USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 618 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 Single : A 11 THR OG1 : rot -42:sc= 0.122 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.903 F(o=-2.1,f=-0.9) USER MOD Single : A 14 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 18 GLN : amide:sc= 1.12 K(o=1.1,f=-0.0021) USER MOD Single : A 20 ASN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= 1.13 (180deg=0.383) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -142:sc= 0.917 (180deg=-0.00965) USER MOD Single : A 29 SER OG : rot 104:sc= 0.806 USER MOD Single : A 43 THR OG1 : rot 32:sc= -0.784 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 2.3 (180deg=2.15) USER MOD Single : A 55 LYS NZ :NH3+ -170:sc= 1.26 (180deg=1.16) USER MOD Single : A 62 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.41) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0407 USER MOD Single : A 64 SER OG : rot 170:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 71 ASN : amide:sc=-0.00134 X(o=-0.0013,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 80 MET CE :methyl -162:sc= -3.25! (180deg=-4.24!) USER MOD Single : A 81 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.68) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.061 USER MOD Single : A 86 CYS SG : rot 111:sc= -1.57 USER MOD Single : A 87 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00387) USER MOD Single : A 88 MET CE :methyl 166:sc= -0.0434 (180deg=-0.332) USER MOD Single : A 90 LYS NZ :NH3+ 156:sc= 1.25 (180deg=1.23) USER MOD Single : A 93 MET CE :methyl 162:sc= -1.57 (180deg=-2.51!) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 9 5.965 1.499 -7.626 1.00 0.00 N ATOM 94 CA GLU A 9 4.609 1.071 -7.826 1.00 0.00 C ATOM 95 C GLU A 9 4.562 -0.451 -8.000 1.00 0.00 C ATOM 96 O GLU A 9 3.592 -1.097 -7.615 1.00 0.00 O ATOM 97 CB GLU A 9 4.026 1.806 -9.038 1.00 0.00 C ATOM 98 CG GLU A 9 2.530 1.585 -9.282 1.00 0.00 C ATOM 99 CD GLU A 9 2.049 2.216 -10.578 1.00 0.00 C ATOM 100 OE1 GLU A 9 2.323 3.407 -10.815 1.00 0.00 O ATOM 101 OE2 GLU A 9 1.420 1.513 -11.401 1.00 0.00 O ATOM 0 HA GLU A 9 4.002 1.316 -6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.203 2.874 -8.913 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.572 1.494 -9.928 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.324 0.515 -9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.964 2.001 -8.448 1.00 0.00 H new ATOM 108 N TRP A 10 5.633 -1.007 -8.553 1.00 0.00 N ATOM 109 CA TRP A 10 5.772 -2.436 -8.744 1.00 0.00 C ATOM 110 C TRP A 10 5.768 -3.178 -7.417 1.00 0.00 C ATOM 111 O TRP A 10 4.968 -4.083 -7.232 1.00 0.00 O ATOM 112 CB TRP A 10 7.040 -2.792 -9.549 1.00 0.00 C ATOM 113 CG TRP A 10 7.256 -4.278 -9.704 1.00 0.00 C ATOM 114 CD1 TRP A 10 6.673 -5.102 -10.614 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.107 -5.115 -8.901 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.112 -6.386 -10.436 1.00 0.00 N ATOM 117 CE2 TRP A 10 7.984 -6.422 -9.391 1.00 0.00 C ATOM 118 CE3 TRP A 10 8.956 -4.880 -7.821 1.00 0.00 C ATOM 119 CZ2 TRP A 10 8.672 -7.493 -8.839 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.636 -5.942 -7.273 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.490 -7.234 -7.784 1.00 0.00 C ATOM 0 H TRP A 10 6.434 -0.469 -8.883 1.00 0.00 H new ATOM 0 HA TRP A 10 4.906 -2.757 -9.323 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.973 -2.337 -10.537 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.909 -2.356 -9.056 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.966 -4.789 -11.368 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.830 -7.189 -10.998 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.077 -3.884 -7.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 8.562 -8.493 -9.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.294 -5.775 -6.433 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.039 -8.046 -7.331 1.00 0.00 H new ATOM 132 N THR A 11 6.642 -2.808 -6.495 1.00 0.00 N ATOM 133 CA THR A 11 6.715 -3.509 -5.221 1.00 0.00 C ATOM 134 C THR A 11 5.388 -3.459 -4.491 1.00 0.00 C ATOM 135 O THR A 11 4.920 -4.478 -3.963 1.00 0.00 O ATOM 136 CB THR A 11 7.827 -2.957 -4.323 1.00 0.00 C ATOM 137 OG1 THR A 11 9.070 -2.992 -5.030 1.00 0.00 O ATOM 138 CG2 THR A 11 7.946 -3.793 -3.057 1.00 0.00 C ATOM 0 H THR A 11 7.302 -2.038 -6.601 1.00 0.00 H new ATOM 0 HA THR A 11 6.953 -4.548 -5.450 1.00 0.00 H new ATOM 0 HB THR A 11 7.584 -1.930 -4.050 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.145 -3.839 -5.518 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.740 -3.390 -2.428 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.002 -3.765 -2.513 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.182 -4.824 -3.322 1.00 0.00 H new ATOM 146 N LEU A 12 4.773 -2.308 -4.513 1.00 0.00 N ATOM 147 CA LEU A 12 3.510 -2.127 -3.871 1.00 0.00 C ATOM 148 C LEU A 12 2.433 -2.991 -4.546 1.00 0.00 C ATOM 149 O LEU A 12 1.716 -3.736 -3.878 1.00 0.00 O ATOM 150 CB LEU A 12 3.094 -0.675 -3.947 1.00 0.00 C ATOM 151 CG LEU A 12 3.935 0.339 -3.177 1.00 0.00 C ATOM 152 CD1 LEU A 12 3.351 1.726 -3.360 1.00 0.00 C ATOM 153 CD2 LEU A 12 4.002 -0.023 -1.699 1.00 0.00 C ATOM 0 H LEU A 12 5.136 -1.475 -4.976 1.00 0.00 H new ATOM 0 HA LEU A 12 3.612 -2.428 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.089 -0.381 -4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.067 -0.600 -3.591 1.00 0.00 H new ATOM 0 HG LEU A 12 4.952 0.325 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.952 2.450 -2.810 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.352 1.984 -4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.328 1.743 -2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.607 0.714 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.995 -0.033 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.452 -1.009 -1.586 1.00 0.00 H new ATOM 165 N GLN A 13 2.362 -2.915 -5.886 1.00 0.00 N ATOM 166 CA GLN A 13 1.339 -3.631 -6.652 1.00 0.00 C ATOM 167 C GLN A 13 1.487 -5.130 -6.472 1.00 0.00 C ATOM 168 O GLN A 13 0.523 -5.805 -6.274 1.00 0.00 O ATOM 169 CB GLN A 13 1.371 -3.259 -8.163 1.00 0.00 C ATOM 170 CG GLN A 13 2.462 -3.947 -8.989 1.00 0.00 C ATOM 171 CD GLN A 13 2.651 -3.376 -10.373 1.00 0.00 C ATOM 172 OE1 GLN A 13 2.535 -2.082 -10.502 1.00 0.00 O flip ATOM 173 NE2 GLN A 13 2.978 -4.100 -11.308 1.00 0.00 N flip ATOM 0 H GLN A 13 3.003 -2.364 -6.457 1.00 0.00 H new ATOM 0 HA GLN A 13 0.370 -3.322 -6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.402 -3.502 -8.599 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.499 -2.180 -8.251 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.406 -3.879 -8.449 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.221 -5.006 -9.076 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.058 -5.107 -11.169 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.170 -3.695 -12.224 1.00 0.00 H new ATOM 182 N THR A 14 2.721 -5.607 -6.466 1.00 0.00 N ATOM 183 CA THR A 14 3.015 -7.018 -6.359 1.00 0.00 C ATOM 184 C THR A 14 2.475 -7.590 -5.038 1.00 0.00 C ATOM 185 O THR A 14 1.991 -8.714 -4.987 1.00 0.00 O ATOM 186 CB THR A 14 4.536 -7.237 -6.513 1.00 0.00 C ATOM 187 OG1 THR A 14 4.943 -6.649 -7.755 1.00 0.00 O ATOM 188 CG2 THR A 14 4.907 -8.706 -6.551 1.00 0.00 C ATOM 0 H THR A 14 3.550 -5.017 -6.536 1.00 0.00 H new ATOM 0 HA THR A 14 2.512 -7.559 -7.161 1.00 0.00 H new ATOM 0 HB THR A 14 5.031 -6.784 -5.654 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.120 -5.694 -7.622 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.987 -8.806 -6.660 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.590 -9.185 -5.625 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.411 -9.185 -7.395 1.00 0.00 H new ATOM 196 N LEU A 15 2.501 -6.788 -3.998 1.00 0.00 N ATOM 197 CA LEU A 15 1.947 -7.184 -2.715 1.00 0.00 C ATOM 198 C LEU A 15 0.432 -7.191 -2.806 1.00 0.00 C ATOM 199 O LEU A 15 -0.227 -8.167 -2.451 1.00 0.00 O ATOM 200 CB LEU A 15 2.383 -6.200 -1.642 1.00 0.00 C ATOM 201 CG LEU A 15 3.882 -6.089 -1.433 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.202 -4.900 -0.563 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.424 -7.356 -0.794 1.00 0.00 C ATOM 0 H LEU A 15 2.902 -5.850 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 15 2.306 -8.180 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.995 -5.214 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.922 -6.490 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 15 4.356 -5.955 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.281 -4.833 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.841 -3.990 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.716 -5.016 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.500 -7.260 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.942 -7.511 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.219 -8.207 -1.443 1.00 0.00 H new ATOM 215 N LEU A 16 -0.102 -6.132 -3.360 1.00 0.00 N ATOM 216 CA LEU A 16 -1.537 -5.936 -3.470 1.00 0.00 C ATOM 217 C LEU A 16 -2.183 -6.852 -4.537 1.00 0.00 C ATOM 218 O LEU A 16 -3.392 -6.933 -4.648 1.00 0.00 O ATOM 219 CB LEU A 16 -1.827 -4.459 -3.732 1.00 0.00 C ATOM 220 CG LEU A 16 -1.345 -3.484 -2.647 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.508 -2.049 -3.097 1.00 0.00 C ATOM 222 CD2 LEU A 16 -2.111 -3.704 -1.360 1.00 0.00 C ATOM 0 H LEU A 16 0.449 -5.369 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.996 -6.225 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.364 -4.179 -4.678 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.903 -4.335 -3.854 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.287 -3.676 -2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.159 -1.379 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.923 -1.883 -4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.560 -1.850 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.757 -3.005 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.174 -3.540 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.954 -4.725 -1.013 1.00 0.00 H new ATOM 234 N GLU A 17 -1.371 -7.501 -5.338 1.00 0.00 N ATOM 235 CA GLU A 17 -1.871 -8.491 -6.281 1.00 0.00 C ATOM 236 C GLU A 17 -1.862 -9.866 -5.641 1.00 0.00 C ATOM 237 O GLU A 17 -2.443 -10.812 -6.161 1.00 0.00 O ATOM 238 CB GLU A 17 -1.059 -8.516 -7.564 1.00 0.00 C ATOM 239 CG GLU A 17 -1.113 -7.238 -8.374 1.00 0.00 C ATOM 240 CD GLU A 17 -0.340 -7.375 -9.644 1.00 0.00 C ATOM 241 OE1 GLU A 17 0.903 -7.423 -9.600 1.00 0.00 O ATOM 242 OE2 GLU A 17 -0.960 -7.490 -10.717 1.00 0.00 O ATOM 0 H GLU A 17 -0.360 -7.366 -5.361 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.892 -8.210 -6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.019 -8.728 -7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.413 -9.339 -8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.150 -6.991 -8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.710 -6.414 -7.786 1.00 0.00 H new ATOM 249 N GLN A 18 -1.188 -9.972 -4.519 1.00 0.00 N ATOM 250 CA GLN A 18 -1.149 -11.207 -3.760 1.00 0.00 C ATOM 251 C GLN A 18 -2.238 -11.189 -2.715 1.00 0.00 C ATOM 252 O GLN A 18 -2.842 -12.217 -2.404 1.00 0.00 O ATOM 253 CB GLN A 18 0.218 -11.399 -3.109 1.00 0.00 C ATOM 254 CG GLN A 18 1.324 -11.702 -4.097 1.00 0.00 C ATOM 255 CD GLN A 18 2.690 -11.729 -3.460 1.00 0.00 C ATOM 256 OE1 GLN A 18 3.157 -12.762 -2.981 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.356 -10.607 -3.472 1.00 0.00 N ATOM 0 H GLN A 18 -0.652 -9.209 -4.105 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.316 -12.045 -4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.476 -10.498 -2.553 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.156 -12.212 -2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.129 -12.666 -4.568 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.313 -10.952 -4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.938 -9.770 -3.878 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.295 -10.567 -3.076 1.00 0.00 H new ATOM 266 N LEU A 19 -2.482 -10.021 -2.172 1.00 0.00 N ATOM 267 CA LEU A 19 -3.528 -9.827 -1.200 1.00 0.00 C ATOM 268 C LEU A 19 -4.588 -8.941 -1.869 1.00 0.00 C ATOM 269 O LEU A 19 -4.288 -7.842 -2.272 1.00 0.00 O ATOM 270 CB LEU A 19 -2.936 -9.133 0.072 1.00 0.00 C ATOM 271 CG LEU A 19 -2.684 -7.613 -0.020 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.816 -6.815 0.603 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.336 -7.195 0.492 1.00 0.00 C ATOM 0 H LEU A 19 -1.957 -9.175 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.969 -10.772 -0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.614 -9.315 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.992 -9.620 0.317 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.670 -7.376 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.600 -5.750 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.748 -7.039 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.914 -7.082 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.229 -6.114 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.241 -7.477 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.557 -7.689 -0.088 1.00 0.00 H new ATOM 285 N ASN A 20 -5.792 -9.435 -2.069 1.00 0.00 N ATOM 286 CA ASN A 20 -6.816 -8.602 -2.746 1.00 0.00 C ATOM 287 C ASN A 20 -8.211 -9.166 -2.706 1.00 0.00 C ATOM 288 O ASN A 20 -9.163 -8.401 -2.671 1.00 0.00 O ATOM 289 CB ASN A 20 -6.419 -8.247 -4.202 1.00 0.00 C ATOM 290 CG ASN A 20 -6.151 -9.455 -5.058 1.00 0.00 C ATOM 291 OD1 ASN A 20 -5.003 -10.037 -4.865 1.00 0.00 O flip ATOM 292 ND2 ASN A 20 -6.998 -9.906 -5.810 1.00 0.00 N flip ATOM 0 H ASN A 20 -6.097 -10.368 -1.793 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.841 -7.686 -2.155 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.217 -7.659 -4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.529 -7.618 -4.185 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.885 -9.417 -5.932 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.820 -10.773 -6.318 1.00 0.00 H new ATOM 299 N GLU A 21 -8.346 -10.477 -2.696 1.00 0.00 N ATOM 300 CA GLU A 21 -9.661 -11.122 -2.708 1.00 0.00 C ATOM 301 C GLU A 21 -10.488 -10.722 -1.480 1.00 0.00 C ATOM 302 O GLU A 21 -11.466 -9.991 -1.589 1.00 0.00 O ATOM 303 CB GLU A 21 -9.500 -12.631 -2.810 1.00 0.00 C ATOM 304 CG GLU A 21 -10.801 -13.392 -2.881 1.00 0.00 C ATOM 305 CD GLU A 21 -10.574 -14.848 -3.102 1.00 0.00 C ATOM 306 OE1 GLU A 21 -10.483 -15.257 -4.261 1.00 0.00 O ATOM 307 OE2 GLU A 21 -10.470 -15.611 -2.124 1.00 0.00 O ATOM 0 H GLU A 21 -7.561 -11.128 -2.679 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.210 -10.778 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.909 -12.862 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.933 -12.983 -1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.359 -13.247 -1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.413 -12.992 -3.689 1.00 0.00 H new ATOM 314 N ASP A 22 -10.096 -11.178 -0.318 1.00 0.00 N ATOM 315 CA ASP A 22 -10.777 -10.754 0.908 1.00 0.00 C ATOM 316 C ASP A 22 -9.828 -9.961 1.738 1.00 0.00 C ATOM 317 O ASP A 22 -10.148 -9.455 2.797 1.00 0.00 O ATOM 318 CB ASP A 22 -11.309 -11.940 1.709 1.00 0.00 C ATOM 319 CG ASP A 22 -12.385 -12.690 0.982 1.00 0.00 C ATOM 320 OD1 ASP A 22 -13.426 -12.099 0.678 1.00 0.00 O ATOM 321 OD2 ASP A 22 -12.203 -13.877 0.671 1.00 0.00 O ATOM 0 H ASP A 22 -9.325 -11.831 -0.181 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.637 -10.145 0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.487 -12.619 1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.700 -11.584 2.662 1.00 0.00 H new ATOM 326 N GLU A 23 -8.679 -9.807 1.195 1.00 0.00 N ATOM 327 CA GLU A 23 -7.563 -9.216 1.873 1.00 0.00 C ATOM 328 C GLU A 23 -7.590 -7.723 1.721 1.00 0.00 C ATOM 329 O GLU A 23 -7.178 -6.991 2.599 1.00 0.00 O ATOM 330 CB GLU A 23 -6.321 -9.762 1.239 1.00 0.00 C ATOM 331 CG GLU A 23 -6.392 -11.257 1.022 1.00 0.00 C ATOM 332 CD GLU A 23 -6.398 -12.042 2.314 1.00 0.00 C ATOM 333 OE1 GLU A 23 -7.478 -12.244 2.914 1.00 0.00 O ATOM 334 OE2 GLU A 23 -5.333 -12.492 2.736 1.00 0.00 O ATOM 0 H GLU A 23 -8.472 -10.094 0.238 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.598 -9.448 2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.157 -9.266 0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.463 -9.530 1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.292 -11.494 0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.542 -11.571 0.416 1.00 0.00 H new ATOM 341 N LEU A 24 -8.117 -7.263 0.611 1.00 0.00 N ATOM 342 CA LEU A 24 -8.146 -5.851 0.360 1.00 0.00 C ATOM 343 C LEU A 24 -9.228 -5.212 1.204 1.00 0.00 C ATOM 344 O LEU A 24 -9.139 -4.040 1.553 1.00 0.00 O ATOM 345 CB LEU A 24 -8.362 -5.569 -1.106 1.00 0.00 C ATOM 346 CG LEU A 24 -7.515 -4.454 -1.686 1.00 0.00 C ATOM 347 CD1 LEU A 24 -6.035 -4.799 -1.597 1.00 0.00 C ATOM 348 CD2 LEU A 24 -7.897 -4.212 -3.108 1.00 0.00 C ATOM 0 H LEU A 24 -8.526 -7.842 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.183 -5.420 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.164 -6.482 -1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.412 -5.322 -1.260 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.693 -3.548 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.446 -3.985 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.757 -4.945 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.841 -5.715 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.284 -3.409 -3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.738 -5.122 -3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.948 -3.928 -3.159 1.00 0.00 H new ATOM 360 N LYS A 25 -10.236 -6.023 1.548 1.00 0.00 N ATOM 361 CA LYS A 25 -11.304 -5.638 2.468 1.00 0.00 C ATOM 362 C LYS A 25 -10.672 -5.177 3.770 1.00 0.00 C ATOM 363 O LYS A 25 -11.011 -4.122 4.315 1.00 0.00 O ATOM 364 CB LYS A 25 -12.188 -6.848 2.769 1.00 0.00 C ATOM 365 CG LYS A 25 -12.942 -7.416 1.586 1.00 0.00 C ATOM 366 CD LYS A 25 -13.633 -8.710 1.978 1.00 0.00 C ATOM 367 CE LYS A 25 -14.633 -9.175 0.924 1.00 0.00 C ATOM 368 NZ LYS A 25 -13.995 -9.686 -0.308 1.00 0.00 N ATOM 0 H LYS A 25 -10.331 -6.973 1.190 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.904 -4.845 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.564 -7.635 3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.909 -6.567 3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.679 -6.694 1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.254 -7.598 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.884 -9.487 2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.149 -8.571 2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.261 -9.957 1.350 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.290 -8.344 0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.640 -9.555 -1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.112 -9.165 -0.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.783 -10.698 -0.195 1.00 0.00 H new ATOM 382 N SER A 26 -9.739 -5.984 4.236 1.00 0.00 N ATOM 383 CA SER A 26 -8.982 -5.738 5.386 1.00 0.00 C ATOM 384 C SER A 26 -8.102 -4.503 5.199 1.00 0.00 C ATOM 385 O SER A 26 -8.234 -3.522 5.935 1.00 0.00 O ATOM 386 CB SER A 26 -8.115 -6.951 5.588 1.00 0.00 C ATOM 387 OG SER A 26 -8.897 -8.132 5.745 1.00 0.00 O ATOM 0 H SER A 26 -9.498 -6.864 3.780 1.00 0.00 H new ATOM 0 HA SER A 26 -9.629 -5.554 6.244 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.446 -7.067 4.735 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.488 -6.809 6.468 1.00 0.00 H new ATOM 0 HG SER A 26 -8.304 -8.902 5.873 1.00 0.00 H new ATOM 393 N PHE A 27 -7.251 -4.557 4.175 1.00 0.00 N ATOM 394 CA PHE A 27 -6.262 -3.531 3.878 1.00 0.00 C ATOM 395 C PHE A 27 -6.874 -2.129 3.852 1.00 0.00 C ATOM 396 O PHE A 27 -6.437 -1.253 4.599 1.00 0.00 O ATOM 397 CB PHE A 27 -5.571 -3.850 2.536 1.00 0.00 C ATOM 398 CG PHE A 27 -4.455 -2.889 2.123 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.737 -1.643 1.573 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.126 -3.244 2.294 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.720 -0.779 1.213 1.00 0.00 C ATOM 402 CE2 PHE A 27 -2.106 -2.381 1.933 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.404 -1.146 1.393 1.00 0.00 C ATOM 0 H PHE A 27 -7.233 -5.335 3.516 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.522 -3.537 4.678 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.157 -4.857 2.591 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.327 -3.859 1.751 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.765 -1.346 1.425 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.883 -4.208 2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.957 0.186 0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.076 -2.674 2.074 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.609 -0.470 1.113 1.00 0.00 H new ATOM 413 N LYS A 28 -7.905 -1.941 3.028 1.00 0.00 N ATOM 414 CA LYS A 28 -8.543 -0.630 2.853 1.00 0.00 C ATOM 415 C LYS A 28 -9.085 -0.104 4.181 1.00 0.00 C ATOM 416 O LYS A 28 -8.922 1.061 4.517 1.00 0.00 O ATOM 417 CB LYS A 28 -9.686 -0.708 1.826 1.00 0.00 C ATOM 418 CG LYS A 28 -9.268 -1.106 0.419 1.00 0.00 C ATOM 419 CD LYS A 28 -10.483 -1.250 -0.495 1.00 0.00 C ATOM 420 CE LYS A 28 -10.079 -1.740 -1.878 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.239 -1.952 -2.776 1.00 0.00 N ATOM 0 H LYS A 28 -8.321 -2.684 2.466 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.782 0.058 2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.426 -1.424 2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.178 0.263 1.780 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.590 -0.356 0.012 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.720 -2.048 0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.193 -1.949 -0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.992 -0.290 -0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.402 -1.016 -2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.526 -2.674 -1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.076 -2.796 -3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.099 -2.086 -2.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.358 -1.122 -3.392 1.00 0.00 H new ATOM 435 N SER A 29 -9.683 -0.984 4.933 1.00 0.00 N ATOM 436 CA SER A 29 -10.276 -0.673 6.179 1.00 0.00 C ATOM 437 C SER A 29 -9.248 -0.303 7.253 1.00 0.00 C ATOM 438 O SER A 29 -9.411 0.688 7.949 1.00 0.00 O ATOM 439 CB SER A 29 -11.059 -1.865 6.582 1.00 0.00 C ATOM 440 OG SER A 29 -12.214 -2.031 5.770 1.00 0.00 O ATOM 0 H SER A 29 -9.768 -1.968 4.676 1.00 0.00 H new ATOM 0 HA SER A 29 -10.909 0.208 6.075 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.432 -2.754 6.510 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.358 -1.769 7.626 1.00 0.00 H new ATOM 0 HG SER A 29 -12.058 -2.750 5.123 1.00 0.00 H new ATOM 446 N LEU A 30 -8.231 -1.116 7.386 1.00 0.00 N ATOM 447 CA LEU A 30 -7.123 -0.882 8.334 1.00 0.00 C ATOM 448 C LEU A 30 -6.397 0.419 8.005 1.00 0.00 C ATOM 449 O LEU A 30 -5.988 1.174 8.890 1.00 0.00 O ATOM 450 CB LEU A 30 -6.156 -2.041 8.255 1.00 0.00 C ATOM 451 CG LEU A 30 -6.736 -3.396 8.626 1.00 0.00 C ATOM 452 CD1 LEU A 30 -5.789 -4.481 8.187 1.00 0.00 C ATOM 453 CD2 LEU A 30 -6.980 -3.487 10.124 1.00 0.00 C ATOM 0 H LEU A 30 -8.129 -1.973 6.843 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.528 -0.802 9.343 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.764 -2.097 7.239 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.311 -1.834 8.912 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.693 -3.521 8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.203 -5.454 8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.650 -4.428 7.107 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.828 -4.348 8.684 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.395 -4.465 10.366 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.038 -3.351 10.655 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.682 -2.710 10.426 1.00 0.00 H new ATOM 465 N LEU A 31 -6.252 0.665 6.733 1.00 0.00 N ATOM 466 CA LEU A 31 -5.695 1.900 6.212 1.00 0.00 C ATOM 467 C LEU A 31 -6.596 3.081 6.593 1.00 0.00 C ATOM 468 O LEU A 31 -6.129 4.168 6.879 1.00 0.00 O ATOM 469 CB LEU A 31 -5.544 1.738 4.690 1.00 0.00 C ATOM 470 CG LEU A 31 -5.616 2.987 3.791 1.00 0.00 C ATOM 471 CD1 LEU A 31 -4.362 3.836 3.867 1.00 0.00 C ATOM 472 CD2 LEU A 31 -5.941 2.602 2.360 1.00 0.00 C ATOM 0 H LEU A 31 -6.522 0.002 6.006 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.715 2.109 6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.584 1.255 4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.318 1.047 4.355 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.427 3.608 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.469 4.702 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.212 4.172 4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.503 3.245 3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.987 3.500 1.743 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.166 1.938 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.904 2.092 2.330 1.00 0.00 H new ATOM 484 N TRP A 32 -7.869 2.830 6.659 1.00 0.00 N ATOM 485 CA TRP A 32 -8.821 3.839 7.047 1.00 0.00 C ATOM 486 C TRP A 32 -9.040 3.802 8.571 1.00 0.00 C ATOM 487 O TRP A 32 -9.943 4.454 9.105 1.00 0.00 O ATOM 488 CB TRP A 32 -10.138 3.575 6.330 1.00 0.00 C ATOM 489 CG TRP A 32 -10.671 4.781 5.659 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.753 5.522 6.001 1.00 0.00 C ATOM 491 CD2 TRP A 32 -10.104 5.391 4.524 1.00 0.00 C ATOM 492 NE1 TRP A 32 -11.902 6.558 5.112 1.00 0.00 N ATOM 493 CE2 TRP A 32 -10.891 6.498 4.194 1.00 0.00 C ATOM 494 CE3 TRP A 32 -9.002 5.084 3.759 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -10.599 7.318 3.106 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -8.697 5.887 2.676 1.00 0.00 C ATOM 497 CH2 TRP A 32 -9.497 6.996 2.357 1.00 0.00 C ATOM 0 H TRP A 32 -8.282 1.922 6.446 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.441 4.823 6.774 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.994 2.786 5.591 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.872 3.209 7.048 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.399 5.327 6.844 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.645 7.257 5.133 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.386 4.230 4.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.215 8.171 2.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.834 5.659 2.068 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.239 7.607 1.505 1.00 0.00 H new ATOM 508 N ALA A 33 -8.240 3.005 9.258 1.00 0.00 N ATOM 509 CA ALA A 33 -8.369 2.831 10.696 1.00 0.00 C ATOM 510 C ALA A 33 -7.232 3.493 11.436 1.00 0.00 C ATOM 511 O ALA A 33 -7.372 3.860 12.613 1.00 0.00 O ATOM 512 CB ALA A 33 -8.436 1.358 11.058 1.00 0.00 C ATOM 0 H ALA A 33 -7.486 2.462 8.838 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.299 3.311 10.999 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.532 1.253 12.139 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.298 0.902 10.571 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.526 0.860 10.725 1.00 0.00 H new ATOM 518 N PHE A 34 -6.094 3.629 10.783 1.00 0.00 N ATOM 519 CA PHE A 34 -4.983 4.293 11.403 1.00 0.00 C ATOM 520 C PHE A 34 -5.221 5.802 11.312 1.00 0.00 C ATOM 521 O PHE A 34 -5.976 6.248 10.434 1.00 0.00 O ATOM 522 CB PHE A 34 -3.615 3.865 10.763 1.00 0.00 C ATOM 523 CG PHE A 34 -3.288 4.395 9.388 1.00 0.00 C ATOM 524 CD1 PHE A 34 -2.911 5.717 9.200 1.00 0.00 C ATOM 525 CD2 PHE A 34 -3.331 3.564 8.295 1.00 0.00 C ATOM 526 CE1 PHE A 34 -2.604 6.195 7.955 1.00 0.00 C ATOM 527 CE2 PHE A 34 -3.018 4.038 7.040 1.00 0.00 C ATOM 528 CZ PHE A 34 -2.659 5.359 6.869 1.00 0.00 C ATOM 0 H PHE A 34 -5.923 3.291 9.836 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.915 4.001 12.451 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.817 4.172 11.439 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.592 2.776 10.717 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.859 6.380 10.051 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.613 2.529 8.421 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.319 7.229 7.828 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.054 3.374 6.189 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.422 5.733 5.884 1.00 0.00 H new ATOM 672 N THR A 43 -7.264 11.199 0.186 1.00 0.00 N ATOM 673 CA THR A 43 -7.305 9.902 -0.469 1.00 0.00 C ATOM 674 C THR A 43 -8.740 9.544 -0.884 1.00 0.00 C ATOM 675 O THR A 43 -9.619 9.360 -0.031 1.00 0.00 O ATOM 676 CB THR A 43 -6.725 8.805 0.445 1.00 0.00 C ATOM 677 OG1 THR A 43 -5.428 9.213 0.882 1.00 0.00 O ATOM 678 CG2 THR A 43 -6.600 7.476 -0.295 1.00 0.00 C ATOM 0 HA THR A 43 -6.690 9.963 -1.367 1.00 0.00 H new ATOM 0 HB THR A 43 -7.398 8.666 1.291 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.402 10.189 0.962 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.188 6.723 0.377 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.584 7.157 -0.638 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.939 7.598 -1.153 1.00 0.00 H new ATOM 686 N PRO A 44 -9.006 9.510 -2.193 1.00 0.00 N ATOM 687 CA PRO A 44 -10.328 9.202 -2.717 1.00 0.00 C ATOM 688 C PRO A 44 -10.733 7.735 -2.529 1.00 0.00 C ATOM 689 O PRO A 44 -10.293 6.855 -3.280 1.00 0.00 O ATOM 690 CB PRO A 44 -10.206 9.535 -4.206 1.00 0.00 C ATOM 691 CG PRO A 44 -8.747 9.372 -4.505 1.00 0.00 C ATOM 692 CD PRO A 44 -8.041 9.830 -3.279 1.00 0.00 C ATOM 0 HA PRO A 44 -11.101 9.765 -2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.814 8.865 -4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.544 10.550 -4.415 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.506 8.334 -4.733 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.455 9.965 -5.372 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.093 9.310 -3.142 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.817 10.896 -3.318 1.00 0.00 H new ATOM 700 N TRP A 45 -11.572 7.468 -1.533 1.00 0.00 N ATOM 701 CA TRP A 45 -12.067 6.114 -1.291 1.00 0.00 C ATOM 702 C TRP A 45 -12.925 5.674 -2.483 1.00 0.00 C ATOM 703 O TRP A 45 -12.986 4.503 -2.811 1.00 0.00 O ATOM 704 CB TRP A 45 -12.877 6.025 0.034 1.00 0.00 C ATOM 705 CG TRP A 45 -13.425 4.636 0.331 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.560 4.080 -0.183 1.00 0.00 C ATOM 707 CD2 TRP A 45 -12.865 3.646 1.203 1.00 0.00 C ATOM 708 NE1 TRP A 45 -14.724 2.804 0.291 1.00 0.00 N ATOM 709 CE2 TRP A 45 -13.704 2.516 1.147 1.00 0.00 C ATOM 710 CE3 TRP A 45 -11.738 3.599 2.016 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -13.446 1.361 1.873 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -11.488 2.452 2.740 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.337 1.346 2.663 1.00 0.00 C ATOM 0 H TRP A 45 -11.924 8.169 -0.881 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.213 5.444 -1.186 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.238 6.337 0.860 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -13.707 6.730 -0.011 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.234 4.575 -0.867 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.486 2.173 0.043 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -11.070 4.446 2.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.102 0.505 1.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.618 2.408 3.379 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.110 0.462 3.241 1.00 0.00 H new ATOM 724 N SER A 46 -13.537 6.637 -3.146 1.00 0.00 N ATOM 725 CA SER A 46 -14.348 6.379 -4.317 1.00 0.00 C ATOM 726 C SER A 46 -13.506 5.661 -5.389 1.00 0.00 C ATOM 727 O SER A 46 -13.985 4.733 -6.052 1.00 0.00 O ATOM 728 CB SER A 46 -14.929 7.705 -4.848 1.00 0.00 C ATOM 729 OG SER A 46 -15.805 7.511 -5.947 1.00 0.00 O ATOM 0 H SER A 46 -13.485 7.622 -2.886 1.00 0.00 H new ATOM 0 HA SER A 46 -15.180 5.727 -4.053 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.465 8.211 -4.045 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.113 8.361 -5.149 1.00 0.00 H new ATOM 0 HG SER A 46 -16.149 8.378 -6.248 1.00 0.00 H new ATOM 735 N GLU A 47 -12.244 6.046 -5.495 1.00 0.00 N ATOM 736 CA GLU A 47 -11.344 5.424 -6.434 1.00 0.00 C ATOM 737 C GLU A 47 -10.870 4.084 -5.879 1.00 0.00 C ATOM 738 O GLU A 47 -10.851 3.088 -6.589 1.00 0.00 O ATOM 739 CB GLU A 47 -10.138 6.326 -6.713 1.00 0.00 C ATOM 740 CG GLU A 47 -10.483 7.688 -7.305 1.00 0.00 C ATOM 741 CD GLU A 47 -11.163 7.598 -8.639 1.00 0.00 C ATOM 742 OE1 GLU A 47 -10.479 7.328 -9.650 1.00 0.00 O ATOM 743 OE2 GLU A 47 -12.399 7.811 -8.706 1.00 0.00 O ATOM 0 H GLU A 47 -11.825 6.790 -4.937 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.877 5.264 -7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.592 6.478 -5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.465 5.808 -7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.129 8.225 -6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.570 8.274 -7.409 1.00 0.00 H new ATOM 750 N VAL A 48 -10.544 4.057 -4.573 1.00 0.00 N ATOM 751 CA VAL A 48 -10.002 2.845 -3.932 1.00 0.00 C ATOM 752 C VAL A 48 -11.041 1.716 -3.916 1.00 0.00 C ATOM 753 O VAL A 48 -10.693 0.548 -3.911 1.00 0.00 O ATOM 754 CB VAL A 48 -9.485 3.081 -2.456 1.00 0.00 C ATOM 755 CG1 VAL A 48 -8.702 4.352 -2.301 1.00 0.00 C ATOM 756 CG2 VAL A 48 -10.563 2.947 -1.394 1.00 0.00 C ATOM 0 H VAL A 48 -10.646 4.855 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.143 2.563 -4.541 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.791 2.259 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.376 4.455 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.830 4.324 -2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.330 5.201 -2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.128 3.123 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.349 3.679 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.986 1.943 -1.429 1.00 0.00 H new ATOM 766 N GLU A 49 -12.312 2.094 -3.915 1.00 0.00 N ATOM 767 CA GLU A 49 -13.412 1.169 -3.844 1.00 0.00 C ATOM 768 C GLU A 49 -13.387 0.218 -5.019 1.00 0.00 C ATOM 769 O GLU A 49 -13.525 -0.992 -4.856 1.00 0.00 O ATOM 770 CB GLU A 49 -14.710 1.934 -3.817 1.00 0.00 C ATOM 771 CG GLU A 49 -15.760 1.260 -2.960 1.00 0.00 C ATOM 772 CD GLU A 49 -16.374 0.011 -3.531 1.00 0.00 C ATOM 773 OE1 GLU A 49 -17.159 0.101 -4.490 1.00 0.00 O ATOM 774 OE2 GLU A 49 -16.101 -1.089 -3.013 1.00 0.00 O ATOM 0 H GLU A 49 -12.602 3.071 -3.965 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.321 0.580 -2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.528 2.940 -3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.088 2.039 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.312 1.014 -1.998 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.557 1.977 -2.766 1.00 0.00 H new ATOM 781 N GLU A 50 -13.137 0.757 -6.183 1.00 0.00 N ATOM 782 CA GLU A 50 -13.131 -0.038 -7.387 1.00 0.00 C ATOM 783 C GLU A 50 -11.703 -0.409 -7.801 1.00 0.00 C ATOM 784 O GLU A 50 -11.463 -0.980 -8.878 1.00 0.00 O ATOM 785 CB GLU A 50 -13.846 0.697 -8.514 1.00 0.00 C ATOM 786 CG GLU A 50 -15.338 0.895 -8.279 1.00 0.00 C ATOM 787 CD GLU A 50 -16.030 1.611 -9.417 1.00 0.00 C ATOM 788 OE1 GLU A 50 -15.890 1.177 -10.585 1.00 0.00 O ATOM 789 OE2 GLU A 50 -16.776 2.587 -9.168 1.00 0.00 O ATOM 0 H GLU A 50 -12.934 1.746 -6.325 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.668 -0.964 -7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.378 1.672 -8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.706 0.142 -9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.808 -0.077 -8.130 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.482 1.463 -7.360 1.00 0.00 H new ATOM 796 N ALA A 51 -10.773 -0.108 -6.946 1.00 0.00 N ATOM 797 CA ALA A 51 -9.383 -0.354 -7.213 1.00 0.00 C ATOM 798 C ALA A 51 -8.863 -1.498 -6.401 1.00 0.00 C ATOM 799 O ALA A 51 -9.194 -1.655 -5.219 1.00 0.00 O ATOM 800 CB ALA A 51 -8.570 0.873 -6.935 1.00 0.00 C ATOM 0 H ALA A 51 -10.955 0.318 -6.037 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.294 -0.614 -8.268 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.520 0.668 -7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.913 1.689 -7.571 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.684 1.156 -5.889 1.00 0.00 H new ATOM 806 N ASP A 52 -8.049 -2.285 -7.028 1.00 0.00 N ATOM 807 CA ASP A 52 -7.421 -3.402 -6.392 1.00 0.00 C ATOM 808 C ASP A 52 -6.011 -3.479 -6.867 1.00 0.00 C ATOM 809 O ASP A 52 -5.677 -2.822 -7.855 1.00 0.00 O ATOM 810 CB ASP A 52 -8.130 -4.715 -6.725 1.00 0.00 C ATOM 811 CG ASP A 52 -7.954 -5.145 -8.165 1.00 0.00 C ATOM 812 OD1 ASP A 52 -8.671 -4.629 -9.037 1.00 0.00 O ATOM 813 OD2 ASP A 52 -7.128 -6.038 -8.441 1.00 0.00 O ATOM 0 H ASP A 52 -7.797 -2.170 -8.010 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.469 -3.259 -5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.751 -5.500 -6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.194 -4.609 -6.513 1.00 0.00 H new ATOM 818 N GLY A 53 -5.190 -4.217 -6.126 1.00 0.00 N ATOM 819 CA GLY A 53 -3.805 -4.502 -6.486 1.00 0.00 C ATOM 820 C GLY A 53 -3.018 -3.308 -6.988 1.00 0.00 C ATOM 821 O GLY A 53 -2.660 -2.404 -6.217 1.00 0.00 O ATOM 0 H GLY A 53 -5.474 -4.641 -5.243 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.296 -4.914 -5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.796 -5.274 -7.255 1.00 0.00 H new ATOM 825 N LYS A 54 -2.817 -3.278 -8.295 1.00 0.00 N ATOM 826 CA LYS A 54 -2.022 -2.264 -8.956 1.00 0.00 C ATOM 827 C LYS A 54 -2.664 -0.934 -8.798 1.00 0.00 C ATOM 828 O LYS A 54 -2.006 0.060 -8.481 1.00 0.00 O ATOM 829 CB LYS A 54 -1.908 -2.560 -10.452 1.00 0.00 C ATOM 830 CG LYS A 54 -0.691 -1.931 -11.112 1.00 0.00 C ATOM 831 CD LYS A 54 -0.945 -0.813 -12.144 1.00 0.00 C ATOM 832 CE LYS A 54 -1.508 0.465 -11.553 1.00 0.00 C ATOM 833 NZ LYS A 54 -1.150 1.637 -12.373 1.00 0.00 N ATOM 0 H LYS A 54 -3.209 -3.970 -8.934 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.031 -2.266 -8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.871 -3.640 -10.597 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.807 -2.202 -10.953 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.053 -1.526 -10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.127 -2.723 -11.605 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.008 -0.583 -12.651 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.635 -1.184 -12.902 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.593 0.387 -11.480 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.129 0.598 -10.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.632 2.481 -12.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.121 1.783 -12.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.444 1.475 -13.357 1.00 0.00 H new ATOM 847 N LYS A 55 -3.952 -0.913 -8.997 1.00 0.00 N ATOM 848 CA LYS A 55 -4.689 0.312 -8.971 1.00 0.00 C ATOM 849 C LYS A 55 -4.654 0.946 -7.611 1.00 0.00 C ATOM 850 O LYS A 55 -4.562 2.150 -7.491 1.00 0.00 O ATOM 851 CB LYS A 55 -6.127 0.124 -9.411 1.00 0.00 C ATOM 852 CG LYS A 55 -6.323 -0.009 -10.893 1.00 0.00 C ATOM 853 CD LYS A 55 -6.041 1.298 -11.638 1.00 0.00 C ATOM 854 CE LYS A 55 -7.011 2.406 -11.226 1.00 0.00 C ATOM 855 NZ LYS A 55 -6.806 3.637 -12.006 1.00 0.00 N ATOM 0 H LYS A 55 -4.516 -1.743 -9.181 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.200 0.977 -9.683 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.527 -0.766 -8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.714 0.971 -9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.666 -0.791 -11.275 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.346 -0.326 -11.095 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.018 1.617 -11.438 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.118 1.128 -12.712 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.036 2.059 -11.359 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.884 2.623 -10.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.361 4.410 -11.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.797 3.890 -11.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.115 3.482 -12.987 1.00 0.00 H new ATOM 869 N LEU A 56 -4.712 0.125 -6.599 1.00 0.00 N ATOM 870 CA LEU A 56 -4.689 0.613 -5.246 1.00 0.00 C ATOM 871 C LEU A 56 -3.333 1.252 -4.939 1.00 0.00 C ATOM 872 O LEU A 56 -3.271 2.324 -4.354 1.00 0.00 O ATOM 873 CB LEU A 56 -5.028 -0.500 -4.258 1.00 0.00 C ATOM 874 CG LEU A 56 -5.175 -0.075 -2.796 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.303 0.937 -2.632 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.426 -1.278 -1.927 1.00 0.00 C ATOM 0 H LEU A 56 -4.776 -0.889 -6.685 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.454 1.381 -5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.959 -0.969 -4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.251 -1.262 -4.318 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.244 0.399 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.386 1.222 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.089 1.821 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.242 0.492 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.529 -0.962 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.342 -1.774 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.589 -1.971 -2.014 1.00 0.00 H new ATOM 888 N ALA A 57 -2.257 0.615 -5.409 1.00 0.00 N ATOM 889 CA ALA A 57 -0.890 1.141 -5.244 1.00 0.00 C ATOM 890 C ALA A 57 -0.769 2.518 -5.899 1.00 0.00 C ATOM 891 O ALA A 57 -0.109 3.415 -5.383 1.00 0.00 O ATOM 892 CB ALA A 57 0.116 0.187 -5.871 1.00 0.00 C ATOM 0 H ALA A 57 -2.302 -0.272 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.681 1.235 -4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.123 0.585 -5.744 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.046 -0.786 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.099 0.078 -6.934 1.00 0.00 H new ATOM 898 N GLU A 58 -1.466 2.667 -7.003 1.00 0.00 N ATOM 899 CA GLU A 58 -1.497 3.888 -7.792 1.00 0.00 C ATOM 900 C GLU A 58 -2.136 5.030 -6.982 1.00 0.00 C ATOM 901 O GLU A 58 -1.758 6.189 -7.100 1.00 0.00 O ATOM 902 CB GLU A 58 -2.307 3.602 -9.053 1.00 0.00 C ATOM 903 CG GLU A 58 -2.440 4.732 -10.041 1.00 0.00 C ATOM 904 CD GLU A 58 -3.348 4.341 -11.168 1.00 0.00 C ATOM 905 OE1 GLU A 58 -2.938 3.549 -12.024 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.516 4.777 -11.194 1.00 0.00 O ATOM 0 H GLU A 58 -2.045 1.923 -7.392 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.487 4.200 -8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.852 2.754 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.308 3.293 -8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.833 5.617 -9.540 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.458 4.998 -10.433 1.00 0.00 H new ATOM 913 N ILE A 59 -3.076 4.677 -6.146 1.00 0.00 N ATOM 914 CA ILE A 59 -3.765 5.641 -5.323 1.00 0.00 C ATOM 915 C ILE A 59 -2.901 5.993 -4.100 1.00 0.00 C ATOM 916 O ILE A 59 -2.882 7.142 -3.642 1.00 0.00 O ATOM 917 CB ILE A 59 -5.151 5.089 -4.923 1.00 0.00 C ATOM 918 CG1 ILE A 59 -5.914 4.752 -6.211 1.00 0.00 C ATOM 919 CG2 ILE A 59 -5.921 6.128 -4.104 1.00 0.00 C ATOM 920 CD1 ILE A 59 -7.044 3.785 -6.049 1.00 0.00 C ATOM 0 H ILE A 59 -3.387 3.714 -6.015 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.929 6.562 -5.882 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.039 4.197 -4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.306 5.677 -6.634 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.209 4.344 -6.935 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.896 5.725 -3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.360 6.368 -3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.056 7.032 -4.698 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.518 3.614 -7.016 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.662 2.841 -5.660 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.777 4.195 -5.354 1.00 0.00 H new ATOM 932 N LEU A 60 -2.146 5.013 -3.609 1.00 0.00 N ATOM 933 CA LEU A 60 -1.204 5.250 -2.509 1.00 0.00 C ATOM 934 C LEU A 60 -0.078 6.192 -2.942 1.00 0.00 C ATOM 935 O LEU A 60 0.329 7.072 -2.189 1.00 0.00 O ATOM 936 CB LEU A 60 -0.604 3.935 -1.936 1.00 0.00 C ATOM 937 CG LEU A 60 -1.399 3.180 -0.836 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.584 4.043 0.404 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.738 2.670 -1.333 1.00 0.00 C ATOM 0 H LEU A 60 -2.165 4.052 -3.950 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.780 5.720 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.454 3.248 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.382 4.167 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.801 2.309 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.144 3.486 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.608 4.315 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.132 4.947 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.252 2.150 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.346 3.510 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.580 1.982 -2.164 1.00 0.00 H new ATOM 951 N VAL A 61 0.402 6.035 -4.177 1.00 0.00 N ATOM 952 CA VAL A 61 1.491 6.888 -4.674 1.00 0.00 C ATOM 953 C VAL A 61 0.974 8.267 -5.072 1.00 0.00 C ATOM 954 O VAL A 61 1.745 9.180 -5.360 1.00 0.00 O ATOM 955 CB VAL A 61 2.265 6.256 -5.873 1.00 0.00 C ATOM 956 CG1 VAL A 61 2.799 4.889 -5.514 1.00 0.00 C ATOM 957 CG2 VAL A 61 1.414 6.186 -7.130 1.00 0.00 C ATOM 0 H VAL A 61 0.064 5.340 -4.843 1.00 0.00 H new ATOM 0 HA VAL A 61 2.192 6.986 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 61 3.109 6.912 -6.088 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.334 4.472 -6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.479 4.975 -4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.970 4.233 -5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.994 5.739 -7.938 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.531 5.577 -6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.106 7.191 -7.417 1.00 0.00 H new ATOM 967 N ASN A 62 -0.331 8.416 -5.069 1.00 0.00 N ATOM 968 CA ASN A 62 -0.957 9.666 -5.445 1.00 0.00 C ATOM 969 C ASN A 62 -1.069 10.579 -4.219 1.00 0.00 C ATOM 970 O ASN A 62 -1.394 11.768 -4.325 1.00 0.00 O ATOM 971 CB ASN A 62 -2.340 9.392 -6.074 1.00 0.00 C ATOM 972 CG ASN A 62 -3.027 10.624 -6.647 1.00 0.00 C ATOM 973 OD1 ASN A 62 -2.386 11.584 -7.096 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.324 10.591 -6.679 1.00 0.00 N ATOM 0 H ASN A 62 -0.987 7.680 -4.808 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.344 10.174 -6.190 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.225 8.654 -6.867 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.988 8.949 -5.318 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.844 11.370 -7.082 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.823 9.786 -6.301 1.00 0.00 H new ATOM 981 N THR A 63 -0.781 10.029 -3.058 1.00 0.00 N ATOM 982 CA THR A 63 -0.828 10.780 -1.840 1.00 0.00 C ATOM 983 C THR A 63 0.558 10.909 -1.183 1.00 0.00 C ATOM 984 O THR A 63 1.204 11.963 -1.271 1.00 0.00 O ATOM 985 CB THR A 63 -1.865 10.180 -0.861 1.00 0.00 C ATOM 986 OG1 THR A 63 -1.718 8.749 -0.828 1.00 0.00 O ATOM 987 CG2 THR A 63 -3.282 10.541 -1.291 1.00 0.00 C ATOM 0 H THR A 63 -0.510 9.053 -2.941 1.00 0.00 H new ATOM 0 HA THR A 63 -1.149 11.790 -2.095 1.00 0.00 H new ATOM 0 HB THR A 63 -1.690 10.592 0.133 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.373 8.367 -0.207 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.996 10.110 -0.590 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.394 11.625 -1.302 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.471 10.147 -2.289 1.00 0.00 H new ATOM 995 N SER A 64 1.022 9.852 -0.573 1.00 0.00 N ATOM 996 CA SER A 64 2.270 9.880 0.146 1.00 0.00 C ATOM 997 C SER A 64 3.450 9.414 -0.705 1.00 0.00 C ATOM 998 O SER A 64 3.276 8.791 -1.755 1.00 0.00 O ATOM 999 CB SER A 64 2.150 9.032 1.401 1.00 0.00 C ATOM 1000 OG SER A 64 1.114 9.512 2.235 1.00 0.00 O ATOM 0 H SER A 64 0.548 8.949 -0.559 1.00 0.00 H new ATOM 0 HA SER A 64 2.473 10.916 0.416 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.952 7.996 1.127 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.095 9.043 1.944 1.00 0.00 H new ATOM 0 HG SER A 64 0.945 8.866 2.952 1.00 0.00 H new ATOM 1006 N SER A 65 4.639 9.766 -0.269 1.00 0.00 N ATOM 1007 CA SER A 65 5.867 9.342 -0.902 1.00 0.00 C ATOM 1008 C SER A 65 6.170 7.900 -0.483 1.00 0.00 C ATOM 1009 O SER A 65 5.674 7.447 0.556 1.00 0.00 O ATOM 1010 CB SER A 65 6.980 10.259 -0.423 1.00 0.00 C ATOM 1011 OG SER A 65 6.639 11.614 -0.652 1.00 0.00 O ATOM 0 H SER A 65 4.782 10.363 0.546 1.00 0.00 H new ATOM 0 HA SER A 65 5.782 9.389 -1.988 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.160 10.098 0.640 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.907 10.018 -0.943 1.00 0.00 H new ATOM 0 HG SER A 65 7.365 12.192 -0.337 1.00 0.00 H new ATOM 1017 N GLU A 66 6.998 7.199 -1.249 1.00 0.00 N ATOM 1018 CA GLU A 66 7.364 5.799 -0.954 1.00 0.00 C ATOM 1019 C GLU A 66 8.030 5.687 0.418 1.00 0.00 C ATOM 1020 O GLU A 66 7.839 4.708 1.144 1.00 0.00 O ATOM 1021 CB GLU A 66 8.271 5.196 -2.053 1.00 0.00 C ATOM 1022 CG GLU A 66 9.700 5.752 -2.153 1.00 0.00 C ATOM 1023 CD GLU A 66 9.776 7.240 -2.426 1.00 0.00 C ATOM 1024 OE1 GLU A 66 9.793 8.032 -1.467 1.00 0.00 O ATOM 1025 OE2 GLU A 66 9.819 7.646 -3.593 1.00 0.00 O ATOM 0 H GLU A 66 7.438 7.573 -2.090 1.00 0.00 H new ATOM 0 HA GLU A 66 6.440 5.220 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.336 4.120 -1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.781 5.342 -3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.226 5.539 -1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.228 5.222 -2.946 1.00 0.00 H new ATOM 1032 N ASN A 67 8.767 6.731 0.770 1.00 0.00 N ATOM 1033 CA ASN A 67 9.429 6.870 2.066 1.00 0.00 C ATOM 1034 C ASN A 67 8.395 6.835 3.212 1.00 0.00 C ATOM 1035 O ASN A 67 8.712 6.515 4.348 1.00 0.00 O ATOM 1036 CB ASN A 67 10.208 8.195 2.097 1.00 0.00 C ATOM 1037 CG ASN A 67 11.041 8.398 3.355 1.00 0.00 C ATOM 1038 OD1 ASN A 67 11.582 7.453 3.934 1.00 0.00 O ATOM 1039 ND2 ASN A 67 11.149 9.624 3.784 1.00 0.00 N ATOM 0 H ASN A 67 8.927 7.525 0.150 1.00 0.00 H new ATOM 0 HA ASN A 67 10.118 6.037 2.205 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.865 8.238 1.228 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.503 9.021 2.004 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.694 9.825 4.623 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.689 10.383 3.281 1.00 0.00 H new ATOM 1046 N TRP A 68 7.159 7.145 2.908 1.00 0.00 N ATOM 1047 CA TRP A 68 6.125 7.063 3.899 1.00 0.00 C ATOM 1048 C TRP A 68 5.346 5.761 3.699 1.00 0.00 C ATOM 1049 O TRP A 68 5.112 5.013 4.657 1.00 0.00 O ATOM 1050 CB TRP A 68 5.177 8.269 3.822 1.00 0.00 C ATOM 1051 CG TRP A 68 4.214 8.322 4.973 1.00 0.00 C ATOM 1052 CD1 TRP A 68 4.363 9.032 6.125 1.00 0.00 C ATOM 1053 CD2 TRP A 68 2.973 7.613 5.099 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.294 8.808 6.950 1.00 0.00 N ATOM 1055 CE2 TRP A 68 2.435 7.938 6.344 1.00 0.00 C ATOM 1056 CE3 TRP A 68 2.267 6.734 4.273 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.237 7.412 6.791 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 1.081 6.218 4.718 1.00 0.00 C ATOM 1059 CH2 TRP A 68 0.578 6.555 5.966 1.00 0.00 C ATOM 0 H TRP A 68 6.849 7.454 1.987 1.00 0.00 H new ATOM 0 HA TRP A 68 6.585 7.073 4.887 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.764 9.187 3.802 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.618 8.228 2.887 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.200 9.676 6.354 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.161 9.225 7.871 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.651 6.467 3.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.839 7.672 7.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.528 5.538 4.088 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.359 6.127 6.290 1.00 0.00 H new ATOM 1070 N ILE A 69 4.986 5.475 2.430 1.00 0.00 N ATOM 1071 CA ILE A 69 4.172 4.292 2.055 1.00 0.00 C ATOM 1072 C ILE A 69 4.804 2.997 2.566 1.00 0.00 C ATOM 1073 O ILE A 69 4.093 2.027 2.870 1.00 0.00 O ATOM 1074 CB ILE A 69 3.965 4.185 0.510 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.359 5.472 -0.044 1.00 0.00 C ATOM 1076 CG2 ILE A 69 3.044 3.009 0.172 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.267 5.498 -1.553 1.00 0.00 C ATOM 0 H ILE A 69 5.250 6.056 1.634 1.00 0.00 H new ATOM 0 HA ILE A 69 3.199 4.431 2.526 1.00 0.00 H new ATOM 0 HB ILE A 69 4.941 4.023 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.361 5.603 0.375 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.959 6.319 0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.911 2.950 -0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.489 2.082 0.534 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.075 3.157 0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.827 6.442 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.265 5.399 -1.980 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.643 4.672 -1.894 1.00 0.00 H new ATOM 1089 N ARG A 70 6.138 3.003 2.679 1.00 0.00 N ATOM 1090 CA ARG A 70 6.893 1.882 3.214 1.00 0.00 C ATOM 1091 C ARG A 70 6.308 1.425 4.562 1.00 0.00 C ATOM 1092 O ARG A 70 6.059 0.256 4.764 1.00 0.00 O ATOM 1093 CB ARG A 70 8.393 2.237 3.380 1.00 0.00 C ATOM 1094 CG ARG A 70 8.687 3.368 4.363 1.00 0.00 C ATOM 1095 CD ARG A 70 10.179 3.564 4.612 1.00 0.00 C ATOM 1096 NE ARG A 70 10.417 4.666 5.556 1.00 0.00 N ATOM 1097 CZ ARG A 70 11.495 4.828 6.345 1.00 0.00 C ATOM 1098 NH1 ARG A 70 12.465 3.925 6.358 1.00 0.00 N ATOM 1099 NH2 ARG A 70 11.571 5.885 7.135 1.00 0.00 N ATOM 0 H ARG A 70 6.719 3.793 2.398 1.00 0.00 H new ATOM 0 HA ARG A 70 6.814 1.064 2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.927 1.345 3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.796 2.511 2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.263 4.296 3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.190 3.158 5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.609 2.643 5.007 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.684 3.773 3.669 1.00 0.00 H new ATOM 0 HE ARG A 70 9.691 5.380 5.619 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.399 3.097 5.766 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.278 4.058 6.960 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.816 6.571 7.144 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.385 6.015 7.736 1.00 0.00 H new ATOM 1113 N ASN A 71 5.999 2.380 5.430 1.00 0.00 N ATOM 1114 CA ASN A 71 5.503 2.070 6.758 1.00 0.00 C ATOM 1115 C ASN A 71 4.062 1.631 6.681 1.00 0.00 C ATOM 1116 O ASN A 71 3.635 0.760 7.425 1.00 0.00 O ATOM 1117 CB ASN A 71 5.646 3.285 7.698 1.00 0.00 C ATOM 1118 CG ASN A 71 5.154 3.011 9.118 1.00 0.00 C ATOM 1119 OD1 ASN A 71 5.904 2.520 9.957 1.00 0.00 O ATOM 1120 ND2 ASN A 71 3.920 3.354 9.410 1.00 0.00 N ATOM 0 H ASN A 71 6.085 3.377 5.234 1.00 0.00 H new ATOM 0 HA ASN A 71 6.100 1.255 7.167 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.693 3.586 7.735 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.088 4.124 7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.562 3.215 10.355 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.320 3.760 8.692 1.00 0.00 H new ATOM 1127 N ALA A 72 3.338 2.208 5.739 1.00 0.00 N ATOM 1128 CA ALA A 72 1.929 1.932 5.560 1.00 0.00 C ATOM 1129 C ALA A 72 1.689 0.484 5.196 1.00 0.00 C ATOM 1130 O ALA A 72 1.102 -0.254 5.975 1.00 0.00 O ATOM 1131 CB ALA A 72 1.330 2.844 4.510 1.00 0.00 C ATOM 0 H ALA A 72 3.715 2.884 5.075 1.00 0.00 H new ATOM 0 HA ALA A 72 1.436 2.125 6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.270 2.618 4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.447 3.882 4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.841 2.690 3.560 1.00 0.00 H new ATOM 1137 N THR A 73 2.198 0.069 4.043 1.00 0.00 N ATOM 1138 CA THR A 73 1.985 -1.283 3.554 1.00 0.00 C ATOM 1139 C THR A 73 2.544 -2.305 4.539 1.00 0.00 C ATOM 1140 O THR A 73 1.891 -3.276 4.834 1.00 0.00 O ATOM 1141 CB THR A 73 2.549 -1.485 2.091 1.00 0.00 C ATOM 1142 OG1 THR A 73 2.240 -2.790 1.597 1.00 0.00 O ATOM 1143 CG2 THR A 73 4.063 -1.259 2.004 1.00 0.00 C ATOM 0 H THR A 73 2.764 0.654 3.428 1.00 0.00 H new ATOM 0 HA THR A 73 0.910 -1.447 3.484 1.00 0.00 H new ATOM 0 HB THR A 73 2.060 -0.732 1.473 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.598 -2.890 0.690 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.395 -1.411 0.977 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.297 -0.241 2.314 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.574 -1.964 2.659 1.00 0.00 H new ATOM 1151 N VAL A 74 3.695 -2.039 5.102 1.00 0.00 N ATOM 1152 CA VAL A 74 4.276 -2.941 6.070 1.00 0.00 C ATOM 1153 C VAL A 74 3.343 -3.120 7.291 1.00 0.00 C ATOM 1154 O VAL A 74 3.033 -4.252 7.687 1.00 0.00 O ATOM 1155 CB VAL A 74 5.689 -2.455 6.489 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.159 -3.132 7.751 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.680 -2.723 5.360 1.00 0.00 C ATOM 0 H VAL A 74 4.250 -1.206 4.908 1.00 0.00 H new ATOM 0 HA VAL A 74 4.389 -3.921 5.606 1.00 0.00 H new ATOM 0 HB VAL A 74 5.631 -1.385 6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.152 -2.766 8.012 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.466 -2.911 8.562 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.200 -4.210 7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.671 -2.381 5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.713 -3.792 5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.365 -2.188 4.464 1.00 0.00 H new ATOM 1167 N ASN A 75 2.853 -2.012 7.821 1.00 0.00 N ATOM 1168 CA ASN A 75 1.948 -2.025 8.970 1.00 0.00 C ATOM 1169 C ASN A 75 0.652 -2.741 8.652 1.00 0.00 C ATOM 1170 O ASN A 75 0.245 -3.620 9.404 1.00 0.00 O ATOM 1171 CB ASN A 75 1.650 -0.602 9.451 1.00 0.00 C ATOM 1172 CG ASN A 75 0.615 -0.549 10.571 1.00 0.00 C ATOM 1173 OD1 ASN A 75 -0.586 -0.418 10.322 1.00 0.00 O ATOM 1174 ND2 ASN A 75 1.060 -0.652 11.790 1.00 0.00 N ATOM 0 H ASN A 75 3.067 -1.078 7.472 1.00 0.00 H new ATOM 0 HA ASN A 75 2.453 -2.570 9.768 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.575 -0.142 9.798 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.295 -0.008 8.609 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.409 -0.625 12.575 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.060 -0.759 11.961 1.00 0.00 H new ATOM 1181 N ILE A 76 0.021 -2.381 7.535 1.00 0.00 N ATOM 1182 CA ILE A 76 -1.264 -2.983 7.144 1.00 0.00 C ATOM 1183 C ILE A 76 -1.097 -4.492 6.966 1.00 0.00 C ATOM 1184 O ILE A 76 -1.902 -5.275 7.450 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.830 -2.416 5.812 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.824 -0.879 5.773 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -3.249 -2.920 5.616 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.725 -0.197 6.763 1.00 0.00 C ATOM 0 H ILE A 76 0.372 -1.679 6.884 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.963 -2.742 7.945 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.181 -2.763 5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.804 -0.534 5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.108 -0.559 4.771 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.650 -2.525 4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.246 -4.009 5.577 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.871 -2.588 6.447 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.641 0.884 6.647 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.756 -0.502 6.587 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.432 -0.477 7.775 1.00 0.00 H new ATOM 1200 N LEU A 77 -0.036 -4.884 6.280 1.00 0.00 N ATOM 1201 CA LEU A 77 0.274 -6.282 6.064 1.00 0.00 C ATOM 1202 C LEU A 77 0.518 -7.012 7.390 1.00 0.00 C ATOM 1203 O LEU A 77 0.038 -8.134 7.590 1.00 0.00 O ATOM 1204 CB LEU A 77 1.440 -6.436 5.076 1.00 0.00 C ATOM 1205 CG LEU A 77 1.095 -6.337 3.555 1.00 0.00 C ATOM 1206 CD1 LEU A 77 0.359 -5.071 3.149 1.00 0.00 C ATOM 1207 CD2 LEU A 77 2.319 -6.567 2.690 1.00 0.00 C ATOM 0 H LEU A 77 0.633 -4.240 5.858 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.592 -6.761 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.183 -5.672 5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.911 -7.403 5.255 1.00 0.00 H new ATOM 0 HG LEU A 77 0.385 -7.145 3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.163 -5.092 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.586 -5.010 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.971 -4.202 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.041 -6.491 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.074 -5.816 2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.723 -7.560 2.887 1.00 0.00 H new ATOM 1219 N GLU A 78 1.208 -6.347 8.310 1.00 0.00 N ATOM 1220 CA GLU A 78 1.408 -6.868 9.658 1.00 0.00 C ATOM 1221 C GLU A 78 0.070 -6.983 10.419 1.00 0.00 C ATOM 1222 O GLU A 78 -0.129 -7.910 11.215 1.00 0.00 O ATOM 1223 CB GLU A 78 2.438 -6.021 10.434 1.00 0.00 C ATOM 1224 CG GLU A 78 3.892 -6.383 10.139 1.00 0.00 C ATOM 1225 CD GLU A 78 4.890 -5.598 10.972 1.00 0.00 C ATOM 1226 OE1 GLU A 78 4.645 -5.392 12.193 1.00 0.00 O ATOM 1227 OE2 GLU A 78 5.932 -5.170 10.433 1.00 0.00 O ATOM 0 H GLU A 78 1.642 -5.439 8.145 1.00 0.00 H new ATOM 0 HA GLU A 78 1.815 -7.875 9.571 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.281 -4.969 10.195 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.256 -6.136 11.502 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.037 -7.448 10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.095 -6.208 9.082 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.854 -6.073 10.129 1.00 0.00 N ATOM 1235 CA GLU A 79 -2.196 -6.071 10.723 1.00 0.00 C ATOM 1236 C GLU A 79 -3.080 -7.160 10.114 1.00 0.00 C ATOM 1237 O GLU A 79 -4.144 -7.479 10.640 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.867 -4.707 10.546 1.00 0.00 C ATOM 1239 CG GLU A 79 -2.228 -3.568 11.320 1.00 0.00 C ATOM 1240 CD GLU A 79 -2.271 -3.764 12.818 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -1.483 -4.576 13.353 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -3.060 -3.085 13.496 1.00 0.00 O ATOM 0 H GLU A 79 -0.697 -5.309 9.472 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.078 -6.277 11.787 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.863 -4.452 9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.911 -4.791 10.849 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.190 -3.461 11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.736 -2.637 11.068 1.00 0.00 H new ATOM 1249 N MET A 80 -2.646 -7.714 9.001 1.00 0.00 N ATOM 1250 CA MET A 80 -3.389 -8.770 8.328 1.00 0.00 C ATOM 1251 C MET A 80 -2.751 -10.124 8.575 1.00 0.00 C ATOM 1252 O MET A 80 -3.127 -11.118 7.948 1.00 0.00 O ATOM 1253 CB MET A 80 -3.515 -8.491 6.823 1.00 0.00 C ATOM 1254 CG MET A 80 -4.386 -7.290 6.499 1.00 0.00 C ATOM 1255 SD MET A 80 -4.589 -6.992 4.728 1.00 0.00 S ATOM 1256 CE MET A 80 -2.909 -6.641 4.244 1.00 0.00 C ATOM 0 H MET A 80 -1.776 -7.451 8.537 1.00 0.00 H new ATOM 0 HA MET A 80 -4.395 -8.787 8.748 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.520 -8.331 6.407 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.928 -9.372 6.332 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.368 -7.434 6.949 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.951 -6.403 6.960 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.907 -6.134 3.279 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.441 -6.000 4.991 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.351 -7.574 4.165 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.778 -10.147 9.508 1.00 0.00 N ATOM 1267 CA ASN A 81 -1.063 -11.381 9.925 1.00 0.00 C ATOM 1268 C ASN A 81 -0.297 -11.987 8.730 1.00 0.00 C ATOM 1269 O ASN A 81 -0.107 -13.194 8.619 1.00 0.00 O ATOM 1270 CB ASN A 81 -2.069 -12.395 10.564 1.00 0.00 C ATOM 1271 CG ASN A 81 -1.421 -13.636 11.195 1.00 0.00 C ATOM 1272 OD1 ASN A 81 -0.278 -13.605 11.648 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -2.160 -14.719 11.262 1.00 0.00 N ATOM 0 H ASN A 81 -1.461 -9.310 9.998 1.00 0.00 H new ATOM 0 HA ASN A 81 -0.324 -11.133 10.687 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.649 -11.877 11.328 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.772 -12.720 9.797 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.789 -15.563 11.698 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.105 -14.716 10.878 1.00 0.00 H new ATOM 1280 N LEU A 82 0.176 -11.122 7.867 1.00 0.00 N ATOM 1281 CA LEU A 82 0.909 -11.535 6.697 1.00 0.00 C ATOM 1282 C LEU A 82 2.392 -11.281 6.899 1.00 0.00 C ATOM 1283 O LEU A 82 2.811 -10.137 6.990 1.00 0.00 O ATOM 1284 CB LEU A 82 0.405 -10.771 5.464 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.062 -10.997 5.076 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.438 -10.144 3.876 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.315 -12.466 4.778 1.00 0.00 C ATOM 0 H LEU A 82 0.063 -10.112 7.956 1.00 0.00 H new ATOM 0 HA LEU A 82 0.752 -12.602 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.552 -9.705 5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.030 -11.044 4.614 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.686 -10.701 5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.482 -10.320 3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.297 -9.091 4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.805 -10.409 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.361 -12.607 4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.678 -12.785 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.088 -13.061 5.663 1.00 0.00 H new ATOM 1299 N THR A 83 3.164 -12.331 6.995 1.00 0.00 N ATOM 1300 CA THR A 83 4.600 -12.227 7.160 1.00 0.00 C ATOM 1301 C THR A 83 5.311 -12.287 5.830 1.00 0.00 C ATOM 1302 O THR A 83 5.985 -11.346 5.447 1.00 0.00 O ATOM 1303 CB THR A 83 5.118 -13.353 8.060 1.00 0.00 C ATOM 1304 OG1 THR A 83 4.396 -14.558 7.762 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.993 -13.002 9.529 1.00 0.00 C ATOM 0 H THR A 83 2.818 -13.290 6.961 1.00 0.00 H new ATOM 0 HA THR A 83 4.807 -11.263 7.624 1.00 0.00 H new ATOM 0 HB THR A 83 6.179 -13.500 7.860 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.723 -15.285 8.333 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.371 -13.826 10.134 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.572 -12.103 9.739 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.946 -12.824 9.773 1.00 0.00 H new ATOM 1313 N GLU A 84 5.095 -13.374 5.125 1.00 0.00 N ATOM 1314 CA GLU A 84 5.755 -13.707 3.861 1.00 0.00 C ATOM 1315 C GLU A 84 5.908 -12.527 2.877 1.00 0.00 C ATOM 1316 O GLU A 84 7.025 -12.075 2.613 1.00 0.00 O ATOM 1317 CB GLU A 84 5.052 -14.908 3.238 1.00 0.00 C ATOM 1318 CG GLU A 84 3.551 -14.736 3.064 1.00 0.00 C ATOM 1319 CD GLU A 84 2.850 -16.033 2.821 1.00 0.00 C ATOM 1320 OE1 GLU A 84 3.027 -16.636 1.738 1.00 0.00 O ATOM 1321 OE2 GLU A 84 2.101 -16.478 3.704 1.00 0.00 O ATOM 0 H GLU A 84 4.428 -14.087 5.420 1.00 0.00 H new ATOM 0 HA GLU A 84 6.788 -13.966 4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.498 -15.110 2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.235 -15.784 3.860 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.137 -14.265 3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.360 -14.062 2.229 1.00 0.00 H new ATOM 1328 N LEU A 85 4.810 -12.008 2.386 1.00 0.00 N ATOM 1329 CA LEU A 85 4.858 -10.901 1.452 1.00 0.00 C ATOM 1330 C LEU A 85 5.270 -9.597 2.132 1.00 0.00 C ATOM 1331 O LEU A 85 5.915 -8.765 1.529 1.00 0.00 O ATOM 1332 CB LEU A 85 3.551 -10.726 0.623 1.00 0.00 C ATOM 1333 CG LEU A 85 2.222 -10.439 1.361 1.00 0.00 C ATOM 1334 CD1 LEU A 85 1.169 -10.003 0.360 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.716 -11.672 2.098 1.00 0.00 C ATOM 0 H LEU A 85 3.870 -12.331 2.615 1.00 0.00 H new ATOM 0 HA LEU A 85 5.635 -11.162 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.717 -9.912 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.411 -11.634 0.036 1.00 0.00 H new ATOM 0 HG LEU A 85 2.409 -9.650 2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.233 -9.801 0.881 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.503 -9.099 -0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.013 -10.795 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.781 -11.434 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.547 -12.479 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.457 -11.987 2.832 1.00 0.00 H new ATOM 1347 N CYS A 86 4.959 -9.458 3.404 1.00 0.00 N ATOM 1348 CA CYS A 86 5.309 -8.250 4.150 1.00 0.00 C ATOM 1349 C CYS A 86 6.826 -8.144 4.285 1.00 0.00 C ATOM 1350 O CYS A 86 7.401 -7.071 4.174 1.00 0.00 O ATOM 1351 CB CYS A 86 4.682 -8.291 5.525 1.00 0.00 C ATOM 1352 SG CYS A 86 4.966 -6.822 6.545 1.00 0.00 S ATOM 0 H CYS A 86 4.464 -10.163 3.950 1.00 0.00 H new ATOM 0 HA CYS A 86 4.933 -7.381 3.609 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.607 -8.434 5.413 1.00 0.00 H new ATOM 0 HB3 CYS A 86 5.065 -9.162 6.056 1.00 0.00 H new ATOM 0 HG CYS A 86 3.849 -6.173 6.691 1.00 0.00 H new ATOM 1358 N LYS A 87 7.460 -9.272 4.492 1.00 0.00 N ATOM 1359 CA LYS A 87 8.898 -9.354 4.594 1.00 0.00 C ATOM 1360 C LYS A 87 9.551 -9.047 3.264 1.00 0.00 C ATOM 1361 O LYS A 87 10.645 -8.500 3.213 1.00 0.00 O ATOM 1362 CB LYS A 87 9.295 -10.726 5.080 1.00 0.00 C ATOM 1363 CG LYS A 87 8.927 -10.982 6.537 1.00 0.00 C ATOM 1364 CD LYS A 87 9.068 -12.437 6.907 1.00 0.00 C ATOM 1365 CE LYS A 87 10.432 -12.974 6.550 1.00 0.00 C ATOM 1366 NZ LYS A 87 11.543 -12.284 7.248 1.00 0.00 N ATOM 0 H LYS A 87 6.987 -10.170 4.596 1.00 0.00 H new ATOM 0 HA LYS A 87 9.243 -8.610 5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.815 -11.478 4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.371 -10.849 4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.565 -10.380 7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.901 -10.661 6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.898 -12.559 7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.302 -13.019 6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.469 -14.037 6.789 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.578 -12.884 5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.447 -12.725 6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.554 -11.280 6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.409 -12.362 8.276 1.00 0.00 H new ATOM 1380 N MET A 88 8.847 -9.352 2.188 1.00 0.00 N ATOM 1381 CA MET A 88 9.332 -9.079 0.869 1.00 0.00 C ATOM 1382 C MET A 88 9.224 -7.587 0.636 1.00 0.00 C ATOM 1383 O MET A 88 10.085 -6.969 0.037 1.00 0.00 O ATOM 1384 CB MET A 88 8.499 -9.841 -0.151 1.00 0.00 C ATOM 1385 CG MET A 88 9.006 -9.730 -1.575 1.00 0.00 C ATOM 1386 SD MET A 88 10.695 -10.364 -1.793 1.00 0.00 S ATOM 1387 CE MET A 88 10.477 -12.098 -1.387 1.00 0.00 C ATOM 0 H MET A 88 7.928 -9.794 2.216 1.00 0.00 H new ATOM 0 HA MET A 88 10.369 -9.397 0.764 1.00 0.00 H new ATOM 0 HB2 MET A 88 8.472 -10.893 0.132 1.00 0.00 H new ATOM 0 HB3 MET A 88 7.473 -9.474 -0.113 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.333 -10.276 -2.236 1.00 0.00 H new ATOM 0 HG3 MET A 88 8.976 -8.685 -1.883 1.00 0.00 H new ATOM 0 HE1 MET A 88 11.353 -12.660 -1.711 1.00 0.00 H new ATOM 0 HE2 MET A 88 10.354 -12.207 -0.309 1.00 0.00 H new ATOM 0 HE3 MET A 88 9.592 -12.482 -1.894 1.00 0.00 H new ATOM 1397 N ALA A 89 8.175 -7.012 1.187 1.00 0.00 N ATOM 1398 CA ALA A 89 7.945 -5.578 1.117 1.00 0.00 C ATOM 1399 C ALA A 89 9.052 -4.843 1.844 1.00 0.00 C ATOM 1400 O ALA A 89 9.555 -3.843 1.369 1.00 0.00 O ATOM 1401 CB ALA A 89 6.611 -5.214 1.738 1.00 0.00 C ATOM 0 H ALA A 89 7.455 -7.524 1.697 1.00 0.00 H new ATOM 0 HA ALA A 89 7.935 -5.286 0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.462 -4.136 1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.810 -5.724 1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.601 -5.520 2.784 1.00 0.00 H new ATOM 1407 N LYS A 90 9.436 -5.375 2.989 1.00 0.00 N ATOM 1408 CA LYS A 90 10.510 -4.814 3.800 1.00 0.00 C ATOM 1409 C LYS A 90 11.854 -4.925 3.086 1.00 0.00 C ATOM 1410 O LYS A 90 12.790 -4.167 3.369 1.00 0.00 O ATOM 1411 CB LYS A 90 10.574 -5.517 5.163 1.00 0.00 C ATOM 1412 CG LYS A 90 9.323 -5.326 6.000 1.00 0.00 C ATOM 1413 CD LYS A 90 9.391 -6.076 7.317 1.00 0.00 C ATOM 1414 CE LYS A 90 8.148 -5.800 8.143 1.00 0.00 C ATOM 1415 NZ LYS A 90 8.178 -6.394 9.495 1.00 0.00 N ATOM 0 H LYS A 90 9.012 -6.213 3.388 1.00 0.00 H new ATOM 0 HA LYS A 90 10.295 -3.757 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.738 -6.583 5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.434 -5.141 5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.179 -4.264 6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.455 -5.666 5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.482 -7.146 7.130 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.279 -5.773 7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.018 -4.722 8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.278 -6.182 7.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.542 -5.862 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.866 -7.385 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.147 -6.354 9.870 1.00 0.00 H new ATOM 1429 N ALA A 91 11.929 -5.851 2.161 1.00 0.00 N ATOM 1430 CA ALA A 91 13.134 -6.101 1.423 1.00 0.00 C ATOM 1431 C ALA A 91 13.217 -5.272 0.141 1.00 0.00 C ATOM 1432 O ALA A 91 14.266 -4.715 -0.188 1.00 0.00 O ATOM 1433 CB ALA A 91 13.286 -7.598 1.142 1.00 0.00 C ATOM 0 H ALA A 91 11.148 -6.454 1.901 1.00 0.00 H new ATOM 0 HA ALA A 91 13.972 -5.782 2.043 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.205 -7.772 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 91 13.328 -8.143 2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.434 -7.947 0.559 1.00 0.00 H new ATOM 1439 N GLU A 92 12.125 -5.191 -0.552 1.00 0.00 N ATOM 1440 CA GLU A 92 12.065 -4.516 -1.839 1.00 0.00 C ATOM 1441 C GLU A 92 11.765 -3.025 -1.695 1.00 0.00 C ATOM 1442 O GLU A 92 12.294 -2.191 -2.436 1.00 0.00 O ATOM 1443 CB GLU A 92 10.997 -5.164 -2.669 1.00 0.00 C ATOM 1444 CG GLU A 92 11.205 -6.639 -2.908 1.00 0.00 C ATOM 1445 CD GLU A 92 10.276 -7.211 -3.940 1.00 0.00 C ATOM 1446 OE1 GLU A 92 9.050 -6.975 -3.862 1.00 0.00 O ATOM 1447 OE2 GLU A 92 10.758 -7.953 -4.833 1.00 0.00 O ATOM 0 H GLU A 92 11.236 -5.590 -0.251 1.00 0.00 H new ATOM 0 HA GLU A 92 13.040 -4.606 -2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.034 -5.020 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.943 -4.656 -3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.235 -6.807 -3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.068 -7.175 -1.969 1.00 0.00 H new ATOM 1454 N MET A 93 10.906 -2.702 -0.769 1.00 0.00 N ATOM 1455 CA MET A 93 10.550 -1.332 -0.493 1.00 0.00 C ATOM 1456 C MET A 93 11.348 -0.846 0.713 1.00 0.00 C ATOM 1457 O MET A 93 12.484 -1.315 0.930 1.00 0.00 O ATOM 1458 CB MET A 93 9.010 -1.192 -0.294 1.00 0.00 C ATOM 1459 CG MET A 93 8.233 -0.702 -1.511 1.00 0.00 C ATOM 1460 SD MET A 93 8.267 1.100 -1.786 1.00 0.00 S ATOM 1461 CE MET A 93 9.966 1.417 -2.290 1.00 0.00 C ATOM 0 H MET A 93 10.428 -3.383 -0.179 1.00 0.00 H new ATOM 0 HA MET A 93 10.805 -0.699 -1.343 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.610 -2.161 0.005 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.829 -0.504 0.532 1.00 0.00 H new ATOM 0 HG2 MET A 93 8.631 -1.195 -2.398 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.195 -1.018 -1.409 1.00 0.00 H new ATOM 0 HE1 MET A 93 10.025 2.388 -2.781 1.00 0.00 H new ATOM 0 HE2 MET A 93 10.612 1.415 -1.412 1.00 0.00 H new ATOM 0 HE3 MET A 93 10.291 0.640 -2.982 1.00 0.00 H new