USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 698 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 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -0.977 K(o=-0.98,f=-2) USER MOD Single : A 9 SER OG : rot -40:sc= -1.51 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.646 USER MOD Single : A 22 HIS : no HD1:sc= -0.867 K(o=-0.87,f=-0.26) USER MOD Single : A 24 ASN : amide:sc= -2.79! C(o=-2.8!,f=-6.1!) USER MOD Single : A 26 ASN : amide:sc= -0.72 K(o=-0.72,f=-1.4) USER MOD Single : A 28 HIS : no HD1:sc= -0.314 K(o=-0.31,f=-1.3) USER MOD Single : A 29 HIS : no HD1:sc= -0.155 X(o=-0.16,f=-0.16) USER MOD Single : A 32 THR OG1 : rot -170:sc= -2.79! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -6:sc= -2.36! USER MOD Single : A 42 GLN : amide:sc= -3.05! K(o=-3.1!,f=0.034) USER MOD Single : A 43 LYS NZ :NH3+ -114:sc= -1.76 (180deg=-3.43!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0336 X(o=-0.034,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.0063) USER MOD Single : A 70 THR OG1 : rot 59:sc= -1.58! USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.567 USER MOD Single : A 79 THR OG1 : rot 171:sc= -1.59! USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 3 5.739 2.985 -14.942 1.00 0.00 N ATOM 20 CA TYR A 3 4.420 2.776 -14.353 1.00 0.00 C ATOM 21 C TYR A 3 4.168 3.774 -13.228 1.00 0.00 C ATOM 22 O TYR A 3 4.813 3.719 -12.180 1.00 0.00 O ATOM 23 CB TYR A 3 4.297 1.346 -13.825 1.00 0.00 C ATOM 24 CG TYR A 3 2.926 1.015 -13.274 1.00 0.00 C ATOM 25 CD1 TYR A 3 1.891 0.634 -14.118 1.00 0.00 C ATOM 26 CD2 TYR A 3 2.670 1.086 -11.911 1.00 0.00 C ATOM 27 CE1 TYR A 3 0.639 0.331 -13.619 1.00 0.00 C ATOM 28 CE2 TYR A 3 1.419 0.785 -11.403 1.00 0.00 C ATOM 29 CZ TYR A 3 0.409 0.407 -12.262 1.00 0.00 C ATOM 30 OH TYR A 3 -0.838 0.107 -11.761 1.00 0.00 O ATOM 0 HA TYR A 3 3.670 2.933 -15.128 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.533 0.650 -14.630 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.040 1.192 -13.042 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.068 0.574 -15.182 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.460 1.381 -11.237 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.155 0.036 -14.289 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.235 0.846 -10.341 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.832 0.209 -10.786 1.00 0.00 H new ATOM 40 N TRP A 4 3.227 4.687 -13.449 1.00 0.00 N ATOM 41 CA TRP A 4 2.896 5.699 -12.451 1.00 0.00 C ATOM 42 C TRP A 4 1.389 5.961 -12.414 1.00 0.00 C ATOM 43 O TRP A 4 0.864 6.702 -13.246 1.00 0.00 O ATOM 44 CB TRP A 4 3.644 7.000 -12.752 1.00 0.00 C ATOM 45 CG TRP A 4 3.414 8.072 -11.729 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.429 9.017 -11.738 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.189 8.310 -10.548 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.542 9.827 -10.634 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.615 9.413 -9.888 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.311 7.696 -9.984 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.126 9.915 -8.694 1.00 0.00 C ATOM 52 CZ3 TRP A 4 5.816 8.195 -8.799 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.225 9.294 -8.164 1.00 0.00 C ATOM 0 H TRP A 4 2.681 4.747 -14.309 1.00 0.00 H new ATOM 0 HA TRP A 4 3.203 5.325 -11.474 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.712 6.790 -12.813 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.335 7.370 -13.730 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.671 9.114 -12.502 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.928 10.609 -10.407 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.774 6.848 -10.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.672 10.763 -8.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.683 7.729 -8.354 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.644 9.659 -7.238 1.00 0.00 H new ATOM 64 N PRO A 5 0.670 5.351 -11.452 1.00 0.00 N ATOM 65 CA PRO A 5 -0.780 5.533 -11.314 1.00 0.00 C ATOM 66 C PRO A 5 -1.152 6.984 -11.025 1.00 0.00 C ATOM 67 O PRO A 5 -0.282 7.824 -10.801 1.00 0.00 O ATOM 68 CB PRO A 5 -1.152 4.641 -10.122 1.00 0.00 C ATOM 69 CG PRO A 5 -0.015 3.690 -9.975 1.00 0.00 C ATOM 70 CD PRO A 5 1.206 4.434 -10.432 1.00 0.00 C ATOM 0 HA PRO A 5 -1.308 5.274 -12.232 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.291 5.232 -9.216 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.087 4.111 -10.303 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.091 3.365 -8.940 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.175 2.795 -10.576 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.680 4.974 -9.613 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.957 3.762 -10.848 1.00 0.00 H new ATOM 78 N ALA A 6 -2.451 7.270 -11.030 1.00 0.00 N ATOM 79 CA ALA A 6 -2.933 8.621 -10.766 1.00 0.00 C ATOM 80 C ALA A 6 -2.871 8.941 -9.275 1.00 0.00 C ATOM 81 O ALA A 6 -2.271 8.201 -8.496 1.00 0.00 O ATOM 82 CB ALA A 6 -4.352 8.787 -11.290 1.00 0.00 C ATOM 0 H ALA A 6 -3.186 6.587 -11.213 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.284 9.324 -11.288 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.699 9.800 -11.086 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.366 8.608 -12.365 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.009 8.072 -10.795 1.00 0.00 H new ATOM 88 N ARG A 7 -3.498 10.048 -8.885 1.00 0.00 N ATOM 89 CA ARG A 7 -3.509 10.470 -7.487 1.00 0.00 C ATOM 90 C ARG A 7 -4.457 9.608 -6.658 1.00 0.00 C ATOM 91 O ARG A 7 -5.529 9.225 -7.127 1.00 0.00 O ATOM 92 CB ARG A 7 -3.916 11.941 -7.384 1.00 0.00 C ATOM 93 CG ARG A 7 -3.010 12.878 -8.167 1.00 0.00 C ATOM 94 CD ARG A 7 -3.466 14.324 -8.048 1.00 0.00 C ATOM 95 NE ARG A 7 -2.619 15.230 -8.817 1.00 0.00 N ATOM 96 CZ ARG A 7 -2.813 16.544 -8.885 1.00 0.00 C ATOM 97 NH1 ARG A 7 -3.821 17.103 -8.228 1.00 0.00 N ATOM 98 NH2 ARG A 7 -1.999 17.299 -9.609 1.00 0.00 N ATOM 0 H ARG A 7 -4.005 10.668 -9.517 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.501 10.347 -7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.939 12.053 -7.744 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.913 12.238 -6.335 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.987 12.787 -7.801 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.000 12.584 -9.216 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.496 14.409 -8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.457 14.622 -6.999 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.833 14.833 -9.332 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.449 16.525 -7.669 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.968 18.111 -8.281 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.223 16.872 -10.115 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.149 18.307 -9.660 1.00 0.00 H new ATOM 112 N HIS A 8 -4.045 9.311 -5.422 1.00 0.00 N ATOM 113 CA HIS A 8 -4.837 8.497 -4.494 1.00 0.00 C ATOM 114 C HIS A 8 -5.518 7.327 -5.204 1.00 0.00 C ATOM 115 O HIS A 8 -6.587 6.877 -4.791 1.00 0.00 O ATOM 116 CB HIS A 8 -5.883 9.361 -3.777 1.00 0.00 C ATOM 117 CG HIS A 8 -6.916 9.956 -4.685 1.00 0.00 C ATOM 118 ND1 HIS A 8 -8.042 9.273 -5.095 1.00 0.00 N ATOM 119 CD2 HIS A 8 -6.992 11.181 -5.259 1.00 0.00 C ATOM 120 CE1 HIS A 8 -8.764 10.050 -5.884 1.00 0.00 C ATOM 121 NE2 HIS A 8 -8.149 11.212 -5.998 1.00 0.00 N ATOM 0 H HIS A 8 -3.155 9.627 -5.037 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.149 8.084 -3.756 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.384 8.754 -3.023 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.372 10.166 -3.249 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -8.280 8.317 -4.831 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.276 11.983 -5.155 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.698 9.780 -6.355 1.00 0.00 H new ATOM 130 N SER A 9 -4.887 6.828 -6.263 1.00 0.00 N ATOM 131 CA SER A 9 -5.437 5.709 -7.024 1.00 0.00 C ATOM 132 C SER A 9 -5.406 4.426 -6.204 1.00 0.00 C ATOM 133 O SER A 9 -4.846 4.390 -5.110 1.00 0.00 O ATOM 134 CB SER A 9 -4.655 5.514 -8.322 1.00 0.00 C ATOM 135 OG SER A 9 -4.737 6.664 -9.144 1.00 0.00 O ATOM 0 H SER A 9 -3.996 7.180 -6.614 1.00 0.00 H new ATOM 0 HA SER A 9 -6.475 5.942 -7.264 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.611 5.301 -8.093 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.046 4.650 -8.860 1.00 0.00 H new ATOM 0 HG SER A 9 -5.647 7.027 -9.109 1.00 0.00 H new ATOM 141 N GLY A 10 -6.012 3.372 -6.739 1.00 0.00 N ATOM 142 CA GLY A 10 -6.038 2.101 -6.040 1.00 0.00 C ATOM 143 C GLY A 10 -4.656 1.499 -5.883 1.00 0.00 C ATOM 144 O GLY A 10 -4.199 1.261 -4.765 1.00 0.00 O ATOM 0 H GLY A 10 -6.485 3.375 -7.643 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.485 2.240 -5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.675 1.404 -6.584 1.00 0.00 H new ATOM 148 N ALA A 11 -3.989 1.256 -7.007 1.00 0.00 N ATOM 149 CA ALA A 11 -2.652 0.675 -6.994 1.00 0.00 C ATOM 150 C ALA A 11 -1.671 1.549 -6.217 1.00 0.00 C ATOM 151 O ALA A 11 -0.705 1.053 -5.632 1.00 0.00 O ATOM 152 CB ALA A 11 -2.161 0.456 -8.418 1.00 0.00 C ATOM 0 H ALA A 11 -4.354 1.453 -7.939 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.708 -0.288 -6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.161 0.022 -8.395 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.839 -0.221 -8.937 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.130 1.411 -8.943 1.00 0.00 H new ATOM 158 N ARG A 12 -1.923 2.854 -6.213 1.00 0.00 N ATOM 159 CA ARG A 12 -1.059 3.795 -5.512 1.00 0.00 C ATOM 160 C ARG A 12 -1.208 3.663 -4.006 1.00 0.00 C ATOM 161 O ARG A 12 -0.231 3.454 -3.286 1.00 0.00 O ATOM 162 CB ARG A 12 -1.385 5.229 -5.941 1.00 0.00 C ATOM 163 CG ARG A 12 -1.223 6.266 -4.838 1.00 0.00 C ATOM 164 CD ARG A 12 -1.383 7.680 -5.373 1.00 0.00 C ATOM 165 NE ARG A 12 -1.260 8.682 -4.318 1.00 0.00 N ATOM 166 CZ ARG A 12 -0.919 9.948 -4.538 1.00 0.00 C ATOM 167 NH1 ARG A 12 -0.662 10.365 -5.771 1.00 0.00 N ATOM 168 NH2 ARG A 12 -0.835 10.800 -3.525 1.00 0.00 N ATOM 0 H ARG A 12 -2.718 3.283 -6.687 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.027 3.563 -5.775 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.740 5.501 -6.777 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.411 5.262 -6.306 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.962 6.086 -4.057 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.240 6.159 -4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.629 7.865 -6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.356 7.778 -5.854 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.446 8.394 -3.357 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.726 9.714 -6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.401 11.337 -5.937 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.032 10.484 -2.575 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.573 11.771 -3.696 1.00 0.00 H new ATOM 182 N VAL A 13 -2.439 3.787 -3.541 1.00 0.00 N ATOM 183 CA VAL A 13 -2.724 3.713 -2.123 1.00 0.00 C ATOM 184 C VAL A 13 -2.299 2.378 -1.512 1.00 0.00 C ATOM 185 O VAL A 13 -1.891 2.329 -0.352 1.00 0.00 O ATOM 186 CB VAL A 13 -4.221 3.946 -1.840 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.540 3.691 -0.379 1.00 0.00 C ATOM 188 CG2 VAL A 13 -4.633 5.357 -2.226 1.00 0.00 C ATOM 0 H VAL A 13 -3.258 3.940 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.138 4.505 -1.656 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.788 3.241 -2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.602 3.862 -0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.292 2.660 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.956 4.368 0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.694 5.496 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.052 6.076 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.450 5.512 -3.289 1.00 0.00 H new ATOM 198 N ILE A 14 -2.385 1.298 -2.286 1.00 0.00 N ATOM 199 CA ILE A 14 -2.027 -0.020 -1.776 1.00 0.00 C ATOM 200 C ILE A 14 -0.519 -0.172 -1.552 1.00 0.00 C ATOM 201 O ILE A 14 -0.091 -0.558 -0.468 1.00 0.00 O ATOM 202 CB ILE A 14 -2.532 -1.155 -2.694 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.897 -1.073 -4.082 1.00 0.00 C ATOM 204 CG2 ILE A 14 -4.047 -1.117 -2.800 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.280 -2.218 -4.995 1.00 0.00 C ATOM 0 H ILE A 14 -2.696 1.310 -3.257 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.525 -0.105 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.235 -2.104 -2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.189 -0.133 -4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.812 -1.052 -3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.387 -1.923 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.484 -1.241 -1.809 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.359 -0.159 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.792 -2.092 -5.961 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.963 -3.161 -4.549 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.361 -2.227 -5.133 1.00 0.00 H new ATOM 217 N LEU A 15 0.289 0.132 -2.560 1.00 0.00 N ATOM 218 CA LEU A 15 1.735 -0.013 -2.402 1.00 0.00 C ATOM 219 C LEU A 15 2.275 0.932 -1.329 1.00 0.00 C ATOM 220 O LEU A 15 3.221 0.601 -0.613 1.00 0.00 O ATOM 221 CB LEU A 15 2.449 0.234 -3.732 1.00 0.00 C ATOM 222 CG LEU A 15 1.955 -0.624 -4.897 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.274 0.042 -6.224 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.578 -2.009 -4.834 1.00 0.00 C ATOM 0 H LEU A 15 -0.018 0.471 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 15 1.932 -1.036 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.335 1.284 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.515 0.054 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 15 0.873 -0.726 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.915 -0.584 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.785 1.015 -6.270 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.352 0.174 -6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.217 -2.609 -5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.663 -1.923 -4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.301 -2.490 -3.896 1.00 0.00 H new ATOM 236 N LEU A 16 1.657 2.101 -1.208 1.00 0.00 N ATOM 237 CA LEU A 16 2.085 3.085 -0.238 1.00 0.00 C ATOM 238 C LEU A 16 1.697 2.664 1.175 1.00 0.00 C ATOM 239 O LEU A 16 2.473 2.800 2.127 1.00 0.00 O ATOM 240 CB LEU A 16 1.438 4.415 -0.584 1.00 0.00 C ATOM 241 CG LEU A 16 1.750 5.553 0.369 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.248 5.802 0.433 1.00 0.00 C ATOM 243 CD2 LEU A 16 1.009 6.805 -0.061 1.00 0.00 C ATOM 0 H LEU A 16 0.857 2.385 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 16 3.171 3.175 -0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.754 4.705 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.357 4.277 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 16 1.415 5.278 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.451 6.622 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.752 4.901 0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.616 6.062 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.238 7.618 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.320 7.084 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.064 6.614 -0.053 1.00 0.00 H new ATOM 255 N VAL A 17 0.486 2.155 1.299 1.00 0.00 N ATOM 256 CA VAL A 17 -0.023 1.713 2.583 1.00 0.00 C ATOM 257 C VAL A 17 0.726 0.466 3.063 1.00 0.00 C ATOM 258 O VAL A 17 0.951 0.291 4.259 1.00 0.00 O ATOM 259 CB VAL A 17 -1.536 1.460 2.495 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.844 0.082 1.952 1.00 0.00 C ATOM 261 CG2 VAL A 17 -2.201 1.678 3.840 1.00 0.00 C ATOM 0 H VAL A 17 -0.166 2.037 0.523 1.00 0.00 H new ATOM 0 HA VAL A 17 0.146 2.500 3.318 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.948 2.184 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.924 -0.058 1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.422 -0.018 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.408 -0.673 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.271 1.493 3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.774 0.993 4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.036 2.705 4.165 1.00 0.00 H new ATOM 271 N LEU A 18 1.104 -0.399 2.121 1.00 0.00 N ATOM 272 CA LEU A 18 1.876 -1.590 2.452 1.00 0.00 C ATOM 273 C LEU A 18 3.288 -1.170 2.819 1.00 0.00 C ATOM 274 O LEU A 18 3.979 -1.834 3.591 1.00 0.00 O ATOM 275 CB LEU A 18 1.928 -2.542 1.256 1.00 0.00 C ATOM 276 CG LEU A 18 0.793 -3.554 1.155 1.00 0.00 C ATOM 277 CD1 LEU A 18 0.942 -4.629 2.219 1.00 0.00 C ATOM 278 CD2 LEU A 18 -0.566 -2.884 1.270 1.00 0.00 C ATOM 0 H LEU A 18 0.888 -0.296 1.129 1.00 0.00 H new ATOM 0 HA LEU A 18 1.402 -2.104 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.939 -1.946 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.871 -3.087 1.292 1.00 0.00 H new ATOM 0 HG LEU A 18 0.853 -4.019 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.123 -5.343 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.891 -5.147 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.919 -4.169 3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.350 -3.637 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.642 -2.378 2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.682 -2.156 0.467 1.00 0.00 H new ATOM 290 N TYR A 19 3.694 -0.046 2.240 1.00 0.00 N ATOM 291 CA TYR A 19 5.028 0.501 2.464 1.00 0.00 C ATOM 292 C TYR A 19 5.317 0.719 3.943 1.00 0.00 C ATOM 293 O TYR A 19 6.227 0.109 4.492 1.00 0.00 O ATOM 294 CB TYR A 19 5.178 1.819 1.698 1.00 0.00 C ATOM 295 CG TYR A 19 6.520 2.499 1.864 1.00 0.00 C ATOM 296 CD1 TYR A 19 7.624 2.093 1.126 1.00 0.00 C ATOM 297 CD2 TYR A 19 6.672 3.561 2.746 1.00 0.00 C ATOM 298 CE1 TYR A 19 8.845 2.727 1.263 1.00 0.00 C ATOM 299 CE2 TYR A 19 7.891 4.198 2.891 1.00 0.00 C ATOM 300 CZ TYR A 19 8.973 3.778 2.147 1.00 0.00 C ATOM 301 OH TYR A 19 10.186 4.412 2.285 1.00 0.00 O ATOM 0 H TYR A 19 3.115 0.507 1.608 1.00 0.00 H new ATOM 0 HA TYR A 19 5.752 -0.226 2.097 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.012 1.628 0.638 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.396 2.504 2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.527 1.269 0.434 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.825 3.895 3.328 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.694 2.401 0.681 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.995 5.020 3.584 1.00 0.00 H new ATOM 0 HH TYR A 19 10.106 5.131 2.946 1.00 0.00 H new ATOM 311 N ARG A 20 4.508 1.538 4.601 1.00 0.00 N ATOM 312 CA ARG A 20 4.728 1.837 6.015 1.00 0.00 C ATOM 313 C ARG A 20 4.849 0.580 6.870 1.00 0.00 C ATOM 314 O ARG A 20 5.817 0.429 7.615 1.00 0.00 O ATOM 315 CB ARG A 20 3.598 2.714 6.535 1.00 0.00 C ATOM 316 CG ARG A 20 2.232 2.301 6.023 1.00 0.00 C ATOM 317 CD ARG A 20 1.214 3.406 6.221 1.00 0.00 C ATOM 318 NE ARG A 20 1.013 3.722 7.633 1.00 0.00 N ATOM 319 CZ ARG A 20 0.215 4.693 8.066 1.00 0.00 C ATOM 320 NH1 ARG A 20 -0.458 5.439 7.201 1.00 0.00 N ATOM 321 NH2 ARG A 20 0.087 4.918 9.367 1.00 0.00 N ATOM 0 H ARG A 20 3.701 2.004 4.187 1.00 0.00 H new ATOM 0 HA ARG A 20 5.678 2.366 6.091 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.595 2.682 7.625 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.788 3.748 6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.298 2.050 4.964 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.902 1.402 6.544 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.544 4.301 5.693 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.264 3.107 5.778 1.00 0.00 H new ATOM 0 HE ARG A 20 1.514 3.166 8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.364 5.269 6.200 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.069 6.183 7.537 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.601 4.346 10.037 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.526 5.663 9.698 1.00 0.00 H new ATOM 335 N GLU A 21 3.883 -0.325 6.767 1.00 0.00 N ATOM 336 CA GLU A 21 3.932 -1.550 7.562 1.00 0.00 C ATOM 337 C GLU A 21 5.185 -2.351 7.228 1.00 0.00 C ATOM 338 O GLU A 21 5.696 -3.100 8.056 1.00 0.00 O ATOM 339 CB GLU A 21 2.686 -2.402 7.324 1.00 0.00 C ATOM 340 CG GLU A 21 2.573 -3.572 8.285 1.00 0.00 C ATOM 341 CD GLU A 21 2.495 -3.132 9.734 1.00 0.00 C ATOM 342 OE1 GLU A 21 1.369 -2.904 10.225 1.00 0.00 O ATOM 343 OE2 GLU A 21 3.559 -3.013 10.376 1.00 0.00 O ATOM 0 H GLU A 21 3.071 -0.240 6.155 1.00 0.00 H new ATOM 0 HA GLU A 21 3.963 -1.270 8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.800 -1.774 7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.701 -2.779 6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.686 -4.156 8.038 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.433 -4.229 8.155 1.00 0.00 H new ATOM 350 N HIS A 22 5.666 -2.195 6.001 1.00 0.00 N ATOM 351 CA HIS A 22 6.869 -2.908 5.590 1.00 0.00 C ATOM 352 C HIS A 22 8.092 -2.331 6.293 1.00 0.00 C ATOM 353 O HIS A 22 9.001 -3.064 6.683 1.00 0.00 O ATOM 354 CB HIS A 22 7.039 -2.836 4.074 1.00 0.00 C ATOM 355 CG HIS A 22 8.302 -3.470 3.574 1.00 0.00 C ATOM 356 ND1 HIS A 22 8.344 -4.733 3.022 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.574 -3.003 3.537 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.585 -5.016 2.668 1.00 0.00 C ATOM 359 NE2 HIS A 22 10.350 -3.983 2.969 1.00 0.00 N ATOM 0 H HIS A 22 5.253 -1.595 5.287 1.00 0.00 H new ATOM 0 HA HIS A 22 6.768 -3.955 5.875 1.00 0.00 H new ATOM 0 HB2 HIS A 22 6.187 -3.323 3.599 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.022 -1.791 3.765 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.914 -2.040 3.889 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.917 -5.936 2.210 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.355 -3.923 2.806 1.00 0.00 H new ATOM 368 N LEU A 23 8.105 -1.010 6.451 1.00 0.00 N ATOM 369 CA LEU A 23 9.214 -0.343 7.121 1.00 0.00 C ATOM 370 C LEU A 23 9.155 -0.573 8.624 1.00 0.00 C ATOM 371 O LEU A 23 9.904 0.042 9.381 1.00 0.00 O ATOM 372 CB LEU A 23 9.192 1.159 6.835 1.00 0.00 C ATOM 373 CG LEU A 23 9.669 1.561 5.442 1.00 0.00 C ATOM 374 CD1 LEU A 23 8.625 1.224 4.392 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.013 3.042 5.404 1.00 0.00 C ATOM 0 H LEU A 23 7.366 -0.386 6.127 1.00 0.00 H new ATOM 0 HA LEU A 23 10.140 -0.768 6.733 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.174 1.524 6.973 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.814 1.663 7.574 1.00 0.00 H new ATOM 0 HG LEU A 23 10.570 0.992 5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.989 1.520 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.434 0.151 4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.701 1.758 4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.351 3.311 4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.129 3.627 5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.805 3.250 6.123 1.00 0.00 H new ATOM 387 N ASN A 24 8.259 -1.456 9.045 1.00 0.00 N ATOM 388 CA ASN A 24 8.101 -1.758 10.465 1.00 0.00 C ATOM 389 C ASN A 24 9.021 -2.893 10.919 1.00 0.00 C ATOM 390 O ASN A 24 8.780 -4.058 10.608 1.00 0.00 O ATOM 391 CB ASN A 24 6.651 -2.123 10.780 1.00 0.00 C ATOM 392 CG ASN A 24 5.774 -0.897 10.940 1.00 0.00 C ATOM 393 OD1 ASN A 24 5.215 -0.387 9.973 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.654 -0.416 12.170 1.00 0.00 N ATOM 0 H ASN A 24 7.633 -1.974 8.429 1.00 0.00 H new ATOM 0 HA ASN A 24 8.380 -0.857 11.012 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.254 -2.750 9.981 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.617 -2.714 11.695 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.079 0.409 12.341 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.136 -0.871 12.945 1.00 0.00 H new ATOM 401 N PRO A 25 10.093 -2.561 11.663 1.00 0.00 N ATOM 402 CA PRO A 25 11.033 -3.553 12.187 1.00 0.00 C ATOM 403 C PRO A 25 10.435 -4.313 13.358 1.00 0.00 C ATOM 404 O PRO A 25 10.475 -5.542 13.411 1.00 0.00 O ATOM 405 CB PRO A 25 12.226 -2.720 12.678 1.00 0.00 C ATOM 406 CG PRO A 25 11.966 -1.318 12.231 1.00 0.00 C ATOM 407 CD PRO A 25 10.480 -1.201 12.041 1.00 0.00 C ATOM 0 HA PRO A 25 11.300 -4.294 11.433 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.317 -2.772 13.763 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.161 -3.095 12.261 1.00 0.00 H new ATOM 0 HG2 PRO A 25 12.320 -0.602 12.973 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.494 -1.102 11.302 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.980 -0.877 12.954 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.227 -0.478 11.265 1.00 0.00 H new ATOM 415 N ASN A 26 9.880 -3.556 14.298 1.00 0.00 N ATOM 416 CA ASN A 26 9.268 -4.144 15.478 1.00 0.00 C ATOM 417 C ASN A 26 7.761 -4.279 15.272 1.00 0.00 C ATOM 418 O ASN A 26 7.002 -4.461 16.224 1.00 0.00 O ATOM 419 CB ASN A 26 9.564 -3.284 16.710 1.00 0.00 C ATOM 420 CG ASN A 26 9.122 -3.940 18.004 1.00 0.00 C ATOM 421 OD1 ASN A 26 8.002 -3.727 18.472 1.00 0.00 O ATOM 422 ND2 ASN A 26 10.000 -4.745 18.590 1.00 0.00 N ATOM 0 H ASN A 26 9.843 -2.537 14.264 1.00 0.00 H new ATOM 0 HA ASN A 26 9.689 -5.136 15.639 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.634 -3.081 16.758 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.062 -2.322 16.605 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.758 -5.215 19.462 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.917 -4.893 18.168 1.00 0.00 H new ATOM 429 N GLY A 27 7.342 -4.200 14.013 1.00 0.00 N ATOM 430 CA GLY A 27 5.927 -4.312 13.712 1.00 0.00 C ATOM 431 C GLY A 27 5.634 -5.482 12.799 1.00 0.00 C ATOM 432 O GLY A 27 5.481 -6.615 13.256 1.00 0.00 O ATOM 0 H GLY A 27 7.949 -4.062 13.205 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.367 -4.427 14.640 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.582 -3.391 13.243 1.00 0.00 H new ATOM 436 N HIS A 28 5.557 -5.205 11.504 1.00 0.00 N ATOM 437 CA HIS A 28 5.284 -6.240 10.516 1.00 0.00 C ATOM 438 C HIS A 28 6.043 -5.961 9.223 1.00 0.00 C ATOM 439 O HIS A 28 6.889 -5.071 9.168 1.00 0.00 O ATOM 440 CB HIS A 28 3.783 -6.319 10.227 1.00 0.00 C ATOM 441 CG HIS A 28 2.938 -6.491 11.450 1.00 0.00 C ATOM 442 ND1 HIS A 28 2.278 -5.445 12.061 1.00 0.00 N ATOM 443 CD2 HIS A 28 2.642 -7.594 12.176 1.00 0.00 C ATOM 444 CE1 HIS A 28 1.615 -5.898 13.110 1.00 0.00 C ATOM 445 NE2 HIS A 28 1.818 -7.199 13.200 1.00 0.00 N ATOM 0 H HIS A 28 5.680 -4.271 11.113 1.00 0.00 H new ATOM 0 HA HIS A 28 5.619 -7.194 10.922 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.474 -5.411 9.709 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.597 -7.152 9.549 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.990 -8.599 11.985 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.010 -5.305 13.780 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.426 -7.812 13.915 1.00 0.00 H new ATOM 454 N HIS A 29 5.733 -6.732 8.191 1.00 0.00 N ATOM 455 CA HIS A 29 6.366 -6.571 6.888 1.00 0.00 C ATOM 456 C HIS A 29 5.347 -6.826 5.787 1.00 0.00 C ATOM 457 O HIS A 29 5.702 -7.110 4.642 1.00 0.00 O ATOM 458 CB HIS A 29 7.547 -7.535 6.743 1.00 0.00 C ATOM 459 CG HIS A 29 8.633 -7.308 7.748 1.00 0.00 C ATOM 460 ND1 HIS A 29 8.784 -8.081 8.881 1.00 0.00 N ATOM 461 CD2 HIS A 29 9.630 -6.391 7.785 1.00 0.00 C ATOM 462 CE1 HIS A 29 9.825 -7.648 9.571 1.00 0.00 C ATOM 463 NE2 HIS A 29 10.356 -6.624 8.928 1.00 0.00 N ATOM 0 H HIS A 29 5.042 -7.481 8.231 1.00 0.00 H new ATOM 0 HA HIS A 29 6.740 -5.551 6.803 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.184 -8.558 6.838 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.964 -7.437 5.741 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.819 -5.620 7.052 1.00 0.00 H new ATOM 0 HE1 HIS A 29 10.181 -8.062 10.503 1.00 0.00 H new ATOM 0 HE2 HIS A 29 11.172 -6.093 9.231 1.00 0.00 H new ATOM 472 N PHE A 30 4.075 -6.709 6.151 1.00 0.00 N ATOM 473 CA PHE A 30 2.978 -6.944 5.214 1.00 0.00 C ATOM 474 C PHE A 30 1.640 -6.539 5.820 1.00 0.00 C ATOM 475 O PHE A 30 1.562 -6.153 6.986 1.00 0.00 O ATOM 476 CB PHE A 30 2.907 -8.427 4.830 1.00 0.00 C ATOM 477 CG PHE A 30 2.745 -9.347 6.009 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.495 -9.555 6.574 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.837 -10.003 6.552 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.339 -10.399 7.655 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.686 -10.849 7.635 1.00 0.00 C ATOM 482 CZ PHE A 30 2.436 -11.047 8.187 1.00 0.00 C ATOM 0 H PHE A 30 3.775 -6.452 7.091 1.00 0.00 H new ATOM 0 HA PHE A 30 3.173 -6.338 4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.072 -8.577 4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.814 -8.698 4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.633 -9.050 6.163 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.817 -9.852 6.125 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.360 -10.552 8.084 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.546 -11.355 8.049 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.317 -11.707 9.033 1.00 0.00 H new ATOM 492 N LEU A 31 0.591 -6.647 5.012 1.00 0.00 N ATOM 493 CA LEU A 31 -0.755 -6.322 5.453 1.00 0.00 C ATOM 494 C LEU A 31 -1.784 -7.009 4.567 1.00 0.00 C ATOM 495 O LEU A 31 -1.581 -7.154 3.361 1.00 0.00 O ATOM 496 CB LEU A 31 -0.985 -4.812 5.424 1.00 0.00 C ATOM 497 CG LEU A 31 -0.437 -4.034 6.619 1.00 0.00 C ATOM 498 CD1 LEU A 31 -0.740 -2.551 6.474 1.00 0.00 C ATOM 499 CD2 LEU A 31 -1.011 -4.572 7.924 1.00 0.00 C ATOM 0 H LEU A 31 0.651 -6.959 4.043 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.868 -6.677 6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.534 -4.412 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.057 -4.628 5.355 1.00 0.00 H new ATOM 0 HG LEU A 31 0.645 -4.165 6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.342 -2.013 7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.277 -2.172 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.819 -2.404 6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.607 -4.003 8.761 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.097 -4.476 7.911 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.741 -5.622 8.035 1.00 0.00 H new ATOM 511 N THR A 32 -2.887 -7.431 5.168 1.00 0.00 N ATOM 512 CA THR A 32 -3.941 -8.089 4.412 1.00 0.00 C ATOM 513 C THR A 32 -4.923 -7.054 3.876 1.00 0.00 C ATOM 514 O THR A 32 -5.061 -5.976 4.452 1.00 0.00 O ATOM 515 CB THR A 32 -4.691 -9.121 5.273 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.313 -8.470 6.385 1.00 0.00 O ATOM 517 CG2 THR A 32 -3.736 -10.193 5.779 1.00 0.00 C ATOM 0 H THR A 32 -3.074 -7.331 6.166 1.00 0.00 H new ATOM 0 HA THR A 32 -3.475 -8.616 3.580 1.00 0.00 H new ATOM 0 HB THR A 32 -5.454 -9.594 4.655 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.652 -9.144 7.011 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.286 -10.913 6.386 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.281 -10.705 4.931 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.956 -9.730 6.383 1.00 0.00 H new ATOM 525 N LYS A 33 -5.604 -7.383 2.783 1.00 0.00 N ATOM 526 CA LYS A 33 -6.548 -6.433 2.193 1.00 0.00 C ATOM 527 C LYS A 33 -7.532 -5.910 3.231 1.00 0.00 C ATOM 528 O LYS A 33 -7.877 -4.728 3.229 1.00 0.00 O ATOM 529 CB LYS A 33 -7.318 -7.083 1.046 1.00 0.00 C ATOM 530 CG LYS A 33 -7.915 -6.072 0.077 1.00 0.00 C ATOM 531 CD LYS A 33 -8.622 -6.752 -1.086 1.00 0.00 C ATOM 532 CE LYS A 33 -9.204 -5.734 -2.057 1.00 0.00 C ATOM 533 NZ LYS A 33 -9.894 -6.391 -3.201 1.00 0.00 N ATOM 0 H LYS A 33 -5.526 -8.276 2.296 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.968 -5.593 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.650 -7.750 0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.118 -7.699 1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.621 -5.433 0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.125 -5.425 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.920 -7.398 -1.612 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.419 -7.391 -0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.908 -5.090 -1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.406 -5.094 -2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.276 -5.664 -3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.217 -6.986 -3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.672 -6.982 -2.844 1.00 0.00 H new ATOM 547 N GLU A 34 -7.980 -6.791 4.112 1.00 0.00 N ATOM 548 CA GLU A 34 -8.918 -6.390 5.153 1.00 0.00 C ATOM 549 C GLU A 34 -8.289 -5.339 6.066 1.00 0.00 C ATOM 550 O GLU A 34 -8.968 -4.426 6.536 1.00 0.00 O ATOM 551 CB GLU A 34 -9.366 -7.605 5.969 1.00 0.00 C ATOM 552 CG GLU A 34 -8.227 -8.332 6.663 1.00 0.00 C ATOM 553 CD GLU A 34 -8.704 -9.514 7.483 1.00 0.00 C ATOM 554 OE1 GLU A 34 -8.792 -10.627 6.925 1.00 0.00 O ATOM 555 OE2 GLU A 34 -8.990 -9.326 8.684 1.00 0.00 O ATOM 0 H GLU A 34 -7.715 -7.776 4.129 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.794 -5.952 4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.088 -7.281 6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.882 -8.303 5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.513 -8.678 5.916 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.697 -7.634 7.312 1.00 0.00 H new ATOM 562 N GLU A 35 -6.987 -5.476 6.313 1.00 0.00 N ATOM 563 CA GLU A 35 -6.269 -4.529 7.161 1.00 0.00 C ATOM 564 C GLU A 35 -6.084 -3.204 6.435 1.00 0.00 C ATOM 565 O GLU A 35 -6.159 -2.135 7.041 1.00 0.00 O ATOM 566 CB GLU A 35 -4.907 -5.091 7.579 1.00 0.00 C ATOM 567 CG GLU A 35 -5.003 -6.313 8.477 1.00 0.00 C ATOM 568 CD GLU A 35 -5.671 -6.011 9.805 1.00 0.00 C ATOM 569 OE1 GLU A 35 -4.954 -5.647 10.761 1.00 0.00 O ATOM 570 OE2 GLU A 35 -6.911 -6.136 9.888 1.00 0.00 O ATOM 0 H GLU A 35 -6.411 -6.230 5.939 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.863 -4.363 8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.341 -5.351 6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.346 -4.313 8.097 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.563 -7.094 7.962 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.002 -6.705 8.659 1.00 0.00 H new ATOM 577 N LEU A 36 -5.837 -3.290 5.133 1.00 0.00 N ATOM 578 CA LEU A 36 -5.644 -2.094 4.328 1.00 0.00 C ATOM 579 C LEU A 36 -6.843 -1.160 4.440 1.00 0.00 C ATOM 580 O LEU A 36 -6.705 0.051 4.312 1.00 0.00 O ATOM 581 CB LEU A 36 -5.408 -2.470 2.865 1.00 0.00 C ATOM 582 CG LEU A 36 -4.429 -3.623 2.638 1.00 0.00 C ATOM 583 CD1 LEU A 36 -4.106 -3.781 1.160 1.00 0.00 C ATOM 584 CD2 LEU A 36 -3.154 -3.411 3.439 1.00 0.00 C ATOM 0 H LEU A 36 -5.766 -4.167 4.618 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.766 -1.571 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.365 -2.734 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.039 -1.592 2.336 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.906 -4.540 2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.408 -4.607 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.023 -3.987 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.656 -2.862 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.471 -4.242 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.680 -2.480 3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.396 -3.358 4.501 1.00 0.00 H new ATOM 596 N LEU A 37 -8.023 -1.730 4.652 1.00 0.00 N ATOM 597 CA LEU A 37 -9.232 -0.928 4.791 1.00 0.00 C ATOM 598 C LEU A 37 -9.031 0.153 5.851 1.00 0.00 C ATOM 599 O LEU A 37 -9.271 1.334 5.604 1.00 0.00 O ATOM 600 CB LEU A 37 -10.419 -1.818 5.168 1.00 0.00 C ATOM 601 CG LEU A 37 -10.742 -2.931 4.169 1.00 0.00 C ATOM 602 CD1 LEU A 37 -11.880 -3.798 4.686 1.00 0.00 C ATOM 603 CD2 LEU A 37 -11.097 -2.344 2.809 1.00 0.00 C ATOM 0 H LEU A 37 -8.168 -2.737 4.731 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.442 -0.448 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.219 -2.270 6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.302 -1.189 5.285 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.856 -3.556 4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.096 -4.584 3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.592 -4.248 5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.769 -3.184 4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.323 -3.151 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.967 -1.696 2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.254 -1.765 2.432 1.00 0.00 H new ATOM 615 N GLN A 38 -8.585 -0.269 7.029 1.00 0.00 N ATOM 616 CA GLN A 38 -8.337 0.656 8.131 1.00 0.00 C ATOM 617 C GLN A 38 -7.058 1.459 7.899 1.00 0.00 C ATOM 618 O GLN A 38 -6.998 2.652 8.195 1.00 0.00 O ATOM 619 CB GLN A 38 -8.241 -0.107 9.453 1.00 0.00 C ATOM 620 CG GLN A 38 -9.497 -0.892 9.795 1.00 0.00 C ATOM 621 CD GLN A 38 -9.375 -1.643 11.107 1.00 0.00 C ATOM 622 OE1 GLN A 38 -9.709 -1.118 12.170 1.00 0.00 O ATOM 623 NE2 GLN A 38 -8.898 -2.880 11.039 1.00 0.00 N ATOM 0 H GLN A 38 -8.387 -1.246 7.246 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.174 1.352 8.179 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.395 -0.793 9.406 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.034 0.600 10.257 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.345 -0.209 9.849 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.708 -1.600 8.994 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.633 -3.276 10.137 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.796 -3.435 11.889 1.00 0.00 H new ATOM 632 N ARG A 39 -6.036 0.790 7.370 1.00 0.00 N ATOM 633 CA ARG A 39 -4.751 1.425 7.105 1.00 0.00 C ATOM 634 C ARG A 39 -4.891 2.589 6.126 1.00 0.00 C ATOM 635 O ARG A 39 -4.474 3.713 6.411 1.00 0.00 O ATOM 636 CB ARG A 39 -3.792 0.386 6.538 1.00 0.00 C ATOM 637 CG ARG A 39 -2.350 0.619 6.927 1.00 0.00 C ATOM 638 CD ARG A 39 -2.095 0.237 8.377 1.00 0.00 C ATOM 639 NE ARG A 39 -2.719 1.167 9.313 1.00 0.00 N ATOM 640 CZ ARG A 39 -2.779 0.963 10.626 1.00 0.00 C ATOM 641 NH1 ARG A 39 -2.257 -0.135 11.155 1.00 0.00 N ATOM 642 NH2 ARG A 39 -3.365 1.857 11.411 1.00 0.00 N ATOM 0 H ARG A 39 -6.075 -0.197 7.116 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.364 1.826 8.042 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.097 -0.603 6.880 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.871 0.385 5.451 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.698 0.037 6.276 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.096 1.668 6.776 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.476 -0.768 8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.021 0.208 8.559 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.132 2.021 8.939 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.808 -0.826 10.555 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.305 -0.288 12.162 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.770 2.702 11.008 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.411 1.700 12.418 1.00 0.00 H new ATOM 656 N CYS A 40 -5.479 2.302 4.975 1.00 0.00 N ATOM 657 CA CYS A 40 -5.702 3.308 3.939 1.00 0.00 C ATOM 658 C CYS A 40 -6.494 4.486 4.490 1.00 0.00 C ATOM 659 O CYS A 40 -6.343 5.618 4.032 1.00 0.00 O ATOM 660 CB CYS A 40 -6.442 2.702 2.744 1.00 0.00 C ATOM 661 SG CYS A 40 -7.176 3.927 1.635 1.00 0.00 S ATOM 0 H CYS A 40 -5.815 1.371 4.730 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.727 3.664 3.607 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.748 2.083 2.176 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.228 2.043 3.113 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.046 5.113 2.151 1.00 0.00 H new ATOM 667 N ALA A 41 -7.356 4.206 5.464 1.00 0.00 N ATOM 668 CA ALA A 41 -8.173 5.248 6.077 1.00 0.00 C ATOM 669 C ALA A 41 -7.320 6.355 6.696 1.00 0.00 C ATOM 670 O ALA A 41 -7.854 7.320 7.243 1.00 0.00 O ATOM 671 CB ALA A 41 -9.094 4.648 7.128 1.00 0.00 C ATOM 0 H ALA A 41 -7.506 3.271 5.844 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.773 5.698 5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.697 5.437 7.577 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.749 3.912 6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.497 4.164 7.901 1.00 0.00 H new ATOM 677 N GLN A 42 -5.997 6.218 6.609 1.00 0.00 N ATOM 678 CA GLN A 42 -5.139 7.248 7.178 1.00 0.00 C ATOM 679 C GLN A 42 -4.651 8.161 6.060 1.00 0.00 C ATOM 680 O GLN A 42 -4.288 9.316 6.288 1.00 0.00 O ATOM 681 CB GLN A 42 -3.948 6.619 7.905 1.00 0.00 C ATOM 682 CG GLN A 42 -4.348 5.722 9.064 1.00 0.00 C ATOM 683 CD GLN A 42 -3.150 5.156 9.802 1.00 0.00 C ATOM 684 OE1 GLN A 42 -2.656 5.753 10.757 1.00 0.00 O ATOM 685 NE2 GLN A 42 -2.676 3.997 9.358 1.00 0.00 N ATOM 0 H GLN A 42 -5.514 5.436 6.168 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.708 7.828 7.904 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.363 6.038 7.192 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.300 7.412 8.277 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.965 6.289 9.761 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.961 4.902 8.690 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.118 3.537 8.562 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.871 3.567 9.813 1.00 0.00 H new ATOM 694 N LYS A 43 -4.648 7.610 4.847 1.00 0.00 N ATOM 695 CA LYS A 43 -4.223 8.330 3.651 1.00 0.00 C ATOM 696 C LYS A 43 -4.858 9.713 3.597 1.00 0.00 C ATOM 697 O LYS A 43 -4.195 10.727 3.819 1.00 0.00 O ATOM 698 CB LYS A 43 -4.622 7.538 2.407 1.00 0.00 C ATOM 699 CG LYS A 43 -3.832 7.920 1.170 1.00 0.00 C ATOM 700 CD LYS A 43 -2.653 6.985 0.942 1.00 0.00 C ATOM 701 CE LYS A 43 -1.653 7.013 2.093 1.00 0.00 C ATOM 702 NZ LYS A 43 -2.061 6.124 3.217 1.00 0.00 N ATOM 0 H LYS A 43 -4.941 6.650 4.667 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.140 8.446 3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.484 6.475 2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.684 7.691 2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.487 7.898 0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.470 8.943 1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.021 5.968 0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.146 7.264 0.018 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.673 6.707 1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.552 8.035 2.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.278 6.701 4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.905 5.582 2.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.285 5.468 3.440 1.00 0.00 H new ATOM 885 N PRO A 56 -9.792 -4.747 -6.759 1.00 0.00 N ATOM 886 CA PRO A 56 -9.376 -6.032 -7.330 1.00 0.00 C ATOM 887 C PRO A 56 -8.067 -5.896 -8.101 1.00 0.00 C ATOM 888 O PRO A 56 -7.427 -6.889 -8.450 1.00 0.00 O ATOM 889 CB PRO A 56 -10.521 -6.399 -8.278 1.00 0.00 C ATOM 890 CG PRO A 56 -11.703 -5.673 -7.742 1.00 0.00 C ATOM 891 CD PRO A 56 -11.171 -4.397 -7.153 1.00 0.00 C ATOM 0 HA PRO A 56 -9.196 -6.787 -6.565 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.300 -6.095 -9.301 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.692 -7.475 -8.295 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.426 -5.467 -8.531 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.217 -6.267 -6.987 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.187 -3.583 -7.878 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.763 -4.073 -6.297 1.00 0.00 H new ATOM 899 N ALA A 57 -7.683 -4.648 -8.362 1.00 0.00 N ATOM 900 CA ALA A 57 -6.453 -4.349 -9.081 1.00 0.00 C ATOM 901 C ALA A 57 -5.236 -4.880 -8.331 1.00 0.00 C ATOM 902 O ALA A 57 -4.233 -5.248 -8.942 1.00 0.00 O ATOM 903 CB ALA A 57 -6.332 -2.848 -9.299 1.00 0.00 C ATOM 0 H ALA A 57 -8.214 -3.823 -8.082 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.491 -4.847 -10.050 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.409 -2.632 -9.838 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.183 -2.495 -9.881 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.317 -2.340 -8.335 1.00 0.00 H new ATOM 909 N LEU A 58 -5.332 -4.913 -7.004 1.00 0.00 N ATOM 910 CA LEU A 58 -4.240 -5.407 -6.171 1.00 0.00 C ATOM 911 C LEU A 58 -3.746 -6.758 -6.674 1.00 0.00 C ATOM 912 O LEU A 58 -2.542 -6.972 -6.837 1.00 0.00 O ATOM 913 CB LEU A 58 -4.697 -5.516 -4.713 1.00 0.00 C ATOM 914 CG LEU A 58 -3.711 -6.197 -3.761 1.00 0.00 C ATOM 915 CD1 LEU A 58 -2.333 -5.561 -3.859 1.00 0.00 C ATOM 916 CD2 LEU A 58 -4.227 -6.124 -2.332 1.00 0.00 C ATOM 0 H LEU A 58 -6.153 -4.604 -6.484 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.414 -4.699 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.902 -4.513 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.639 -6.065 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.622 -7.244 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.651 -6.063 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.959 -5.658 -4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.400 -4.505 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.517 -6.612 -1.664 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.342 -5.080 -2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.191 -6.628 -2.267 1.00 0.00 H new ATOM 928 N ARG A 59 -4.682 -7.669 -6.918 1.00 0.00 N ATOM 929 CA ARG A 59 -4.337 -8.988 -7.423 1.00 0.00 C ATOM 930 C ARG A 59 -3.547 -8.856 -8.719 1.00 0.00 C ATOM 931 O ARG A 59 -2.603 -9.609 -8.965 1.00 0.00 O ATOM 932 CB ARG A 59 -5.601 -9.820 -7.660 1.00 0.00 C ATOM 933 CG ARG A 59 -6.418 -10.054 -6.400 1.00 0.00 C ATOM 934 CD ARG A 59 -7.651 -10.897 -6.686 1.00 0.00 C ATOM 935 NE ARG A 59 -8.437 -11.142 -5.479 1.00 0.00 N ATOM 936 CZ ARG A 59 -9.466 -11.983 -5.428 1.00 0.00 C ATOM 937 NH1 ARG A 59 -9.832 -12.657 -6.511 1.00 0.00 N ATOM 938 NH2 ARG A 59 -10.130 -12.152 -4.293 1.00 0.00 N ATOM 0 H ARG A 59 -5.680 -7.517 -6.774 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.723 -9.497 -6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.224 -9.317 -8.399 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.318 -10.783 -8.084 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.801 -10.552 -5.652 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.721 -9.096 -5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.271 -10.393 -7.427 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.347 -11.849 -7.120 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.182 -10.640 -4.628 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.324 -12.531 -7.386 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.622 -13.301 -6.468 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.852 -11.637 -3.458 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.919 -12.797 -4.255 1.00 0.00 H new ATOM 952 N SER A 60 -3.944 -7.891 -9.543 1.00 0.00 N ATOM 953 CA SER A 60 -3.259 -7.654 -10.806 1.00 0.00 C ATOM 954 C SER A 60 -1.824 -7.200 -10.560 1.00 0.00 C ATOM 955 O SER A 60 -0.930 -7.487 -11.356 1.00 0.00 O ATOM 956 CB SER A 60 -4.006 -6.605 -11.634 1.00 0.00 C ATOM 957 OG SER A 60 -5.336 -7.019 -11.899 1.00 0.00 O ATOM 0 H SER A 60 -4.729 -7.266 -9.360 1.00 0.00 H new ATOM 0 HA SER A 60 -3.239 -8.591 -11.363 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.017 -5.655 -11.100 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.480 -6.436 -12.574 1.00 0.00 H new ATOM 0 HG SER A 60 -5.793 -6.332 -12.428 1.00 0.00 H new ATOM 963 N LEU A 61 -1.606 -6.486 -9.456 1.00 0.00 N ATOM 964 CA LEU A 61 -0.267 -6.017 -9.124 1.00 0.00 C ATOM 965 C LEU A 61 0.638 -7.192 -8.773 1.00 0.00 C ATOM 966 O LEU A 61 1.832 -7.175 -9.073 1.00 0.00 O ATOM 967 CB LEU A 61 -0.300 -5.003 -7.979 1.00 0.00 C ATOM 968 CG LEU A 61 -0.541 -3.557 -8.411 1.00 0.00 C ATOM 969 CD1 LEU A 61 -2.029 -3.252 -8.468 1.00 0.00 C ATOM 970 CD2 LEU A 61 0.176 -2.599 -7.475 1.00 0.00 C ATOM 0 H LEU A 61 -2.330 -6.224 -8.787 1.00 0.00 H new ATOM 0 HA LEU A 61 0.138 -5.514 -10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.082 -5.293 -7.278 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.646 -5.054 -7.440 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.134 -3.423 -9.413 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.177 -2.217 -8.778 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.510 -3.918 -9.185 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.469 -3.402 -7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.005 -1.573 -7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.198 -2.733 -6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.247 -2.802 -7.497 1.00 0.00 H new ATOM 982 N LEU A 62 0.065 -8.211 -8.130 1.00 0.00 N ATOM 983 CA LEU A 62 0.832 -9.400 -7.784 1.00 0.00 C ATOM 984 C LEU A 62 1.508 -9.927 -9.039 1.00 0.00 C ATOM 985 O LEU A 62 2.627 -10.439 -9.001 1.00 0.00 O ATOM 986 CB LEU A 62 -0.082 -10.483 -7.210 1.00 0.00 C ATOM 987 CG LEU A 62 -0.868 -10.099 -5.951 1.00 0.00 C ATOM 988 CD1 LEU A 62 -2.032 -11.056 -5.746 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.035 -10.109 -4.726 1.00 0.00 C ATOM 0 H LEU A 62 -0.914 -8.234 -7.843 1.00 0.00 H new ATOM 0 HA LEU A 62 1.576 -9.139 -7.031 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.792 -10.778 -7.982 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.524 -11.360 -6.983 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.256 -9.089 -6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.582 -10.773 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.697 -11.011 -6.609 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.653 -12.072 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.544 -9.833 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.451 -11.107 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.846 -9.394 -4.866 1.00 0.00 H new ATOM 1001 N HIS A 63 0.798 -9.787 -10.154 1.00 0.00 N ATOM 1002 CA HIS A 63 1.295 -10.222 -11.447 1.00 0.00 C ATOM 1003 C HIS A 63 2.461 -9.346 -11.887 1.00 0.00 C ATOM 1004 O HIS A 63 3.452 -9.840 -12.425 1.00 0.00 O ATOM 1005 CB HIS A 63 0.171 -10.165 -12.482 1.00 0.00 C ATOM 1006 CG HIS A 63 0.572 -10.659 -13.838 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.352 -11.952 -14.262 1.00 0.00 N ATOM 1008 CD2 HIS A 63 1.179 -10.024 -14.869 1.00 0.00 C ATOM 1009 CE1 HIS A 63 0.807 -12.092 -15.496 1.00 0.00 C ATOM 1010 NE2 HIS A 63 1.313 -10.937 -15.887 1.00 0.00 N ATOM 0 H HIS A 63 -0.133 -9.371 -10.183 1.00 0.00 H new ATOM 0 HA HIS A 63 1.647 -11.250 -11.362 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.670 -10.758 -12.124 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.178 -9.136 -12.569 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.498 -8.992 -14.887 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.771 -12.997 -16.084 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.735 -10.752 -16.797 1.00 0.00 H new ATOM 1019 N ARG A 64 2.338 -8.039 -11.653 1.00 0.00 N ATOM 1020 CA ARG A 64 3.397 -7.109 -12.014 1.00 0.00 C ATOM 1021 C ARG A 64 4.597 -7.300 -11.099 1.00 0.00 C ATOM 1022 O ARG A 64 5.650 -6.694 -11.302 1.00 0.00 O ATOM 1023 CB ARG A 64 2.889 -5.669 -11.924 1.00 0.00 C ATOM 1024 CG ARG A 64 1.712 -5.378 -12.842 1.00 0.00 C ATOM 1025 CD ARG A 64 2.103 -5.490 -14.307 1.00 0.00 C ATOM 1026 NE ARG A 64 0.980 -5.207 -15.197 1.00 0.00 N ATOM 1027 CZ ARG A 64 1.078 -5.174 -16.522 1.00 0.00 C ATOM 1028 NH1 ARG A 64 2.244 -5.408 -17.110 1.00 0.00 N ATOM 1029 NH2 ARG A 64 0.010 -4.910 -17.261 1.00 0.00 N ATOM 0 H ARG A 64 1.522 -7.608 -11.219 1.00 0.00 H new ATOM 0 HA ARG A 64 3.703 -7.309 -13.041 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.596 -5.460 -10.895 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.705 -4.989 -12.168 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.901 -6.074 -12.627 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.333 -4.376 -12.642 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.917 -4.797 -14.519 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.479 -6.493 -14.506 1.00 0.00 H new ATOM 0 HE ARG A 64 0.068 -5.024 -14.778 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.068 -5.614 -16.545 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.317 -5.382 -18.127 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.889 -4.732 -16.813 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.087 -4.885 -18.278 1.00 0.00 H new ATOM 1043 N ASN A 65 4.419 -8.147 -10.087 1.00 0.00 N ATOM 1044 CA ASN A 65 5.480 -8.448 -9.130 1.00 0.00 C ATOM 1045 C ASN A 65 5.806 -7.246 -8.247 1.00 0.00 C ATOM 1046 O ASN A 65 6.914 -7.139 -7.726 1.00 0.00 O ATOM 1047 CB ASN A 65 6.741 -8.922 -9.858 1.00 0.00 C ATOM 1048 CG ASN A 65 6.499 -10.172 -10.683 1.00 0.00 C ATOM 1049 OD1 ASN A 65 7.143 -10.386 -11.709 1.00 0.00 O ATOM 1050 ND2 ASN A 65 5.567 -11.007 -10.235 1.00 0.00 N ATOM 0 H ASN A 65 3.544 -8.639 -9.909 1.00 0.00 H new ATOM 0 HA ASN A 65 5.117 -9.248 -8.484 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.103 -8.125 -10.508 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.526 -9.119 -9.128 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.362 -11.865 -10.747 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.057 -10.790 -9.379 1.00 0.00 H new ATOM 1057 N LEU A 66 4.843 -6.341 -8.084 1.00 0.00 N ATOM 1058 CA LEU A 66 5.050 -5.172 -7.232 1.00 0.00 C ATOM 1059 C LEU A 66 4.603 -5.496 -5.815 1.00 0.00 C ATOM 1060 O LEU A 66 5.106 -4.937 -4.842 1.00 0.00 O ATOM 1061 CB LEU A 66 4.286 -3.956 -7.754 1.00 0.00 C ATOM 1062 CG LEU A 66 4.328 -3.743 -9.271 1.00 0.00 C ATOM 1063 CD1 LEU A 66 3.922 -2.322 -9.611 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.711 -4.039 -9.833 1.00 0.00 C ATOM 0 H LEU A 66 3.924 -6.392 -8.524 1.00 0.00 H new ATOM 0 HA LEU A 66 6.112 -4.925 -7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.244 -4.046 -7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.685 -3.065 -7.270 1.00 0.00 H new ATOM 0 HG LEU A 66 3.622 -4.437 -9.727 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.956 -2.183 -10.692 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.909 -2.137 -9.253 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.609 -1.623 -9.133 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.708 -3.879 -10.911 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.442 -3.376 -9.370 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.976 -5.075 -9.621 1.00 0.00 H new ATOM 1076 N VAL A 67 3.638 -6.402 -5.721 1.00 0.00 N ATOM 1077 CA VAL A 67 3.128 -6.851 -4.437 1.00 0.00 C ATOM 1078 C VAL A 67 3.358 -8.350 -4.299 1.00 0.00 C ATOM 1079 O VAL A 67 3.750 -9.011 -5.261 1.00 0.00 O ATOM 1080 CB VAL A 67 1.629 -6.541 -4.266 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.412 -5.060 -4.008 1.00 0.00 C ATOM 1082 CG2 VAL A 67 0.854 -6.985 -5.486 1.00 0.00 C ATOM 0 H VAL A 67 3.192 -6.841 -6.526 1.00 0.00 H new ATOM 0 HA VAL A 67 3.666 -6.310 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 67 1.262 -7.095 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.346 -4.863 -3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.937 -4.768 -3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.796 -4.484 -4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.203 -6.758 -5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.226 -6.459 -6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.980 -8.059 -5.626 1.00 0.00 H new ATOM 1092 N LEU A 68 3.117 -8.890 -3.113 1.00 0.00 N ATOM 1093 CA LEU A 68 3.325 -10.314 -2.883 1.00 0.00 C ATOM 1094 C LEU A 68 2.205 -10.902 -2.033 1.00 0.00 C ATOM 1095 O LEU A 68 2.030 -10.506 -0.887 1.00 0.00 O ATOM 1096 CB LEU A 68 4.669 -10.525 -2.183 1.00 0.00 C ATOM 1097 CG LEU A 68 5.369 -11.853 -2.482 1.00 0.00 C ATOM 1098 CD1 LEU A 68 6.759 -11.871 -1.865 1.00 0.00 C ATOM 1099 CD2 LEU A 68 4.547 -13.026 -1.968 1.00 0.00 C ATOM 0 H LEU A 68 2.781 -8.371 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 68 3.324 -10.823 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.337 -9.711 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.513 -10.451 -1.107 1.00 0.00 H new ATOM 0 HG LEU A 68 5.465 -11.951 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.243 -12.822 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.352 -11.056 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.679 -11.748 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.064 -13.959 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.416 -12.934 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.571 -13.027 -2.453 1.00 0.00 H new ATOM 1111 N ARG A 69 1.461 -11.853 -2.602 1.00 0.00 N ATOM 1112 CA ARG A 69 0.359 -12.508 -1.892 1.00 0.00 C ATOM 1113 C ARG A 69 0.872 -13.677 -1.060 1.00 0.00 C ATOM 1114 O ARG A 69 1.894 -14.278 -1.387 1.00 0.00 O ATOM 1115 CB ARG A 69 -0.710 -13.000 -2.863 1.00 0.00 C ATOM 1116 CG ARG A 69 -0.149 -13.689 -4.092 1.00 0.00 C ATOM 1117 CD ARG A 69 -1.197 -14.554 -4.770 1.00 0.00 C ATOM 1118 NE ARG A 69 -0.683 -15.194 -5.978 1.00 0.00 N ATOM 1119 CZ ARG A 69 -1.415 -15.971 -6.770 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -2.689 -16.204 -6.483 1.00 0.00 N ATOM 1121 NH2 ARG A 69 -0.874 -16.516 -7.851 1.00 0.00 N ATOM 0 H ARG A 69 1.602 -12.188 -3.555 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.088 -11.767 -1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.372 -13.691 -2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.319 -12.153 -3.179 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.217 -12.941 -4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.705 -14.305 -3.808 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.541 -15.319 -4.074 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.062 -13.942 -5.025 1.00 0.00 H new ATOM 0 HE ARG A 69 0.293 -15.036 -6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.109 -15.786 -5.653 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.248 -16.801 -7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.105 -16.339 -8.076 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.437 -17.112 -8.458 1.00 0.00 H new ATOM 1135 N THR A 70 0.157 -14.002 0.014 1.00 0.00 N ATOM 1136 CA THR A 70 0.591 -15.081 0.890 1.00 0.00 C ATOM 1137 C THR A 70 -0.542 -16.052 1.264 1.00 0.00 C ATOM 1138 O THR A 70 -1.656 -15.974 0.749 1.00 0.00 O ATOM 1139 CB THR A 70 1.251 -14.510 2.162 1.00 0.00 C ATOM 1140 OG1 THR A 70 1.935 -13.296 1.839 1.00 0.00 O ATOM 1141 CG2 THR A 70 2.254 -15.488 2.755 1.00 0.00 C ATOM 0 H THR A 70 -0.709 -13.542 0.293 1.00 0.00 H new ATOM 0 HA THR A 70 1.323 -15.660 0.328 1.00 0.00 H new ATOM 0 HB THR A 70 0.464 -14.328 2.894 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.298 -12.650 1.470 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.700 -15.054 3.650 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.746 -16.416 3.017 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.036 -15.696 2.024 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.194 -16.992 2.133 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.078 -18.050 2.630 1.00 0.00 C ATOM 1151 C HIS A 71 -2.568 -17.697 2.722 1.00 0.00 C ATOM 1152 O HIS A 71 -3.398 -18.397 2.142 1.00 0.00 O ATOM 1153 CB HIS A 71 -0.612 -18.391 4.034 1.00 0.00 C ATOM 1154 CG HIS A 71 0.049 -19.724 4.157 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -0.629 -20.921 4.063 1.00 0.00 N ATOM 1156 CD2 HIS A 71 1.347 -20.043 4.368 1.00 0.00 C ATOM 1157 CE1 HIS A 71 0.224 -21.919 4.211 1.00 0.00 C ATOM 1158 NE2 HIS A 71 1.429 -21.413 4.396 1.00 0.00 N ATOM 0 H HIS A 71 0.745 -17.045 2.528 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.010 -18.864 1.908 1.00 0.00 H new ATOM 0 HB2 HIS A 71 0.083 -17.622 4.370 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.470 -18.361 4.706 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.166 -19.349 4.491 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.023 -22.970 4.185 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.283 -21.953 4.537 1.00 0.00 H new ATOM 1167 N GLN A 72 -2.888 -16.603 3.417 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.300 -16.222 3.612 1.00 0.00 C ATOM 1169 C GLN A 72 -4.449 -15.247 4.788 1.00 0.00 C ATOM 1170 O GLN A 72 -3.767 -15.394 5.802 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.175 -17.451 3.889 1.00 0.00 C ATOM 1172 CG GLN A 72 -6.182 -17.741 2.787 1.00 0.00 C ATOM 1173 CD GLN A 72 -7.030 -18.964 3.080 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -8.093 -18.865 3.692 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -6.560 -20.128 2.643 1.00 0.00 N ATOM 0 H GLN A 72 -2.210 -15.974 3.848 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.628 -15.742 2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.533 -18.322 4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.709 -17.303 4.828 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.832 -16.876 2.656 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.653 -17.887 1.845 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.674 -20.163 2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.086 -20.986 2.811 1.00 0.00 H new ATOM 1184 N PRO A 73 -5.342 -14.234 4.676 1.00 0.00 N ATOM 1185 CA PRO A 73 -6.172 -13.996 3.484 1.00 0.00 C ATOM 1186 C PRO A 73 -5.328 -13.553 2.301 1.00 0.00 C ATOM 1187 O PRO A 73 -5.842 -13.012 1.321 1.00 0.00 O ATOM 1188 CB PRO A 73 -7.128 -12.873 3.912 1.00 0.00 C ATOM 1189 CG PRO A 73 -7.010 -12.794 5.397 1.00 0.00 C ATOM 1190 CD PRO A 73 -5.618 -13.246 5.726 1.00 0.00 C ATOM 0 HA PRO A 73 -6.692 -14.897 3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.855 -11.926 3.446 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.152 -13.093 3.611 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.183 -11.777 5.749 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.751 -13.429 5.882 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.908 -12.420 5.701 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.560 -13.686 6.721 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.025 -13.788 2.443 1.00 0.00 N ATOM 1199 CA ALA A 74 -3.024 -13.467 1.438 1.00 0.00 C ATOM 1200 C ALA A 74 -2.267 -12.217 1.834 1.00 0.00 C ATOM 1201 O ALA A 74 -2.600 -11.111 1.409 1.00 0.00 O ATOM 1202 CB ALA A 74 -3.612 -13.333 0.038 1.00 0.00 C ATOM 0 H ALA A 74 -3.631 -14.217 3.280 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.329 -14.306 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.818 -13.093 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.083 -14.273 -0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.357 -12.537 0.031 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.253 -12.405 2.671 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.447 -11.283 3.124 1.00 0.00 C ATOM 1210 C ARG A 75 0.197 -10.600 1.928 1.00 0.00 C ATOM 1211 O ARG A 75 0.799 -11.256 1.082 1.00 0.00 O ATOM 1212 CB ARG A 75 0.628 -11.778 4.096 1.00 0.00 C ATOM 1213 CG ARG A 75 0.073 -12.622 5.234 1.00 0.00 C ATOM 1214 CD ARG A 75 1.145 -13.511 5.851 1.00 0.00 C ATOM 1215 NE ARG A 75 0.676 -14.166 7.069 1.00 0.00 N ATOM 1216 CZ ARG A 75 1.398 -15.045 7.759 1.00 0.00 C ATOM 1217 NH1 ARG A 75 2.617 -15.373 7.352 1.00 0.00 N ATOM 1218 NH2 ARG A 75 0.901 -15.595 8.858 1.00 0.00 N ATOM 0 H ARG A 75 -0.974 -13.312 3.044 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.083 -10.564 3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.364 -12.364 3.545 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.153 -10.919 4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.344 -11.970 6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.744 -13.241 4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.450 -14.267 5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.027 -12.912 6.078 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.258 -13.937 7.410 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.004 -14.951 6.508 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.168 -16.047 7.883 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.036 -15.344 9.175 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.455 -16.269 9.387 1.00 0.00 H new ATOM 1232 N TYR A 76 0.056 -9.284 1.854 1.00 0.00 N ATOM 1233 CA TYR A 76 0.642 -8.552 0.745 1.00 0.00 C ATOM 1234 C TYR A 76 1.936 -7.881 1.172 1.00 0.00 C ATOM 1235 O TYR A 76 2.035 -7.344 2.273 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.353 -7.537 0.180 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.564 -8.197 -0.443 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.479 -8.804 -1.690 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.784 -8.229 0.220 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.575 -9.421 -2.262 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.886 -8.843 -0.346 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.776 -9.438 -1.586 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.870 -10.051 -2.151 1.00 0.00 O ATOM 0 H TYR A 76 -0.448 -8.713 2.533 1.00 0.00 H new ATOM 0 HA TYR A 76 0.880 -9.259 -0.049 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.678 -6.869 0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.146 -6.921 -0.568 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.539 -8.793 -2.222 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.873 -7.767 1.192 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.491 -9.887 -3.233 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.829 -8.857 0.180 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.637 -9.975 -1.545 1.00 0.00 H new ATOM 1253 N SER A 77 2.927 -7.920 0.293 1.00 0.00 N ATOM 1254 CA SER A 77 4.217 -7.330 0.618 1.00 0.00 C ATOM 1255 C SER A 77 4.784 -6.567 -0.570 1.00 0.00 C ATOM 1256 O SER A 77 4.547 -6.924 -1.724 1.00 0.00 O ATOM 1257 CB SER A 77 5.201 -8.417 1.055 1.00 0.00 C ATOM 1258 OG SER A 77 4.725 -9.106 2.199 1.00 0.00 O ATOM 0 H SER A 77 2.866 -8.345 -0.632 1.00 0.00 H new ATOM 0 HA SER A 77 4.069 -6.628 1.439 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.354 -9.123 0.239 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.170 -7.968 1.274 1.00 0.00 H new ATOM 0 HG SER A 77 5.371 -9.796 2.457 1.00 0.00 H new ATOM 1264 N LEU A 78 5.534 -5.514 -0.273 1.00 0.00 N ATOM 1265 CA LEU A 78 6.146 -4.691 -1.306 1.00 0.00 C ATOM 1266 C LEU A 78 7.416 -5.334 -1.848 1.00 0.00 C ATOM 1267 O LEU A 78 8.332 -5.654 -1.088 1.00 0.00 O ATOM 1268 CB LEU A 78 6.495 -3.309 -0.752 1.00 0.00 C ATOM 1269 CG LEU A 78 5.331 -2.338 -0.564 1.00 0.00 C ATOM 1270 CD1 LEU A 78 5.867 -0.949 -0.274 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.436 -2.310 -1.792 1.00 0.00 C ATOM 0 H LEU A 78 5.733 -5.209 0.680 1.00 0.00 H new ATOM 0 HA LEU A 78 5.421 -4.596 -2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.988 -3.442 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.221 -2.846 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 78 4.731 -2.678 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.034 -0.258 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.468 -0.973 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.484 -0.616 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.616 -1.610 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.017 -1.993 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.032 -3.307 -1.971 1.00 0.00 H new ATOM 1283 N THR A 79 7.471 -5.521 -3.161 1.00 0.00 N ATOM 1284 CA THR A 79 8.650 -6.094 -3.790 1.00 0.00 C ATOM 1285 C THR A 79 9.586 -4.958 -4.221 1.00 0.00 C ATOM 1286 O THR A 79 9.266 -3.797 -3.993 1.00 0.00 O ATOM 1287 CB THR A 79 8.245 -6.961 -4.997 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.841 -6.844 -5.226 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.598 -8.423 -4.766 1.00 0.00 C ATOM 0 H THR A 79 6.717 -5.285 -3.806 1.00 0.00 H new ATOM 0 HA THR A 79 9.171 -6.736 -3.080 1.00 0.00 H new ATOM 0 HB THR A 79 8.795 -6.606 -5.869 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.610 -7.281 -6.072 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.300 -9.011 -5.634 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.673 -8.518 -4.615 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.073 -8.789 -3.883 1.00 0.00 H new ATOM 1297 N PRO A 80 10.751 -5.252 -4.836 1.00 0.00 N ATOM 1298 CA PRO A 80 11.690 -4.207 -5.264 1.00 0.00 C ATOM 1299 C PRO A 80 11.014 -3.026 -5.957 1.00 0.00 C ATOM 1300 O PRO A 80 11.278 -1.872 -5.623 1.00 0.00 O ATOM 1301 CB PRO A 80 12.583 -4.950 -6.250 1.00 0.00 C ATOM 1302 CG PRO A 80 12.637 -6.337 -5.717 1.00 0.00 C ATOM 1303 CD PRO A 80 11.279 -6.604 -5.125 1.00 0.00 C ATOM 0 HA PRO A 80 12.210 -3.761 -4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.169 -4.926 -7.258 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.576 -4.504 -6.302 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.865 -7.051 -6.508 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.418 -6.436 -4.963 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.638 -7.144 -5.821 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.348 -7.209 -4.221 1.00 0.00 H new ATOM 1311 N GLU A 81 10.143 -3.313 -6.914 1.00 0.00 N ATOM 1312 CA GLU A 81 9.448 -2.261 -7.643 1.00 0.00 C ATOM 1313 C GLU A 81 8.437 -1.539 -6.756 1.00 0.00 C ATOM 1314 O GLU A 81 8.427 -0.310 -6.696 1.00 0.00 O ATOM 1315 CB GLU A 81 8.749 -2.843 -8.869 1.00 0.00 C ATOM 1316 CG GLU A 81 9.695 -3.510 -9.853 1.00 0.00 C ATOM 1317 CD GLU A 81 8.980 -4.042 -11.081 1.00 0.00 C ATOM 1318 OE1 GLU A 81 8.547 -5.214 -11.054 1.00 0.00 O ATOM 1319 OE2 GLU A 81 8.854 -3.287 -12.067 1.00 0.00 O ATOM 0 H GLU A 81 9.901 -4.261 -7.203 1.00 0.00 H new ATOM 0 HA GLU A 81 10.191 -1.532 -7.965 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.007 -3.571 -8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.209 -2.046 -9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.456 -2.794 -10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.213 -4.330 -9.355 1.00 0.00 H new ATOM 1326 N GLY A 82 7.587 -2.302 -6.073 1.00 0.00 N ATOM 1327 CA GLY A 82 6.598 -1.685 -5.205 1.00 0.00 C ATOM 1328 C GLY A 82 7.241 -0.843 -4.128 1.00 0.00 C ATOM 1329 O GLY A 82 6.669 0.149 -3.681 1.00 0.00 O ATOM 0 H GLY A 82 7.564 -3.321 -6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.929 -1.064 -5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.986 -2.460 -4.743 1.00 0.00 H new ATOM 1333 N LEU A 83 8.436 -1.242 -3.712 1.00 0.00 N ATOM 1334 CA LEU A 83 9.168 -0.519 -2.686 1.00 0.00 C ATOM 1335 C LEU A 83 9.632 0.821 -3.231 1.00 0.00 C ATOM 1336 O LEU A 83 9.399 1.868 -2.626 1.00 0.00 O ATOM 1337 CB LEU A 83 10.378 -1.333 -2.221 1.00 0.00 C ATOM 1338 CG LEU A 83 10.600 -1.380 -0.706 1.00 0.00 C ATOM 1339 CD1 LEU A 83 10.726 0.021 -0.129 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.469 -2.132 -0.024 1.00 0.00 C ATOM 0 H LEU A 83 8.918 -2.065 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 83 8.506 -0.354 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.269 -2.354 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.272 -0.921 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 83 11.534 -1.910 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.883 -0.042 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.573 0.530 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.813 0.581 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.644 -2.155 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.523 -1.629 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.427 -3.152 -0.407 1.00 0.00 H new ATOM 1352 N GLU A 84 10.289 0.773 -4.382 1.00 0.00 N ATOM 1353 CA GLU A 84 10.789 1.987 -5.019 1.00 0.00 C ATOM 1354 C GLU A 84 9.651 2.956 -5.274 1.00 0.00 C ATOM 1355 O GLU A 84 9.692 4.107 -4.841 1.00 0.00 O ATOM 1356 CB GLU A 84 11.491 1.661 -6.338 1.00 0.00 C ATOM 1357 CG GLU A 84 12.761 0.849 -6.168 1.00 0.00 C ATOM 1358 CD GLU A 84 13.422 0.516 -7.491 1.00 0.00 C ATOM 1359 OE1 GLU A 84 13.094 -0.541 -8.069 1.00 0.00 O ATOM 1360 OE2 GLU A 84 14.267 1.313 -7.949 1.00 0.00 O ATOM 0 H GLU A 84 10.488 -0.087 -4.892 1.00 0.00 H new ATOM 0 HA GLU A 84 11.510 2.448 -4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.802 1.112 -6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.731 2.592 -6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.462 1.405 -5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.529 -0.075 -5.639 1.00 0.00 H new ATOM 1367 N LEU A 85 8.632 2.475 -5.974 1.00 0.00 N ATOM 1368 CA LEU A 85 7.482 3.299 -6.285 1.00 0.00 C ATOM 1369 C LEU A 85 6.855 3.843 -5.008 1.00 0.00 C ATOM 1370 O LEU A 85 6.565 5.031 -4.907 1.00 0.00 O ATOM 1371 CB LEU A 85 6.455 2.481 -7.069 1.00 0.00 C ATOM 1372 CG LEU A 85 6.154 2.990 -8.481 1.00 0.00 C ATOM 1373 CD1 LEU A 85 5.181 2.058 -9.186 1.00 0.00 C ATOM 1374 CD2 LEU A 85 5.597 4.406 -8.433 1.00 0.00 C ATOM 0 H LEU A 85 8.582 1.522 -6.334 1.00 0.00 H new ATOM 0 HA LEU A 85 7.808 4.141 -6.895 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.811 1.453 -7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.524 2.458 -6.503 1.00 0.00 H new ATOM 0 HG LEU A 85 7.086 3.008 -9.046 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.978 2.435 -10.188 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.617 1.061 -9.254 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.250 2.009 -8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.389 4.750 -9.446 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.675 4.415 -7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.327 5.068 -7.967 1.00 0.00 H new ATOM 1386 N ALA A 86 6.667 2.965 -4.026 1.00 0.00 N ATOM 1387 CA ALA A 86 6.067 3.366 -2.756 1.00 0.00 C ATOM 1388 C ALA A 86 6.814 4.541 -2.141 1.00 0.00 C ATOM 1389 O ALA A 86 6.198 5.443 -1.577 1.00 0.00 O ATOM 1390 CB ALA A 86 6.027 2.196 -1.787 1.00 0.00 C ATOM 0 H ALA A 86 6.919 1.978 -4.084 1.00 0.00 H new ATOM 0 HA ALA A 86 5.044 3.684 -2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.576 2.517 -0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.435 1.388 -2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.041 1.843 -1.601 1.00 0.00 H new ATOM 1396 N GLN A 87 8.140 4.525 -2.238 1.00 0.00 N ATOM 1397 CA GLN A 87 8.941 5.618 -1.704 1.00 0.00 C ATOM 1398 C GLN A 87 8.570 6.907 -2.419 1.00 0.00 C ATOM 1399 O GLN A 87 8.562 7.988 -1.831 1.00 0.00 O ATOM 1400 CB GLN A 87 10.434 5.332 -1.879 1.00 0.00 C ATOM 1401 CG GLN A 87 10.935 4.164 -1.047 1.00 0.00 C ATOM 1402 CD GLN A 87 12.412 3.891 -1.255 1.00 0.00 C ATOM 1403 OE1 GLN A 87 12.795 3.117 -2.131 1.00 0.00 O ATOM 1404 NE2 GLN A 87 13.251 4.529 -0.445 1.00 0.00 N ATOM 0 H GLN A 87 8.676 3.776 -2.676 1.00 0.00 H new ATOM 0 HA GLN A 87 8.737 5.718 -0.638 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.635 5.130 -2.931 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.999 6.225 -1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.752 4.369 0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.365 3.271 -1.301 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.889 5.162 0.268 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.257 4.385 -0.537 1.00 0.00 H new ATOM 1413 N LYS A 88 8.264 6.766 -3.703 1.00 0.00 N ATOM 1414 CA LYS A 88 7.875 7.904 -4.522 1.00 0.00 C ATOM 1415 C LYS A 88 6.503 8.424 -4.112 1.00 0.00 C ATOM 1416 O LYS A 88 6.270 9.630 -4.060 1.00 0.00 O ATOM 1417 CB LYS A 88 7.858 7.494 -5.988 1.00 0.00 C ATOM 1418 CG LYS A 88 9.098 6.719 -6.409 1.00 0.00 C ATOM 1419 CD LYS A 88 9.035 6.291 -7.867 1.00 0.00 C ATOM 1420 CE LYS A 88 10.162 5.326 -8.212 1.00 0.00 C ATOM 1421 NZ LYS A 88 10.123 4.914 -9.642 1.00 0.00 N ATOM 0 H LYS A 88 8.278 5.874 -4.198 1.00 0.00 H new ATOM 0 HA LYS A 88 8.601 8.704 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.975 6.884 -6.178 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.768 8.387 -6.607 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.982 7.336 -6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.207 5.838 -5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.074 5.817 -8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.097 7.170 -8.509 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.121 5.796 -7.996 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.090 4.442 -7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.906 4.258 -9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.218 4.442 -9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.217 5.754 -10.248 1.00 0.00 H new ATOM 1435 N LEU A 89 5.588 7.503 -3.847 1.00 0.00 N ATOM 1436 CA LEU A 89 4.248 7.858 -3.421 1.00 0.00 C ATOM 1437 C LEU A 89 4.289 8.393 -1.998 1.00 0.00 C ATOM 1438 O LEU A 89 3.413 9.141 -1.565 1.00 0.00 O ATOM 1439 CB LEU A 89 3.346 6.628 -3.487 1.00 0.00 C ATOM 1440 CG LEU A 89 2.861 6.245 -4.888 1.00 0.00 C ATOM 1441 CD1 LEU A 89 4.027 6.012 -5.833 1.00 0.00 C ATOM 1442 CD2 LEU A 89 1.985 5.006 -4.820 1.00 0.00 C ATOM 0 H LEU A 89 5.754 6.499 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 89 3.851 8.629 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.884 5.780 -3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.476 6.802 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 89 2.274 7.076 -5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.648 5.742 -6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.621 6.923 -5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.650 5.204 -5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.647 4.744 -5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.558 4.178 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.121 5.206 -4.186 1.00 0.00 H new ATOM 1454 N ALA A 90 5.330 7.988 -1.286 1.00 0.00 N ATOM 1455 CA ALA A 90 5.514 8.387 0.107 1.00 0.00 C ATOM 1456 C ALA A 90 6.043 9.811 0.240 1.00 0.00 C ATOM 1457 O ALA A 90 5.550 10.588 1.059 1.00 0.00 O ATOM 1458 CB ALA A 90 6.446 7.408 0.800 1.00 0.00 C ATOM 0 H ALA A 90 6.065 7.381 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 90 4.536 8.368 0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.582 7.708 1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.015 6.408 0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.412 7.405 0.294 1.00 0.00 H new ATOM 1464 N GLU A 91 7.049 10.149 -0.559 1.00 0.00 N ATOM 1465 CA GLU A 91 7.633 11.486 -0.510 1.00 0.00 C ATOM 1466 C GLU A 91 6.564 12.546 -0.758 1.00 0.00 C ATOM 1467 O GLU A 91 6.611 13.635 -0.184 1.00 0.00 O ATOM 1468 CB GLU A 91 8.782 11.627 -1.506 1.00 0.00 C ATOM 1469 CG GLU A 91 8.412 11.206 -2.906 1.00 0.00 C ATOM 1470 CD GLU A 91 7.791 12.328 -3.715 1.00 0.00 C ATOM 1471 OE1 GLU A 91 8.504 13.311 -4.010 1.00 0.00 O ATOM 1472 OE2 GLU A 91 6.594 12.226 -4.056 1.00 0.00 O ATOM 0 H GLU A 91 7.475 9.523 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 91 8.043 11.638 0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.115 12.665 -1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.626 11.027 -1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.304 10.845 -3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.713 10.371 -2.856 1.00 0.00 H new ATOM 1479 N SER A 92 5.608 12.222 -1.623 1.00 0.00 N ATOM 1480 CA SER A 92 4.527 13.154 -1.920 1.00 0.00 C ATOM 1481 C SER A 92 3.739 13.497 -0.656 1.00 0.00 C ATOM 1482 O SER A 92 3.263 14.620 -0.497 1.00 0.00 O ATOM 1483 CB SER A 92 3.588 12.564 -2.974 1.00 0.00 C ATOM 1484 OG SER A 92 2.531 13.457 -3.275 1.00 0.00 O ATOM 0 H SER A 92 5.559 11.335 -2.124 1.00 0.00 H new ATOM 0 HA SER A 92 4.971 14.070 -2.311 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.149 12.342 -3.881 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.179 11.620 -2.613 1.00 0.00 H new ATOM 0 HG SER A 92 1.947 13.056 -3.952 1.00 0.00 H new ATOM 1490 N GLU A 93 3.605 12.521 0.240 1.00 0.00 N ATOM 1491 CA GLU A 93 2.879 12.736 1.482 1.00 0.00 C ATOM 1492 C GLU A 93 3.806 13.315 2.542 1.00 0.00 C ATOM 1493 O GLU A 93 3.406 13.520 3.689 1.00 0.00 O ATOM 1494 CB GLU A 93 2.307 11.412 1.984 1.00 0.00 C ATOM 1495 CG GLU A 93 1.549 10.632 0.927 1.00 0.00 C ATOM 1496 CD GLU A 93 0.258 11.309 0.511 1.00 0.00 C ATOM 1497 OE1 GLU A 93 -0.786 11.031 1.137 1.00 0.00 O ATOM 1498 OE2 GLU A 93 0.291 12.118 -0.439 1.00 0.00 O ATOM 0 H GLU A 93 3.988 11.582 0.127 1.00 0.00 H new ATOM 0 HA GLU A 93 2.067 13.438 1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.122 10.795 2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.641 11.610 2.824 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.185 10.503 0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.325 9.636 1.308 1.00 0.00 H new ATOM 1505 N GLY A 94 5.047 13.577 2.148 1.00 0.00 N ATOM 1506 CA GLY A 94 6.020 14.103 3.083 1.00 0.00 C ATOM 1507 C GLY A 94 6.570 13.008 3.972 1.00 0.00 C ATOM 1508 O GLY A 94 7.415 13.255 4.832 1.00 0.00 O ATOM 0 H GLY A 94 5.395 13.435 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.836 14.576 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.558 14.876 3.697 1.00 0.00 H new ATOM 1512 N LEU A 95 6.069 11.793 3.754 1.00 0.00 N ATOM 1513 CA LEU A 95 6.498 10.638 4.532 1.00 0.00 C ATOM 1514 C LEU A 95 6.059 10.794 5.984 1.00 0.00 C ATOM 1515 O LEU A 95 6.877 10.824 6.903 1.00 0.00 O ATOM 1516 CB LEU A 95 8.018 10.452 4.425 1.00 0.00 C ATOM 1517 CG LEU A 95 8.541 9.028 4.674 1.00 0.00 C ATOM 1518 CD1 LEU A 95 8.392 8.631 6.135 1.00 0.00 C ATOM 1519 CD2 LEU A 95 7.820 8.032 3.779 1.00 0.00 C ATOM 0 H LEU A 95 5.366 11.586 3.045 1.00 0.00 H new ATOM 0 HA LEU A 95 6.026 9.742 4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.333 10.765 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.497 11.124 5.137 1.00 0.00 H new ATOM 0 HG LEU A 95 9.603 9.016 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.771 7.619 6.278 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.959 9.322 6.759 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.340 8.667 6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.203 7.029 3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.751 8.059 3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.989 8.293 2.734 1.00 0.00 H new ATOM 1531 N SER A 96 4.751 10.927 6.168 1.00 0.00 N ATOM 1532 CA SER A 96 4.195 11.073 7.504 1.00 0.00 C ATOM 1533 C SER A 96 3.183 9.971 7.785 1.00 0.00 C ATOM 1534 O SER A 96 2.265 10.146 8.588 1.00 0.00 O ATOM 1535 CB SER A 96 3.536 12.445 7.654 1.00 0.00 C ATOM 1536 OG SER A 96 4.482 13.487 7.491 1.00 0.00 O ATOM 0 H SER A 96 4.062 10.937 5.416 1.00 0.00 H new ATOM 0 HA SER A 96 5.006 10.990 8.227 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.741 12.553 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.071 12.523 8.637 1.00 0.00 H new ATOM 0 HG SER A 96 4.035 14.353 7.590 1.00 0.00 H new ATOM 1542 N LEU A 97 3.364 8.829 7.129 1.00 0.00 N ATOM 1543 CA LEU A 97 2.455 7.710 7.324 1.00 0.00 C ATOM 1544 C LEU A 97 2.824 6.950 8.592 1.00 0.00 C ATOM 1545 O LEU A 97 2.138 7.050 9.609 1.00 0.00 O ATOM 1546 CB LEU A 97 2.490 6.767 6.117 1.00 0.00 C ATOM 1547 CG LEU A 97 2.080 7.391 4.780 1.00 0.00 C ATOM 1548 CD1 LEU A 97 3.171 8.310 4.249 1.00 0.00 C ATOM 1549 CD2 LEU A 97 1.759 6.303 3.766 1.00 0.00 C ATOM 0 H LEU A 97 4.121 8.657 6.467 1.00 0.00 H new ATOM 0 HA LEU A 97 1.443 8.102 7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.500 6.370 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.833 5.921 6.320 1.00 0.00 H new ATOM 0 HG LEU A 97 1.185 7.991 4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.854 8.740 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.354 9.110 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.088 7.739 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.469 6.761 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.639 5.678 3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.939 5.689 4.138 1.00 0.00 H new