C ATOM 555 O TRP A 40 -1.156 -4.616 -4.449 1.00 0.00 O ATOM 556 CB TRP A 40 -1.405 -3.160 -1.753 1.00 0.00 C ATOM 557 CG TRP A 40 -2.074 -2.938 -0.431 1.00 0.00 C ATOM 558 CD1 TRP A 40 -2.741 -3.866 0.317 1.00 0.00 C ATOM 559 CD2 TRP A 40 -2.144 -1.707 0.298 1.00 0.00 C ATOM 560 NE1 TRP A 40 -3.220 -3.287 1.467 1.00 0.00 N ATOM 561 CE2 TRP A 40 -2.866 -1.964 1.480 1.00 0.00 C ATOM 562 CE3 TRP A 40 -1.663 -0.415 0.069 1.00 0.00 C ATOM 563 CZ2 TRP A 40 -3.120 -0.974 2.426 1.00 0.00 C ATOM 564 CZ3 TRP A 40 -1.916 0.566 1.009 1.00 0.00 C ATOM 565 CH2 TRP A 40 -2.639 0.282 2.176 1.00 0.00 C ATOM 0 H TRP A 40 -3.075 -5.033 -2.117 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.891 -2.264 -3.021 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.836 -4.089 -1.713 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.691 -2.356 -1.930 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.873 -4.903 0.044 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.753 -3.765 2.194 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.104 -0.187 -0.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.677 -1.190 3.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.551 1.568 0.842 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.820 1.070 2.892 1.00 0.00 H new ATOM 576 N PHE A 41 -1.520 -2.483 -5.067 1.00 0.00 N ATOM 577 CA PHE A 41 -0.822 -2.618 -6.340 1.00 0.00 C ATOM 578 C PHE A 41 0.261 -1.553 -6.482 1.00 0.00 C ATOM 579 O PHE A 41 0.055 -0.390 -6.134 1.00 0.00 O ATOM 580 CB PHE A 41 -1.812 -2.512 -7.502 1.00 0.00 C ATOM 581 CG PHE A 41 -2.950 -3.489 -7.411 1.00 0.00 C ATOM 582 CD1 PHE A 41 -4.015 -3.254 -6.556 1.00 0.00 C ATOM 583 CD2 PHE A 41 -2.955 -4.640 -8.181 1.00 0.00 C ATOM 584 CE1 PHE A 41 -5.062 -4.152 -6.470 1.00 0.00 C ATOM 585 CE2 PHE A 41 -4.000 -5.541 -8.100 1.00 0.00 C ATOM 586 CZ PHE A 41 -5.056 -5.296 -7.244 1.00 0.00 C ATOM 0 H PHE A 41 -1.906 -1.555 -4.894 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.348 -3.599 -6.364 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.215 -1.500 -7.535 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.279 -2.674 -8.439 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.027 -2.360 -5.951 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.132 -4.836 -8.853 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.885 -3.959 -5.798 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.991 -6.435 -8.705 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.875 -5.997 -7.180 1.00 0.00 H new ATOM 596 N LYS A 42 1.417 -1.959 -6.995 1.00 0.00 N ATOM 597 CA LYS A 42 2.535 -1.042 -7.185 1.00 0.00 C ATOM 598 C LYS A 42 2.698 -0.679 -8.658 1.00 0.00 C ATOM 599 O LYS A 42 3.251 -1.451 -9.439 1.00 0.00 O ATOM 600 CB LYS A 42 3.829 -1.666 -6.657 1.00 0.00 C ATOM 601 CG LYS A 42 5.075 -0.871 -7.007 1.00 0.00 C ATOM 602 CD LYS A 42 6.282 -1.352 -6.220 1.00 0.00 C ATOM 603 CE LYS A 42 7.549 -0.624 -6.643 1.00 0.00 C ATOM 604 NZ LYS A 42 8.202 -1.279 -7.810 1.00 0.00 N ATOM 0 H LYS A 42 1.605 -2.918 -7.287 1.00 0.00 H new ATOM 0 HA LYS A 42 2.323 -0.131 -6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.761 -1.760 -5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.927 -2.674 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.277 -0.960 -8.075 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.903 0.186 -6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.109 -1.196 -5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.410 -2.424 -6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.308 0.409 -6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.247 -0.594 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.061 -0.753 -8.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.456 -2.257 -7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.546 -1.285 -8.617 1.00 0.00 H new ATOM 618 N ASN A 43 2.212 0.501 -9.029 1.00 0.00 N ATOM 619 CA ASN A 43 2.305 0.966 -10.408 1.00 0.00 C ATOM 620 C ASN A 43 1.442 0.110 -11.330 1.00 0.00 C ATOM 621 O ASN A 43 1.763 -0.074 -12.503 1.00 0.00 O ATOM 622 CB ASN A 43 3.760 0.938 -10.881 1.00 0.00 C ATOM 623 CG ASN A 43 4.693 1.653 -9.923 1.00 0.00 C ATOM 624 OD1 ASN A 43 5.409 1.019 -9.147 1.00 0.00 O ATOM 625 ND2 ASN A 43 4.689 2.980 -9.973 1.00 0.00 N ATOM 0 H ASN A 43 1.750 1.152 -8.394 1.00 0.00 H new ATOM 0 HA ASN A 43 1.938 1.992 -10.445 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.083 -0.097 -10.994 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.828 1.402 -11.865 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.296 3.516 -9.352 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.079 3.464 -10.632 1.00 0.00 H new ATOM 632 N GLY A 44 0.345 -0.411 -10.789 1.00 0.00 N ATOM 633 CA GLY A 44 -0.548 -1.241 -11.577 1.00 0.00 C ATOM 634 C GLY A 44 -0.341 -2.720 -11.321 1.00 0.00 C ATOM 635 O GLY A 44 -1.251 -3.524 -11.523 1.00 0.00 O ATOM 0 H GLY A 44 0.059 -0.273 -9.820 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.581 -0.977 -11.349 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.392 -1.033 -12.636 1.00 0.00 H new ATOM 639 N GLU A 45 0.859 -3.080 -10.875 1.00 0.00 N ATOM 640 CA GLU A 45 1.181 -4.474 -10.594 1.00 0.00 C ATOM 641 C GLU A 45 0.644 -4.892 -9.228 1.00 0.00 C ATOM 642 O GLU A 45 0.517 -4.069 -8.322 1.00 0.00 O ATOM 643 CB GLU A 45 2.695 -4.691 -10.646 1.00 0.00 C ATOM 644 CG GLU A 45 3.278 -4.576 -12.045 1.00 0.00 C ATOM 645 CD GLU A 45 4.786 -4.413 -12.037 1.00 0.00 C ATOM 646 OE1 GLU A 45 5.259 -3.287 -11.776 1.00 0.00 O ATOM 647 OE2 GLU A 45 5.492 -5.410 -12.291 1.00 0.00 O ATOM 0 H GLU A 45 1.623 -2.427 -10.701 1.00 0.00 H new ATOM 0 HA GLU A 45 0.706 -5.091 -11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.181 -3.962 -9.998 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.926 -5.678 -10.245 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.015 -5.465 -12.618 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.827 -3.724 -12.554 1.00 0.00 H new ATOM 654 N GLU A 46 0.330 -6.176 -9.090 1.00 0.00 N ATOM 655 CA GLU A 46 -0.195 -6.702 -7.835 1.00 0.00 C ATOM 656 C GLU A 46 0.938 -7.142 -6.913 1.00 0.00 C ATOM 657 O GLU A 46 1.828 -7.890 -7.319 1.00 0.00 O ATOM 658 CB GLU A 46 -1.134 -7.880 -8.104 1.00 0.00 C ATOM 659 CG GLU A 46 -1.521 -8.649 -6.851 1.00 0.00 C ATOM 660 CD GLU A 46 -2.868 -9.332 -6.979 1.00 0.00 C ATOM 661 OE1 GLU A 46 -3.698 -8.862 -7.785 1.00 0.00 O ATOM 662 OE2 GLU A 46 -3.093 -10.337 -6.273 1.00 0.00 O ATOM 0 H GLU A 46 0.430 -6.870 -9.830 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.753 -5.906 -7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.038 -7.510 -8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.655 -8.563 -8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.757 -9.397 -6.638 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.544 -7.966 -6.002 1.00 0.00 H new ATOM 669 N ILE A 47 0.899 -6.672 -5.671 1.00 0.00 N ATOM 670 CA ILE A 47 1.921 -7.016 -4.691 1.00 0.00 C ATOM 671 C ILE A 47 1.630 -8.366 -4.043 1.00 0.00 C ATOM 672 O ILE A 47 0.493 -8.652 -3.667 1.00 0.00 O ATOM 673 CB ILE A 47 2.031 -5.944 -3.591 1.00 0.00 C ATOM 674 CG1 ILE A 47 2.463 -4.606 -4.193 1.00 0.00 C ATOM 675 CG2 ILE A 47 3.010 -6.388 -2.514 1.00 0.00 C ATOM 676 CD1 ILE A 47 2.639 -3.510 -3.166 1.00 0.00 C ATOM 0 H ILE A 47 0.170 -6.051 -5.319 1.00 0.00 H new ATOM 0 HA ILE A 47 2.867 -7.071 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 47 1.051 -5.814 -3.132 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.402 -4.744 -4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.721 -4.290 -4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.077 -5.620 -1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.662 -7.320 -2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.993 -6.543 -2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.946 -2.590 -3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.696 -3.344 -2.646 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.403 -3.805 -2.446 1.00 0.00 H new ATOM 688 N ILE A 48 2.664 -9.190 -3.915 1.00 0.00 N ATOM 689 CA ILE A 48 2.518 -10.508 -3.310 1.00 0.00 C ATOM 690 C ILE A 48 3.417 -10.653 -2.086 1.00 0.00 C ATOM 691 O ILE A 48 4.568 -11.080 -2.178 1.00 0.00 O ATOM 692 CB ILE A 48 2.852 -11.628 -4.313 1.00 0.00 C ATOM 693 CG1 ILE A 48 2.018 -11.467 -5.586 1.00 0.00 C ATOM 694 CG2 ILE A 48 2.610 -12.992 -3.684 1.00 0.00 C ATOM 695 CD1 ILE A 48 0.536 -11.678 -5.369 1.00 0.00 C ATOM 0 H ILE A 48 3.611 -8.969 -4.222 1.00 0.00 H new ATOM 0 HA ILE A 48 1.475 -10.602 -3.006 1.00 0.00 H new ATOM 0 HB ILE A 48 3.906 -11.555 -4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.179 -10.468 -5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.372 -12.176 -6.334 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.851 -13.773 -4.405 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.243 -13.104 -2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.563 -13.078 -3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.008 -11.548 -6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.363 -12.686 -4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.167 -10.952 -4.645 1.00 0.00 H new ATOM 707 N PRO A 49 2.880 -10.292 -0.912 1.00 0.00 N ATOM 708 CA PRO A 49 3.615 -10.375 0.354 1.00 0.00 C ATOM 709 C PRO A 49 3.851 -11.815 0.794 1.00 0.00 C ATOM 710 O PRO A 49 3.498 -12.757 0.085 1.00 0.00 O ATOM 711 CB PRO A 49 2.696 -9.656 1.345 1.00 0.00 C ATOM 712 CG PRO A 49 1.332 -9.792 0.764 1.00 0.00 C ATOM 713 CD PRO A 49 1.514 -9.774 -0.729 1.00 0.00 C ATOM 0 HA PRO A 49 4.609 -9.935 0.278 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.751 -10.108 2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.976 -8.609 1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.860 -10.720 1.088 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.687 -8.976 1.088 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.776 -10.400 -1.231 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.408 -8.768 -1.135 1.00 0.00 H new ATOM 721 N GLY A 50 4.449 -11.980 1.970 1.00 0.00 N ATOM 722 CA GLY A 50 4.721 -13.310 2.484 1.00 0.00 C ATOM 723 C GLY A 50 5.891 -13.331 3.447 1.00 0.00 C ATOM 724 O GLY A 50 6.443 -12.292 3.810 1.00 0.00 O ATOM 0 H GLY A 50 4.750 -11.217 2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.833 -13.690 2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.927 -13.983 1.652 1.00 0.00 H new ATOM 775 N ARG A 54 8.962 -8.562 0.275 1.00 0.00 N ATOM 776 CA ARG A 54 9.420 -7.328 0.901 1.00 0.00 C ATOM 777 C ARG A 54 8.242 -6.522 1.441 1.00 0.00 C ATOM 778 O ARG A 54 8.416 -5.628 2.269 1.00 0.00 O ATOM 779 CB ARG A 54 10.211 -6.486 -0.101 1.00 0.00 C ATOM 780 CG ARG A 54 11.670 -6.895 -0.223 1.00 0.00 C ATOM 781 CD ARG A 54 12.396 -6.066 -1.271 1.00 0.00 C ATOM 782 NE ARG A 54 13.825 -6.361 -1.309 1.00 0.00 N ATOM 783 CZ ARG A 54 14.626 -5.994 -2.304 1.00 0.00 C ATOM 784 NH1 ARG A 54 14.138 -5.323 -3.338 1.00 0.00 N ATOM 785 NH2 ARG A 54 15.916 -6.300 -2.266 1.00 0.00 N ATOM 0 HA ARG A 54 10.069 -7.593 1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.738 -6.562 -1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.160 -5.439 0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.164 -6.777 0.742 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.732 -7.951 -0.486 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.960 -6.259 -2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.250 -5.007 -1.060 1.00 0.00 H new ATOM 0 HE ARG A 54 14.231 -6.877 -0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.146 -5.087 -3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.754 -5.042 -4.101 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.294 -6.818 -1.473 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.530 -6.018 -3.030 1.00 0.00 H new ATOM 799 N TYR A 55 7.044 -6.844 0.966 1.00 0.00 N ATOM 800 CA TYR A 55 5.838 -6.149 1.398 1.00 0.00 C ATOM 801 C TYR A 55 5.027 -7.012 2.360 1.00 0.00 C ATOM 802 O TYR A 55 5.002 -8.237 2.242 1.00 0.00 O ATOM 803 CB TYR A 55 4.982 -5.770 0.188 1.00 0.00 C ATOM 804 CG TYR A 55 5.758 -5.083 -0.912 1.00 0.00 C ATOM 805 CD1 TYR A 55 6.444 -5.820 -1.869 1.00 0.00 C ATOM 806 CD2 TYR A 55 5.805 -3.697 -0.995 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.156 -5.197 -2.876 1.00 0.00 C ATOM 808 CE2 TYR A 55 6.512 -3.065 -2.000 1.00 0.00 C ATOM 809 CZ TYR A 55 7.186 -3.819 -2.937 1.00 0.00 C ATOM 810 OH TYR A 55 7.893 -3.194 -3.939 1.00 0.00 O ATOM 0 H TYR A 55 6.882 -7.582 0.281 1.00 0.00 H new ATOM 0 HA TYR A 55 6.139 -5.241 1.920 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.518 -6.670 -0.214 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.175 -5.115 0.516 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.420 -6.899 -1.825 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.280 -3.103 -0.261 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.686 -5.785 -3.611 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.536 -1.986 -2.051 1.00 0.00 H new ATOM 0 HH TYR A 55 7.812 -2.222 -3.840 1.00 0.00 H new ATOM 820 N ARG A 56 4.364 -6.362 3.311 1.00 0.00 N ATOM 821 CA ARG A 56 3.551 -7.068 4.294 1.00 0.00 C ATOM 822 C ARG A 56 2.219 -6.357 4.510 1.00 0.00 C ATOM 823 O ARG A 56 2.167 -5.284 5.112 1.00 0.00 O ATOM 824 CB ARG A 56 4.303 -7.181 5.622 1.00 0.00 C ATOM 825 CG ARG A 56 5.737 -7.661 5.472 1.00 0.00 C ATOM 826 CD ARG A 56 6.630 -7.102 6.568 1.00 0.00 C ATOM 827 NE ARG A 56 6.416 -7.777 7.846 1.00 0.00 N ATOM 828 CZ ARG A 56 6.875 -7.318 9.005 1.00 0.00 C ATOM 829 NH1 ARG A 56 7.569 -6.189 9.047 1.00 0.00 N ATOM 830 NH2 ARG A 56 6.639 -7.989 10.125 1.00 0.00 N ATOM 0 H ARG A 56 4.374 -5.348 3.422 1.00 0.00 H new ATOM 0 HA ARG A 56 3.350 -8.069 3.911 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.304 -6.208 6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.766 -7.867 6.277 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.762 -8.750 5.501 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.123 -7.359 4.498 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.674 -7.206 6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.437 -6.036 6.684 1.00 0.00 H new ATOM 0 HE ARG A 56 5.885 -8.648 7.848 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.752 -5.670 8.188 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.920 -5.839 9.938 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.105 -8.858 10.096 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.992 -7.636 11.015 1.00 0.00 H new ATOM 844 N ILE A 57 1.144 -6.962 4.015 1.00 0.00 N ATOM 845 CA ILE A 57 -0.188 -6.387 4.155 1.00 0.00 C ATOM 846 C ILE A 57 -0.875 -6.892 5.419 1.00 0.00 C ATOM 847 O ILE A 57 -1.074 -8.095 5.591 1.00 0.00 O ATOM 848 CB ILE A 57 -1.072 -6.713 2.937 1.00 0.00 C ATOM 849 CG1 ILE A 57 -0.410 -6.217 1.650 1.00 0.00 C ATOM 850 CG2 ILE A 57 -2.451 -6.093 3.103 1.00 0.00 C ATOM 851 CD1 ILE A 57 -1.033 -6.783 0.393 1.00 0.00 C ATOM 0 H ILE A 57 1.170 -7.850 3.514 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.060 -5.307 4.222 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.187 -7.795 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.469 -5.129 1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.648 -6.479 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.064 -6.332 2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.923 -6.491 4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.355 -5.011 3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.513 -6.388 -0.480 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.951 -7.870 0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.084 -6.499 0.349 1.00 0.00 H new ATOM 863 N ARG A 58 -1.237 -5.965 6.299 1.00 0.00 N ATOM 864 CA ARG A 58 -1.904 -6.316 7.548 1.00 0.00 C ATOM 865 C ARG A 58 -3.236 -5.584 7.678 1.00 0.00 C ATOM 866 O ARG A 58 -3.355 -4.418 7.302 1.00 0.00 O ATOM 867 CB ARG A 58 -1.007 -5.981 8.741 1.00 0.00 C ATOM 868 CG ARG A 58 -1.700 -6.134 10.085 1.00 0.00 C ATOM 869 CD ARG A 58 -1.106 -5.199 11.127 1.00 0.00 C ATOM 870 NE ARG A 58 -1.285 -5.708 12.485 1.00 0.00 N ATOM 871 CZ ARG A 58 -0.533 -6.665 13.015 1.00 0.00 C ATOM 872 NH1 ARG A 58 0.444 -7.215 12.307 1.00 0.00 N ATOM 873 NH2 ARG A 58 -0.757 -7.075 14.257 1.00 0.00 N ATOM 0 H ARG A 58 -1.080 -4.965 6.171 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.099 -7.388 7.538 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.130 -6.628 8.718 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.650 -4.956 8.640 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.764 -5.927 9.973 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.611 -7.165 10.427 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.043 -5.063 10.928 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.574 -4.218 11.043 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.028 -5.306 13.057 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.620 -6.903 11.352 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.020 -7.950 12.717 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.507 -6.655 14.805 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.179 -7.810 14.663 1.00 0.00 H new ATOM 887 N VAL A 59 -4.237 -6.277 8.212 1.00 0.00 N ATOM 888 CA VAL A 59 -5.560 -5.693 8.392 1.00 0.00 C ATOM 889 C VAL A 59 -5.915 -5.580 9.871 1.00 0.00 C ATOM 890 O VAL A 59 -5.840 -6.559 10.613 1.00 0.00 O ATOM 891 CB VAL A 59 -6.643 -6.524 7.678 1.00 0.00 C ATOM 892 CG1 VAL A 59 -6.618 -7.965 8.166 1.00 0.00 C ATOM 893 CG2 VAL A 59 -8.016 -5.905 7.889 1.00 0.00 C ATOM 0 H VAL A 59 -4.156 -7.244 8.527 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.528 -4.696 7.952 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.431 -6.523 6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.390 -8.537 7.651 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.642 -8.403 7.958 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.805 -7.989 9.240 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.768 -6.505 7.378 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.241 -5.873 8.955 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.024 -4.892 7.486 1.00 0.00 H new ATOM 903 N GLU A 60 -6.301 -4.380 10.291 1.00 0.00 N ATOM 904 CA GLU A 60 -6.667 -4.140 11.682 1.00 0.00 C ATOM 905 C GLU A 60 -8.008 -3.418 11.775 1.00 0.00 C ATOM 906 O GLU A 60 -8.135 -2.264 11.367 1.00 0.00 O ATOM 907 CB GLU A 60 -5.584 -3.317 12.383 1.00 0.00 C ATOM 908 CG GLU A 60 -4.491 -4.163 13.014 1.00 0.00 C ATOM 909 CD GLU A 60 -5.006 -5.035 14.143 1.00 0.00 C ATOM 910 OE1 GLU A 60 -5.034 -4.557 15.296 1.00 0.00 O ATOM 911 OE2 GLU A 60 -5.382 -6.195 13.872 1.00 0.00 O ATOM 0 H GLU A 60 -6.368 -3.559 9.689 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.758 -5.106 12.178 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.133 -2.635 11.662 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.048 -2.703 13.155 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.039 -4.795 12.249 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.705 -3.510 13.394 1.00 0.00 H new ATOM 918 N GLY A 61 -9.009 -4.108 12.315 1.00 0.00 N ATOM 919 CA GLY A 61 -10.328 -3.518 12.452 1.00 0.00 C ATOM 920 C GLY A 61 -10.907 -3.079 11.121 1.00 0.00 C ATOM 921 O GLY A 61 -11.303 -3.910 10.303 1.00 0.00 O ATOM 0 H GLY A 61 -8.930 -5.065 12.660 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.999 -4.240 12.917 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.271 -2.659 13.121 1.00 0.00 H new ATOM 925 N LYS A 62 -10.960 -1.770 10.904 1.00 0.00 N ATOM 926 CA LYS A 62 -11.495 -1.220 9.664 1.00 0.00 C ATOM 927 C LYS A 62 -10.442 -0.390 8.937 1.00 0.00 C ATOM 928 O LYS A 62 -10.767 0.430 8.078 1.00 0.00 O ATOM 929 CB LYS A 62 -12.727 -0.360 9.954 1.00 0.00 C ATOM 930 CG LYS A 62 -13.834 -1.107 10.678 1.00 0.00 C ATOM 931 CD LYS A 62 -14.921 -0.161 11.161 1.00 0.00 C ATOM 932 CE LYS A 62 -15.979 0.063 10.091 1.00 0.00 C ATOM 933 NZ LYS A 62 -17.284 0.476 10.679 1.00 0.00 N ATOM 0 H LYS A 62 -10.639 -1.069 11.572 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.783 -2.052 9.021 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.427 0.499 10.554 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.118 0.029 9.014 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.268 -1.852 10.011 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.415 -1.646 11.528 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.389 -0.569 12.057 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.476 0.794 11.440 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.636 0.829 9.395 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.113 -0.853 9.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.978 0.619 9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.625 -0.266 11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.162 1.364 11.207 1.00 0.00 H new ATOM 947 N LYS A 63 -9.179 -0.610 9.285 1.00 0.00 N ATOM 948 CA LYS A 63 -8.077 0.115 8.664 1.00 0.00 C ATOM 949 C LYS A 63 -6.931 -0.830 8.314 1.00 0.00 C ATOM 950 O LYS A 63 -6.566 -1.698 9.108 1.00 0.00 O ATOM 951 CB LYS A 63 -7.574 1.219 9.598 1.00 0.00 C ATOM 952 CG LYS A 63 -6.502 0.753 10.568 1.00 0.00 C ATOM 953 CD LYS A 63 -6.537 1.549 11.861 1.00 0.00 C ATOM 954 CE LYS A 63 -7.712 1.140 12.736 1.00 0.00 C ATOM 955 NZ LYS A 63 -7.530 1.577 14.148 1.00 0.00 N ATOM 0 H LYS A 63 -8.893 -1.285 9.994 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.446 0.566 7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.178 2.038 8.998 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.416 1.616 10.164 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.643 -0.305 10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.521 0.854 10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.606 1.399 12.407 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.605 2.613 11.633 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.630 1.572 12.337 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.830 0.057 12.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.352 1.280 14.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.668 1.144 14.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.443 2.613 14.182 1.00 0.00 H new ATOM 969 N HIS A 64 -6.368 -0.655 7.123 1.00 0.00 N ATOM 970 CA HIS A 64 -5.262 -1.492 6.671 1.00 0.00 C ATOM 971 C HIS A 64 -3.934 -0.750 6.792 1.00 0.00 C ATOM 972 O HIS A 64 -3.906 0.473 6.932 1.00 0.00 O ATOM 973 CB HIS A 64 -5.485 -1.928 5.222 1.00 0.00 C ATOM 974 CG HIS A 64 -6.609 -2.904 5.057 1.00 0.00 C ATOM 975 ND1 HIS A 64 -6.434 -4.174 4.548 1.00 0.00 N ATOM 976 CD2 HIS A 64 -7.928 -2.792 5.339 1.00 0.00 C ATOM 977 CE1 HIS A 64 -7.598 -4.799 4.522 1.00 0.00 C ATOM 978 NE2 HIS A 64 -8.521 -3.982 4.997 1.00 0.00 N ATOM 0 H HIS A 64 -6.659 0.058 6.454 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.224 -2.376 7.308 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.687 -1.047 4.613 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.567 -2.375 4.840 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.422 -1.927 5.756 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.766 -5.807 4.172 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.513 -4.200 5.094 1.00 0.00 H new ATOM 987 N ILE A 65 -2.837 -1.498 6.739 1.00 0.00 N ATOM 988 CA ILE A 65 -1.507 -0.911 6.843 1.00 0.00 C ATOM 989 C ILE A 65 -0.501 -1.674 5.989 1.00 0.00 C ATOM 990 O ILE A 65 -0.233 -2.852 6.230 1.00 0.00 O ATOM 991 CB ILE A 65 -1.014 -0.889 8.302 1.00 0.00 C ATOM 992 CG1 ILE A 65 -1.966 -0.068 9.173 1.00 0.00 C ATOM 993 CG2 ILE A 65 0.398 -0.327 8.375 1.00 0.00 C ATOM 994 CD1 ILE A 65 -3.082 -0.885 9.786 1.00 0.00 C ATOM 0 H ILE A 65 -2.843 -2.512 6.625 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.585 0.114 6.479 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.997 -1.911 8.680 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.396 0.409 9.970 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.400 0.730 8.570 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.733 -0.318 9.412 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.069 -0.950 7.783 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.406 0.690 7.982 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.717 -0.237 10.390 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.677 -1.341 8.994 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.657 -1.667 10.416 1.00 0.00 H new ATOM 1006 N LEU A 66 0.055 -0.996 4.992 1.00 0.00 N ATOM 1007 CA LEU A 66 1.035 -1.610 4.102 1.00 0.00 C ATOM 1008 C LEU A 66 2.449 -1.165 4.459 1.00 0.00 C ATOM 1009 O LEU A 66 2.844 -0.032 4.179 1.00 0.00 O ATOM 1010 CB LEU A 66 0.727 -1.250 2.647 1.00 0.00 C ATOM 1011 CG LEU A 66 1.746 -1.722 1.609 1.00 0.00 C ATOM 1012 CD1 LEU A 66 1.686 -3.234 1.451 1.00 0.00 C ATOM 1013 CD2 LEU A 66 1.505 -1.034 0.273 1.00 0.00 C ATOM 0 H LEU A 66 -0.155 -0.021 4.779 1.00 0.00 H new ATOM 0 HA LEU A 66 0.973 -2.691 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.246 -1.668 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.638 -0.166 2.573 1.00 0.00 H new ATOM 0 HG LEU A 66 2.743 -1.453 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.418 -3.552 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.909 -3.709 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.688 -3.526 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.239 -1.382 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.502 -1.271 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.600 0.045 0.397 1.00 0.00 H new ATOM 1025 N ILE A 67 3.208 -2.063 5.077 1.00 0.00 N ATOM 1026 CA ILE A 67 4.580 -1.764 5.470 1.00 0.00 C ATOM 1027 C ILE A 67 5.571 -2.251 4.419 1.00 0.00 C ATOM 1028 O ILE A 67 5.397 -3.322 3.836 1.00 0.00 O ATOM 1029 CB ILE A 67 4.930 -2.405 6.826 1.00 0.00 C ATOM 1030 CG1 ILE A 67 6.373 -2.075 7.213 1.00 0.00 C ATOM 1031 CG2 ILE A 67 4.722 -3.911 6.769 1.00 0.00 C ATOM 1032 CD1 ILE A 67 7.386 -3.049 6.654 1.00 0.00 C ATOM 0 H ILE A 67 2.896 -3.004 5.317 1.00 0.00 H new ATOM 0 HA ILE A 67 4.653 -0.680 5.560 1.00 0.00 H new ATOM 0 HB ILE A 67 4.267 -1.995 7.588 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.614 -1.071 6.863 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.455 -2.062 8.300 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.973 -4.350 7.735 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.680 -4.126 6.533 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.364 -4.338 5.998 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.387 -2.753 6.968 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.170 -4.051 7.025 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.332 -3.046 5.565 1.00 0.00 H new ATOM 1044 N ILE A 68 6.611 -1.459 4.182 1.00 0.00 N ATOM 1045 CA ILE A 68 7.632 -1.812 3.203 1.00 0.00 C ATOM 1046 C ILE A 68 9.023 -1.795 3.829 1.00 0.00 C ATOM 1047 O ILE A 68 9.592 -0.731 4.070 1.00 0.00 O ATOM 1048 CB ILE A 68 7.612 -0.853 1.998 1.00 0.00 C ATOM 1049 CG1 ILE A 68 6.171 -0.564 1.573 1.00 0.00 C ATOM 1050 CG2 ILE A 68 8.404 -1.441 0.840 1.00 0.00 C ATOM 1051 CD1 ILE A 68 6.058 0.499 0.503 1.00 0.00 C ATOM 0 H ILE A 68 6.769 -0.569 4.654 1.00 0.00 H new ATOM 0 HA ILE A 68 7.403 -2.820 2.858 1.00 0.00 H new ATOM 0 HB ILE A 68 8.080 0.087 2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.717 -1.485 1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.599 -0.251 2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.381 -0.752 -0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.437 -1.601 1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.963 -2.393 0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.009 0.652 0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.482 1.433 0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.602 0.180 -0.386 1.00 0.00 H new ATOM 1063 N GLU A 69 9.564 -2.981 4.088 1.00 0.00 N ATOM 1064 CA GLU A 69 10.889 -3.102 4.684 1.00 0.00 C ATOM 1065 C GLU A 69 11.975 -2.744 3.674 1.00 0.00 C ATOM 1066 O GLU A 69 12.299 -3.533 2.788 1.00 0.00 O ATOM 1067 CB GLU A 69 11.110 -4.523 5.205 1.00 0.00 C ATOM 1068 CG GLU A 69 10.659 -4.722 6.643 1.00 0.00 C ATOM 1069 CD GLU A 69 10.812 -6.157 7.109 1.00 0.00 C ATOM 1070 OE1 GLU A 69 10.665 -7.072 6.273 1.00 0.00 O ATOM 1071 OE2 GLU A 69 11.080 -6.363 8.312 1.00 0.00 O ATOM 0 H GLU A 69 9.105 -3.871 3.895 1.00 0.00 H new ATOM 0 HA GLU A 69 10.949 -2.403 5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.573 -5.223 4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.169 -4.768 5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.238 -4.068 7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.615 -4.423 6.737 1.00 0.00 H new ATOM 1078 N GLY A 70 12.534 -1.546 3.815 1.00 0.00 N ATOM 1079 CA GLY A 70 13.577 -1.103 2.908 1.00 0.00 C ATOM 1080 C GLY A 70 13.025 -0.362 1.707 1.00 0.00 C ATOM 1081 O GLY A 70 12.835 -0.948 0.642 1.00 0.00 O ATOM 0 H GLY A 70 12.283 -0.875 4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.269 -0.454 3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.148 -1.966 2.567 1.00 0.00 H new ATOM 1085 N ALA A 71 12.766 0.930 1.878 1.00 0.00 N ATOM 1086 CA ALA A 71 12.232 1.752 0.799 1.00 0.00 C ATOM 1087 C ALA A 71 13.355 2.378 -0.021 1.00 0.00 C ATOM 1088 O ALA A 71 13.828 3.473 0.288 1.00 0.00 O ATOM 1089 CB ALA A 71 11.320 2.833 1.360 1.00 0.00 C ATOM 0 H ALA A 71 12.917 1.430 2.754 1.00 0.00 H new ATOM 0 HA ALA A 71 11.650 1.108 0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.929 3.439 0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.492 2.369 1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.885 3.467 2.044 1.00 0.00 H new ATOM 1095 N THR A 72 13.780 1.677 -1.067 1.00 0.00 N ATOM 1096 CA THR A 72 14.848 2.163 -1.930 1.00 0.00 C ATOM 1097 C THR A 72 14.302 3.078 -3.021 1.00 0.00 C ATOM 1098 O THR A 72 13.109 3.055 -3.324 1.00 0.00 O ATOM 1099 CB THR A 72 15.613 0.999 -2.588 1.00 0.00 C ATOM 1100 OG1 THR A 72 15.592 -0.148 -1.731 1.00 0.00 O ATOM 1101 CG2 THR A 72 17.053 1.393 -2.880 1.00 0.00 C ATOM 0 H THR A 72 13.400 0.770 -1.337 1.00 0.00 H new ATOM 0 HA THR A 72 15.533 2.727 -1.296 1.00 0.00 H new ATOM 0 HB THR A 72 15.121 0.758 -3.530 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.079 -0.884 -2.157 1.00 0.00 H new ATOM 0 HG21 THR A 72 17.573 0.555 -3.344 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.066 2.248 -3.556 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.553 1.659 -1.949 1.00 0.00 H new ATOM 1109 N LYS A 73 15.181 3.882 -3.608 1.00 0.00 N ATOM 1110 CA LYS A 73 14.788 4.804 -4.667 1.00 0.00 C ATOM 1111 C LYS A 73 13.741 4.171 -5.578 1.00 0.00 C ATOM 1112 O LYS A 73 12.722 4.786 -5.889 1.00 0.00 O ATOM 1113 CB LYS A 73 16.010 5.220 -5.489 1.00 0.00 C ATOM 1114 CG LYS A 73 16.759 6.406 -4.906 1.00 0.00 C ATOM 1115 CD LYS A 73 16.102 7.722 -5.286 1.00 0.00 C ATOM 1116 CE LYS A 73 16.708 8.889 -4.521 1.00 0.00 C ATOM 1117 NZ LYS A 73 18.064 9.239 -5.027 1.00 0.00 N ATOM 0 H LYS A 73 16.172 3.914 -3.368 1.00 0.00 H new ATOM 0 HA LYS A 73 14.353 5.688 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.691 4.373 -5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.690 5.465 -6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.795 6.317 -3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.789 6.397 -5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.214 7.890 -6.357 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.033 7.668 -5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.054 9.757 -4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.769 8.637 -3.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.443 10.038 -4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.695 8.419 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.002 9.504 -6.031 1.00 0.00 H new ATOM 1131 N ALA A 74 13.999 2.938 -6.001 1.00 0.00 N ATOM 1132 CA ALA A 74 13.077 2.221 -6.873 1.00 0.00 C ATOM 1133 C ALA A 74 11.710 2.062 -6.216 1.00 0.00 C ATOM 1134 O ALA A 74 10.679 2.318 -6.838 1.00 0.00 O ATOM 1135 CB ALA A 74 13.649 0.859 -7.241 1.00 0.00 C ATOM 0 H ALA A 74 14.839 2.415 -5.754 1.00 0.00 H new ATOM 0 HA ALA A 74 12.948 2.807 -7.783 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.950 0.335 -7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.599 0.991 -7.759 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.809 0.275 -6.335 1.00 0.00 H new ATOM 1141 N ASP A 75 11.710 1.639 -4.957 1.00 0.00 N ATOM 1142 CA ASP A 75 10.469 1.447 -4.215 1.00 0.00 C ATOM 1143 C ASP A 75 9.523 2.625 -4.424 1.00 0.00 C ATOM 1144 O ASP A 75 8.314 2.445 -4.568 1.00 0.00 O ATOM 1145 CB ASP A 75 10.763 1.272 -2.725 1.00 0.00 C ATOM 1146 CG ASP A 75 11.585 0.030 -2.439 1.00 0.00 C ATOM 1147 OD1 ASP A 75 12.584 -0.198 -3.153 1.00 0.00 O ATOM 1148 OD2 ASP A 75 11.231 -0.712 -1.500 1.00 0.00 O ATOM 0 H ASP A 75 12.555 1.422 -4.429 1.00 0.00 H new ATOM 0 HA ASP A 75 9.986 0.545 -4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.295 2.149 -2.357 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.823 1.216 -2.176 1.00 0.00 H new ATOM 1153 N ALA A 76 10.082 3.831 -4.440 1.00 0.00 N ATOM 1154 CA ALA A 76 9.288 5.038 -4.633 1.00 0.00 C ATOM 1155 C ALA A 76 8.406 4.924 -5.871 1.00 0.00 C ATOM 1156 O ALA A 76 8.850 5.189 -6.988 1.00 0.00 O ATOM 1157 CB ALA A 76 10.196 6.255 -4.740 1.00 0.00 C ATOM 0 H ALA A 76 11.081 3.998 -4.322 1.00 0.00 H new ATOM 0 HA ALA A 76 8.638 5.157 -3.766 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.590 7.150 -4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.779 6.355 -3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.870 6.133 -5.588 1.00 0.00 H new ATOM 1163 N ALA A 77 7.155 4.525 -5.666 1.00 0.00 N ATOM 1164 CA ALA A 77 6.210 4.377 -6.766 1.00 0.00 C ATOM 1165 C ALA A 77 4.787 4.684 -6.312 1.00 0.00 C ATOM 1166 O ALA A 77 4.526 4.837 -5.120 1.00 0.00 O ATOM 1167 CB ALA A 77 6.290 2.972 -7.344 1.00 0.00 C ATOM 0 H ALA A 77 6.772 4.298 -4.748 1.00 0.00 H new ATOM 0 HA ALA A 77 6.478 5.094 -7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.579 2.875 -8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.299 2.788 -7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.050 2.245 -6.568 1.00 0.00 H new ATOM 1173 N GLU A 78 3.871 4.773 -7.272 1.00 0.00 N ATOM 1174 CA GLU A 78 2.475 5.064 -6.969 1.00 0.00 C ATOM 1175 C GLU A 78 1.746 3.807 -6.503 1.00 0.00 C ATOM 1176 O GLU A 78 1.342 2.973 -7.314 1.00 0.00 O ATOM 1177 CB GLU A 78 1.774 5.646 -8.199 1.00 0.00 C ATOM 1178 CG GLU A 78 0.334 6.058 -7.941 1.00 0.00 C ATOM 1179 CD GLU A 78 -0.248 6.885 -9.071 1.00 0.00 C ATOM 1180 OE1 GLU A 78 0.394 7.879 -9.471 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -1.345 6.537 -9.556 1.00 0.00 O ATOM 0 H GLU A 78 4.071 4.648 -8.264 1.00 0.00 H new ATOM 0 HA GLU A 78 2.450 5.798 -6.163 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.334 6.513 -8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.794 4.908 -9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.275 5.165 -7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.284 6.630 -7.014 1.00 0.00 H new ATOM 1188 N TYR A 79 1.582 3.677 -5.191 1.00 0.00 N ATOM 1189 CA TYR A 79 0.905 2.521 -4.616 1.00 0.00 C ATOM 1190 C TYR A 79 -0.603 2.744 -4.562 1.00 0.00 C ATOM 1191 O TYR A 79 -1.092 3.579 -3.800 1.00 0.00 O ATOM 1192 CB TYR A 79 1.440 2.238 -3.211 1.00 0.00 C ATOM 1193 CG TYR A 79 2.902 1.852 -3.187 1.00 0.00 C ATOM 1194 CD1 TYR A 79 3.897 2.819 -3.267 1.00 0.00 C ATOM 1195 CD2 TYR A 79 3.289 0.522 -3.084 1.00 0.00 C ATOM 1196 CE1 TYR A 79 5.234 2.472 -3.246 1.00 0.00 C ATOM 1197 CE2 TYR A 79 4.623 0.166 -3.060 1.00 0.00 C ATOM 1198 CZ TYR A 79 5.592 1.144 -3.141 1.00 0.00 C ATOM 1199 OH TYR A 79 6.922 0.793 -3.120 1.00 0.00 O ATOM 0 H TYR A 79 1.909 4.358 -4.506 1.00 0.00 H new ATOM 0 HA TYR A 79 1.104 1.660 -5.254 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.296 3.123 -2.591 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.854 1.436 -2.763 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.620 3.860 -3.347 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.533 -0.247 -3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.995 3.236 -3.311 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.906 -0.873 -2.978 1.00 0.00 H new ATOM 0 HH TYR A 79 7.444 1.460 -3.612 1.00 0.00 H new ATOM 1209 N SER A 80 -1.336 1.991 -5.376 1.00 0.00 N ATOM 1210 CA SER A 80 -2.788 2.107 -5.425 1.00 0.00 C ATOM 1211 C SER A 80 -3.452 0.825 -4.930 1.00 0.00 C ATOM 1212 O SER A 80 -3.035 -0.279 -5.279 1.00 0.00 O ATOM 1213 CB SER A 80 -3.249 2.415 -6.851 1.00 0.00 C ATOM 1214 OG SER A 80 -2.609 3.575 -7.354 1.00 0.00 O ATOM 0 H SER A 80 -0.947 1.294 -6.011 1.00 0.00 H new ATOM 0 HA SER A 80 -3.084 2.926 -4.770 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.031 1.566 -7.499 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.330 2.557 -6.865 1.00 0.00 H new ATOM 0 HG SER A 80 -2.858 3.705 -8.293 1.00 0.00 H new ATOM 1220 N VAL A 81 -4.490 0.981 -4.114 1.00 0.00 N ATOM 1221 CA VAL A 81 -5.214 -0.162 -3.571 1.00 0.00 C ATOM 1222 C VAL A 81 -6.495 -0.424 -4.355 1.00 0.00 C ATOM 1223 O VAL A 81 -6.934 0.413 -5.143 1.00 0.00 O ATOM 1224 CB VAL A 81 -5.568 0.052 -2.087 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -4.396 0.671 -1.342 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -6.812 0.918 -1.956 1.00 0.00 C ATOM 0 H VAL A 81 -4.848 1.888 -3.815 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.555 -1.026 -3.659 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.780 -0.918 -1.638 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.665 0.815 -0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.533 0.009 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.149 1.634 -1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.048 1.059 -0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.631 1.887 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.650 0.429 -2.453 1.00 0.00 H new ATOM 1236 N MET A 82 -7.090 -1.591 -4.133 1.00 0.00 N ATOM 1237 CA MET A 82 -8.322 -1.963 -4.818 1.00 0.00 C ATOM 1238 C MET A 82 -9.157 -2.908 -3.959 1.00 0.00 C ATOM 1239 O MET A 82 -8.755 -4.042 -3.694 1.00 0.00 O ATOM 1240 CB MET A 82 -8.005 -2.622 -6.161 1.00 0.00 C ATOM 1241 CG MET A 82 -9.076 -2.398 -7.216 1.00 0.00 C ATOM 1242 SD MET A 82 -9.041 -3.645 -8.519 1.00 0.00 S ATOM 1243 CE MET A 82 -8.097 -2.791 -9.779 1.00 0.00 C ATOM 0 H MET A 82 -6.739 -2.295 -3.484 1.00 0.00 H new ATOM 0 HA MET A 82 -8.899 -1.055 -4.995 1.00 0.00 H new ATOM 0 HB2 MET A 82 -7.056 -2.235 -6.531 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.875 -3.693 -6.009 1.00 0.00 H new ATOM 0 HG2 MET A 82 -10.056 -2.404 -6.740 1.00 0.00 H new ATOM 0 HG3 MET A 82 -8.943 -1.411 -7.659 1.00 0.00 H new ATOM 0 HE1 MET A 82 -7.989 -3.435 -10.652 1.00 0.00 H new ATOM 0 HE2 MET A 82 -8.616 -1.876 -10.065 1.00 0.00 H new ATOM 0 HE3 MET A 82 -7.111 -2.541 -9.388 1.00 0.00 H new ATOM 1253 N THR A 83 -10.322 -2.435 -3.527 1.00 0.00 N ATOM 1254 CA THR A 83 -11.213 -3.237 -2.698 1.00 0.00 C ATOM 1255 C THR A 83 -12.398 -3.753 -3.504 1.00 0.00 C ATOM 1256 O THR A 83 -12.495 -3.516 -4.709 1.00 0.00 O ATOM 1257 CB THR A 83 -11.737 -2.431 -1.494 1.00 0.00 C ATOM 1258 OG1 THR A 83 -12.518 -1.321 -1.951 1.00 0.00 O ATOM 1259 CG2 THR A 83 -10.586 -1.928 -0.637 1.00 0.00 C ATOM 0 H THR A 83 -10.670 -1.500 -3.738 1.00 0.00 H new ATOM 0 HA THR A 83 -10.630 -4.083 -2.334 1.00 0.00 H new ATOM 0 HB THR A 83 -12.360 -3.089 -0.888 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.311 -1.223 -1.383 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.981 -1.362 0.207 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.010 -2.776 -0.267 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.941 -1.285 -1.235 1.00 0.00 H new ATOM 1267 N THR A 84 -13.302 -4.461 -2.833 1.00 0.00 N ATOM 1268 CA THR A 84 -14.482 -5.012 -3.488 1.00 0.00 C ATOM 1269 C THR A 84 -15.204 -3.947 -4.305 1.00 0.00 C ATOM 1270 O THR A 84 -15.741 -4.230 -5.375 1.00 0.00 O ATOM 1271 CB THR A 84 -15.464 -5.612 -2.464 1.00 0.00 C ATOM 1272 OG1 THR A 84 -15.858 -4.611 -1.519 1.00 0.00 O ATOM 1273 CG2 THR A 84 -14.832 -6.787 -1.733 1.00 0.00 C ATOM 0 H THR A 84 -13.239 -4.666 -1.836 1.00 0.00 H new ATOM 0 HA THR A 84 -14.135 -5.803 -4.153 1.00 0.00 H new ATOM 0 HB THR A 84 -16.343 -5.969 -3.001 1.00 0.00 H new ATOM 0 HG1 THR A 84 -16.806 -4.724 -1.299 1.00 0.00 H new ATOM 0 HG21 THR A 84 -15.544 -7.194 -1.015 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.560 -7.559 -2.452 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.939 -6.450 -1.207 1.00 0.00 H new ATOM 1281 N GLY A 85 -15.214 -2.720 -3.793 1.00 0.00 N ATOM 1282 CA GLY A 85 -15.874 -1.631 -4.489 1.00 0.00 C ATOM 1283 C GLY A 85 -15.225 -0.289 -4.214 1.00 0.00 C ATOM 1284 O GLY A 85 -15.912 0.711 -4.013 1.00 0.00 O ATOM 0 H GLY A 85 -14.777 -2.461 -2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.857 -1.826 -5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.921 -1.593 -4.188 1.00 0.00 H new ATOM 1288 N GLY A 86 -13.895 -0.267 -4.201 1.00 0.00 N ATOM 1289 CA GLY A 86 -13.176 0.967 -3.945 1.00 0.00 C ATOM 1290 C GLY A 86 -11.764 0.940 -4.497 1.00 0.00 C ATOM 1291 O GLY A 86 -11.213 -0.129 -4.757 1.00 0.00 O ATOM 0 H GLY A 86 -13.303 -1.082 -4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.721 1.800 -4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.140 1.147 -2.871 1.00 0.00 H new ATOM 1295 N GLN A 87 -11.179 2.120 -4.677 1.00 0.00 N ATOM 1296 CA GLN A 87 -9.824 2.227 -5.204 1.00 0.00 C ATOM 1297 C GLN A 87 -9.160 3.519 -4.741 1.00 0.00 C ATOM 1298 O GLN A 87 -9.799 4.569 -4.680 1.00 0.00 O ATOM 1299 CB GLN A 87 -9.842 2.168 -6.733 1.00 0.00 C ATOM 1300 CG GLN A 87 -10.621 3.304 -7.376 1.00 0.00 C ATOM 1301 CD GLN A 87 -12.103 3.246 -7.062 1.00 0.00 C ATOM 1302 OE1 GLN A 87 -12.595 3.972 -6.198 1.00 0.00 O ATOM 1303 NE2 GLN A 87 -12.824 2.380 -7.765 1.00 0.00 N ATOM 0 H GLN A 87 -11.622 3.014 -4.466 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.246 1.386 -4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.816 2.188 -7.101 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.275 1.218 -7.047 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -10.218 4.256 -7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.481 3.270 -8.456 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.375 1.798 -8.472 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.827 2.297 -7.598 1.00 0.00 H new ATOM 1312 N SER A 88 -7.874 3.434 -4.415 1.00 0.00 N ATOM 1313 CA SER A 88 -7.124 4.597 -3.953 1.00 0.00 C ATOM 1314 C SER A 88 -5.707 4.589 -4.519 1.00 0.00 C ATOM 1315 O SER A 88 -5.216 3.558 -4.979 1.00 0.00 O ATOM 1316 CB SER A 88 -7.075 4.624 -2.424 1.00 0.00 C ATOM 1317 OG SER A 88 -6.525 5.841 -1.953 1.00 0.00 O ATOM 0 H SER A 88 -7.330 2.573 -4.462 1.00 0.00 H new ATOM 0 HA SER A 88 -7.634 5.492 -4.309 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.080 4.496 -2.023 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.478 3.787 -2.061 1.00 0.00 H new ATOM 0 HG SER A 88 -7.074 6.590 -2.265 1.00 0.00 H new ATOM 1323 N SER A 89 -5.056 5.747 -4.481 1.00 0.00 N ATOM 1324 CA SER A 89 -3.696 5.876 -4.992 1.00 0.00 C ATOM 1325 C SER A 89 -2.909 6.906 -4.188 1.00 0.00 C ATOM 1326 O SER A 89 -3.456 7.917 -3.749 1.00 0.00 O ATOM 1327 CB SER A 89 -3.720 6.275 -6.469 1.00 0.00 C ATOM 1328 OG SER A 89 -4.686 5.524 -7.185 1.00 0.00 O ATOM 0 H SER A 89 -5.448 6.609 -4.102 1.00 0.00 H new ATOM 0 HA SER A 89 -3.203 4.909 -4.892 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.942 7.338 -6.558 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.735 6.118 -6.907 1.00 0.00 H new ATOM 0 HG SER A 89 -4.332 4.630 -7.372 1.00 0.00 H new ATOM 1334 N ALA A 90 -1.620 6.641 -4.000 1.00 0.00 N ATOM 1335 CA ALA A 90 -0.756 7.545 -3.251 1.00 0.00 C ATOM 1336 C ALA A 90 0.612 7.670 -3.913 1.00 0.00 C ATOM 1337 O ALA A 90 1.046 6.777 -4.640 1.00 0.00 O ATOM 1338 CB ALA A 90 -0.607 7.064 -1.815 1.00 0.00 C ATOM 0 H ALA A 90 -1.151 5.808 -4.356 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.220 8.531 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.041 7.749 -1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.587 7.032 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.168 6.066 -1.809 1.00 0.00 H new ATOM 1344 N LYS A 91 1.287 8.786 -3.658 1.00 0.00 N ATOM 1345 CA LYS A 91 2.607 9.030 -4.228 1.00 0.00 C ATOM 1346 C LYS A 91 3.694 8.883 -3.168 1.00 0.00 C ATOM 1347 O LYS A 91 3.683 9.581 -2.153 1.00 0.00 O ATOM 1348 CB LYS A 91 2.668 10.428 -4.846 1.00 0.00 C ATOM 1349 CG LYS A 91 1.919 10.545 -6.163 1.00 0.00 C ATOM 1350 CD LYS A 91 2.321 11.797 -6.924 1.00 0.00 C ATOM 1351 CE LYS A 91 1.400 12.049 -8.108 1.00 0.00 C ATOM 1352 NZ LYS A 91 0.000 12.313 -7.675 1.00 0.00 N ATOM 0 H LYS A 91 0.941 9.536 -3.060 1.00 0.00 H new ATOM 0 HA LYS A 91 2.781 8.287 -5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.256 11.147 -4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.711 10.700 -5.006 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.119 9.666 -6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.846 10.563 -5.972 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.296 12.656 -6.253 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.348 11.697 -7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.769 12.899 -8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.418 11.185 -8.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.513 12.801 -8.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.473 11.412 -7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.007 12.910 -6.824 1.00 0.00 H new ATOM 1366 N LEU A 92 4.631 7.973 -3.410 1.00 0.00 N ATOM 1367 CA LEU A 92 5.726 7.736 -2.476 1.00 0.00 C ATOM 1368 C LEU A 92 7.063 8.132 -3.093 1.00 0.00 C ATOM 1369 O LEU A 92 7.490 7.558 -4.095 1.00 0.00 O ATOM 1370 CB LEU A 92 5.759 6.265 -2.060 1.00 0.00 C ATOM 1371 CG LEU A 92 6.650 5.924 -0.865 1.00 0.00 C ATOM 1372 CD1 LEU A 92 6.106 6.560 0.405 1.00 0.00 C ATOM 1373 CD2 LEU A 92 6.769 4.416 -0.701 1.00 0.00 C ATOM 0 H LEU A 92 4.654 7.387 -4.245 1.00 0.00 H new ATOM 0 HA LEU A 92 5.557 8.353 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.741 5.951 -1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.090 5.674 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 92 7.645 6.328 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.753 6.306 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.075 7.643 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.100 6.187 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.407 4.192 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.780 3.989 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.206 3.985 -1.602 1.00 0.00 H new ATOM 1385 N SER A 93 7.721 9.116 -2.488 1.00 0.00 N ATOM 1386 CA SER A 93 9.010 9.590 -2.979 1.00 0.00 C ATOM 1387 C SER A 93 10.128 9.232 -2.004 1.00 0.00 C ATOM 1388 O SER A 93 10.071 9.576 -0.823 1.00 0.00 O ATOM 1389 CB SER A 93 8.971 11.104 -3.195 1.00 0.00 C ATOM 1390 OG SER A 93 8.491 11.422 -4.490 1.00 0.00 O ATOM 0 H SER A 93 7.383 9.601 -1.657 1.00 0.00 H new ATOM 0 HA SER A 93 9.212 9.099 -3.931 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.331 11.565 -2.443 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.970 11.519 -3.062 1.00 0.00 H new ATOM 0 HG SER A 93 8.474 12.395 -4.603 1.00 0.00 H new ATOM 1396 N VAL A 94 11.144 8.540 -2.507 1.00 0.00 N ATOM 1397 CA VAL A 94 12.277 8.136 -1.683 1.00 0.00 C ATOM 1398 C VAL A 94 13.487 9.028 -1.937 1.00 0.00 C ATOM 1399 O VAL A 94 13.948 9.159 -3.071 1.00 0.00 O ATOM 1400 CB VAL A 94 12.669 6.670 -1.947 1.00 0.00 C ATOM 1401 CG1 VAL A 94 13.923 6.303 -1.168 1.00 0.00 C ATOM 1402 CG2 VAL A 94 11.519 5.739 -1.592 1.00 0.00 C ATOM 0 H VAL A 94 11.206 8.247 -3.482 1.00 0.00 H new ATOM 0 HA VAL A 94 11.965 8.239 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 94 12.884 6.556 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.184 5.264 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 94 14.745 6.949 -1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.740 6.433 -0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.813 4.707 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.270 5.854 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.649 5.988 -2.200 1.00 0.00 H new ATOM 1412 N ASP A 95 13.998 9.638 -0.873 1.00 0.00 N ATOM 1413 CA ASP A 95 15.157 10.517 -0.980 1.00 0.00 C ATOM 1414 C ASP A 95 16.314 9.996 -0.133 1.00 0.00 C ATOM 1415 O ASP A 95 16.116 9.198 0.784 1.00 0.00 O ATOM 1416 CB ASP A 95 14.789 11.937 -0.544 1.00 0.00 C ATOM 1417 CG ASP A 95 14.289 12.785 -1.698 1.00 0.00 C ATOM 1418 OD1 ASP A 95 13.219 12.460 -2.252 1.00 0.00 O ATOM 1419 OD2 ASP A 95 14.970 13.773 -2.046 1.00 0.00 O ATOM 0 H ASP A 95 13.628 9.540 0.073 1.00 0.00 H new ATOM 0 HA ASP A 95 15.473 10.536 -2.023 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.021 11.890 0.228 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.661 12.414 -0.097 1.00 0.00 H new