USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 687 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 82 SER OG : rot -149:sc= -1.04 USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -4.23! C(o=-4.2!,f=-5.8!) USER MOD Single : A 20 ASN : amide:sc= -0.0687 X(o=-0.069,f=-0.069) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 143:sc= 1.14 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0801 USER MOD Single : A 51 LYS NZ :NH3+ -139:sc= -0.846 (180deg=-2.11!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -3.08! F(o=-3.6,f=-3.1!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.924 K(o=-0.92,f=-2.4!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 73 SER OG : rot -85:sc= 1.2 USER MOD Single : A 75 THR OG1 : rot -69:sc= 0.157 USER MOD Single : A 76 TYR OH : rot 73:sc= -0.258 USER MOD Single : A 77 ASN : amide:sc= -3.82! C(o=-3.8!,f=-6.7!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.141 K(o=-0.14,f=-2.1!) USER MOD Single : A 90 ASN : amide:sc= -2.51 X(o=-2.5,f=-2.9!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 12.473 5.683 -1.298 1.00 0.00 N ATOM 72 CA VAL A 6 12.699 5.239 0.065 1.00 0.00 C ATOM 73 C VAL A 6 13.987 4.426 0.164 1.00 0.00 C ATOM 74 O VAL A 6 14.385 3.757 -0.791 1.00 0.00 O ATOM 75 CB VAL A 6 11.519 4.383 0.556 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.745 2.947 0.189 1.00 0.00 C ATOM 77 CG2 VAL A 6 11.302 4.538 2.057 1.00 0.00 C ATOM 0 HA VAL A 6 12.788 6.125 0.693 1.00 0.00 H new ATOM 0 HB VAL A 6 10.612 4.734 0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.906 2.346 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.829 2.857 -0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.665 2.593 0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.461 3.919 2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.200 4.224 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.090 5.582 2.288 1.00 0.00 H new ATOM 87 N TRP A 7 14.624 4.473 1.324 1.00 0.00 N ATOM 88 CA TRP A 7 15.856 3.729 1.544 1.00 0.00 C ATOM 89 C TRP A 7 15.696 2.755 2.704 1.00 0.00 C ATOM 90 O TRP A 7 15.256 3.133 3.790 1.00 0.00 O ATOM 91 CB TRP A 7 17.014 4.691 1.811 1.00 0.00 C ATOM 92 CG TRP A 7 17.291 5.604 0.656 1.00 0.00 C ATOM 93 CD1 TRP A 7 16.672 6.788 0.379 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.255 5.401 -0.382 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.193 7.336 -0.768 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.168 6.504 -1.254 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.186 4.395 -0.659 1.00 0.00 C ATOM 98 CZ2 TRP A 7 18.976 6.626 -2.382 1.00 0.00 C ATOM 99 CZ3 TRP A 7 19.987 4.518 -1.778 1.00 0.00 C ATOM 100 CH2 TRP A 7 19.878 5.627 -2.627 1.00 0.00 C ATOM 0 H TRP A 7 14.309 5.018 2.127 1.00 0.00 H new ATOM 0 HA TRP A 7 16.078 3.155 0.644 1.00 0.00 H new ATOM 0 HB2 TRP A 7 16.787 5.289 2.694 1.00 0.00 H new ATOM 0 HB3 TRP A 7 17.912 4.117 2.037 1.00 0.00 H new ATOM 0 HD1 TRP A 7 15.887 7.230 0.975 1.00 0.00 H new ATOM 0 HE1 TRP A 7 16.902 8.218 -1.189 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.277 3.537 -0.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 18.893 7.479 -3.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.709 3.747 -2.002 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.520 5.695 -3.493 1.00 0.00 H new ATOM 111 N GLY A 8 16.051 1.496 2.465 1.00 0.00 N ATOM 112 CA GLY A 8 15.930 0.487 3.513 1.00 0.00 C ATOM 113 C GLY A 8 17.006 -0.579 3.428 1.00 0.00 C ATOM 114 O GLY A 8 17.874 -0.520 2.558 1.00 0.00 O ATOM 0 H GLY A 8 16.417 1.155 1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.982 0.973 4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.950 0.014 3.445 1.00 0.00 H new ATOM 118 N ALA A 9 16.954 -1.554 4.335 1.00 0.00 N ATOM 119 CA ALA A 9 17.943 -2.627 4.349 1.00 0.00 C ATOM 120 C ALA A 9 17.282 -3.998 4.411 1.00 0.00 C ATOM 121 O ALA A 9 16.375 -4.231 5.207 1.00 0.00 O ATOM 122 CB ALA A 9 18.900 -2.456 5.515 1.00 0.00 C ATOM 0 H ALA A 9 16.243 -1.622 5.063 1.00 0.00 H new ATOM 0 HA ALA A 9 18.504 -2.566 3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.630 -3.266 5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.417 -1.501 5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.341 -2.479 6.451 1.00 0.00 H new ATOM 128 N LEU A 10 17.756 -4.903 3.565 1.00 0.00 N ATOM 129 CA LEU A 10 17.226 -6.265 3.510 1.00 0.00 C ATOM 130 C LEU A 10 17.212 -6.906 4.891 1.00 0.00 C ATOM 131 O LEU A 10 18.206 -6.867 5.617 1.00 0.00 O ATOM 132 CB LEU A 10 18.074 -7.107 2.555 1.00 0.00 C ATOM 133 CG LEU A 10 17.456 -8.437 2.112 1.00 0.00 C ATOM 134 CD1 LEU A 10 17.107 -8.393 0.634 1.00 0.00 C ATOM 135 CD2 LEU A 10 18.406 -9.587 2.402 1.00 0.00 C ATOM 0 H LEU A 10 18.510 -4.720 2.903 1.00 0.00 H new ATOM 0 HA LEU A 10 16.199 -6.220 3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.285 -6.512 1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.030 -7.314 3.035 1.00 0.00 H new ATOM 0 HG LEU A 10 16.539 -8.598 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 10 16.669 -9.345 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.391 -7.591 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.010 -8.211 0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.951 -10.524 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.340 -9.433 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.609 -9.630 3.472 1.00 0.00 H new ATOM 147 N GLY A 11 16.079 -7.500 5.246 1.00 0.00 N ATOM 148 CA GLY A 11 15.956 -8.146 6.537 1.00 0.00 C ATOM 149 C GLY A 11 15.453 -7.207 7.617 1.00 0.00 C ATOM 150 O GLY A 11 15.156 -7.642 8.730 1.00 0.00 O ATOM 0 H GLY A 11 15.244 -7.545 4.662 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.275 -8.993 6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.926 -8.546 6.832 1.00 0.00 H new ATOM 154 N HIS A 12 15.353 -5.918 7.296 1.00 0.00 N ATOM 155 CA HIS A 12 14.883 -4.936 8.254 1.00 0.00 C ATOM 156 C HIS A 12 13.478 -4.469 7.871 1.00 0.00 C ATOM 157 O HIS A 12 12.995 -4.767 6.776 1.00 0.00 O ATOM 158 CB HIS A 12 15.885 -3.773 8.317 1.00 0.00 C ATOM 159 CG HIS A 12 15.281 -2.420 8.496 1.00 0.00 C ATOM 160 ND1 HIS A 12 14.947 -1.620 7.434 1.00 0.00 N ATOM 161 CD2 HIS A 12 14.982 -1.715 9.612 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.470 -0.472 7.881 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.478 -0.505 9.202 1.00 0.00 N ATOM 0 H HIS A 12 15.592 -5.536 6.381 1.00 0.00 H new ATOM 0 HA HIS A 12 14.817 -5.376 9.249 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.577 -3.955 9.139 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.473 -3.772 7.399 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.115 -2.042 10.633 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.131 0.352 7.271 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.162 0.245 9.816 1.00 0.00 H new ATOM 172 N GLY A 13 12.823 -3.754 8.779 1.00 0.00 N ATOM 173 CA GLY A 13 11.476 -3.275 8.514 1.00 0.00 C ATOM 174 C GLY A 13 11.447 -2.170 7.479 1.00 0.00 C ATOM 175 O GLY A 13 12.473 -1.848 6.886 1.00 0.00 O ATOM 0 H GLY A 13 13.198 -3.497 9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.859 -4.106 8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.034 -2.911 9.442 1.00 0.00 H new ATOM 179 N ILE A 14 10.267 -1.592 7.263 1.00 0.00 N ATOM 180 CA ILE A 14 10.087 -0.510 6.293 1.00 0.00 C ATOM 181 C ILE A 14 8.608 -0.336 5.959 1.00 0.00 C ATOM 182 O ILE A 14 7.886 -1.315 5.763 1.00 0.00 O ATOM 183 CB ILE A 14 10.882 -0.759 4.989 1.00 0.00 C ATOM 184 CG1 ILE A 14 10.780 0.446 4.053 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.397 -2.021 4.295 1.00 0.00 C ATOM 186 CD1 ILE A 14 12.006 1.332 4.085 1.00 0.00 C ATOM 0 H ILE A 14 9.412 -1.858 7.752 1.00 0.00 H new ATOM 0 HA ILE A 14 10.472 0.399 6.755 1.00 0.00 H new ATOM 0 HB ILE A 14 11.931 -0.897 5.252 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.621 0.094 3.034 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.906 1.037 4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.970 -2.176 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.532 -2.876 4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.340 -1.917 4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.869 2.168 3.399 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.154 1.713 5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.880 0.755 3.783 1.00 0.00 H new ATOM 198 N ASP A 15 8.156 0.914 5.909 1.00 0.00 N ATOM 199 CA ASP A 15 6.757 1.201 5.611 1.00 0.00 C ATOM 200 C ASP A 15 6.624 2.178 4.447 1.00 0.00 C ATOM 201 O ASP A 15 7.182 3.275 4.475 1.00 0.00 O ATOM 202 CB ASP A 15 6.061 1.770 6.848 1.00 0.00 C ATOM 203 CG ASP A 15 4.576 1.988 6.628 1.00 0.00 C ATOM 204 OD1 ASP A 15 3.817 0.997 6.674 1.00 0.00 O ATOM 205 OD2 ASP A 15 4.173 3.149 6.409 1.00 0.00 O ATOM 0 H ASP A 15 8.734 1.739 6.070 1.00 0.00 H new ATOM 0 HA ASP A 15 6.279 0.265 5.324 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.205 1.090 7.687 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.528 2.716 7.121 1.00 0.00 H new ATOM 210 N LEU A 16 5.866 1.774 3.431 1.00 0.00 N ATOM 211 CA LEU A 16 5.640 2.616 2.260 1.00 0.00 C ATOM 212 C LEU A 16 4.613 3.696 2.592 1.00 0.00 C ATOM 213 O LEU A 16 3.495 3.390 3.005 1.00 0.00 O ATOM 214 CB LEU A 16 5.142 1.763 1.078 1.00 0.00 C ATOM 215 CG LEU A 16 6.117 1.527 -0.099 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.481 2.169 0.124 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.280 0.036 -0.357 1.00 0.00 C ATOM 0 H LEU A 16 5.398 0.868 3.395 1.00 0.00 H new ATOM 0 HA LEU A 16 6.581 3.089 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.846 0.789 1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.243 2.234 0.680 1.00 0.00 H new ATOM 0 HG LEU A 16 5.677 2.008 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.122 1.970 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.361 3.246 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.937 1.752 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.969 -0.116 -1.188 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.677 -0.447 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.311 -0.398 -0.604 1.00 0.00 H new ATOM 229 N ASP A 17 4.997 4.957 2.425 1.00 0.00 N ATOM 230 CA ASP A 17 4.101 6.067 2.728 1.00 0.00 C ATOM 231 C ASP A 17 3.518 6.691 1.464 1.00 0.00 C ATOM 232 O ASP A 17 4.248 7.141 0.580 1.00 0.00 O ATOM 233 CB ASP A 17 4.830 7.137 3.539 1.00 0.00 C ATOM 234 CG ASP A 17 5.306 6.620 4.881 1.00 0.00 C ATOM 235 OD1 ASP A 17 4.465 6.123 5.660 1.00 0.00 O ATOM 236 OD2 ASP A 17 6.522 6.712 5.155 1.00 0.00 O ATOM 0 H ASP A 17 5.917 5.235 2.084 1.00 0.00 H new ATOM 0 HA ASP A 17 3.277 5.662 3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.685 7.501 2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.165 7.987 3.695 1.00 0.00 H new ATOM 241 N ILE A 18 2.192 6.716 1.398 1.00 0.00 N ATOM 242 CA ILE A 18 1.477 7.284 0.263 1.00 0.00 C ATOM 243 C ILE A 18 1.376 8.806 0.380 1.00 0.00 C ATOM 244 O ILE A 18 0.804 9.322 1.340 1.00 0.00 O ATOM 245 CB ILE A 18 0.059 6.699 0.175 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.127 5.174 0.102 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.691 7.264 -1.026 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.091 4.550 -0.530 1.00 0.00 C ATOM 0 H ILE A 18 1.584 6.344 2.128 1.00 0.00 H new ATOM 0 HA ILE A 18 2.038 7.031 -0.637 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.490 6.983 1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.011 4.884 -0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.250 4.775 1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.692 6.834 -1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.765 8.347 -0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.153 7.015 -1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.976 3.466 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.976 4.810 0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.203 4.921 -1.549 1.00 0.00 H new ATOM 260 N PRO A 19 1.934 9.551 -0.592 1.00 0.00 N ATOM 261 CA PRO A 19 1.899 11.018 -0.576 1.00 0.00 C ATOM 262 C PRO A 19 0.478 11.581 -0.573 1.00 0.00 C ATOM 263 O PRO A 19 -0.362 11.192 -1.386 1.00 0.00 O ATOM 264 CB PRO A 19 2.627 11.414 -1.867 1.00 0.00 C ATOM 265 CG PRO A 19 3.444 10.222 -2.230 1.00 0.00 C ATOM 266 CD PRO A 19 2.651 9.032 -1.773 1.00 0.00 C ATOM 0 HA PRO A 19 2.358 11.415 0.329 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.920 11.664 -2.658 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.255 12.291 -1.713 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.624 10.183 -3.304 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.419 10.253 -1.744 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.963 8.684 -2.544 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.295 8.191 -1.518 1.00 0.00 H new ATOM 274 N ASN A 20 0.231 12.514 0.344 1.00 0.00 N ATOM 275 CA ASN A 20 -1.072 13.172 0.471 1.00 0.00 C ATOM 276 C ASN A 20 -2.250 12.198 0.348 1.00 0.00 C ATOM 277 O ASN A 20 -3.046 12.292 -0.589 1.00 0.00 O ATOM 278 CB ASN A 20 -1.203 14.275 -0.581 1.00 0.00 C ATOM 279 CG ASN A 20 -2.386 15.187 -0.319 1.00 0.00 C ATOM 280 OD1 ASN A 20 -3.323 15.252 -1.114 1.00 0.00 O ATOM 281 ND2 ASN A 20 -2.348 15.898 0.803 1.00 0.00 N ATOM 0 H ASN A 20 0.925 12.836 1.019 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.114 13.598 1.473 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.288 14.867 -0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.308 13.822 -1.567 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.116 16.529 1.033 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.551 15.813 1.434 1.00 0.00 H new ATOM 288 N PHE A 21 -2.370 11.276 1.301 1.00 0.00 N ATOM 289 CA PHE A 21 -3.456 10.310 1.297 1.00 0.00 C ATOM 290 C PHE A 21 -3.955 10.058 2.719 1.00 0.00 C ATOM 291 O PHE A 21 -3.189 10.141 3.680 1.00 0.00 O ATOM 292 CB PHE A 21 -2.984 9.011 0.654 1.00 0.00 C ATOM 293 CG PHE A 21 -3.770 7.799 1.054 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.093 7.662 0.678 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.184 6.805 1.810 1.00 0.00 C ATOM 296 CE1 PHE A 21 -5.820 6.547 1.053 1.00 0.00 C ATOM 297 CE2 PHE A 21 -3.901 5.688 2.191 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.223 5.560 1.812 1.00 0.00 C ATOM 0 H PHE A 21 -1.725 11.181 2.085 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.286 10.711 0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.032 9.118 -0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.937 8.852 0.913 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.563 8.433 0.086 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.150 6.902 2.108 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.853 6.448 0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.430 4.917 2.783 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.789 4.689 2.109 1.00 0.00 H new ATOM 308 N GLN A 22 -5.242 9.753 2.845 1.00 0.00 N ATOM 309 CA GLN A 22 -5.842 9.489 4.147 1.00 0.00 C ATOM 310 C GLN A 22 -6.918 8.413 4.044 1.00 0.00 C ATOM 311 O GLN A 22 -7.943 8.607 3.390 1.00 0.00 O ATOM 312 CB GLN A 22 -6.442 10.772 4.725 1.00 0.00 C ATOM 313 CG GLN A 22 -5.452 11.598 5.531 1.00 0.00 C ATOM 314 CD GLN A 22 -6.022 12.937 5.958 1.00 0.00 C ATOM 315 OE1 GLN A 22 -5.925 13.926 5.231 1.00 0.00 O ATOM 316 NE2 GLN A 22 -6.619 12.975 7.143 1.00 0.00 N ATOM 0 H GLN A 22 -5.890 9.683 2.060 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.058 9.130 4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.831 11.381 3.909 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.289 10.513 5.361 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.151 11.037 6.416 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.553 11.763 4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.676 12.131 7.712 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.020 13.849 7.484 1.00 0.00 H new ATOM 325 N MET A 23 -6.677 7.277 4.692 1.00 0.00 N ATOM 326 CA MET A 23 -7.625 6.170 4.671 1.00 0.00 C ATOM 327 C MET A 23 -8.784 6.429 5.630 1.00 0.00 C ATOM 328 O MET A 23 -8.842 5.858 6.719 1.00 0.00 O ATOM 329 CB MET A 23 -6.923 4.862 5.041 1.00 0.00 C ATOM 330 CG MET A 23 -7.720 3.621 4.676 1.00 0.00 C ATOM 331 SD MET A 23 -7.506 2.283 5.865 1.00 0.00 S ATOM 332 CE MET A 23 -7.692 0.853 4.804 1.00 0.00 C ATOM 0 H MET A 23 -5.834 7.100 5.238 1.00 0.00 H new ATOM 0 HA MET A 23 -8.025 6.085 3.661 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.956 4.824 4.539 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.726 4.855 6.113 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.777 3.879 4.612 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.415 3.276 3.688 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.585 -0.056 5.396 1.00 0.00 H new ATOM 0 HE2 MET A 23 -8.678 0.870 4.340 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.926 0.873 4.029 1.00 0.00 H new ATOM 342 N THR A 24 -9.704 7.294 5.217 1.00 0.00 N ATOM 343 CA THR A 24 -10.862 7.630 6.037 1.00 0.00 C ATOM 344 C THR A 24 -12.121 6.959 5.498 1.00 0.00 C ATOM 345 O THR A 24 -12.059 6.155 4.569 1.00 0.00 O ATOM 346 CB THR A 24 -11.055 9.147 6.087 1.00 0.00 C ATOM 347 OG1 THR A 24 -10.423 9.769 4.983 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.504 9.779 7.347 1.00 0.00 C ATOM 0 H THR A 24 -9.670 7.776 4.318 1.00 0.00 H new ATOM 0 HA THR A 24 -10.682 7.263 7.047 1.00 0.00 H new ATOM 0 HB THR A 24 -12.134 9.302 6.064 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.973 10.517 4.670 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.674 10.855 7.318 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.007 9.355 8.216 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.434 9.582 7.415 1.00 0.00 H new ATOM 356 N ASP A 25 -13.264 7.295 6.088 1.00 0.00 N ATOM 357 CA ASP A 25 -14.540 6.726 5.666 1.00 0.00 C ATOM 358 C ASP A 25 -14.792 6.986 4.184 1.00 0.00 C ATOM 359 O ASP A 25 -15.440 6.191 3.505 1.00 0.00 O ATOM 360 CB ASP A 25 -15.683 7.308 6.500 1.00 0.00 C ATOM 361 CG ASP A 25 -15.729 6.732 7.901 1.00 0.00 C ATOM 362 OD1 ASP A 25 -15.958 5.511 8.033 1.00 0.00 O ATOM 363 OD2 ASP A 25 -15.534 7.500 8.866 1.00 0.00 O ATOM 0 H ASP A 25 -13.333 7.958 6.860 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.496 5.648 5.823 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.571 8.391 6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.631 7.112 5.999 1.00 0.00 H new ATOM 368 N ASP A 26 -14.274 8.105 3.690 1.00 0.00 N ATOM 369 CA ASP A 26 -14.442 8.470 2.288 1.00 0.00 C ATOM 370 C ASP A 26 -13.729 7.477 1.375 1.00 0.00 C ATOM 371 O ASP A 26 -14.117 7.291 0.222 1.00 0.00 O ATOM 372 CB ASP A 26 -13.909 9.883 2.038 1.00 0.00 C ATOM 373 CG ASP A 26 -12.524 10.089 2.619 1.00 0.00 C ATOM 374 OD1 ASP A 26 -11.536 9.749 1.934 1.00 0.00 O ATOM 375 OD2 ASP A 26 -12.427 10.592 3.758 1.00 0.00 O ATOM 0 H ASP A 26 -13.735 8.775 4.239 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.507 8.445 2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.882 10.074 0.965 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -14.595 10.610 2.474 1.00 0.00 H new ATOM 380 N ILE A 27 -12.686 6.840 1.898 1.00 0.00 N ATOM 381 CA ILE A 27 -11.921 5.868 1.134 1.00 0.00 C ATOM 382 C ILE A 27 -12.576 4.481 1.226 1.00 0.00 C ATOM 383 O ILE A 27 -12.850 3.999 2.325 1.00 0.00 O ATOM 384 CB ILE A 27 -10.473 5.799 1.656 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.787 7.157 1.483 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.686 4.711 0.941 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.789 7.660 0.055 1.00 0.00 C ATOM 0 H ILE A 27 -12.353 6.982 2.851 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.907 6.183 0.091 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.502 5.550 2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.285 7.890 2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.757 7.081 1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.668 4.684 1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.164 3.746 1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.662 4.922 -0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.287 8.626 0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.265 6.948 -0.582 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.817 7.769 -0.291 1.00 0.00 H new ATOM 399 N ASP A 28 -12.842 3.842 0.080 1.00 0.00 N ATOM 400 CA ASP A 28 -13.478 2.531 0.075 1.00 0.00 C ATOM 401 C ASP A 28 -12.539 1.441 -0.435 1.00 0.00 C ATOM 402 O ASP A 28 -12.512 0.340 0.117 1.00 0.00 O ATOM 403 CB ASP A 28 -14.746 2.561 -0.782 1.00 0.00 C ATOM 404 CG ASP A 28 -15.988 2.213 0.015 1.00 0.00 C ATOM 405 OD1 ASP A 28 -15.987 2.434 1.244 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.963 1.720 -0.591 1.00 0.00 O ATOM 0 H ASP A 28 -12.626 4.213 -0.845 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.737 2.293 1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.863 3.553 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.639 1.859 -1.609 1.00 0.00 H new ATOM 411 N GLU A 29 -11.781 1.725 -1.497 1.00 0.00 N ATOM 412 CA GLU A 29 -10.880 0.719 -2.047 1.00 0.00 C ATOM 413 C GLU A 29 -9.455 1.254 -2.203 1.00 0.00 C ATOM 414 O GLU A 29 -9.246 2.391 -2.627 1.00 0.00 O ATOM 415 CB GLU A 29 -11.414 0.217 -3.392 1.00 0.00 C ATOM 416 CG GLU A 29 -10.924 -1.163 -3.758 1.00 0.00 C ATOM 417 CD GLU A 29 -9.422 -1.227 -3.936 1.00 0.00 C ATOM 418 OE1 GLU A 29 -8.841 -0.233 -4.421 1.00 0.00 O ATOM 419 OE2 GLU A 29 -8.826 -2.268 -3.589 1.00 0.00 O ATOM 0 H GLU A 29 -11.774 2.623 -1.981 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.839 -0.112 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.504 0.211 -3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.121 0.917 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.223 -1.867 -2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.408 -1.482 -4.681 1.00 0.00 H new ATOM 426 N VAL A 30 -8.478 0.412 -1.860 1.00 0.00 N ATOM 427 CA VAL A 30 -7.062 0.771 -1.961 1.00 0.00 C ATOM 428 C VAL A 30 -6.232 -0.451 -2.351 1.00 0.00 C ATOM 429 O VAL A 30 -6.290 -1.481 -1.685 1.00 0.00 O ATOM 430 CB VAL A 30 -6.524 1.341 -0.629 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.037 1.654 -0.732 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.310 2.579 -0.225 1.00 0.00 C ATOM 0 H VAL A 30 -8.644 -0.531 -1.507 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.976 1.540 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.654 0.584 0.144 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.683 2.054 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.489 0.742 -0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.874 2.390 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.918 2.968 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.215 3.339 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.361 2.318 -0.100 1.00 0.00 H new ATOM 442 N ARG A 31 -5.471 -0.343 -3.437 1.00 0.00 N ATOM 443 CA ARG A 31 -4.653 -1.465 -3.898 1.00 0.00 C ATOM 444 C ARG A 31 -3.165 -1.131 -3.901 1.00 0.00 C ATOM 445 O ARG A 31 -2.758 -0.044 -4.308 1.00 0.00 O ATOM 446 CB ARG A 31 -5.076 -1.903 -5.305 1.00 0.00 C ATOM 447 CG ARG A 31 -6.539 -1.634 -5.622 1.00 0.00 C ATOM 448 CD ARG A 31 -7.159 -2.775 -6.411 1.00 0.00 C ATOM 449 NE ARG A 31 -7.270 -2.460 -7.834 1.00 0.00 N ATOM 450 CZ ARG A 31 -8.237 -1.708 -8.354 1.00 0.00 C ATOM 451 NH1 ARG A 31 -9.178 -1.190 -7.574 1.00 0.00 N ATOM 452 NH2 ARG A 31 -8.263 -1.472 -9.659 1.00 0.00 N ATOM 0 H ARG A 31 -5.402 0.499 -4.009 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.817 -2.281 -3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.455 -1.387 -6.037 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.881 -2.970 -5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.092 -1.490 -4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.624 -0.708 -6.191 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.555 -3.673 -6.285 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.148 -2.997 -6.011 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.565 -2.839 -8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.163 -1.367 -6.570 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.916 -0.614 -7.979 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.542 -1.867 -10.263 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.004 -0.896 -10.058 1.00 0.00 H new ATOM 466 N TRP A 32 -2.362 -2.100 -3.472 1.00 0.00 N ATOM 467 CA TRP A 32 -0.911 -1.958 -3.448 1.00 0.00 C ATOM 468 C TRP A 32 -0.314 -2.894 -4.490 1.00 0.00 C ATOM 469 O TRP A 32 0.076 -4.021 -4.179 1.00 0.00 O ATOM 470 CB TRP A 32 -0.350 -2.293 -2.061 1.00 0.00 C ATOM 471 CG TRP A 32 -0.513 -1.197 -1.046 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.588 -0.979 -0.228 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.440 -0.177 -0.732 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.359 0.117 0.570 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.121 0.628 0.277 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.714 0.133 -1.210 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.551 1.725 0.816 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.380 1.221 -0.676 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.797 2.005 0.327 1.00 0.00 C ATOM 0 H TRP A 32 -2.697 -3.002 -3.133 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.648 -0.925 -3.674 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.843 -3.192 -1.690 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.710 -2.528 -2.158 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.485 -1.580 -0.212 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.005 0.489 1.266 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.172 -0.466 -1.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.104 2.331 1.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.366 1.470 -1.039 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.343 2.849 0.723 1.00 0.00 H new ATOM 490 N GLU A 33 -0.283 -2.438 -5.738 1.00 0.00 N ATOM 491 CA GLU A 33 0.224 -3.255 -6.832 1.00 0.00 C ATOM 492 C GLU A 33 1.683 -2.953 -7.153 1.00 0.00 C ATOM 493 O GLU A 33 2.164 -1.837 -6.961 1.00 0.00 O ATOM 494 CB GLU A 33 -0.631 -3.050 -8.083 1.00 0.00 C ATOM 495 CG GLU A 33 -2.110 -3.318 -7.857 1.00 0.00 C ATOM 496 CD GLU A 33 -2.910 -3.299 -9.147 1.00 0.00 C ATOM 497 OE1 GLU A 33 -2.863 -4.303 -9.889 1.00 0.00 O ATOM 498 OE2 GLU A 33 -3.581 -2.280 -9.414 1.00 0.00 O ATOM 0 H GLU A 33 -0.602 -1.510 -6.015 1.00 0.00 H new ATOM 0 HA GLU A 33 0.166 -4.294 -6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.505 -2.026 -8.436 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.268 -3.707 -8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.230 -4.287 -7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.511 -2.569 -7.174 1.00 0.00 H new ATOM 505 N ARG A 34 2.368 -3.969 -7.664 1.00 0.00 N ATOM 506 CA ARG A 34 3.767 -3.855 -8.047 1.00 0.00 C ATOM 507 C ARG A 34 4.021 -4.692 -9.294 1.00 0.00 C ATOM 508 O ARG A 34 3.855 -5.913 -9.275 1.00 0.00 O ATOM 509 CB ARG A 34 4.677 -4.318 -6.907 1.00 0.00 C ATOM 510 CG ARG A 34 5.990 -3.558 -6.832 1.00 0.00 C ATOM 511 CD ARG A 34 6.910 -4.135 -5.768 1.00 0.00 C ATOM 512 NE ARG A 34 7.703 -5.253 -6.274 1.00 0.00 N ATOM 513 CZ ARG A 34 7.308 -6.525 -6.236 1.00 0.00 C ATOM 514 NH1 ARG A 34 6.131 -6.851 -5.717 1.00 0.00 N ATOM 515 NH2 ARG A 34 8.095 -7.476 -6.722 1.00 0.00 N ATOM 0 H ARG A 34 1.968 -4.894 -7.824 1.00 0.00 H new ATOM 0 HA ARG A 34 3.992 -2.810 -8.260 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.147 -4.206 -5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.888 -5.380 -7.030 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.487 -3.593 -7.801 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.792 -2.509 -6.613 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.577 -3.354 -5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.315 -4.469 -4.918 1.00 0.00 H new ATOM 0 HE ARG A 34 8.615 -5.047 -6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.520 -6.125 -5.343 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.837 -7.827 -5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 34 9.000 -7.233 -7.124 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.795 -8.450 -6.694 1.00 0.00 H new ATOM 529 N GLY A 35 4.399 -4.035 -10.385 1.00 0.00 N ATOM 530 CA GLY A 35 4.639 -4.753 -11.622 1.00 0.00 C ATOM 531 C GLY A 35 3.417 -5.524 -12.066 1.00 0.00 C ATOM 532 O GLY A 35 2.384 -4.938 -12.389 1.00 0.00 O ATOM 0 H GLY A 35 4.542 -3.026 -10.435 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.928 -4.048 -12.402 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.474 -5.440 -11.488 1.00 0.00 H new ATOM 536 N SER A 36 3.535 -6.841 -12.073 1.00 0.00 N ATOM 537 CA SER A 36 2.433 -7.709 -12.468 1.00 0.00 C ATOM 538 C SER A 36 2.021 -8.620 -11.311 1.00 0.00 C ATOM 539 O SER A 36 1.808 -9.817 -11.498 1.00 0.00 O ATOM 540 CB SER A 36 2.828 -8.550 -13.682 1.00 0.00 C ATOM 541 OG SER A 36 2.849 -7.765 -14.861 1.00 0.00 O ATOM 0 H SER A 36 4.386 -7.337 -11.809 1.00 0.00 H new ATOM 0 HA SER A 36 1.583 -7.081 -12.734 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.811 -8.992 -13.518 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.124 -9.374 -13.802 1.00 0.00 H new ATOM 0 HG SER A 36 3.106 -8.326 -15.623 1.00 0.00 H new ATOM 547 N THR A 37 1.921 -8.045 -10.113 1.00 0.00 N ATOM 548 CA THR A 37 1.545 -8.814 -8.930 1.00 0.00 C ATOM 549 C THR A 37 0.873 -7.927 -7.882 1.00 0.00 C ATOM 550 O THR A 37 1.033 -6.706 -7.891 1.00 0.00 O ATOM 551 CB THR A 37 2.789 -9.477 -8.330 1.00 0.00 C ATOM 552 OG1 THR A 37 3.380 -10.364 -9.262 1.00 0.00 O ATOM 553 CG2 THR A 37 2.513 -10.262 -7.065 1.00 0.00 C ATOM 0 H THR A 37 2.094 -7.055 -9.938 1.00 0.00 H new ATOM 0 HA THR A 37 0.830 -9.579 -9.233 1.00 0.00 H new ATOM 0 HB THR A 37 3.457 -8.652 -8.082 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.174 -10.777 -8.862 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.441 -10.702 -6.700 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.104 -9.596 -6.306 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.795 -11.054 -7.278 1.00 0.00 H new ATOM 561 N LEU A 38 0.138 -8.555 -6.965 1.00 0.00 N ATOM 562 CA LEU A 38 -0.537 -7.825 -5.891 1.00 0.00 C ATOM 563 C LEU A 38 0.219 -8.019 -4.590 1.00 0.00 C ATOM 564 O LEU A 38 0.814 -9.071 -4.358 1.00 0.00 O ATOM 565 CB LEU A 38 -1.982 -8.307 -5.702 1.00 0.00 C ATOM 566 CG LEU A 38 -3.072 -7.439 -6.339 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.403 -8.166 -6.276 1.00 0.00 C ATOM 568 CD2 LEU A 38 -3.162 -6.094 -5.633 1.00 0.00 C ATOM 0 H LEU A 38 -0.005 -9.565 -6.943 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.557 -6.771 -6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.064 -9.314 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.182 -8.379 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.818 -7.256 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.177 -7.547 -6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.329 -9.109 -6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.660 -8.365 -5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.941 -5.490 -6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.403 -6.250 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.206 -5.577 -5.713 1.00 0.00 H new ATOM 580 N VAL A 39 0.191 -7.008 -3.739 1.00 0.00 N ATOM 581 CA VAL A 39 0.872 -7.084 -2.463 1.00 0.00 C ATOM 582 C VAL A 39 -0.122 -6.937 -1.315 1.00 0.00 C ATOM 583 O VAL A 39 -0.044 -7.654 -0.316 1.00 0.00 O ATOM 584 CB VAL A 39 1.970 -6.005 -2.357 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.482 -5.890 -0.932 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.116 -6.319 -3.315 1.00 0.00 C ATOM 0 H VAL A 39 -0.295 -6.128 -3.910 1.00 0.00 H new ATOM 0 HA VAL A 39 1.346 -8.063 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 39 1.535 -5.046 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.255 -5.123 -0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.659 -5.618 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.900 -6.846 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.883 -5.549 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.545 -7.289 -3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.739 -6.343 -4.337 1.00 0.00 H new ATOM 596 N ALA A 40 -1.058 -6.007 -1.468 1.00 0.00 N ATOM 597 CA ALA A 40 -2.068 -5.771 -0.440 1.00 0.00 C ATOM 598 C ALA A 40 -3.118 -4.760 -0.891 1.00 0.00 C ATOM 599 O ALA A 40 -2.812 -3.590 -1.114 1.00 0.00 O ATOM 600 CB ALA A 40 -1.404 -5.291 0.841 1.00 0.00 C ATOM 0 H ALA A 40 -1.140 -5.407 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.578 -6.717 -0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.165 -5.117 1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.704 -6.048 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.867 -4.363 0.647 1.00 0.00 H new ATOM 606 N GLU A 41 -4.362 -5.211 -1.006 1.00 0.00 N ATOM 607 CA GLU A 41 -5.452 -4.334 -1.413 1.00 0.00 C ATOM 608 C GLU A 41 -6.578 -4.352 -0.379 1.00 0.00 C ATOM 609 O GLU A 41 -6.686 -5.278 0.425 1.00 0.00 O ATOM 610 CB GLU A 41 -5.982 -4.737 -2.794 1.00 0.00 C ATOM 611 CG GLU A 41 -6.992 -5.873 -2.765 1.00 0.00 C ATOM 612 CD GLU A 41 -6.651 -6.983 -3.739 1.00 0.00 C ATOM 613 OE1 GLU A 41 -5.450 -7.281 -3.901 1.00 0.00 O ATOM 614 OE2 GLU A 41 -7.585 -7.553 -4.341 1.00 0.00 O ATOM 0 H GLU A 41 -4.640 -6.175 -0.824 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.064 -3.317 -1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.443 -3.867 -3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.141 -5.029 -3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.043 -6.283 -1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.981 -5.480 -3.000 1.00 0.00 H new ATOM 621 N PHE A 42 -7.405 -3.316 -0.406 1.00 0.00 N ATOM 622 CA PHE A 42 -8.518 -3.186 0.517 1.00 0.00 C ATOM 623 C PHE A 42 -9.824 -2.964 -0.235 1.00 0.00 C ATOM 624 O PHE A 42 -9.835 -2.378 -1.318 1.00 0.00 O ATOM 625 CB PHE A 42 -8.259 -2.018 1.463 1.00 0.00 C ATOM 626 CG PHE A 42 -9.345 -1.813 2.479 1.00 0.00 C ATOM 627 CD1 PHE A 42 -9.381 -2.565 3.642 1.00 0.00 C ATOM 628 CD2 PHE A 42 -10.331 -0.863 2.268 1.00 0.00 C ATOM 629 CE1 PHE A 42 -10.381 -2.374 4.576 1.00 0.00 C ATOM 630 CE2 PHE A 42 -11.334 -0.668 3.197 1.00 0.00 C ATOM 631 CZ PHE A 42 -11.360 -1.424 4.354 1.00 0.00 C ATOM 0 H PHE A 42 -7.321 -2.545 -1.068 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.607 -4.110 1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.315 -2.184 1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.144 -1.106 0.877 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.619 -3.309 3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.315 -0.268 1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.398 -2.967 5.479 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.098 0.075 3.020 1.00 0.00 H new ATOM 0 HZ PHE A 42 -12.143 -1.273 5.082 1.00 0.00 H new ATOM 748 N PRO A 48 -9.873 -8.478 1.827 1.00 0.00 N ATOM 749 CA PRO A 48 -8.523 -8.046 1.476 1.00 0.00 C ATOM 750 C PRO A 48 -7.678 -9.180 0.904 1.00 0.00 C ATOM 751 O PRO A 48 -7.990 -10.356 1.086 1.00 0.00 O ATOM 752 CB PRO A 48 -7.935 -7.560 2.808 1.00 0.00 C ATOM 753 CG PRO A 48 -8.973 -7.827 3.858 1.00 0.00 C ATOM 754 CD PRO A 48 -9.975 -8.773 3.256 1.00 0.00 C ATOM 0 HA PRO A 48 -8.536 -7.281 0.700 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.008 -8.086 3.037 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -7.696 -6.498 2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.518 -8.262 4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.456 -6.900 4.168 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -9.732 -9.813 3.474 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.981 -8.594 3.636 1.00 0.00 H new ATOM 762 N PHE A 49 -6.602 -8.813 0.213 1.00 0.00 N ATOM 763 CA PHE A 49 -5.701 -9.793 -0.386 1.00 0.00 C ATOM 764 C PHE A 49 -4.258 -9.538 0.039 1.00 0.00 C ATOM 765 O PHE A 49 -3.579 -8.678 -0.523 1.00 0.00 O ATOM 766 CB PHE A 49 -5.802 -9.750 -1.914 1.00 0.00 C ATOM 767 CG PHE A 49 -4.700 -10.500 -2.616 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.828 -11.852 -2.888 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.534 -9.851 -2.997 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.815 -12.544 -3.526 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.520 -10.537 -3.635 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.659 -11.885 -3.899 1.00 0.00 C ATOM 0 H PHE A 49 -6.333 -7.842 0.054 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.000 -10.780 -0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.763 -10.166 -2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.787 -8.710 -2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.729 -12.372 -2.598 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.419 -8.797 -2.792 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.927 -13.598 -3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.618 -10.019 -3.927 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.866 -12.423 -4.396 1.00 0.00 H new ATOM 782 N LEU A 50 -3.791 -10.295 1.022 1.00 0.00 N ATOM 783 CA LEU A 50 -2.430 -10.159 1.505 1.00 0.00 C ATOM 784 C LEU A 50 -1.508 -11.119 0.756 1.00 0.00 C ATOM 785 O LEU A 50 -1.581 -12.333 0.946 1.00 0.00 O ATOM 786 CB LEU A 50 -2.379 -10.442 3.007 1.00 0.00 C ATOM 787 CG LEU A 50 -2.552 -9.217 3.908 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.509 -9.621 5.374 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.480 -8.181 3.608 1.00 0.00 C ATOM 0 H LEU A 50 -4.339 -11.011 1.500 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.091 -9.138 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.157 -11.165 3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.423 -10.912 3.240 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.527 -8.774 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.634 -8.737 5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.313 -10.327 5.580 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.549 -10.089 5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.618 -7.316 4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.496 -8.614 3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.557 -7.868 2.567 1.00 0.00 H new ATOM 801 N LYS A 51 -0.649 -10.574 -0.104 1.00 0.00 N ATOM 802 CA LYS A 51 0.273 -11.395 -0.888 1.00 0.00 C ATOM 803 C LYS A 51 0.987 -12.423 -0.014 1.00 0.00 C ATOM 804 O LYS A 51 1.287 -13.529 -0.463 1.00 0.00 O ATOM 805 CB LYS A 51 1.298 -10.509 -1.598 1.00 0.00 C ATOM 806 CG LYS A 51 2.298 -11.286 -2.441 1.00 0.00 C ATOM 807 CD LYS A 51 3.682 -10.662 -2.379 1.00 0.00 C ATOM 808 CE LYS A 51 3.963 -9.807 -3.605 1.00 0.00 C ATOM 809 NZ LYS A 51 5.229 -9.036 -3.467 1.00 0.00 N ATOM 0 H LYS A 51 -0.572 -9.571 -0.275 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.313 -11.935 -1.632 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.772 -9.800 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.840 -9.926 -0.853 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.347 -12.317 -2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.957 -11.316 -3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.767 -10.051 -1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.433 -11.448 -2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.021 -10.445 -4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.134 -9.118 -3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.093 -8.075 -3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.496 -8.983 -2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.985 -9.511 -4.001 1.00 0.00 H new ATOM 823 N SER A 52 1.256 -12.057 1.236 1.00 0.00 N ATOM 824 CA SER A 52 1.934 -12.958 2.161 1.00 0.00 C ATOM 825 C SER A 52 1.994 -12.365 3.565 1.00 0.00 C ATOM 826 O SER A 52 1.786 -11.167 3.755 1.00 0.00 O ATOM 827 CB SER A 52 3.349 -13.261 1.663 1.00 0.00 C ATOM 828 OG SER A 52 4.127 -12.078 1.589 1.00 0.00 O ATOM 0 H SER A 52 1.016 -11.147 1.630 1.00 0.00 H new ATOM 0 HA SER A 52 1.362 -13.885 2.206 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.829 -13.975 2.333 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.300 -13.730 0.680 1.00 0.00 H new ATOM 0 HG SER A 52 5.027 -12.298 1.270 1.00 0.00 H new ATOM 834 N GLY A 53 2.275 -13.219 4.547 1.00 0.00 N ATOM 835 CA GLY A 53 2.351 -12.761 5.930 1.00 0.00 C ATOM 836 C GLY A 53 3.476 -11.759 6.165 1.00 0.00 C ATOM 837 O GLY A 53 3.579 -11.192 7.254 1.00 0.00 O ATOM 0 H GLY A 53 2.451 -14.215 4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.401 -12.304 6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.495 -13.621 6.584 1.00 0.00 H new ATOM 841 N ALA A 54 4.327 -11.532 5.155 1.00 0.00 N ATOM 842 CA ALA A 54 5.435 -10.593 5.293 1.00 0.00 C ATOM 843 C ALA A 54 4.976 -9.142 5.157 1.00 0.00 C ATOM 844 O ALA A 54 5.799 -8.225 5.147 1.00 0.00 O ATOM 845 CB ALA A 54 6.514 -10.900 4.265 1.00 0.00 C ATOM 0 H ALA A 54 4.266 -11.984 4.243 1.00 0.00 H new ATOM 0 HA ALA A 54 5.844 -10.715 6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.336 -10.193 4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.884 -11.914 4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.096 -10.814 3.262 1.00 0.00 H new ATOM 851 N PHE A 55 3.667 -8.932 5.054 1.00 0.00 N ATOM 852 CA PHE A 55 3.124 -7.586 4.919 1.00 0.00 C ATOM 853 C PHE A 55 1.956 -7.359 5.870 1.00 0.00 C ATOM 854 O PHE A 55 1.302 -8.304 6.311 1.00 0.00 O ATOM 855 CB PHE A 55 2.658 -7.336 3.486 1.00 0.00 C ATOM 856 CG PHE A 55 3.723 -7.557 2.454 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.675 -6.583 2.219 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.769 -8.729 1.718 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.657 -6.769 1.268 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.748 -8.922 0.763 1.00 0.00 C ATOM 861 CZ PHE A 55 5.693 -7.941 0.536 1.00 0.00 C ATOM 0 H PHE A 55 2.966 -9.673 5.061 1.00 0.00 H new ATOM 0 HA PHE A 55 3.923 -6.889 5.172 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.814 -7.991 3.269 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.295 -6.311 3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.650 -5.665 2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.032 -9.499 1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.396 -6.001 1.096 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.774 -9.840 0.194 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.458 -8.089 -0.212 1.00 0.00 H new ATOM 871 N GLU A 56 1.697 -6.092 6.164 1.00 0.00 N ATOM 872 CA GLU A 56 0.603 -5.713 7.043 1.00 0.00 C ATOM 873 C GLU A 56 0.047 -4.357 6.628 1.00 0.00 C ATOM 874 O GLU A 56 0.762 -3.351 6.640 1.00 0.00 O ATOM 875 CB GLU A 56 1.076 -5.667 8.498 1.00 0.00 C ATOM 876 CG GLU A 56 -0.061 -5.594 9.504 1.00 0.00 C ATOM 877 CD GLU A 56 -0.677 -6.951 9.785 1.00 0.00 C ATOM 878 OE1 GLU A 56 -0.826 -7.744 8.832 1.00 0.00 O ATOM 879 OE2 GLU A 56 -1.010 -7.221 10.958 1.00 0.00 O ATOM 0 H GLU A 56 2.235 -5.305 5.802 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.186 -6.460 6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.677 -6.553 8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.726 -4.802 8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.310 -5.167 10.436 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.831 -4.920 9.129 1.00 0.00 H new ATOM 886 N ILE A 57 -1.224 -4.337 6.243 1.00 0.00 N ATOM 887 CA ILE A 57 -1.867 -3.103 5.811 1.00 0.00 C ATOM 888 C ILE A 57 -2.244 -2.225 7.002 1.00 0.00 C ATOM 889 O ILE A 57 -3.273 -2.432 7.643 1.00 0.00 O ATOM 890 CB ILE A 57 -3.124 -3.384 4.956 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.684 -2.076 4.394 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.184 -4.120 5.767 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.476 -2.256 3.117 1.00 0.00 C ATOM 0 H ILE A 57 -1.828 -5.159 6.221 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.141 -2.571 5.197 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.836 -4.026 4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.322 -1.611 5.145 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.859 -1.388 4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.057 -4.305 5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.780 -5.070 6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.474 -3.512 6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.842 -1.288 2.776 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.836 -2.692 2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.321 -2.918 3.303 1.00 0.00 H new ATOM 905 N LEU A 58 -1.399 -1.241 7.289 1.00 0.00 N ATOM 906 CA LEU A 58 -1.633 -0.324 8.400 1.00 0.00 C ATOM 907 C LEU A 58 -3.037 0.277 8.329 1.00 0.00 C ATOM 908 O LEU A 58 -3.694 0.223 7.289 1.00 0.00 O ATOM 909 CB LEU A 58 -0.581 0.789 8.393 1.00 0.00 C ATOM 910 CG LEU A 58 0.384 0.782 9.582 1.00 0.00 C ATOM 911 CD1 LEU A 58 0.937 -0.616 9.818 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.515 1.771 9.349 1.00 0.00 C ATOM 0 H LEU A 58 -0.543 -1.057 6.766 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.552 -0.887 9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.000 0.712 7.474 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.093 1.751 8.367 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.165 1.085 10.473 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.620 -0.598 10.667 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.116 -1.302 10.027 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.472 -0.951 8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.193 1.756 10.202 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.060 1.494 8.447 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.103 2.773 9.231 1.00 0.00 H new ATOM 924 N ALA A 59 -3.489 0.844 9.442 1.00 0.00 N ATOM 925 CA ALA A 59 -4.813 1.451 9.510 1.00 0.00 C ATOM 926 C ALA A 59 -4.906 2.695 8.632 1.00 0.00 C ATOM 927 O ALA A 59 -5.998 3.104 8.236 1.00 0.00 O ATOM 928 CB ALA A 59 -5.161 1.794 10.950 1.00 0.00 C ATOM 0 H ALA A 59 -2.957 0.896 10.311 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.532 0.724 9.132 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.152 2.247 10.987 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.154 0.886 11.552 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.427 2.496 11.344 1.00 0.00 H new ATOM 934 N ASN A 60 -3.759 3.298 8.333 1.00 0.00 N ATOM 935 CA ASN A 60 -3.722 4.499 7.504 1.00 0.00 C ATOM 936 C ASN A 60 -3.434 4.155 6.045 1.00 0.00 C ATOM 937 O ASN A 60 -2.798 4.928 5.330 1.00 0.00 O ATOM 938 CB ASN A 60 -2.667 5.476 8.027 1.00 0.00 C ATOM 939 CG ASN A 60 -1.343 4.799 8.327 1.00 0.00 C ATOM 940 OD1 ASN A 60 -1.207 4.278 9.540 1.00 0.00 O flip ATOM 941 ND2 ASN A 60 -0.454 4.746 7.479 1.00 0.00 N flip ATOM 0 H ASN A 60 -2.845 2.976 8.651 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.703 4.970 7.557 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.509 6.264 7.290 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.039 5.956 8.932 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.602 5.160 6.559 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.431 4.288 7.696 1.00 0.00 H new ATOM 948 N GLY A 61 -3.911 2.993 5.607 1.00 0.00 N ATOM 949 CA GLY A 61 -3.698 2.572 4.233 1.00 0.00 C ATOM 950 C GLY A 61 -2.228 2.527 3.854 1.00 0.00 C ATOM 951 O GLY A 61 -1.863 2.853 2.723 1.00 0.00 O ATOM 0 H GLY A 61 -4.441 2.336 6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.137 1.585 4.088 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.221 3.255 3.563 1.00 0.00 H new ATOM 955 N ASP A 62 -1.383 2.123 4.797 1.00 0.00 N ATOM 956 CA ASP A 62 0.054 2.038 4.547 1.00 0.00 C ATOM 957 C ASP A 62 0.511 0.584 4.470 1.00 0.00 C ATOM 958 O ASP A 62 -0.149 -0.315 4.990 1.00 0.00 O ATOM 959 CB ASP A 62 0.839 2.777 5.637 1.00 0.00 C ATOM 960 CG ASP A 62 1.220 4.184 5.221 1.00 0.00 C ATOM 961 OD1 ASP A 62 0.318 5.043 5.138 1.00 0.00 O ATOM 962 OD2 ASP A 62 2.422 4.428 4.981 1.00 0.00 O ATOM 0 H ASP A 62 -1.666 1.850 5.738 1.00 0.00 H new ATOM 0 HA ASP A 62 0.253 2.514 3.587 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.240 2.820 6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.742 2.215 5.876 1.00 0.00 H new ATOM 967 N LEU A 63 1.649 0.363 3.819 1.00 0.00 N ATOM 968 CA LEU A 63 2.205 -0.987 3.672 1.00 0.00 C ATOM 969 C LEU A 63 3.307 -1.228 4.699 1.00 0.00 C ATOM 970 O LEU A 63 4.294 -0.495 4.738 1.00 0.00 O ATOM 971 CB LEU A 63 2.774 -1.170 2.265 1.00 0.00 C ATOM 972 CG LEU A 63 3.018 -2.617 1.839 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.716 -3.283 1.423 1.00 0.00 C ATOM 974 CD2 LEU A 63 4.028 -2.663 0.705 1.00 0.00 C ATOM 0 H LEU A 63 2.207 1.097 3.384 1.00 0.00 H new ATOM 0 HA LEU A 63 1.403 -1.707 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.090 -0.710 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.716 -0.626 2.199 1.00 0.00 H new ATOM 0 HG LEU A 63 3.421 -3.166 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.913 -4.312 1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.020 -3.276 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.280 -2.739 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.195 -3.698 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.646 -2.099 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.969 -2.224 1.038 1.00 0.00 H new ATOM 986 N LYS A 64 3.139 -2.253 5.529 1.00 0.00 N ATOM 987 CA LYS A 64 4.134 -2.568 6.548 1.00 0.00 C ATOM 988 C LYS A 64 4.878 -3.858 6.211 1.00 0.00 C ATOM 989 O LYS A 64 4.321 -4.952 6.312 1.00 0.00 O ATOM 990 CB LYS A 64 3.467 -2.694 7.920 1.00 0.00 C ATOM 991 CG LYS A 64 4.263 -2.052 9.044 1.00 0.00 C ATOM 992 CD LYS A 64 3.835 -2.580 10.403 1.00 0.00 C ATOM 993 CE LYS A 64 4.774 -3.668 10.898 1.00 0.00 C ATOM 994 NZ LYS A 64 4.971 -3.604 12.373 1.00 0.00 N ATOM 0 H LYS A 64 2.331 -2.875 5.517 1.00 0.00 H new ATOM 0 HA LYS A 64 4.857 -1.753 6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.479 -2.236 7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.319 -3.750 8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.325 -2.246 8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.129 -0.971 9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.813 -1.761 11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.821 -2.975 10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.372 -4.645 10.628 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.738 -3.570 10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.618 -4.362 12.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.378 -2.682 12.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.055 -3.723 12.851 1.00 0.00 H new ATOM 1008 N ILE A 65 6.142 -3.722 5.820 1.00 0.00 N ATOM 1009 CA ILE A 65 6.965 -4.878 5.478 1.00 0.00 C ATOM 1010 C ILE A 65 7.638 -5.442 6.729 1.00 0.00 C ATOM 1011 O ILE A 65 8.094 -4.688 7.588 1.00 0.00 O ATOM 1012 CB ILE A 65 8.046 -4.518 4.437 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.511 -3.470 3.447 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.513 -5.772 3.710 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.444 -3.188 2.287 1.00 0.00 C ATOM 0 H ILE A 65 6.618 -2.824 5.732 1.00 0.00 H new ATOM 0 HA ILE A 65 6.305 -5.629 5.045 1.00 0.00 H new ATOM 0 HB ILE A 65 8.903 -4.085 4.953 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.553 -3.811 3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.323 -2.540 3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.276 -5.506 2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.931 -6.476 4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.667 -6.234 3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.996 -2.439 1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.395 -2.816 2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.613 -4.106 1.724 1.00 0.00 H new ATOM 1027 N LYS A 66 7.681 -6.768 6.839 1.00 0.00 N ATOM 1028 CA LYS A 66 8.283 -7.419 8.004 1.00 0.00 C ATOM 1029 C LYS A 66 9.790 -7.576 7.850 1.00 0.00 C ATOM 1030 O LYS A 66 10.557 -7.270 8.763 1.00 0.00 O ATOM 1031 CB LYS A 66 7.638 -8.786 8.238 1.00 0.00 C ATOM 1032 CG LYS A 66 8.175 -9.511 9.462 1.00 0.00 C ATOM 1033 CD LYS A 66 7.503 -10.861 9.649 1.00 0.00 C ATOM 1034 CE LYS A 66 7.390 -11.227 11.120 1.00 0.00 C ATOM 1035 NZ LYS A 66 6.042 -10.913 11.668 1.00 0.00 N ATOM 0 H LYS A 66 7.309 -7.411 6.140 1.00 0.00 H new ATOM 0 HA LYS A 66 8.101 -6.778 8.867 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.561 -8.657 8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.797 -9.409 7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.251 -9.650 9.361 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.015 -8.898 10.349 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.510 -10.840 9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.073 -11.628 9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.595 -12.290 11.246 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.148 -10.687 11.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.006 -11.177 12.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.856 -9.894 11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.321 -11.448 11.143 1.00 0.00 H new ATOM 1049 N ASN A 67 10.202 -8.059 6.693 1.00 0.00 N ATOM 1050 CA ASN A 67 11.613 -8.270 6.401 1.00 0.00 C ATOM 1051 C ASN A 67 11.902 -7.951 4.940 1.00 0.00 C ATOM 1052 O ASN A 67 11.449 -8.656 4.039 1.00 0.00 O ATOM 1053 CB ASN A 67 12.013 -9.714 6.715 1.00 0.00 C ATOM 1054 CG ASN A 67 12.962 -9.807 7.894 1.00 0.00 C ATOM 1055 OD1 ASN A 67 12.982 -8.932 8.760 1.00 0.00 O ATOM 1056 ND2 ASN A 67 13.755 -10.871 7.933 1.00 0.00 N ATOM 0 H ASN A 67 9.574 -8.316 5.931 1.00 0.00 H new ATOM 0 HA ASN A 67 12.201 -7.601 7.030 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.118 -10.299 6.926 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.484 -10.157 5.837 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.414 -10.988 8.702 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.705 -11.572 7.194 1.00 0.00 H new ATOM 1063 N LEU A 68 12.645 -6.877 4.715 1.00 0.00 N ATOM 1064 CA LEU A 68 12.982 -6.451 3.369 1.00 0.00 C ATOM 1065 C LEU A 68 13.612 -7.575 2.559 1.00 0.00 C ATOM 1066 O LEU A 68 14.362 -8.396 3.087 1.00 0.00 O ATOM 1067 CB LEU A 68 13.915 -5.250 3.427 1.00 0.00 C ATOM 1068 CG LEU A 68 13.209 -3.935 3.734 1.00 0.00 C ATOM 1069 CD1 LEU A 68 14.099 -3.030 4.567 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.789 -3.247 2.449 1.00 0.00 C ATOM 0 H LEU A 68 13.026 -6.284 5.452 1.00 0.00 H new ATOM 0 HA LEU A 68 12.058 -6.169 2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.675 -5.429 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.434 -5.159 2.473 1.00 0.00 H new ATOM 0 HG LEU A 68 12.312 -4.152 4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.576 -2.097 4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.344 -3.526 5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.017 -2.817 4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.286 -2.309 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.670 -3.043 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.108 -3.894 1.896 1.00 0.00 H new ATOM 1082 N THR A 69 13.291 -7.597 1.272 1.00 0.00 N ATOM 1083 CA THR A 69 13.809 -8.615 0.363 1.00 0.00 C ATOM 1084 C THR A 69 14.128 -8.014 -1.004 1.00 0.00 C ATOM 1085 O THR A 69 13.625 -6.947 -1.359 1.00 0.00 O ATOM 1086 CB THR A 69 12.799 -9.753 0.215 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.482 -9.246 0.109 1.00 0.00 O ATOM 1088 CG2 THR A 69 12.825 -10.727 1.373 1.00 0.00 C ATOM 0 H THR A 69 12.671 -6.918 0.831 1.00 0.00 H new ATOM 0 HA THR A 69 14.732 -9.012 0.786 1.00 0.00 H new ATOM 0 HB THR A 69 13.090 -10.282 -0.692 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.852 -9.990 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.085 -11.510 1.207 1.00 0.00 H new ATOM 0 HG22 THR A 69 13.816 -11.174 1.450 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.593 -10.199 2.298 1.00 0.00 H new ATOM 1096 N ARG A 70 14.968 -8.707 -1.769 1.00 0.00 N ATOM 1097 CA ARG A 70 15.362 -8.241 -3.102 1.00 0.00 C ATOM 1098 C ARG A 70 14.140 -7.913 -3.953 1.00 0.00 C ATOM 1099 O ARG A 70 14.003 -6.799 -4.458 1.00 0.00 O ATOM 1100 CB ARG A 70 16.219 -9.296 -3.815 1.00 0.00 C ATOM 1101 CG ARG A 70 17.178 -10.049 -2.900 1.00 0.00 C ATOM 1102 CD ARG A 70 16.701 -11.470 -2.641 1.00 0.00 C ATOM 1103 NE ARG A 70 17.813 -12.379 -2.371 1.00 0.00 N ATOM 1104 CZ ARG A 70 17.685 -13.702 -2.288 1.00 0.00 C ATOM 1105 NH1 ARG A 70 16.498 -14.273 -2.455 1.00 0.00 N ATOM 1106 NH2 ARG A 70 18.747 -14.455 -2.037 1.00 0.00 N ATOM 0 H ARG A 70 15.390 -9.593 -1.492 1.00 0.00 H new ATOM 0 HA ARG A 70 15.950 -7.333 -2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.559 -10.015 -4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 70 16.794 -8.808 -4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 70 18.170 -10.074 -3.352 1.00 0.00 H new ATOM 0 HG3 ARG A 70 17.272 -9.517 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 70 16.015 -11.474 -1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 70 16.141 -11.828 -3.505 1.00 0.00 H new ATOM 0 HE ARG A 70 18.741 -11.977 -2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.678 -13.698 -2.648 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.406 -15.287 -2.390 1.00 0.00 H new ATOM 0 HH21 ARG A 70 19.661 -14.021 -1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.650 -15.468 -1.973 1.00 0.00 H new ATOM 1120 N ASP A 71 13.254 -8.890 -4.110 1.00 0.00 N ATOM 1121 CA ASP A 71 12.047 -8.715 -4.896 1.00 0.00 C ATOM 1122 C ASP A 71 11.221 -7.528 -4.401 1.00 0.00 C ATOM 1123 O ASP A 71 10.375 -7.010 -5.130 1.00 0.00 O ATOM 1124 CB ASP A 71 11.214 -9.993 -4.839 1.00 0.00 C ATOM 1125 CG ASP A 71 11.091 -10.550 -3.435 1.00 0.00 C ATOM 1126 OD1 ASP A 71 12.119 -10.993 -2.879 1.00 0.00 O ATOM 1127 OD2 ASP A 71 9.967 -10.545 -2.890 1.00 0.00 O ATOM 0 H ASP A 71 13.354 -9.818 -3.698 1.00 0.00 H new ATOM 0 HA ASP A 71 12.337 -8.508 -5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.218 -9.790 -5.233 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.666 -10.745 -5.485 1.00 0.00 H new ATOM 1132 N ASP A 72 11.462 -7.101 -3.163 1.00 0.00 N ATOM 1133 CA ASP A 72 10.727 -5.978 -2.594 1.00 0.00 C ATOM 1134 C ASP A 72 11.273 -4.641 -3.094 1.00 0.00 C ATOM 1135 O ASP A 72 10.628 -3.604 -2.939 1.00 0.00 O ATOM 1136 CB ASP A 72 10.781 -6.026 -1.065 1.00 0.00 C ATOM 1137 CG ASP A 72 9.486 -5.565 -0.426 1.00 0.00 C ATOM 1138 OD1 ASP A 72 8.566 -6.397 -0.284 1.00 0.00 O ATOM 1139 OD2 ASP A 72 9.392 -4.372 -0.070 1.00 0.00 O ATOM 0 H ASP A 72 12.156 -7.514 -2.540 1.00 0.00 H new ATOM 0 HA ASP A 72 9.690 -6.063 -2.919 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.999 -7.045 -0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.600 -5.399 -0.713 1.00 0.00 H new ATOM 1144 N SER A 73 12.461 -4.665 -3.696 1.00 0.00 N ATOM 1145 CA SER A 73 13.077 -3.451 -4.215 1.00 0.00 C ATOM 1146 C SER A 73 12.574 -3.149 -5.621 1.00 0.00 C ATOM 1147 O SER A 73 12.603 -4.014 -6.497 1.00 0.00 O ATOM 1148 CB SER A 73 14.599 -3.595 -4.226 1.00 0.00 C ATOM 1149 OG SER A 73 15.008 -4.620 -5.116 1.00 0.00 O ATOM 0 H SER A 73 13.013 -5.511 -3.835 1.00 0.00 H new ATOM 0 HA SER A 73 12.801 -2.622 -3.563 1.00 0.00 H new ATOM 0 HB2 SER A 73 15.055 -2.650 -4.521 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.953 -3.820 -3.220 1.00 0.00 H new ATOM 0 HG SER A 73 14.976 -5.485 -4.656 1.00 0.00 H new ATOM 1155 N GLY A 74 12.109 -1.922 -5.834 1.00 0.00 N ATOM 1156 CA GLY A 74 11.606 -1.545 -7.139 1.00 0.00 C ATOM 1157 C GLY A 74 10.625 -0.380 -7.073 1.00 0.00 C ATOM 1158 O GLY A 74 10.885 0.606 -6.384 1.00 0.00 O ATOM 0 H GLY A 74 12.072 -1.186 -5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.443 -1.275 -7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.115 -2.403 -7.597 1.00 0.00 H new ATOM 1162 N THR A 75 9.502 -0.476 -7.791 1.00 0.00 N ATOM 1163 CA THR A 75 8.507 0.596 -7.798 1.00 0.00 C ATOM 1164 C THR A 75 7.135 0.063 -7.385 1.00 0.00 C ATOM 1165 O THR A 75 6.661 -0.939 -7.919 1.00 0.00 O ATOM 1166 CB THR A 75 8.445 1.221 -9.197 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.481 2.170 -9.367 1.00 0.00 O ATOM 1168 CG2 THR A 75 7.137 1.918 -9.502 1.00 0.00 C ATOM 0 H THR A 75 9.262 -1.280 -8.371 1.00 0.00 H new ATOM 0 HA THR A 75 8.799 1.359 -7.076 1.00 0.00 H new ATOM 0 HB THR A 75 8.552 0.381 -9.883 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.309 2.948 -8.797 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.172 2.333 -10.509 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.318 1.202 -9.433 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.977 2.722 -8.783 1.00 0.00 H new ATOM 1176 N TYR A 76 6.499 0.749 -6.440 1.00 0.00 N ATOM 1177 CA TYR A 76 5.176 0.356 -5.965 1.00 0.00 C ATOM 1178 C TYR A 76 4.126 1.332 -6.482 1.00 0.00 C ATOM 1179 O TYR A 76 4.426 2.499 -6.731 1.00 0.00 O ATOM 1180 CB TYR A 76 5.141 0.311 -4.434 1.00 0.00 C ATOM 1181 CG TYR A 76 5.914 -0.845 -3.833 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.295 -0.921 -3.959 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.263 -1.855 -3.133 1.00 0.00 C ATOM 1184 CE1 TYR A 76 8.007 -1.968 -3.406 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.970 -2.908 -2.576 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.339 -2.959 -2.716 1.00 0.00 C ATOM 1187 OH TYR A 76 8.043 -4.005 -2.160 1.00 0.00 O ATOM 0 H TYR A 76 6.879 1.581 -5.988 1.00 0.00 H new ATOM 0 HA TYR A 76 4.955 -0.642 -6.344 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.544 1.246 -4.044 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.103 0.250 -4.106 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.822 -0.148 -4.499 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.189 -1.818 -3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.081 -2.011 -3.513 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.450 -3.685 -2.035 1.00 0.00 H new ATOM 0 HH TYR A 76 8.539 -3.686 -1.377 1.00 0.00 H new ATOM 1197 N ASN A 77 2.898 0.854 -6.655 1.00 0.00 N ATOM 1198 CA ASN A 77 1.821 1.700 -7.157 1.00 0.00 C ATOM 1199 C ASN A 77 0.548 1.537 -6.332 1.00 0.00 C ATOM 1200 O ASN A 77 0.033 0.426 -6.179 1.00 0.00 O ATOM 1201 CB ASN A 77 1.531 1.364 -8.623 1.00 0.00 C ATOM 1202 CG ASN A 77 2.285 2.261 -9.584 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.311 3.481 -9.423 1.00 0.00 O ATOM 1204 ND2 ASN A 77 2.903 1.658 -10.593 1.00 0.00 N ATOM 0 H ASN A 77 2.625 -0.108 -6.456 1.00 0.00 H new ATOM 0 HA ASN A 77 2.147 2.737 -7.074 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.799 0.325 -8.814 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.461 1.456 -8.809 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.426 2.209 -11.273 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.855 0.644 -10.688 1.00 0.00 H new ATOM 1211 N VAL A 78 0.035 2.653 -5.816 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.191 2.629 -5.026 1.00 0.00 C ATOM 1213 C VAL A 78 -2.351 3.264 -5.785 1.00 0.00 C ATOM 1214 O VAL A 78 -2.217 4.356 -6.347 1.00 0.00 O ATOM 1215 CB VAL A 78 -1.060 3.357 -3.666 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.831 2.597 -2.596 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.396 3.552 -3.254 1.00 0.00 C ATOM 0 H VAL A 78 0.448 3.579 -5.931 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.383 1.573 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.490 4.353 -3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.735 3.114 -1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.883 2.543 -2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.428 1.588 -2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.437 4.067 -2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.882 2.581 -3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.911 4.148 -4.008 1.00 0.00 H new ATOM 1227 N THR A 79 -3.495 2.585 -5.773 1.00 0.00 N ATOM 1228 CA THR A 79 -4.695 3.081 -6.433 1.00 0.00 C ATOM 1229 C THR A 79 -5.810 3.252 -5.409 1.00 0.00 C ATOM 1230 O THR A 79 -6.415 2.276 -4.965 1.00 0.00 O ATOM 1231 CB THR A 79 -5.138 2.130 -7.547 1.00 0.00 C ATOM 1232 OG1 THR A 79 -4.155 1.137 -7.785 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.404 2.835 -8.859 1.00 0.00 C ATOM 0 H THR A 79 -3.614 1.684 -5.310 1.00 0.00 H new ATOM 0 HA THR A 79 -4.470 4.047 -6.885 1.00 0.00 H new ATOM 0 HB THR A 79 -6.068 1.684 -7.193 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.460 0.539 -8.499 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.714 2.106 -9.607 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.194 3.573 -8.722 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.495 3.335 -9.194 1.00 0.00 H new ATOM 1241 N VAL A 80 -6.062 4.496 -5.023 1.00 0.00 N ATOM 1242 CA VAL A 80 -7.090 4.795 -4.033 1.00 0.00 C ATOM 1243 C VAL A 80 -8.422 5.125 -4.696 1.00 0.00 C ATOM 1244 O VAL A 80 -8.491 5.958 -5.598 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.661 5.970 -3.126 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.752 6.310 -2.123 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.354 5.653 -2.406 1.00 0.00 C ATOM 0 H VAL A 80 -5.569 5.315 -5.380 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.216 3.901 -3.423 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.499 6.840 -3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.425 7.140 -1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.660 6.593 -2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.954 5.441 -1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.073 6.495 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.485 4.764 -1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.569 5.473 -3.140 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.481 4.464 -4.236 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.814 4.686 -4.776 1.00 0.00 C ATOM 1259 C TYR A 81 -11.779 5.132 -3.689 1.00 0.00 C ATOM 1260 O TYR A 81 -11.591 4.835 -2.504 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.350 3.425 -5.433 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.575 2.994 -6.659 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -10.846 3.551 -7.904 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -9.574 2.033 -6.576 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -10.142 3.162 -9.029 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -8.866 1.640 -7.696 1.00 0.00 C ATOM 1267 CZ TYR A 81 -9.154 2.207 -8.919 1.00 0.00 C ATOM 1268 OH TYR A 81 -8.453 1.816 -10.038 1.00 0.00 O ATOM 0 H TYR A 81 -9.439 3.770 -3.490 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.732 5.475 -5.524 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.338 2.614 -4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.391 3.587 -5.712 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.619 4.300 -7.994 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.346 1.586 -5.620 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.365 3.604 -9.989 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.091 0.892 -7.613 1.00 0.00 H new ATOM 0 HH TYR A 81 -7.792 1.137 -9.789 1.00 0.00 H new ATOM 1278 N SER A 82 -12.816 5.836 -4.115 1.00 0.00 N ATOM 1279 CA SER A 82 -13.839 6.348 -3.209 1.00 0.00 C ATOM 1280 C SER A 82 -14.975 5.350 -3.025 1.00 0.00 C ATOM 1281 O SER A 82 -14.985 4.278 -3.629 1.00 0.00 O ATOM 1282 CB SER A 82 -14.398 7.674 -3.728 1.00 0.00 C ATOM 1283 OG SER A 82 -13.975 7.929 -5.056 1.00 0.00 O ATOM 0 H SER A 82 -12.974 6.069 -5.095 1.00 0.00 H new ATOM 0 HA SER A 82 -13.366 6.509 -2.240 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.487 7.651 -3.689 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.073 8.487 -3.079 1.00 0.00 H new ATOM 0 HG SER A 82 -13.898 8.896 -5.195 1.00 0.00 H new ATOM 1289 N THR A 83 -15.934 5.723 -2.186 1.00 0.00 N ATOM 1290 CA THR A 83 -17.089 4.875 -1.912 1.00 0.00 C ATOM 1291 C THR A 83 -17.936 4.679 -3.167 1.00 0.00 C ATOM 1292 O THR A 83 -18.680 3.705 -3.278 1.00 0.00 O ATOM 1293 CB THR A 83 -17.944 5.480 -0.796 1.00 0.00 C ATOM 1294 OG1 THR A 83 -18.236 6.840 -1.067 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.289 5.410 0.568 1.00 0.00 C ATOM 0 H THR A 83 -15.935 6.610 -1.682 1.00 0.00 H new ATOM 0 HA THR A 83 -16.720 3.901 -1.590 1.00 0.00 H new ATOM 0 HB THR A 83 -18.853 4.880 -0.773 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.785 7.207 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 83 -17.949 5.856 1.312 1.00 0.00 H new ATOM 0 HG22 THR A 83 -17.101 4.368 0.828 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.345 5.955 0.547 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.818 5.608 -4.111 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.573 5.531 -5.356 1.00 0.00 C ATOM 1305 C ASN A 84 -17.743 4.886 -6.463 1.00 0.00 C ATOM 1306 O ASN A 84 -17.999 5.101 -7.647 1.00 0.00 O ATOM 1307 CB ASN A 84 -19.024 6.926 -5.790 1.00 0.00 C ATOM 1308 CG ASN A 84 -20.319 7.348 -5.125 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -21.102 6.511 -4.677 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -20.552 8.654 -5.058 1.00 0.00 N ATOM 0 H ASN A 84 -17.207 6.422 -4.037 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.451 4.910 -5.178 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -18.244 7.648 -5.550 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -19.152 6.943 -6.872 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -21.408 8.998 -4.622 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -19.875 9.313 -5.442 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.749 4.092 -6.072 1.00 0.00 N ATOM 1318 CA GLY A 85 -15.903 3.430 -7.047 1.00 0.00 C ATOM 1319 C GLY A 85 -15.184 4.411 -7.954 1.00 0.00 C ATOM 1320 O GLY A 85 -14.825 4.073 -9.082 1.00 0.00 O ATOM 0 H GLY A 85 -16.516 3.896 -5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.168 2.815 -6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.510 2.758 -7.653 1.00 0.00 H new ATOM 1324 N THR A 86 -14.972 5.626 -7.460 1.00 0.00 N ATOM 1325 CA THR A 86 -14.290 6.657 -8.234 1.00 0.00 C ATOM 1326 C THR A 86 -12.801 6.680 -7.911 1.00 0.00 C ATOM 1327 O THR A 86 -12.388 6.312 -6.811 1.00 0.00 O ATOM 1328 CB THR A 86 -14.907 8.028 -7.953 1.00 0.00 C ATOM 1329 OG1 THR A 86 -16.235 7.892 -7.477 1.00 0.00 O ATOM 1330 CG2 THR A 86 -14.945 8.927 -9.170 1.00 0.00 C ATOM 0 H THR A 86 -15.262 5.921 -6.528 1.00 0.00 H new ATOM 0 HA THR A 86 -14.411 6.423 -9.292 1.00 0.00 H new ATOM 0 HB THR A 86 -14.264 8.487 -7.202 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.612 8.779 -7.302 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.394 9.883 -8.902 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.930 9.092 -9.533 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.538 8.454 -9.953 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.997 7.115 -8.877 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.551 7.185 -8.690 1.00 0.00 C ATOM 1340 C ARG A 87 -10.179 8.364 -7.798 1.00 0.00 C ATOM 1341 O ARG A 87 -10.469 9.516 -8.121 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.838 7.306 -10.042 1.00 0.00 C ATOM 1343 CG ARG A 87 -10.536 6.569 -11.177 1.00 0.00 C ATOM 1344 CD ARG A 87 -9.562 5.714 -11.971 1.00 0.00 C ATOM 1345 NE ARG A 87 -8.726 6.517 -12.860 1.00 0.00 N ATOM 1346 CZ ARG A 87 -7.990 6.008 -13.846 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -7.983 4.701 -14.071 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -7.258 6.810 -14.607 1.00 0.00 N ATOM 0 H ARG A 87 -12.321 7.423 -9.794 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.229 6.264 -8.204 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.754 8.361 -10.304 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.823 6.921 -9.942 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.327 5.938 -10.770 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -11.013 7.290 -11.841 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.927 5.155 -11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.117 4.983 -12.558 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.705 7.527 -12.717 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.543 4.080 -13.487 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.417 4.317 -14.828 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.259 7.816 -14.437 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.694 6.421 -15.363 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.540 8.067 -6.672 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.131 9.101 -5.729 1.00 0.00 C ATOM 1364 C ILE A 88 -7.706 9.569 -6.001 1.00 0.00 C ATOM 1365 O ILE A 88 -7.485 10.712 -6.402 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.234 8.602 -4.271 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -10.694 8.312 -3.913 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -8.642 9.620 -3.305 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -11.566 9.549 -3.877 1.00 0.00 C ATOM 0 H ILE A 88 -9.294 7.118 -6.390 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.812 9.941 -5.867 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.661 7.679 -4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.104 7.609 -4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.731 7.823 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -8.727 9.245 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.591 9.782 -3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.184 10.562 -3.392 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.586 9.267 -3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.180 10.245 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.560 10.027 -4.857 1.00 0.00 H new ATOM 1381 N LEU A 89 -6.737 8.687 -5.767 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.338 9.032 -5.978 1.00 0.00 C ATOM 1383 C LEU A 89 -4.524 7.834 -6.464 1.00 0.00 C ATOM 1384 O LEU A 89 -4.602 6.742 -5.903 1.00 0.00 O ATOM 1385 CB LEU A 89 -4.735 9.583 -4.679 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.203 9.589 -4.611 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -2.706 10.826 -3.879 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -2.691 8.322 -3.933 1.00 0.00 C ATOM 0 H LEU A 89 -6.895 7.736 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.298 9.796 -6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.091 10.603 -4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.116 8.994 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.814 9.613 -5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.617 10.813 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.040 11.720 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.105 10.833 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.602 8.345 -3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.089 8.265 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.016 7.449 -4.500 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.722 8.068 -7.496 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.857 7.039 -8.059 1.00 0.00 C ATOM 1402 C ASN A 90 -1.405 7.467 -7.890 1.00 0.00 C ATOM 1403 O ASN A 90 -0.943 8.394 -8.555 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.177 6.817 -9.540 1.00 0.00 C ATOM 1405 CG ASN A 90 -3.231 5.347 -9.905 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -4.096 4.916 -10.668 1.00 0.00 O ATOM 1407 ND2 ASN A 90 -2.303 4.567 -9.361 1.00 0.00 N ATOM 0 H ASN A 90 -3.653 8.972 -7.964 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.025 6.099 -7.534 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.134 7.283 -9.776 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.422 7.313 -10.150 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.289 3.569 -9.571 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.605 4.966 -8.734 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.695 6.814 -6.976 1.00 0.00 N ATOM 1415 CA LYS A 91 0.697 7.173 -6.710 1.00 0.00 C ATOM 1416 C LYS A 91 1.666 6.039 -7.023 1.00 0.00 C ATOM 1417 O LYS A 91 1.300 4.865 -7.025 1.00 0.00 O ATOM 1418 CB LYS A 91 0.864 7.599 -5.249 1.00 0.00 C ATOM 1419 CG LYS A 91 0.095 8.857 -4.888 1.00 0.00 C ATOM 1420 CD LYS A 91 0.952 10.102 -5.054 1.00 0.00 C ATOM 1421 CE LYS A 91 0.100 11.360 -5.115 1.00 0.00 C ATOM 1422 NZ LYS A 91 0.827 12.493 -5.753 1.00 0.00 N ATOM 0 H LYS A 91 -1.053 6.043 -6.412 1.00 0.00 H new ATOM 0 HA LYS A 91 0.939 8.004 -7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.535 6.785 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.923 7.760 -5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.790 8.937 -5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.253 8.789 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.653 10.176 -4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.545 10.018 -5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.813 11.154 -5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.201 11.644 -4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.212 13.331 -5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.685 12.707 -5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.092 12.232 -6.724 1.00 0.00 H new ATOM 1436 N ALA A 92 2.916 6.420 -7.274 1.00 0.00 N ATOM 1437 CA ALA A 92 3.977 5.472 -7.577 1.00 0.00 C ATOM 1438 C ALA A 92 5.259 5.869 -6.848 1.00 0.00 C ATOM 1439 O ALA A 92 5.751 6.984 -7.010 1.00 0.00 O ATOM 1440 CB ALA A 92 4.218 5.414 -9.075 1.00 0.00 C ATOM 0 H ALA A 92 3.218 7.394 -7.272 1.00 0.00 H new ATOM 0 HA ALA A 92 3.672 4.483 -7.236 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.014 4.701 -9.288 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.304 5.099 -9.579 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.509 6.401 -9.435 1.00 0.00 H new ATOM 1446 N LEU A 93 5.786 4.960 -6.034 1.00 0.00 N ATOM 1447 CA LEU A 93 7.002 5.239 -5.273 1.00 0.00 C ATOM 1448 C LEU A 93 8.122 4.267 -5.628 1.00 0.00 C ATOM 1449 O LEU A 93 7.879 3.186 -6.164 1.00 0.00 O ATOM 1450 CB LEU A 93 6.714 5.166 -3.771 1.00 0.00 C ATOM 1451 CG LEU A 93 5.357 5.726 -3.339 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.244 4.743 -3.667 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.365 6.048 -1.852 1.00 0.00 C ATOM 0 H LEU A 93 5.395 4.030 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 93 7.330 6.245 -5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.776 4.124 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.498 5.707 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 93 5.173 6.648 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.287 5.159 -3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.225 4.560 -4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.422 3.804 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.393 6.445 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.571 5.141 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.137 6.789 -1.644 1.00 0.00 H new ATOM 1465 N ASP A 94 9.352 4.662 -5.309 1.00 0.00 N ATOM 1466 CA ASP A 94 10.521 3.834 -5.576 1.00 0.00 C ATOM 1467 C ASP A 94 11.103 3.307 -4.266 1.00 0.00 C ATOM 1468 O ASP A 94 11.557 4.082 -3.423 1.00 0.00 O ATOM 1469 CB ASP A 94 11.581 4.637 -6.334 1.00 0.00 C ATOM 1470 CG ASP A 94 11.193 4.885 -7.778 1.00 0.00 C ATOM 1471 OD1 ASP A 94 9.980 4.898 -8.075 1.00 0.00 O ATOM 1472 OD2 ASP A 94 12.104 5.064 -8.614 1.00 0.00 O ATOM 0 H ASP A 94 9.564 5.555 -4.863 1.00 0.00 H new ATOM 0 HA ASP A 94 10.214 2.989 -6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.737 5.592 -5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.530 4.102 -6.302 1.00 0.00 H new ATOM 1477 N LEU A 95 11.078 1.990 -4.091 1.00 0.00 N ATOM 1478 CA LEU A 95 11.593 1.375 -2.878 1.00 0.00 C ATOM 1479 C LEU A 95 12.996 0.813 -3.092 1.00 0.00 C ATOM 1480 O LEU A 95 13.157 -0.276 -3.649 1.00 0.00 O ATOM 1481 CB LEU A 95 10.657 0.255 -2.415 1.00 0.00 C ATOM 1482 CG LEU A 95 10.410 0.190 -0.907 1.00 0.00 C ATOM 1483 CD1 LEU A 95 9.566 -1.021 -0.553 1.00 0.00 C ATOM 1484 CD2 LEU A 95 11.726 0.162 -0.146 1.00 0.00 C ATOM 0 H LEU A 95 10.706 1.330 -4.775 1.00 0.00 H new ATOM 0 HA LEU A 95 11.646 2.148 -2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.698 0.374 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 95 11.071 -0.699 -2.740 1.00 0.00 H new ATOM 0 HG LEU A 95 9.864 1.087 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.402 -1.048 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.606 -0.957 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.083 -1.929 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.526 0.116 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 95 12.301 -0.714 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.295 1.064 -0.370 1.00 0.00 H new ATOM 1496 N ARG A 96 14.007 1.554 -2.639 1.00 0.00 N ATOM 1497 CA ARG A 96 15.393 1.117 -2.770 1.00 0.00 C ATOM 1498 C ARG A 96 15.862 0.446 -1.482 1.00 0.00 C ATOM 1499 O ARG A 96 15.933 1.077 -0.424 1.00 0.00 O ATOM 1500 CB ARG A 96 16.315 2.289 -3.129 1.00 0.00 C ATOM 1501 CG ARG A 96 15.584 3.531 -3.624 1.00 0.00 C ATOM 1502 CD ARG A 96 14.837 3.254 -4.921 1.00 0.00 C ATOM 1503 NE ARG A 96 15.658 2.519 -5.881 1.00 0.00 N ATOM 1504 CZ ARG A 96 15.160 1.816 -6.897 1.00 0.00 C ATOM 1505 NH1 ARG A 96 13.849 1.753 -7.092 1.00 0.00 N ATOM 1506 NH2 ARG A 96 15.979 1.177 -7.722 1.00 0.00 N ATOM 0 H ARG A 96 13.891 2.457 -2.179 1.00 0.00 H new ATOM 0 HA ARG A 96 15.441 0.392 -3.583 1.00 0.00 H new ATOM 0 HB2 ARG A 96 16.905 2.554 -2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 96 17.016 1.963 -3.898 1.00 0.00 H new ATOM 0 HG2 ARG A 96 14.881 3.870 -2.863 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.299 4.339 -3.779 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.934 2.683 -4.704 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.519 4.198 -5.364 1.00 0.00 H new ATOM 0 HE ARG A 96 16.671 2.546 -5.766 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.215 2.245 -6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.475 1.213 -7.872 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.988 1.225 -7.578 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.600 0.638 -8.501 1.00 0.00 H new ATOM 1520 N ILE A 97 16.160 -0.846 -1.576 1.00 0.00 N ATOM 1521 CA ILE A 97 16.596 -1.614 -0.418 1.00 0.00 C ATOM 1522 C ILE A 97 18.022 -2.129 -0.583 1.00 0.00 C ATOM 1523 O ILE A 97 18.317 -2.884 -1.509 1.00 0.00 O ATOM 1524 CB ILE A 97 15.668 -2.817 -0.163 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.201 -2.421 -0.362 1.00 0.00 C ATOM 1526 CG2 ILE A 97 15.890 -3.365 1.237 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.321 -3.572 -0.801 1.00 0.00 C ATOM 0 H ILE A 97 16.107 -1.382 -2.442 1.00 0.00 H new ATOM 0 HA ILE A 97 16.558 -0.933 0.432 1.00 0.00 H new ATOM 0 HB ILE A 97 15.908 -3.599 -0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.813 -2.012 0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.145 -1.626 -1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.228 -4.215 1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.926 -3.686 1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.675 -2.588 1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.296 -3.221 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.685 -3.967 -1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.348 -4.359 -0.047 1.00 0.00 H new ATOM 1539 N LEU A 98 18.896 -1.722 0.329 1.00 0.00 N ATOM 1540 CA LEU A 98 20.276 -2.138 0.310 1.00 0.00 C ATOM 1541 C LEU A 98 20.399 -3.614 0.676 1.00 0.00 C ATOM 1542 O LEU A 98 20.004 -4.030 1.768 1.00 0.00 O ATOM 1543 CB LEU A 98 21.060 -1.280 1.293 1.00 0.00 C ATOM 1544 CG LEU A 98 21.743 -0.060 0.681 1.00 0.00 C ATOM 1545 CD1 LEU A 98 22.336 0.823 1.770 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.818 -0.486 -0.308 1.00 0.00 C ATOM 0 H LEU A 98 18.660 -1.095 1.098 1.00 0.00 H new ATOM 0 HA LEU A 98 20.680 -2.009 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.383 -0.943 2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.818 -1.901 1.770 1.00 0.00 H new ATOM 0 HG LEU A 98 20.993 0.518 0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 98 22.819 1.688 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 98 21.543 1.160 2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 98 23.072 0.255 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 98 23.293 0.398 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.567 -1.088 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 98 22.365 -1.074 -1.107 1.00 0.00 H new