USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 861 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 110 CYS SG : rot -67:sc= -0.949! USER MOD Set 1.2: A 114 LYS NZ :NH3+ -175:sc= -1.81 (180deg=-2.05!) USER MOD Set 2.1: A 80 CYS SG : rot -3:sc= 0.554 USER MOD Set 2.2: A 103 TYR OH : rot -22:sc= 0.0314 USER MOD Set 3.1: A 39 MET CE :methyl 151:sc= -0.19 (180deg=-0.221) USER MOD Set 3.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 30 ASN : amide:sc= -5.31! C(o=-5.3!,f=-3.4!) USER MOD Set 4.2: A 32 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 23 TYR OH : rot -7:sc= 0.365 USER MOD Set 5.2: A 46 HIS : no HD1:sc= -1.08! C(o=-0.72!,f=-11!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.29) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -16:sc= -4.06! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 78:sc= 1.19 USER MOD Single : A 25 HIS : no HD1:sc= -2.32 X(o=-2.3,f=-2.6!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -109:sc= 0.156 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 27:sc= -2.63! USER MOD Single : A 47 ASN : amide:sc= -6.68! C(o=-6.7!,f=-10!) USER MOD Single : A 57 GLN : amide:sc= -0.197 K(o=-0.2,f=-3.7!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -1.96! K(o=-2!,f=-0.83) USER MOD Single : A 62 ASN : amide:sc= -0.0909 X(o=-0.091,f=-0.043) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -6! C(o=-6!,f=-4.1!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -43:sc= -1.57! USER MOD Single : A 76 THR OG1 : rot 47:sc= 0.794 USER MOD Single : A 77 HIS : no HD1:sc= -2.3 K(o=-2.3,f=-4.8!) USER MOD Single : A 82 GLN : amide:sc=-0.00656 K(o=-0.0066,f=-1.3) USER MOD Single : A 86 THR OG1 : rot -91:sc= 0.0631 USER MOD Single : A 89 MET CE :methyl -160:sc= -2.58! (180deg=-4.68!) USER MOD Single : A 98 LYS NZ :NH3+ -159:sc= 1.95 (180deg=1.45) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 82:sc= 1.3 USER MOD Single : A 105 GLN : amide:sc= -0.688 K(o=-0.69,f=-0.023) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -12.188 -9.137 1.751 1.00 0.00 N ATOM 67 CA ILE A 8 -11.444 -8.034 1.156 1.00 0.00 C ATOM 68 C ILE A 8 -9.954 -8.352 1.082 1.00 0.00 C ATOM 69 O ILE A 8 -9.254 -7.895 0.178 1.00 0.00 O ATOM 70 CB ILE A 8 -11.639 -6.729 1.951 1.00 0.00 C ATOM 71 CG1 ILE A 8 -13.129 -6.430 2.125 1.00 0.00 C ATOM 72 CG2 ILE A 8 -10.939 -5.573 1.252 1.00 0.00 C ATOM 73 CD1 ILE A 8 -13.446 -5.643 3.377 1.00 0.00 C ATOM 0 HA ILE A 8 -11.835 -7.898 0.148 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.195 -6.853 2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.483 -5.874 1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.680 -7.370 2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.086 -4.658 1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.873 -5.786 1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.356 -5.446 0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.520 -5.468 3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.123 -6.206 4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.924 -4.687 3.348 1.00 0.00 H new ATOM 85 N LYS A 9 -9.475 -9.141 2.037 1.00 0.00 N ATOM 86 CA LYS A 9 -8.069 -9.525 2.080 1.00 0.00 C ATOM 87 C LYS A 9 -7.595 -10.006 0.712 1.00 0.00 C ATOM 88 O LYS A 9 -6.400 -9.984 0.417 1.00 0.00 O ATOM 89 CB LYS A 9 -7.851 -10.624 3.123 1.00 0.00 C ATOM 90 CG LYS A 9 -6.426 -10.693 3.644 1.00 0.00 C ATOM 91 CD LYS A 9 -6.167 -11.992 4.389 1.00 0.00 C ATOM 92 CE LYS A 9 -4.795 -11.993 5.046 1.00 0.00 C ATOM 93 NZ LYS A 9 -3.747 -12.541 4.141 1.00 0.00 N ATOM 0 H LYS A 9 -10.040 -9.528 2.793 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.486 -8.647 2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.528 -10.458 3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.116 -11.586 2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.728 -10.605 2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.239 -9.849 4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.935 -12.137 5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.241 -12.831 3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.530 -10.976 5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.831 -12.585 5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.827 -12.525 4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.986 -13.520 3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.695 -11.961 3.279 1.00 0.00 H new ATOM 107 N GLN A 10 -8.539 -10.439 -0.118 1.00 0.00 N ATOM 108 CA GLN A 10 -8.216 -10.924 -1.455 1.00 0.00 C ATOM 109 C GLN A 10 -8.166 -9.773 -2.454 1.00 0.00 C ATOM 110 O GLN A 10 -7.091 -9.364 -2.892 1.00 0.00 O ATOM 111 CB GLN A 10 -9.244 -11.963 -1.905 1.00 0.00 C ATOM 112 CG GLN A 10 -8.950 -12.556 -3.274 1.00 0.00 C ATOM 113 CD GLN A 10 -7.723 -13.446 -3.273 1.00 0.00 C ATOM 114 OE1 GLN A 10 -7.831 -14.671 -3.341 1.00 0.00 O ATOM 115 NE2 GLN A 10 -6.547 -12.834 -3.197 1.00 0.00 N ATOM 0 H GLN A 10 -9.533 -10.464 0.112 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.232 -11.391 -1.418 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.281 -12.767 -1.170 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.231 -11.501 -1.923 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -9.812 -13.133 -3.609 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.808 -11.749 -3.993 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.504 -11.816 -3.142 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.686 -13.382 -3.193 1.00 0.00 H new ATOM 124 N MET A 11 -9.337 -9.256 -2.812 1.00 0.00 N ATOM 125 CA MET A 11 -9.427 -8.152 -3.760 1.00 0.00 C ATOM 126 C MET A 11 -8.276 -7.170 -3.562 1.00 0.00 C ATOM 127 O MET A 11 -7.773 -6.586 -4.522 1.00 0.00 O ATOM 128 CB MET A 11 -10.765 -7.425 -3.605 1.00 0.00 C ATOM 129 CG MET A 11 -10.806 -6.477 -2.418 1.00 0.00 C ATOM 130 SD MET A 11 -12.411 -5.677 -2.224 1.00 0.00 S ATOM 131 CE MET A 11 -12.047 -4.035 -2.840 1.00 0.00 C ATOM 0 H MET A 11 -10.236 -9.584 -2.460 1.00 0.00 H new ATOM 0 HA MET A 11 -9.361 -8.565 -4.767 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.972 -6.863 -4.516 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.560 -8.163 -3.498 1.00 0.00 H new ATOM 0 HG2 MET A 11 -10.567 -7.029 -1.509 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.037 -5.715 -2.540 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.944 -3.418 -2.785 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.260 -3.585 -2.235 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.715 -4.100 -3.876 1.00 0.00 H new ATOM 141 N LEU A 12 -7.864 -6.994 -2.312 1.00 0.00 N ATOM 142 CA LEU A 12 -6.772 -6.082 -1.988 1.00 0.00 C ATOM 143 C LEU A 12 -5.478 -6.521 -2.664 1.00 0.00 C ATOM 144 O LEU A 12 -4.840 -5.741 -3.373 1.00 0.00 O ATOM 145 CB LEU A 12 -6.571 -6.014 -0.473 1.00 0.00 C ATOM 146 CG LEU A 12 -7.561 -5.138 0.297 1.00 0.00 C ATOM 147 CD1 LEU A 12 -7.374 -5.312 1.796 1.00 0.00 C ATOM 148 CD2 LEU A 12 -7.398 -3.677 -0.097 1.00 0.00 C ATOM 0 H LEU A 12 -8.269 -7.470 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.036 -5.092 -2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.626 -7.027 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.563 -5.648 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.572 -5.453 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.087 -4.681 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.542 -6.355 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.359 -5.025 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.110 -3.068 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.384 -3.350 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.583 -3.565 -1.165 1.00 0.00 H new ATOM 160 N LEU A 13 -5.096 -7.774 -2.443 1.00 0.00 N ATOM 161 CA LEU A 13 -3.878 -8.319 -3.034 1.00 0.00 C ATOM 162 C LEU A 13 -3.959 -8.306 -4.557 1.00 0.00 C ATOM 163 O LEU A 13 -2.976 -8.015 -5.238 1.00 0.00 O ATOM 164 CB LEU A 13 -3.640 -9.745 -2.535 1.00 0.00 C ATOM 165 CG LEU A 13 -2.190 -10.230 -2.556 1.00 0.00 C ATOM 166 CD1 LEU A 13 -1.408 -9.622 -1.402 1.00 0.00 C ATOM 167 CD2 LEU A 13 -2.135 -11.750 -2.498 1.00 0.00 C ATOM 0 H LEU A 13 -5.612 -8.432 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.042 -7.690 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.012 -9.818 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.238 -10.425 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.731 -9.905 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.378 -9.978 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.419 -8.535 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.866 -9.916 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.095 -12.077 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.611 -12.097 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.660 -12.166 -3.358 1.00 0.00 H new ATOM 179 N ASP A 14 -5.136 -8.623 -5.084 1.00 0.00 N ATOM 180 CA ASP A 14 -5.347 -8.645 -6.527 1.00 0.00 C ATOM 181 C ASP A 14 -5.406 -7.228 -7.089 1.00 0.00 C ATOM 182 O ASP A 14 -5.093 -7.001 -8.258 1.00 0.00 O ATOM 183 CB ASP A 14 -6.636 -9.396 -6.864 1.00 0.00 C ATOM 184 CG ASP A 14 -6.487 -10.897 -6.717 1.00 0.00 C ATOM 185 OD1 ASP A 14 -5.421 -11.428 -7.094 1.00 0.00 O ATOM 186 OD2 ASP A 14 -7.437 -11.542 -6.224 1.00 0.00 O ATOM 0 H ASP A 14 -5.959 -8.868 -4.534 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.504 -9.163 -6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.437 -9.048 -6.212 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.933 -9.162 -7.886 1.00 0.00 H new ATOM 191 N TRP A 15 -5.811 -6.281 -6.251 1.00 0.00 N ATOM 192 CA TRP A 15 -5.912 -4.887 -6.665 1.00 0.00 C ATOM 193 C TRP A 15 -4.540 -4.222 -6.681 1.00 0.00 C ATOM 194 O TRP A 15 -4.112 -3.687 -7.704 1.00 0.00 O ATOM 195 CB TRP A 15 -6.852 -4.123 -5.730 1.00 0.00 C ATOM 196 CG TRP A 15 -6.805 -2.637 -5.925 1.00 0.00 C ATOM 197 CD1 TRP A 15 -7.458 -1.915 -6.883 1.00 0.00 C ATOM 198 CD2 TRP A 15 -6.064 -1.694 -5.144 1.00 0.00 C ATOM 199 NE1 TRP A 15 -7.168 -0.579 -6.744 1.00 0.00 N ATOM 200 CE2 TRP A 15 -6.315 -0.417 -5.684 1.00 0.00 C ATOM 201 CE3 TRP A 15 -5.214 -1.802 -4.040 1.00 0.00 C ATOM 202 CZ2 TRP A 15 -5.745 0.739 -5.158 1.00 0.00 C ATOM 203 CZ3 TRP A 15 -4.649 -0.654 -3.519 1.00 0.00 C ATOM 204 CH2 TRP A 15 -4.917 0.603 -4.077 1.00 0.00 C ATOM 0 H TRP A 15 -6.075 -6.453 -5.281 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.318 -4.863 -7.676 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.873 -4.471 -5.889 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.593 -4.355 -4.697 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -8.107 -2.333 -7.639 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.529 0.170 -7.334 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.002 -2.766 -3.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.949 1.709 -5.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.989 -0.727 -2.667 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.461 1.482 -3.645 1.00 0.00 H new ATOM 215 N CYS A 16 -3.856 -4.260 -5.543 1.00 0.00 N ATOM 216 CA CYS A 16 -2.532 -3.660 -5.427 1.00 0.00 C ATOM 217 C CYS A 16 -1.651 -4.053 -6.609 1.00 0.00 C ATOM 218 O CYS A 16 -1.013 -3.204 -7.230 1.00 0.00 O ATOM 219 CB CYS A 16 -1.869 -4.087 -4.117 1.00 0.00 C ATOM 220 SG CYS A 16 -1.663 -5.875 -3.942 1.00 0.00 S ATOM 0 H CYS A 16 -4.196 -4.700 -4.688 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.650 -2.576 -5.430 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.891 -3.611 -4.045 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.466 -3.717 -3.283 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.424 -6.486 -4.801 1.00 0.00 H new ATOM 226 N ARG A 17 -1.621 -5.347 -6.912 1.00 0.00 N ATOM 227 CA ARG A 17 -0.816 -5.853 -8.018 1.00 0.00 C ATOM 228 C ARG A 17 -1.153 -5.123 -9.314 1.00 0.00 C ATOM 229 O ARG A 17 -0.263 -4.659 -10.026 1.00 0.00 O ATOM 230 CB ARG A 17 -1.041 -7.356 -8.193 1.00 0.00 C ATOM 231 CG ARG A 17 -0.393 -8.200 -7.106 1.00 0.00 C ATOM 232 CD ARG A 17 -0.870 -9.643 -7.163 1.00 0.00 C ATOM 233 NE ARG A 17 -0.223 -10.392 -8.236 1.00 0.00 N ATOM 234 CZ ARG A 17 -0.665 -10.411 -9.489 1.00 0.00 C ATOM 235 NH1 ARG A 17 -1.749 -9.726 -9.824 1.00 0.00 N ATOM 236 NH2 ARG A 17 -0.021 -11.117 -10.410 1.00 0.00 N ATOM 0 H ARG A 17 -2.144 -6.063 -6.408 1.00 0.00 H new ATOM 0 HA ARG A 17 0.233 -5.674 -7.783 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.113 -7.555 -8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.648 -7.663 -9.162 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.691 -8.169 -7.217 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.625 -7.777 -6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.668 -10.129 -6.209 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.950 -9.662 -7.308 1.00 0.00 H new ATOM 0 HE ARG A 17 0.614 -10.930 -8.012 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.247 -9.182 -9.119 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.086 -9.743 -10.787 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.814 -11.645 -10.156 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.361 -11.131 -11.372 1.00 0.00 H new ATOM 250 N ALA A 18 -2.444 -5.026 -9.615 1.00 0.00 N ATOM 251 CA ALA A 18 -2.898 -4.352 -10.825 1.00 0.00 C ATOM 252 C ALA A 18 -2.258 -2.975 -10.959 1.00 0.00 C ATOM 253 O ALA A 18 -1.726 -2.626 -12.013 1.00 0.00 O ATOM 254 CB ALA A 18 -4.415 -4.233 -10.824 1.00 0.00 C ATOM 0 H ALA A 18 -3.194 -5.406 -9.037 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.591 -4.951 -11.682 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.741 -3.728 -11.733 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.858 -5.228 -10.783 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.734 -3.658 -9.955 1.00 0.00 H new ATOM 260 N LYS A 19 -2.312 -2.195 -9.885 1.00 0.00 N ATOM 261 CA LYS A 19 -1.736 -0.855 -9.882 1.00 0.00 C ATOM 262 C LYS A 19 -0.214 -0.917 -9.948 1.00 0.00 C ATOM 263 O LYS A 19 0.419 -0.147 -10.671 1.00 0.00 O ATOM 264 CB LYS A 19 -2.173 -0.093 -8.628 1.00 0.00 C ATOM 265 CG LYS A 19 -3.679 0.050 -8.497 1.00 0.00 C ATOM 266 CD LYS A 19 -4.222 1.113 -9.437 1.00 0.00 C ATOM 267 CE LYS A 19 -5.678 0.853 -9.791 1.00 0.00 C ATOM 268 NZ LYS A 19 -6.338 2.065 -10.351 1.00 0.00 N ATOM 0 H LYS A 19 -2.749 -2.468 -9.005 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.099 -0.328 -10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.787 -0.607 -7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.722 0.899 -8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.156 -0.906 -8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.933 0.308 -7.469 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.129 2.094 -8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.623 1.135 -10.348 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.736 0.041 -10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.215 0.526 -8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.329 1.847 -10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.305 2.833 -9.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.841 2.363 -11.215 1.00 0.00 H new ATOM 282 N THR A 20 0.370 -1.839 -9.188 1.00 0.00 N ATOM 283 CA THR A 20 1.818 -2.001 -9.161 1.00 0.00 C ATOM 284 C THR A 20 2.351 -2.412 -10.529 1.00 0.00 C ATOM 285 O THR A 20 3.513 -2.165 -10.852 1.00 0.00 O ATOM 286 CB THR A 20 2.246 -3.051 -8.119 1.00 0.00 C ATOM 287 OG1 THR A 20 1.650 -2.755 -6.851 1.00 0.00 O ATOM 288 CG2 THR A 20 3.761 -3.087 -7.976 1.00 0.00 C ATOM 0 H THR A 20 -0.138 -2.484 -8.583 1.00 0.00 H new ATOM 0 HA THR A 20 2.239 -1.034 -8.886 1.00 0.00 H new ATOM 0 HB THR A 20 1.906 -4.028 -8.461 1.00 0.00 H new ATOM 0 HG1 THR A 20 0.713 -3.042 -6.855 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.039 -3.836 -7.235 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.211 -3.342 -8.935 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.120 -2.109 -7.655 1.00 0.00 H new ATOM 296 N ARG A 21 1.495 -3.040 -11.328 1.00 0.00 N ATOM 297 CA ARG A 21 1.881 -3.486 -12.661 1.00 0.00 C ATOM 298 C ARG A 21 2.693 -2.412 -13.380 1.00 0.00 C ATOM 299 O ARG A 21 2.333 -1.236 -13.369 1.00 0.00 O ATOM 300 CB ARG A 21 0.640 -3.837 -13.484 1.00 0.00 C ATOM 301 CG ARG A 21 -0.052 -5.112 -13.028 1.00 0.00 C ATOM 302 CD ARG A 21 -0.917 -5.701 -14.131 1.00 0.00 C ATOM 303 NE ARG A 21 -0.114 -6.255 -15.219 1.00 0.00 N ATOM 304 CZ ARG A 21 -0.569 -6.422 -16.456 1.00 0.00 C ATOM 305 NH1 ARG A 21 -1.813 -6.079 -16.760 1.00 0.00 N ATOM 306 NH2 ARG A 21 0.222 -6.932 -17.391 1.00 0.00 N ATOM 0 H ARG A 21 0.530 -3.251 -11.075 1.00 0.00 H new ATOM 0 HA ARG A 21 2.501 -4.376 -12.553 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.068 -3.010 -13.429 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.926 -3.943 -14.530 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.696 -5.843 -12.721 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.669 -4.900 -12.154 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.553 -6.483 -13.715 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.578 -4.929 -14.525 1.00 0.00 H new ATOM 0 HE ARG A 21 0.848 -6.528 -15.018 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.423 -5.686 -16.043 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.160 -6.208 -17.710 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.180 -7.196 -17.160 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.128 -7.060 -18.341 1.00 0.00 H new ATOM 320 N GLY A 22 3.792 -2.827 -14.003 1.00 0.00 N ATOM 321 CA GLY A 22 4.638 -1.888 -14.717 1.00 0.00 C ATOM 322 C GLY A 22 5.986 -1.699 -14.050 1.00 0.00 C ATOM 323 O GLY A 22 7.018 -1.651 -14.721 1.00 0.00 O ATOM 0 H GLY A 22 4.111 -3.795 -14.026 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.787 -2.241 -15.737 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.131 -0.925 -14.784 1.00 0.00 H new ATOM 327 N TYR A 23 5.979 -1.591 -12.726 1.00 0.00 N ATOM 328 CA TYR A 23 7.210 -1.402 -11.968 1.00 0.00 C ATOM 329 C TYR A 23 7.989 -2.709 -11.859 1.00 0.00 C ATOM 330 O TYR A 23 7.505 -3.687 -11.291 1.00 0.00 O ATOM 331 CB TYR A 23 6.896 -0.865 -10.570 1.00 0.00 C ATOM 332 CG TYR A 23 6.172 0.463 -10.580 1.00 0.00 C ATOM 333 CD1 TYR A 23 6.804 1.618 -11.025 1.00 0.00 C ATOM 334 CD2 TYR A 23 4.856 0.562 -10.146 1.00 0.00 C ATOM 335 CE1 TYR A 23 6.147 2.833 -11.035 1.00 0.00 C ATOM 336 CE2 TYR A 23 4.191 1.773 -10.154 1.00 0.00 C ATOM 337 CZ TYR A 23 4.840 2.905 -10.599 1.00 0.00 C ATOM 338 OH TYR A 23 4.182 4.113 -10.609 1.00 0.00 O ATOM 0 H TYR A 23 5.134 -1.631 -12.156 1.00 0.00 H new ATOM 0 HA TYR A 23 7.826 -0.676 -12.499 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.289 -1.596 -10.037 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.827 -0.758 -10.014 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.826 1.565 -11.369 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.344 -0.322 -9.797 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.653 3.721 -11.382 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.168 1.833 -9.813 1.00 0.00 H new ATOM 0 HH TYR A 23 4.812 4.827 -10.840 1.00 0.00 H new ATOM 348 N GLU A 24 9.200 -2.716 -12.409 1.00 0.00 N ATOM 349 CA GLU A 24 10.047 -3.903 -12.374 1.00 0.00 C ATOM 350 C GLU A 24 10.677 -4.081 -10.996 1.00 0.00 C ATOM 351 O GLU A 24 10.793 -3.127 -10.226 1.00 0.00 O ATOM 352 CB GLU A 24 11.141 -3.807 -13.439 1.00 0.00 C ATOM 353 CG GLU A 24 11.883 -5.113 -13.669 1.00 0.00 C ATOM 354 CD GLU A 24 12.597 -5.150 -15.006 1.00 0.00 C ATOM 355 OE1 GLU A 24 11.930 -4.943 -16.041 1.00 0.00 O ATOM 356 OE2 GLU A 24 13.823 -5.386 -15.017 1.00 0.00 O ATOM 0 H GLU A 24 9.616 -1.914 -12.883 1.00 0.00 H new ATOM 0 HA GLU A 24 9.422 -4.771 -12.583 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.694 -3.483 -14.379 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.857 -3.039 -13.145 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.609 -5.260 -12.869 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.177 -5.942 -13.615 1.00 0.00 H new ATOM 363 N HIS A 25 11.084 -5.309 -10.692 1.00 0.00 N ATOM 364 CA HIS A 25 11.703 -5.614 -9.407 1.00 0.00 C ATOM 365 C HIS A 25 10.684 -5.512 -8.275 1.00 0.00 C ATOM 366 O HIS A 25 11.001 -5.046 -7.181 1.00 0.00 O ATOM 367 CB HIS A 25 12.872 -4.665 -9.143 1.00 0.00 C ATOM 368 CG HIS A 25 13.705 -4.388 -10.356 1.00 0.00 C ATOM 369 ND1 HIS A 25 14.239 -5.384 -11.146 1.00 0.00 N ATOM 370 CD2 HIS A 25 14.092 -3.218 -10.916 1.00 0.00 C ATOM 371 CE1 HIS A 25 14.921 -4.839 -12.137 1.00 0.00 C ATOM 372 NE2 HIS A 25 14.847 -3.525 -12.021 1.00 0.00 N ATOM 0 H HIS A 25 10.996 -6.109 -11.318 1.00 0.00 H new ATOM 0 HA HIS A 25 12.076 -6.637 -9.445 1.00 0.00 H new ATOM 0 HB2 HIS A 25 12.484 -3.723 -8.756 1.00 0.00 H new ATOM 0 HB3 HIS A 25 13.507 -5.091 -8.366 1.00 0.00 H new ATOM 0 HD2 HIS A 25 13.852 -2.227 -10.560 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.449 -5.376 -12.911 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.280 -2.849 -12.650 1.00 0.00 H new ATOM 381 N VAL A 26 9.459 -5.951 -8.547 1.00 0.00 N ATOM 382 CA VAL A 26 8.394 -5.910 -7.552 1.00 0.00 C ATOM 383 C VAL A 26 7.485 -7.128 -7.670 1.00 0.00 C ATOM 384 O VAL A 26 7.218 -7.612 -8.770 1.00 0.00 O ATOM 385 CB VAL A 26 7.545 -4.633 -7.692 1.00 0.00 C ATOM 386 CG1 VAL A 26 6.424 -4.622 -6.664 1.00 0.00 C ATOM 387 CG2 VAL A 26 8.418 -3.395 -7.555 1.00 0.00 C ATOM 0 H VAL A 26 9.180 -6.339 -9.448 1.00 0.00 H new ATOM 0 HA VAL A 26 8.874 -5.912 -6.573 1.00 0.00 H new ATOM 0 HB VAL A 26 7.095 -4.624 -8.685 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.835 -3.712 -6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.783 -5.491 -6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.850 -4.655 -5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.801 -2.502 -7.657 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.898 -3.395 -6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.181 -3.400 -8.334 1.00 0.00 H new ATOM 397 N ASP A 27 7.012 -7.618 -6.530 1.00 0.00 N ATOM 398 CA ASP A 27 6.130 -8.780 -6.505 1.00 0.00 C ATOM 399 C ASP A 27 5.354 -8.844 -5.193 1.00 0.00 C ATOM 400 O ASP A 27 5.908 -9.192 -4.149 1.00 0.00 O ATOM 401 CB ASP A 27 6.938 -10.064 -6.698 1.00 0.00 C ATOM 402 CG ASP A 27 7.146 -10.402 -8.161 1.00 0.00 C ATOM 403 OD1 ASP A 27 6.181 -10.861 -8.807 1.00 0.00 O ATOM 404 OD2 ASP A 27 8.275 -10.209 -8.659 1.00 0.00 O ATOM 0 H ASP A 27 7.224 -7.229 -5.611 1.00 0.00 H new ATOM 0 HA ASP A 27 5.417 -8.683 -7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.907 -9.956 -6.211 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.425 -10.890 -6.206 1.00 0.00 H new ATOM 409 N ILE A 28 4.070 -8.507 -5.254 1.00 0.00 N ATOM 410 CA ILE A 28 3.219 -8.526 -4.071 1.00 0.00 C ATOM 411 C ILE A 28 2.548 -9.885 -3.899 1.00 0.00 C ATOM 412 O ILE A 28 1.498 -10.147 -4.485 1.00 0.00 O ATOM 413 CB ILE A 28 2.134 -7.435 -4.139 1.00 0.00 C ATOM 414 CG1 ILE A 28 2.778 -6.053 -4.267 1.00 0.00 C ATOM 415 CG2 ILE A 28 1.241 -7.498 -2.909 1.00 0.00 C ATOM 416 CD1 ILE A 28 1.803 -4.967 -4.665 1.00 0.00 C ATOM 0 H ILE A 28 3.597 -8.218 -6.110 1.00 0.00 H new ATOM 0 HA ILE A 28 3.865 -8.331 -3.215 1.00 0.00 H new ATOM 0 HB ILE A 28 1.517 -7.611 -5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.238 -5.786 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.578 -6.101 -5.006 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.479 -6.721 -2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.759 -8.475 -2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.843 -7.344 -2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.328 -4.015 -4.737 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.361 -5.211 -5.631 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.016 -4.892 -3.914 1.00 0.00 H new ATOM 428 N GLN A 29 3.160 -10.744 -3.091 1.00 0.00 N ATOM 429 CA GLN A 29 2.621 -12.075 -2.842 1.00 0.00 C ATOM 430 C GLN A 29 1.840 -12.110 -1.532 1.00 0.00 C ATOM 431 O GLN A 29 0.879 -12.865 -1.391 1.00 0.00 O ATOM 432 CB GLN A 29 3.750 -13.107 -2.803 1.00 0.00 C ATOM 433 CG GLN A 29 4.424 -13.322 -4.148 1.00 0.00 C ATOM 434 CD GLN A 29 5.758 -14.031 -4.026 1.00 0.00 C ATOM 435 OE1 GLN A 29 5.989 -14.785 -3.081 1.00 0.00 O ATOM 436 NE2 GLN A 29 6.646 -13.792 -4.984 1.00 0.00 N ATOM 0 H GLN A 29 4.030 -10.542 -2.598 1.00 0.00 H new ATOM 0 HA GLN A 29 1.940 -12.322 -3.657 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.498 -12.787 -2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.350 -14.058 -2.450 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.765 -13.905 -4.791 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.573 -12.358 -4.634 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.413 -13.160 -5.749 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.561 -14.241 -4.954 1.00 0.00 H new ATOM 445 N ASN A 30 2.260 -11.286 -0.577 1.00 0.00 N ATOM 446 CA ASN A 30 1.599 -11.223 0.722 1.00 0.00 C ATOM 447 C ASN A 30 1.999 -9.958 1.475 1.00 0.00 C ATOM 448 O ASN A 30 3.062 -9.387 1.231 1.00 0.00 O ATOM 449 CB ASN A 30 1.949 -12.458 1.556 1.00 0.00 C ATOM 450 CG ASN A 30 3.445 -12.696 1.636 1.00 0.00 C ATOM 451 OD1 ASN A 30 4.036 -12.647 2.714 1.00 0.00 O ATOM 452 ND2 ASN A 30 4.064 -12.957 0.490 1.00 0.00 N ATOM 0 H ASN A 30 3.054 -10.654 -0.678 1.00 0.00 H new ATOM 0 HA ASN A 30 0.522 -11.199 0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.548 -12.339 2.563 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.467 -13.334 1.123 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.070 -13.127 0.481 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.534 -12.988 -0.381 1.00 0.00 H new ATOM 459 N PHE A 31 1.139 -9.524 2.391 1.00 0.00 N ATOM 460 CA PHE A 31 1.402 -8.326 3.179 1.00 0.00 C ATOM 461 C PHE A 31 2.221 -8.661 4.422 1.00 0.00 C ATOM 462 O PHE A 31 1.877 -8.257 5.533 1.00 0.00 O ATOM 463 CB PHE A 31 0.086 -7.659 3.586 1.00 0.00 C ATOM 464 CG PHE A 31 -0.909 -7.561 2.465 1.00 0.00 C ATOM 465 CD1 PHE A 31 -0.781 -6.584 1.492 1.00 0.00 C ATOM 466 CD2 PHE A 31 -1.971 -8.447 2.385 1.00 0.00 C ATOM 467 CE1 PHE A 31 -1.695 -6.491 0.459 1.00 0.00 C ATOM 468 CE2 PHE A 31 -2.887 -8.359 1.354 1.00 0.00 C ATOM 469 CZ PHE A 31 -2.750 -7.379 0.390 1.00 0.00 C ATOM 0 H PHE A 31 0.254 -9.984 2.606 1.00 0.00 H new ATOM 0 HA PHE A 31 1.977 -7.635 2.563 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.358 -8.222 4.407 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.297 -6.658 3.963 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.042 -5.887 1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -2.084 -9.215 3.136 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.584 -5.724 -0.293 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.710 -9.056 1.302 1.00 0.00 H new ATOM 0 HZ PHE A 31 -3.466 -7.308 -0.415 1.00 0.00 H new ATOM 479 N SER A 32 3.306 -9.403 4.225 1.00 0.00 N ATOM 480 CA SER A 32 4.173 -9.797 5.330 1.00 0.00 C ATOM 481 C SER A 32 5.589 -9.268 5.124 1.00 0.00 C ATOM 482 O SER A 32 6.073 -8.440 5.896 1.00 0.00 O ATOM 483 CB SER A 32 4.201 -11.321 5.466 1.00 0.00 C ATOM 484 OG SER A 32 2.888 -11.850 5.538 1.00 0.00 O ATOM 0 H SER A 32 3.606 -9.743 3.311 1.00 0.00 H new ATOM 0 HA SER A 32 3.771 -9.365 6.247 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.726 -11.756 4.615 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.758 -11.599 6.360 1.00 0.00 H new ATOM 0 HG SER A 32 2.932 -12.825 5.623 1.00 0.00 H new ATOM 490 N SER A 33 6.250 -9.753 4.078 1.00 0.00 N ATOM 491 CA SER A 33 7.612 -9.333 3.771 1.00 0.00 C ATOM 492 C SER A 33 7.678 -8.660 2.404 1.00 0.00 C ATOM 493 O SER A 33 8.336 -7.633 2.237 1.00 0.00 O ATOM 494 CB SER A 33 8.559 -10.534 3.807 1.00 0.00 C ATOM 495 OG SER A 33 9.910 -10.116 3.897 1.00 0.00 O ATOM 0 H SER A 33 5.864 -10.438 3.428 1.00 0.00 H new ATOM 0 HA SER A 33 7.922 -8.612 4.527 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.314 -11.169 4.659 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.421 -11.137 2.910 1.00 0.00 H new ATOM 0 HG SER A 33 10.495 -10.902 3.920 1.00 0.00 H new ATOM 501 N SER A 34 6.992 -9.247 1.428 1.00 0.00 N ATOM 502 CA SER A 34 6.975 -8.707 0.074 1.00 0.00 C ATOM 503 C SER A 34 7.030 -7.182 0.096 1.00 0.00 C ATOM 504 O SER A 34 7.609 -6.558 -0.793 1.00 0.00 O ATOM 505 CB SER A 34 5.721 -9.172 -0.668 1.00 0.00 C ATOM 506 OG SER A 34 5.931 -10.430 -1.286 1.00 0.00 O ATOM 0 H SER A 34 6.441 -10.097 1.550 1.00 0.00 H new ATOM 0 HA SER A 34 7.857 -9.078 -0.449 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.886 -9.241 0.030 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.446 -8.434 -1.422 1.00 0.00 H new ATOM 0 HG SER A 34 5.981 -10.313 -2.258 1.00 0.00 H new ATOM 512 N TRP A 35 6.424 -6.590 1.118 1.00 0.00 N ATOM 513 CA TRP A 35 6.403 -5.138 1.257 1.00 0.00 C ATOM 514 C TRP A 35 7.630 -4.646 2.018 1.00 0.00 C ATOM 515 O TRP A 35 8.253 -3.656 1.636 1.00 0.00 O ATOM 516 CB TRP A 35 5.129 -4.692 1.976 1.00 0.00 C ATOM 517 CG TRP A 35 3.873 -5.080 1.255 1.00 0.00 C ATOM 518 CD1 TRP A 35 3.335 -6.332 1.162 1.00 0.00 C ATOM 519 CD2 TRP A 35 3.001 -4.210 0.525 1.00 0.00 C ATOM 520 NE1 TRP A 35 2.181 -6.293 0.418 1.00 0.00 N ATOM 521 CE2 TRP A 35 1.953 -5.003 0.016 1.00 0.00 C ATOM 522 CE3 TRP A 35 3.002 -2.840 0.253 1.00 0.00 C ATOM 523 CZ2 TRP A 35 0.920 -4.468 -0.748 1.00 0.00 C ATOM 524 CZ3 TRP A 35 1.976 -2.311 -0.506 1.00 0.00 C ATOM 525 CH2 TRP A 35 0.946 -3.123 -0.999 1.00 0.00 C ATOM 0 H TRP A 35 5.941 -7.092 1.863 1.00 0.00 H new ATOM 0 HA TRP A 35 6.419 -4.702 0.258 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.114 -5.125 2.976 1.00 0.00 H new ATOM 0 HB3 TRP A 35 5.149 -3.609 2.098 1.00 0.00 H new ATOM 0 HD1 TRP A 35 3.755 -7.222 1.608 1.00 0.00 H new ATOM 0 HE1 TRP A 35 1.589 -7.095 0.200 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.791 -2.206 0.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.126 -5.092 -1.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 1.968 -1.253 -0.723 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.157 -2.679 -1.588 1.00 0.00 H new ATOM 536 N SER A 36 7.970 -5.344 3.097 1.00 0.00 N ATOM 537 CA SER A 36 9.121 -4.976 3.914 1.00 0.00 C ATOM 538 C SER A 36 10.243 -4.411 3.048 1.00 0.00 C ATOM 539 O SER A 36 10.989 -3.530 3.476 1.00 0.00 O ATOM 540 CB SER A 36 9.626 -6.189 4.697 1.00 0.00 C ATOM 541 OG SER A 36 10.797 -5.871 5.430 1.00 0.00 O ATOM 0 H SER A 36 7.465 -6.167 3.426 1.00 0.00 H new ATOM 0 HA SER A 36 8.805 -4.205 4.617 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.849 -6.535 5.379 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.835 -7.009 4.009 1.00 0.00 H new ATOM 0 HG SER A 36 11.099 -6.662 5.923 1.00 0.00 H new ATOM 547 N ASP A 37 10.356 -4.925 1.828 1.00 0.00 N ATOM 548 CA ASP A 37 11.386 -4.473 0.900 1.00 0.00 C ATOM 549 C ASP A 37 11.425 -2.950 0.831 1.00 0.00 C ATOM 550 O ASP A 37 12.483 -2.338 0.972 1.00 0.00 O ATOM 551 CB ASP A 37 11.138 -5.053 -0.493 1.00 0.00 C ATOM 552 CG ASP A 37 9.969 -4.390 -1.196 1.00 0.00 C ATOM 553 OD1 ASP A 37 8.878 -4.320 -0.593 1.00 0.00 O ATOM 554 OD2 ASP A 37 10.145 -3.943 -2.349 1.00 0.00 O ATOM 0 H ASP A 37 9.747 -5.655 1.459 1.00 0.00 H new ATOM 0 HA ASP A 37 12.350 -4.827 1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.037 -4.935 -1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.949 -6.123 -0.410 1.00 0.00 H new ATOM 559 N GLY A 38 10.262 -2.342 0.613 1.00 0.00 N ATOM 560 CA GLY A 38 10.185 -0.896 0.528 1.00 0.00 C ATOM 561 C GLY A 38 9.587 -0.423 -0.782 1.00 0.00 C ATOM 562 O GLY A 38 8.496 0.146 -0.804 1.00 0.00 O ATOM 0 H GLY A 38 9.372 -2.826 0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.584 -0.518 1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.184 -0.475 0.641 1.00 0.00 H new ATOM 566 N MET A 39 10.303 -0.657 -1.877 1.00 0.00 N ATOM 567 CA MET A 39 9.835 -0.251 -3.197 1.00 0.00 C ATOM 568 C MET A 39 8.350 -0.552 -3.365 1.00 0.00 C ATOM 569 O MET A 39 7.593 0.274 -3.873 1.00 0.00 O ATOM 570 CB MET A 39 10.638 -0.963 -4.288 1.00 0.00 C ATOM 571 CG MET A 39 12.055 -0.435 -4.442 1.00 0.00 C ATOM 572 SD MET A 39 12.126 1.096 -5.392 1.00 0.00 S ATOM 573 CE MET A 39 13.201 0.609 -6.739 1.00 0.00 C ATOM 0 H MET A 39 11.209 -1.125 -1.876 1.00 0.00 H new ATOM 0 HA MET A 39 9.982 0.825 -3.291 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.679 -2.028 -4.061 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.115 -0.859 -5.239 1.00 0.00 H new ATOM 0 HG2 MET A 39 12.485 -0.266 -3.455 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.669 -1.191 -4.932 1.00 0.00 H new ATOM 0 HE1 MET A 39 12.955 1.189 -7.629 1.00 0.00 H new ATOM 0 HE2 MET A 39 14.239 0.793 -6.461 1.00 0.00 H new ATOM 0 HE3 MET A 39 13.064 -0.452 -6.948 1.00 0.00 H new ATOM 583 N ALA A 40 7.939 -1.741 -2.934 1.00 0.00 N ATOM 584 CA ALA A 40 6.544 -2.150 -3.035 1.00 0.00 C ATOM 585 C ALA A 40 5.608 -0.960 -2.850 1.00 0.00 C ATOM 586 O ALA A 40 4.924 -0.545 -3.785 1.00 0.00 O ATOM 587 CB ALA A 40 6.236 -3.231 -2.010 1.00 0.00 C ATOM 0 H ALA A 40 8.553 -2.437 -2.512 1.00 0.00 H new ATOM 0 HA ALA A 40 6.381 -2.555 -4.034 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.191 -3.527 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.874 -4.096 -2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.422 -2.846 -1.008 1.00 0.00 H new ATOM 593 N PHE A 41 5.583 -0.417 -1.637 1.00 0.00 N ATOM 594 CA PHE A 41 4.730 0.725 -1.329 1.00 0.00 C ATOM 595 C PHE A 41 4.938 1.848 -2.340 1.00 0.00 C ATOM 596 O PHE A 41 3.979 2.366 -2.915 1.00 0.00 O ATOM 597 CB PHE A 41 5.016 1.236 0.084 1.00 0.00 C ATOM 598 CG PHE A 41 4.670 0.247 1.161 1.00 0.00 C ATOM 599 CD1 PHE A 41 3.348 -0.021 1.475 1.00 0.00 C ATOM 600 CD2 PHE A 41 5.668 -0.413 1.860 1.00 0.00 C ATOM 601 CE1 PHE A 41 3.026 -0.931 2.464 1.00 0.00 C ATOM 602 CE2 PHE A 41 5.353 -1.324 2.850 1.00 0.00 C ATOM 603 CZ PHE A 41 4.030 -1.582 3.154 1.00 0.00 C ATOM 0 H PHE A 41 6.143 -0.749 -0.852 1.00 0.00 H new ATOM 0 HA PHE A 41 3.692 0.397 -1.386 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.073 1.491 0.162 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.453 2.154 0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.559 0.487 0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.704 -0.213 1.628 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.991 -1.133 2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.140 -1.834 3.386 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.781 -2.291 3.930 1.00 0.00 H new ATOM 613 N CYS A 42 6.195 2.220 -2.552 1.00 0.00 N ATOM 614 CA CYS A 42 6.530 3.283 -3.493 1.00 0.00 C ATOM 615 C CYS A 42 5.812 3.079 -4.822 1.00 0.00 C ATOM 616 O CYS A 42 5.061 3.944 -5.273 1.00 0.00 O ATOM 617 CB CYS A 42 8.042 3.335 -3.719 1.00 0.00 C ATOM 618 SG CYS A 42 8.998 3.717 -2.233 1.00 0.00 S ATOM 0 H CYS A 42 6.999 1.801 -2.085 1.00 0.00 H new ATOM 0 HA CYS A 42 6.201 4.230 -3.065 1.00 0.00 H new ATOM 0 HB2 CYS A 42 8.373 2.374 -4.114 1.00 0.00 H new ATOM 0 HB3 CYS A 42 8.259 4.084 -4.480 1.00 0.00 H new ATOM 0 HG CYS A 42 8.336 3.336 -1.181 1.00 0.00 H new ATOM 624 N ALA A 43 6.048 1.930 -5.446 1.00 0.00 N ATOM 625 CA ALA A 43 5.423 1.612 -6.724 1.00 0.00 C ATOM 626 C ALA A 43 3.908 1.762 -6.647 1.00 0.00 C ATOM 627 O ALA A 43 3.283 2.335 -7.541 1.00 0.00 O ATOM 628 CB ALA A 43 5.794 0.201 -7.157 1.00 0.00 C ATOM 0 H ALA A 43 6.668 1.204 -5.087 1.00 0.00 H new ATOM 0 HA ALA A 43 5.794 2.318 -7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.320 -0.023 -8.113 1.00 0.00 H new ATOM 0 HB2 ALA A 43 6.876 0.125 -7.262 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.452 -0.512 -6.407 1.00 0.00 H new ATOM 634 N LEU A 44 3.321 1.244 -5.574 1.00 0.00 N ATOM 635 CA LEU A 44 1.877 1.319 -5.379 1.00 0.00 C ATOM 636 C LEU A 44 1.406 2.770 -5.353 1.00 0.00 C ATOM 637 O LEU A 44 0.386 3.114 -5.950 1.00 0.00 O ATOM 638 CB LEU A 44 1.480 0.619 -4.079 1.00 0.00 C ATOM 639 CG LEU A 44 -0.013 0.609 -3.750 1.00 0.00 C ATOM 640 CD1 LEU A 44 -0.742 -0.415 -4.606 1.00 0.00 C ATOM 641 CD2 LEU A 44 -0.232 0.324 -2.272 1.00 0.00 C ATOM 0 H LEU A 44 3.823 0.767 -4.825 1.00 0.00 H new ATOM 0 HA LEU A 44 1.396 0.814 -6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.828 -0.413 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.010 1.098 -3.256 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.421 1.595 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.803 -0.408 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.614 -0.166 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.332 -1.407 -4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.300 0.321 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.191 -0.649 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.256 1.096 -1.676 1.00 0.00 H new ATOM 653 N VAL A 45 2.158 3.618 -4.658 1.00 0.00 N ATOM 654 CA VAL A 45 1.820 5.033 -4.556 1.00 0.00 C ATOM 655 C VAL A 45 2.054 5.750 -5.881 1.00 0.00 C ATOM 656 O VAL A 45 1.125 6.300 -6.473 1.00 0.00 O ATOM 657 CB VAL A 45 2.643 5.729 -3.456 1.00 0.00 C ATOM 658 CG1 VAL A 45 2.316 7.213 -3.402 1.00 0.00 C ATOM 659 CG2 VAL A 45 2.394 5.070 -2.108 1.00 0.00 C ATOM 0 H VAL A 45 3.005 3.350 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 45 0.763 5.088 -4.298 1.00 0.00 H new ATOM 0 HB VAL A 45 3.701 5.624 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.907 7.688 -2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.550 7.672 -4.362 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.256 7.344 -3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.983 5.574 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.336 5.142 -1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.684 4.021 -2.157 1.00 0.00 H new ATOM 669 N HIS A 46 3.301 5.740 -6.341 1.00 0.00 N ATOM 670 CA HIS A 46 3.657 6.390 -7.598 1.00 0.00 C ATOM 671 C HIS A 46 2.554 6.205 -8.637 1.00 0.00 C ATOM 672 O HIS A 46 2.203 7.139 -9.356 1.00 0.00 O ATOM 673 CB HIS A 46 4.975 5.828 -8.131 1.00 0.00 C ATOM 674 CG HIS A 46 5.565 6.639 -9.244 1.00 0.00 C ATOM 675 ND1 HIS A 46 5.787 6.133 -10.507 1.00 0.00 N ATOM 676 CD2 HIS A 46 5.978 7.927 -9.278 1.00 0.00 C ATOM 677 CE1 HIS A 46 6.312 7.075 -11.270 1.00 0.00 C ATOM 678 NE2 HIS A 46 6.439 8.173 -10.548 1.00 0.00 N ATOM 0 H HIS A 46 4.081 5.290 -5.863 1.00 0.00 H new ATOM 0 HA HIS A 46 3.776 7.456 -7.406 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.694 5.771 -7.313 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.811 4.809 -8.482 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.950 8.631 -8.459 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.590 6.966 -12.308 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.818 9.060 -10.880 1.00 0.00 H new ATOM 687 N ASN A 47 2.014 4.993 -8.709 1.00 0.00 N ATOM 688 CA ASN A 47 0.952 4.685 -9.661 1.00 0.00 C ATOM 689 C ASN A 47 -0.163 5.724 -9.587 1.00 0.00 C ATOM 690 O ASN A 47 -0.651 6.200 -10.612 1.00 0.00 O ATOM 691 CB ASN A 47 0.384 3.291 -9.389 1.00 0.00 C ATOM 692 CG ASN A 47 -1.079 3.177 -9.774 1.00 0.00 C ATOM 693 OD1 ASN A 47 -1.953 3.080 -8.912 1.00 0.00 O ATOM 694 ND2 ASN A 47 -1.351 3.189 -11.073 1.00 0.00 N ATOM 0 H ASN A 47 2.294 4.208 -8.120 1.00 0.00 H new ATOM 0 HA ASN A 47 1.379 4.707 -10.664 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.962 2.552 -9.944 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.498 3.055 -8.331 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -2.317 3.116 -11.392 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.594 3.271 -11.752 1.00 0.00 H new ATOM 701 N PHE A 48 -0.560 6.071 -8.367 1.00 0.00 N ATOM 702 CA PHE A 48 -1.618 7.054 -8.159 1.00 0.00 C ATOM 703 C PHE A 48 -1.106 8.467 -8.421 1.00 0.00 C ATOM 704 O PHE A 48 -1.582 9.153 -9.326 1.00 0.00 O ATOM 705 CB PHE A 48 -2.163 6.953 -6.733 1.00 0.00 C ATOM 706 CG PHE A 48 -2.175 5.551 -6.193 1.00 0.00 C ATOM 707 CD1 PHE A 48 -2.774 4.526 -6.907 1.00 0.00 C ATOM 708 CD2 PHE A 48 -1.587 5.259 -4.973 1.00 0.00 C ATOM 709 CE1 PHE A 48 -2.787 3.235 -6.412 1.00 0.00 C ATOM 710 CE2 PHE A 48 -1.597 3.970 -4.474 1.00 0.00 C ATOM 711 CZ PHE A 48 -2.197 2.957 -5.195 1.00 0.00 C ATOM 0 H PHE A 48 -0.166 5.687 -7.508 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.422 6.841 -8.864 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.560 7.581 -6.077 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.178 7.351 -6.711 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.236 4.738 -7.860 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.115 6.048 -4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.258 2.444 -6.977 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.136 3.756 -3.521 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.205 1.949 -4.808 1.00 0.00 H new ATOM 721 N PHE A 49 -0.135 8.896 -7.623 1.00 0.00 N ATOM 722 CA PHE A 49 0.441 10.228 -7.766 1.00 0.00 C ATOM 723 C PHE A 49 1.888 10.147 -8.244 1.00 0.00 C ATOM 724 O PHE A 49 2.828 10.093 -7.450 1.00 0.00 O ATOM 725 CB PHE A 49 0.372 10.983 -6.437 1.00 0.00 C ATOM 726 CG PHE A 49 -0.994 10.975 -5.813 1.00 0.00 C ATOM 727 CD1 PHE A 49 -1.912 11.968 -6.112 1.00 0.00 C ATOM 728 CD2 PHE A 49 -1.360 9.973 -4.928 1.00 0.00 C ATOM 729 CE1 PHE A 49 -3.170 11.963 -5.538 1.00 0.00 C ATOM 730 CE2 PHE A 49 -2.616 9.963 -4.352 1.00 0.00 C ATOM 731 CZ PHE A 49 -3.523 10.959 -4.658 1.00 0.00 C ATOM 0 H PHE A 49 0.270 8.340 -6.870 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.140 10.769 -8.513 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.084 10.541 -5.740 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.683 12.015 -6.598 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.642 12.755 -6.801 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.655 9.191 -4.686 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.876 12.744 -5.778 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.888 9.177 -3.663 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.506 10.952 -4.210 1.00 0.00 H new ATOM 741 N PRO A 50 2.073 10.137 -9.572 1.00 0.00 N ATOM 742 CA PRO A 50 3.402 10.063 -10.186 1.00 0.00 C ATOM 743 C PRO A 50 4.206 11.342 -9.985 1.00 0.00 C ATOM 744 O PRO A 50 5.404 11.296 -9.709 1.00 0.00 O ATOM 745 CB PRO A 50 3.095 9.852 -11.671 1.00 0.00 C ATOM 746 CG PRO A 50 1.738 10.436 -11.865 1.00 0.00 C ATOM 747 CD PRO A 50 0.998 10.200 -10.577 1.00 0.00 C ATOM 0 HA PRO A 50 4.011 9.273 -9.746 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.833 10.347 -12.302 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.111 8.794 -11.932 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.800 11.501 -12.090 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.225 9.962 -12.702 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.295 11.006 -10.364 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.422 9.275 -10.608 1.00 0.00 H new ATOM 755 N GLU A 51 3.538 12.484 -10.124 1.00 0.00 N ATOM 756 CA GLU A 51 4.193 13.776 -9.958 1.00 0.00 C ATOM 757 C GLU A 51 4.641 13.977 -8.513 1.00 0.00 C ATOM 758 O GLU A 51 5.743 14.460 -8.255 1.00 0.00 O ATOM 759 CB GLU A 51 3.251 14.907 -10.373 1.00 0.00 C ATOM 760 CG GLU A 51 2.759 14.795 -11.806 1.00 0.00 C ATOM 761 CD GLU A 51 2.287 16.123 -12.366 1.00 0.00 C ATOM 762 OE1 GLU A 51 1.378 16.732 -11.765 1.00 0.00 O ATOM 763 OE2 GLU A 51 2.827 16.553 -13.407 1.00 0.00 O ATOM 0 H GLU A 51 2.545 12.540 -10.351 1.00 0.00 H new ATOM 0 HA GLU A 51 5.074 13.793 -10.599 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.392 14.917 -9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.764 15.860 -10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.561 14.405 -12.432 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.942 14.075 -11.850 1.00 0.00 H new ATOM 770 N ALA A 52 3.778 13.602 -7.574 1.00 0.00 N ATOM 771 CA ALA A 52 4.084 13.739 -6.156 1.00 0.00 C ATOM 772 C ALA A 52 5.551 13.429 -5.879 1.00 0.00 C ATOM 773 O ALA A 52 6.224 14.160 -5.152 1.00 0.00 O ATOM 774 CB ALA A 52 3.185 12.830 -5.332 1.00 0.00 C ATOM 0 H ALA A 52 2.861 13.201 -7.771 1.00 0.00 H new ATOM 0 HA ALA A 52 3.898 14.773 -5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.425 12.943 -4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.142 13.101 -5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.343 11.794 -5.631 1.00 0.00 H new ATOM 780 N PHE A 53 6.041 12.340 -6.461 1.00 0.00 N ATOM 781 CA PHE A 53 7.429 11.932 -6.275 1.00 0.00 C ATOM 782 C PHE A 53 7.892 11.039 -7.423 1.00 0.00 C ATOM 783 O PHE A 53 7.077 10.512 -8.181 1.00 0.00 O ATOM 784 CB PHE A 53 7.592 11.195 -4.944 1.00 0.00 C ATOM 785 CG PHE A 53 7.006 9.813 -4.948 1.00 0.00 C ATOM 786 CD1 PHE A 53 5.637 9.626 -5.062 1.00 0.00 C ATOM 787 CD2 PHE A 53 7.823 8.699 -4.838 1.00 0.00 C ATOM 788 CE1 PHE A 53 5.095 8.355 -5.065 1.00 0.00 C ATOM 789 CE2 PHE A 53 7.286 7.425 -4.841 1.00 0.00 C ATOM 790 CZ PHE A 53 5.921 7.253 -4.956 1.00 0.00 C ATOM 0 H PHE A 53 5.498 11.724 -7.066 1.00 0.00 H new ATOM 0 HA PHE A 53 8.047 12.830 -6.264 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.653 11.130 -4.701 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.119 11.779 -4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.987 10.484 -5.149 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.892 8.828 -4.749 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.027 8.223 -5.152 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.934 6.565 -4.753 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.500 6.259 -4.961 1.00 0.00 H new ATOM 800 N ASP A 54 9.204 10.874 -7.544 1.00 0.00 N ATOM 801 CA ASP A 54 9.777 10.046 -8.598 1.00 0.00 C ATOM 802 C ASP A 54 10.157 8.669 -8.061 1.00 0.00 C ATOM 803 O ASP A 54 10.907 8.556 -7.091 1.00 0.00 O ATOM 804 CB ASP A 54 11.005 10.728 -9.203 1.00 0.00 C ATOM 805 CG ASP A 54 10.635 11.839 -10.166 1.00 0.00 C ATOM 806 OD1 ASP A 54 10.089 12.864 -9.708 1.00 0.00 O ATOM 807 OD2 ASP A 54 10.890 11.682 -11.379 1.00 0.00 O ATOM 0 H ASP A 54 9.891 11.303 -6.925 1.00 0.00 H new ATOM 0 HA ASP A 54 9.023 9.918 -9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.622 11.136 -8.402 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.609 9.986 -9.724 1.00 0.00 H new ATOM 812 N TYR A 55 9.636 7.627 -8.698 1.00 0.00 N ATOM 813 CA TYR A 55 9.917 6.258 -8.282 1.00 0.00 C ATOM 814 C TYR A 55 11.341 5.858 -8.656 1.00 0.00 C ATOM 815 O TYR A 55 12.171 5.589 -7.788 1.00 0.00 O ATOM 816 CB TYR A 55 8.919 5.292 -8.924 1.00 0.00 C ATOM 817 CG TYR A 55 9.358 3.846 -8.872 1.00 0.00 C ATOM 818 CD1 TYR A 55 9.211 3.097 -7.711 1.00 0.00 C ATOM 819 CD2 TYR A 55 9.919 3.229 -9.983 1.00 0.00 C ATOM 820 CE1 TYR A 55 9.610 1.775 -7.658 1.00 0.00 C ATOM 821 CE2 TYR A 55 10.320 1.908 -9.940 1.00 0.00 C ATOM 822 CZ TYR A 55 10.164 1.185 -8.776 1.00 0.00 C ATOM 823 OH TYR A 55 10.563 -0.131 -8.728 1.00 0.00 O ATOM 0 H TYR A 55 9.017 7.704 -9.505 1.00 0.00 H new ATOM 0 HA TYR A 55 9.816 6.206 -7.198 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.957 5.389 -8.421 1.00 0.00 H new ATOM 0 HB3 TYR A 55 8.766 5.579 -9.964 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.777 3.556 -6.835 1.00 0.00 H new ATOM 0 HD2 TYR A 55 10.044 3.792 -10.896 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.489 1.207 -6.747 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.753 1.444 -10.813 1.00 0.00 H new ATOM 0 HH TYR A 55 10.931 -0.393 -9.598 1.00 0.00 H new ATOM 833 N GLY A 56 11.617 5.821 -9.956 1.00 0.00 N ATOM 834 CA GLY A 56 12.941 5.454 -10.423 1.00 0.00 C ATOM 835 C GLY A 56 14.044 6.083 -9.595 1.00 0.00 C ATOM 836 O GLY A 56 15.084 5.466 -9.365 1.00 0.00 O ATOM 0 H GLY A 56 10.947 6.039 -10.694 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.044 4.369 -10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.053 5.759 -11.463 1.00 0.00 H new ATOM 840 N GLN A 57 13.817 7.314 -9.148 1.00 0.00 N ATOM 841 CA GLN A 57 14.802 8.027 -8.343 1.00 0.00 C ATOM 842 C GLN A 57 15.136 7.248 -7.075 1.00 0.00 C ATOM 843 O GLN A 57 16.292 7.194 -6.653 1.00 0.00 O ATOM 844 CB GLN A 57 14.282 9.419 -7.978 1.00 0.00 C ATOM 845 CG GLN A 57 14.438 10.438 -9.095 1.00 0.00 C ATOM 846 CD GLN A 57 14.568 11.857 -8.576 1.00 0.00 C ATOM 847 OE1 GLN A 57 13.574 12.565 -8.416 1.00 0.00 O ATOM 848 NE2 GLN A 57 15.799 12.279 -8.309 1.00 0.00 N ATOM 0 H GLN A 57 12.961 7.838 -9.329 1.00 0.00 H new ATOM 0 HA GLN A 57 15.712 8.130 -8.935 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.228 9.345 -7.709 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.812 9.776 -7.095 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.318 10.190 -9.688 1.00 0.00 H new ATOM 0 HG3 GLN A 57 13.577 10.376 -9.761 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.594 11.658 -8.457 1.00 0.00 H new ATOM 0 HE22 GLN A 57 15.949 13.224 -7.956 1.00 0.00 H new ATOM 857 N LEU A 58 14.117 6.646 -6.471 1.00 0.00 N ATOM 858 CA LEU A 58 14.302 5.869 -5.251 1.00 0.00 C ATOM 859 C LEU A 58 15.136 4.620 -5.521 1.00 0.00 C ATOM 860 O LEU A 58 15.367 4.253 -6.673 1.00 0.00 O ATOM 861 CB LEU A 58 12.946 5.473 -4.664 1.00 0.00 C ATOM 862 CG LEU A 58 11.959 6.616 -4.425 1.00 0.00 C ATOM 863 CD1 LEU A 58 10.546 6.076 -4.262 1.00 0.00 C ATOM 864 CD2 LEU A 58 12.366 7.427 -3.203 1.00 0.00 C ATOM 0 H LEU A 58 13.154 6.681 -6.807 1.00 0.00 H new ATOM 0 HA LEU A 58 14.835 6.491 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.479 4.751 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.118 4.964 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 58 11.977 7.273 -5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.857 6.904 -4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.255 5.541 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.512 5.396 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.652 8.236 -3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.378 6.781 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.360 7.846 -3.359 1.00 0.00 H new ATOM 876 N SER A 59 15.583 3.970 -4.451 1.00 0.00 N ATOM 877 CA SER A 59 16.392 2.763 -4.572 1.00 0.00 C ATOM 878 C SER A 59 15.960 1.715 -3.552 1.00 0.00 C ATOM 879 O SER A 59 15.381 2.026 -2.511 1.00 0.00 O ATOM 880 CB SER A 59 17.873 3.096 -4.383 1.00 0.00 C ATOM 881 OG SER A 59 18.411 3.709 -5.542 1.00 0.00 O ATOM 0 H SER A 59 15.398 4.259 -3.490 1.00 0.00 H new ATOM 0 HA SER A 59 16.244 2.354 -5.571 1.00 0.00 H new ATOM 0 HB2 SER A 59 17.993 3.761 -3.528 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.428 2.185 -4.159 1.00 0.00 H new ATOM 0 HG SER A 59 19.358 3.913 -5.394 1.00 0.00 H new ATOM 887 N PRO A 60 16.248 0.440 -3.856 1.00 0.00 N ATOM 888 CA PRO A 60 15.899 -0.681 -2.979 1.00 0.00 C ATOM 889 C PRO A 60 16.729 -0.696 -1.700 1.00 0.00 C ATOM 890 O PRO A 60 16.192 -0.845 -0.603 1.00 0.00 O ATOM 891 CB PRO A 60 16.212 -1.911 -3.835 1.00 0.00 C ATOM 892 CG PRO A 60 17.248 -1.447 -4.800 1.00 0.00 C ATOM 893 CD PRO A 60 16.936 -0.003 -5.080 1.00 0.00 C ATOM 0 HA PRO A 60 14.863 -0.630 -2.644 1.00 0.00 H new ATOM 0 HB2 PRO A 60 16.581 -2.735 -3.224 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.322 -2.271 -4.352 1.00 0.00 H new ATOM 0 HG2 PRO A 60 18.248 -1.556 -4.381 1.00 0.00 H new ATOM 0 HG3 PRO A 60 17.220 -2.037 -5.716 1.00 0.00 H new ATOM 0 HD2 PRO A 60 17.841 0.575 -5.264 1.00 0.00 H new ATOM 0 HD3 PRO A 60 16.302 0.108 -5.960 1.00 0.00 H new ATOM 901 N GLN A 61 18.041 -0.542 -1.849 1.00 0.00 N ATOM 902 CA GLN A 61 18.944 -0.538 -0.705 1.00 0.00 C ATOM 903 C GLN A 61 18.407 0.353 0.410 1.00 0.00 C ATOM 904 O GLN A 61 18.703 0.140 1.585 1.00 0.00 O ATOM 905 CB GLN A 61 20.335 -0.063 -1.128 1.00 0.00 C ATOM 906 CG GLN A 61 21.252 -1.189 -1.578 1.00 0.00 C ATOM 907 CD GLN A 61 20.670 -1.992 -2.724 1.00 0.00 C ATOM 908 OE1 GLN A 61 20.410 -3.188 -2.590 1.00 0.00 O ATOM 909 NE2 GLN A 61 20.464 -1.337 -3.861 1.00 0.00 N ATOM 0 H GLN A 61 18.502 -0.418 -2.751 1.00 0.00 H new ATOM 0 HA GLN A 61 19.015 -1.558 -0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 61 20.233 0.657 -1.940 1.00 0.00 H new ATOM 0 HB3 GLN A 61 20.800 0.461 -0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 61 22.212 -0.771 -1.882 1.00 0.00 H new ATOM 0 HG3 GLN A 61 21.446 -1.853 -0.736 1.00 0.00 H new ATOM 0 HE21 GLN A 61 20.694 -0.346 -3.927 1.00 0.00 H new ATOM 0 HE22 GLN A 61 20.076 -1.825 -4.668 1.00 0.00 H new ATOM 918 N ASN A 62 17.615 1.352 0.033 1.00 0.00 N ATOM 919 CA ASN A 62 17.037 2.277 1.002 1.00 0.00 C ATOM 920 C ASN A 62 15.790 1.680 1.646 1.00 0.00 C ATOM 921 O ASN A 62 14.702 1.717 1.069 1.00 0.00 O ATOM 922 CB ASN A 62 16.690 3.605 0.326 1.00 0.00 C ATOM 923 CG ASN A 62 17.840 4.592 0.368 1.00 0.00 C ATOM 924 OD1 ASN A 62 18.297 4.985 1.441 1.00 0.00 O ATOM 925 ND2 ASN A 62 18.314 4.999 -0.804 1.00 0.00 N ATOM 0 H ASN A 62 17.359 1.542 -0.936 1.00 0.00 H new ATOM 0 HA ASN A 62 17.777 2.457 1.782 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.411 3.420 -0.711 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.821 4.043 0.816 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.087 5.663 -0.839 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.905 4.647 -1.670 1.00 0.00 H new ATOM 932 N ARG A 63 15.954 1.130 2.844 1.00 0.00 N ATOM 933 CA ARG A 63 14.842 0.524 3.567 1.00 0.00 C ATOM 934 C ARG A 63 13.927 1.596 4.153 1.00 0.00 C ATOM 935 O ARG A 63 12.705 1.521 4.023 1.00 0.00 O ATOM 936 CB ARG A 63 15.364 -0.382 4.683 1.00 0.00 C ATOM 937 CG ARG A 63 15.787 -1.760 4.201 1.00 0.00 C ATOM 938 CD ARG A 63 17.100 -1.705 3.437 1.00 0.00 C ATOM 939 NE ARG A 63 17.785 -2.995 3.432 1.00 0.00 N ATOM 940 CZ ARG A 63 17.408 -4.024 2.682 1.00 0.00 C ATOM 941 NH1 ARG A 63 16.358 -3.915 1.880 1.00 0.00 N ATOM 942 NH2 ARG A 63 18.082 -5.166 2.732 1.00 0.00 N ATOM 0 H ARG A 63 16.847 1.091 3.335 1.00 0.00 H new ATOM 0 HA ARG A 63 14.266 -0.076 2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.214 0.102 5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.589 -0.494 5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.890 -2.429 5.055 1.00 0.00 H new ATOM 0 HG3 ARG A 63 15.010 -2.177 3.561 1.00 0.00 H new ATOM 0 HD2 ARG A 63 16.909 -1.392 2.411 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.749 -0.952 3.885 1.00 0.00 H new ATOM 0 HE ARG A 63 18.597 -3.112 4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 63 15.837 -3.039 1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 63 16.071 -4.707 1.305 1.00 0.00 H new ATOM 0 HH21 ARG A 63 18.891 -5.254 3.347 1.00 0.00 H new ATOM 0 HH22 ARG A 63 17.791 -5.955 2.155 1.00 0.00 H new ATOM 956 N ARG A 64 14.527 2.591 4.797 1.00 0.00 N ATOM 957 CA ARG A 64 13.766 3.676 5.405 1.00 0.00 C ATOM 958 C ARG A 64 13.117 4.550 4.335 1.00 0.00 C ATOM 959 O ARG A 64 11.893 4.661 4.271 1.00 0.00 O ATOM 960 CB ARG A 64 14.674 4.529 6.293 1.00 0.00 C ATOM 961 CG ARG A 64 15.239 3.777 7.487 1.00 0.00 C ATOM 962 CD ARG A 64 16.584 4.342 7.915 1.00 0.00 C ATOM 963 NE ARG A 64 16.440 5.414 8.897 1.00 0.00 N ATOM 964 CZ ARG A 64 17.441 6.198 9.282 1.00 0.00 C ATOM 965 NH1 ARG A 64 18.653 6.030 8.771 1.00 0.00 N ATOM 966 NH2 ARG A 64 17.231 7.151 10.180 1.00 0.00 N ATOM 0 H ARG A 64 15.538 2.669 4.911 1.00 0.00 H new ATOM 0 HA ARG A 64 12.979 3.236 6.018 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.499 4.913 5.693 1.00 0.00 H new ATOM 0 HB3 ARG A 64 14.112 5.392 6.651 1.00 0.00 H new ATOM 0 HG2 ARG A 64 14.538 3.834 8.319 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.350 2.722 7.235 1.00 0.00 H new ATOM 0 HD2 ARG A 64 17.195 3.544 8.337 1.00 0.00 H new ATOM 0 HD3 ARG A 64 17.113 4.720 7.040 1.00 0.00 H new ATOM 0 HE ARG A 64 15.520 5.569 9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 64 18.818 5.298 8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 64 19.420 6.633 9.068 1.00 0.00 H new ATOM 0 HH21 ARG A 64 16.300 7.283 10.576 1.00 0.00 H new ATOM 0 HH22 ARG A 64 18.000 7.752 10.475 1.00 0.00 H new ATOM 980 N GLN A 65 13.945 5.167 3.499 1.00 0.00 N ATOM 981 CA GLN A 65 13.451 6.031 2.434 1.00 0.00 C ATOM 982 C GLN A 65 12.258 5.396 1.727 1.00 0.00 C ATOM 983 O GLN A 65 11.176 5.980 1.668 1.00 0.00 O ATOM 984 CB GLN A 65 14.563 6.318 1.424 1.00 0.00 C ATOM 985 CG GLN A 65 14.434 7.673 0.746 1.00 0.00 C ATOM 986 CD GLN A 65 15.765 8.210 0.257 1.00 0.00 C ATOM 987 OE1 GLN A 65 16.492 8.869 1.000 1.00 0.00 O ATOM 988 NE2 GLN A 65 16.091 7.929 -0.999 1.00 0.00 N ATOM 0 H GLN A 65 14.961 5.085 3.539 1.00 0.00 H new ATOM 0 HA GLN A 65 13.127 6.970 2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 65 15.526 6.265 1.932 1.00 0.00 H new ATOM 0 HB3 GLN A 65 14.561 5.538 0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 65 13.748 7.589 -0.097 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.994 8.384 1.445 1.00 0.00 H new ATOM 0 HE21 GLN A 65 15.458 7.379 -1.579 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.975 8.263 -1.383 1.00 0.00 H new ATOM 997 N ASN A 66 12.463 4.197 1.192 1.00 0.00 N ATOM 998 CA ASN A 66 11.403 3.482 0.489 1.00 0.00 C ATOM 999 C ASN A 66 10.063 3.665 1.193 1.00 0.00 C ATOM 1000 O ASN A 66 9.049 3.956 0.557 1.00 0.00 O ATOM 1001 CB ASN A 66 11.742 1.993 0.391 1.00 0.00 C ATOM 1002 CG ASN A 66 12.811 1.711 -0.647 1.00 0.00 C ATOM 1003 OD1 ASN A 66 13.125 2.562 -1.479 1.00 0.00 O ATOM 1004 ND2 ASN A 66 13.376 0.510 -0.602 1.00 0.00 N ATOM 0 H ASN A 66 13.353 3.700 1.232 1.00 0.00 H new ATOM 0 HA ASN A 66 11.324 3.897 -0.516 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.080 1.635 1.363 1.00 0.00 H new ATOM 0 HB3 ASN A 66 10.840 1.433 0.142 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.102 0.262 -1.275 1.00 0.00 H new ATOM 0 HD22 ASN A 66 13.084 -0.165 0.105 1.00 0.00 H new ATOM 1011 N PHE A 67 10.065 3.494 2.511 1.00 0.00 N ATOM 1012 CA PHE A 67 8.849 3.639 3.303 1.00 0.00 C ATOM 1013 C PHE A 67 8.491 5.112 3.484 1.00 0.00 C ATOM 1014 O PHE A 67 7.388 5.539 3.145 1.00 0.00 O ATOM 1015 CB PHE A 67 9.022 2.973 4.670 1.00 0.00 C ATOM 1016 CG PHE A 67 8.741 1.498 4.657 1.00 0.00 C ATOM 1017 CD1 PHE A 67 9.660 0.608 4.124 1.00 0.00 C ATOM 1018 CD2 PHE A 67 7.558 1.001 5.180 1.00 0.00 C ATOM 1019 CE1 PHE A 67 9.403 -0.749 4.111 1.00 0.00 C ATOM 1020 CE2 PHE A 67 7.296 -0.356 5.169 1.00 0.00 C ATOM 1021 CZ PHE A 67 8.220 -1.233 4.635 1.00 0.00 C ATOM 0 H PHE A 67 10.895 3.255 3.053 1.00 0.00 H new ATOM 0 HA PHE A 67 8.036 3.148 2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.041 3.138 5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.358 3.455 5.387 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.588 0.980 3.714 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.833 1.682 5.601 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.127 -1.432 3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.369 -0.731 5.578 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.018 -2.294 4.627 1.00 0.00 H new ATOM 1031 N GLU A 68 9.432 5.882 4.022 1.00 0.00 N ATOM 1032 CA GLU A 68 9.215 7.305 4.249 1.00 0.00 C ATOM 1033 C GLU A 68 8.623 7.970 3.010 1.00 0.00 C ATOM 1034 O GLU A 68 7.514 8.504 3.048 1.00 0.00 O ATOM 1035 CB GLU A 68 10.530 7.990 4.630 1.00 0.00 C ATOM 1036 CG GLU A 68 11.217 7.363 5.831 1.00 0.00 C ATOM 1037 CD GLU A 68 12.076 8.353 6.594 1.00 0.00 C ATOM 1038 OE1 GLU A 68 12.482 9.371 5.997 1.00 0.00 O ATOM 1039 OE2 GLU A 68 12.342 8.108 7.790 1.00 0.00 O ATOM 0 H GLU A 68 10.351 5.544 4.308 1.00 0.00 H new ATOM 0 HA GLU A 68 8.507 7.411 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.207 7.957 3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.334 9.041 4.842 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.463 6.949 6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.837 6.531 5.497 1.00 0.00 H new ATOM 1046 N VAL A 69 9.371 7.935 1.912 1.00 0.00 N ATOM 1047 CA VAL A 69 8.921 8.533 0.661 1.00 0.00 C ATOM 1048 C VAL A 69 7.495 8.108 0.330 1.00 0.00 C ATOM 1049 O VAL A 69 6.658 8.934 -0.030 1.00 0.00 O ATOM 1050 CB VAL A 69 9.845 8.148 -0.510 1.00 0.00 C ATOM 1051 CG1 VAL A 69 9.261 8.625 -1.831 1.00 0.00 C ATOM 1052 CG2 VAL A 69 11.240 8.718 -0.297 1.00 0.00 C ATOM 0 H VAL A 69 10.292 7.499 1.864 1.00 0.00 H new ATOM 0 HA VAL A 69 8.952 9.614 0.798 1.00 0.00 H new ATOM 0 HB VAL A 69 9.923 7.061 -0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.928 8.344 -2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.285 8.164 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.151 9.709 -1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.880 8.436 -1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 69 11.183 9.805 -0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.658 8.322 0.629 1.00 0.00 H new ATOM 1062 N ALA A 70 7.226 6.812 0.455 1.00 0.00 N ATOM 1063 CA ALA A 70 5.900 6.277 0.172 1.00 0.00 C ATOM 1064 C ALA A 70 4.847 6.914 1.071 1.00 0.00 C ATOM 1065 O ALA A 70 3.754 7.255 0.618 1.00 0.00 O ATOM 1066 CB ALA A 70 5.895 4.765 0.340 1.00 0.00 C ATOM 0 H ALA A 70 7.909 6.114 0.750 1.00 0.00 H new ATOM 0 HA ALA A 70 5.651 6.518 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.899 4.378 0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.613 4.320 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.170 4.512 1.364 1.00 0.00 H new ATOM 1072 N PHE A 71 5.182 7.073 2.347 1.00 0.00 N ATOM 1073 CA PHE A 71 4.264 7.669 3.310 1.00 0.00 C ATOM 1074 C PHE A 71 4.070 9.156 3.029 1.00 0.00 C ATOM 1075 O PHE A 71 2.954 9.611 2.777 1.00 0.00 O ATOM 1076 CB PHE A 71 4.787 7.472 4.734 1.00 0.00 C ATOM 1077 CG PHE A 71 4.579 6.081 5.263 1.00 0.00 C ATOM 1078 CD1 PHE A 71 3.306 5.537 5.336 1.00 0.00 C ATOM 1079 CD2 PHE A 71 5.655 5.319 5.686 1.00 0.00 C ATOM 1080 CE1 PHE A 71 3.111 4.258 5.821 1.00 0.00 C ATOM 1081 CE2 PHE A 71 5.466 4.038 6.172 1.00 0.00 C ATOM 1082 CZ PHE A 71 4.192 3.508 6.240 1.00 0.00 C ATOM 0 H PHE A 71 6.083 6.797 2.738 1.00 0.00 H new ATOM 0 HA PHE A 71 3.300 7.170 3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.852 7.705 4.757 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.291 8.182 5.396 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.457 6.120 5.010 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.653 5.729 5.636 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.114 3.845 5.872 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.313 3.453 6.498 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.042 2.508 6.620 1.00 0.00 H new ATOM 1092 N SER A 72 5.164 9.909 3.074 1.00 0.00 N ATOM 1093 CA SER A 72 5.115 11.345 2.828 1.00 0.00 C ATOM 1094 C SER A 72 4.389 11.648 1.521 1.00 0.00 C ATOM 1095 O SER A 72 3.425 12.413 1.496 1.00 0.00 O ATOM 1096 CB SER A 72 6.530 11.926 2.786 1.00 0.00 C ATOM 1097 OG SER A 72 6.999 12.221 4.090 1.00 0.00 O ATOM 0 H SER A 72 6.096 9.548 3.279 1.00 0.00 H new ATOM 0 HA SER A 72 4.564 11.810 3.645 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.204 11.216 2.306 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.537 12.832 2.180 1.00 0.00 H new ATOM 0 HG SER A 72 7.906 12.589 4.036 1.00 0.00 H new ATOM 1103 N SER A 73 4.860 11.042 0.436 1.00 0.00 N ATOM 1104 CA SER A 73 4.260 11.249 -0.877 1.00 0.00 C ATOM 1105 C SER A 73 2.740 11.333 -0.772 1.00 0.00 C ATOM 1106 O SER A 73 2.116 12.228 -1.341 1.00 0.00 O ATOM 1107 CB SER A 73 4.655 10.117 -1.826 1.00 0.00 C ATOM 1108 OG SER A 73 4.093 8.884 -1.411 1.00 0.00 O ATOM 0 H SER A 73 5.655 10.404 0.440 1.00 0.00 H new ATOM 0 HA SER A 73 4.632 12.193 -1.275 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.319 10.351 -2.836 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.741 10.031 -1.863 1.00 0.00 H new ATOM 0 HG SER A 73 4.179 8.796 -0.439 1.00 0.00 H new ATOM 1114 N ALA A 74 2.151 10.394 -0.039 1.00 0.00 N ATOM 1115 CA ALA A 74 0.705 10.362 0.143 1.00 0.00 C ATOM 1116 C ALA A 74 0.235 11.527 1.007 1.00 0.00 C ATOM 1117 O ALA A 74 -0.507 12.393 0.544 1.00 0.00 O ATOM 1118 CB ALA A 74 0.281 9.038 0.763 1.00 0.00 C ATOM 0 H ALA A 74 2.653 9.645 0.438 1.00 0.00 H new ATOM 0 HA ALA A 74 0.237 10.459 -0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.801 9.027 0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.576 8.218 0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.765 8.919 1.733 1.00 0.00 H new ATOM 1124 N GLU A 75 0.670 11.541 2.263 1.00 0.00 N ATOM 1125 CA GLU A 75 0.291 12.600 3.190 1.00 0.00 C ATOM 1126 C GLU A 75 0.380 13.968 2.520 1.00 0.00 C ATOM 1127 O GLU A 75 -0.263 14.926 2.950 1.00 0.00 O ATOM 1128 CB GLU A 75 1.187 12.567 4.430 1.00 0.00 C ATOM 1129 CG GLU A 75 0.893 13.679 5.423 1.00 0.00 C ATOM 1130 CD GLU A 75 1.408 13.370 6.815 1.00 0.00 C ATOM 1131 OE1 GLU A 75 2.486 12.749 6.925 1.00 0.00 O ATOM 1132 OE2 GLU A 75 0.733 13.749 7.795 1.00 0.00 O ATOM 0 H GLU A 75 1.285 10.831 2.661 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.742 12.430 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.068 11.605 4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.229 12.637 4.117 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.346 14.605 5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.183 13.847 5.467 1.00 0.00 H new ATOM 1139 N THR A 76 1.183 14.051 1.464 1.00 0.00 N ATOM 1140 CA THR A 76 1.359 15.301 0.735 1.00 0.00 C ATOM 1141 C THR A 76 0.020 15.984 0.482 1.00 0.00 C ATOM 1142 O THR A 76 -0.263 17.044 1.041 1.00 0.00 O ATOM 1143 CB THR A 76 2.067 15.070 -0.614 1.00 0.00 C ATOM 1144 OG1 THR A 76 3.363 14.501 -0.395 1.00 0.00 O ATOM 1145 CG2 THR A 76 2.203 16.374 -1.384 1.00 0.00 C ATOM 0 H THR A 76 1.722 13.268 1.095 1.00 0.00 H new ATOM 0 HA THR A 76 1.980 15.945 1.358 1.00 0.00 H new ATOM 0 HB THR A 76 1.463 14.381 -1.204 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.293 13.766 0.250 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.706 16.186 -2.333 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.213 16.789 -1.574 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.788 17.083 -0.798 1.00 0.00 H new ATOM 1153 N HIS A 77 -0.802 15.370 -0.363 1.00 0.00 N ATOM 1154 CA HIS A 77 -2.113 15.918 -0.689 1.00 0.00 C ATOM 1155 C HIS A 77 -3.226 15.028 -0.143 1.00 0.00 C ATOM 1156 O HIS A 77 -4.343 15.487 0.090 1.00 0.00 O ATOM 1157 CB HIS A 77 -2.264 16.072 -2.203 1.00 0.00 C ATOM 1158 CG HIS A 77 -1.479 15.067 -2.988 1.00 0.00 C ATOM 1159 ND1 HIS A 77 -0.623 15.414 -4.012 1.00 0.00 N ATOM 1160 CD2 HIS A 77 -1.421 13.718 -2.892 1.00 0.00 C ATOM 1161 CE1 HIS A 77 -0.075 14.322 -4.514 1.00 0.00 C ATOM 1162 NE2 HIS A 77 -0.543 13.279 -3.852 1.00 0.00 N ATOM 0 H HIS A 77 -0.583 14.492 -0.834 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.194 16.899 -0.222 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.318 15.983 -2.466 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.947 17.074 -2.491 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.964 13.102 -2.191 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.635 14.288 -5.327 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.293 12.306 -4.026 1.00 0.00 H new ATOM 1171 N ALA A 78 -2.911 13.752 0.057 1.00 0.00 N ATOM 1172 CA ALA A 78 -3.883 12.798 0.576 1.00 0.00 C ATOM 1173 C ALA A 78 -3.999 12.903 2.093 1.00 0.00 C ATOM 1174 O ALA A 78 -5.031 12.561 2.672 1.00 0.00 O ATOM 1175 CB ALA A 78 -3.502 11.382 0.171 1.00 0.00 C ATOM 0 H ALA A 78 -1.990 13.356 -0.133 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.855 13.038 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.237 10.680 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.478 11.309 -0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.518 11.141 0.573 1.00 0.00 H new ATOM 1181 N ASP A 79 -2.934 13.376 2.732 1.00 0.00 N ATOM 1182 CA ASP A 79 -2.917 13.526 4.182 1.00 0.00 C ATOM 1183 C ASP A 79 -3.303 12.219 4.868 1.00 0.00 C ATOM 1184 O ASP A 79 -3.988 12.222 5.892 1.00 0.00 O ATOM 1185 CB ASP A 79 -3.869 14.643 4.613 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.413 15.336 5.882 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -2.264 15.825 5.911 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.205 15.389 6.845 1.00 0.00 O ATOM 0 H ASP A 79 -2.072 13.662 2.268 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.903 13.788 4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.950 15.377 3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.865 14.228 4.767 1.00 0.00 H new ATOM 1193 N CYS A 80 -2.860 11.104 4.298 1.00 0.00 N ATOM 1194 CA CYS A 80 -3.161 9.789 4.853 1.00 0.00 C ATOM 1195 C CYS A 80 -2.507 9.614 6.220 1.00 0.00 C ATOM 1196 O CYS A 80 -1.373 10.035 6.451 1.00 0.00 O ATOM 1197 CB CYS A 80 -2.685 8.690 3.902 1.00 0.00 C ATOM 1198 SG CYS A 80 -0.980 8.159 4.181 1.00 0.00 S ATOM 0 H CYS A 80 -2.291 11.084 3.452 1.00 0.00 H new ATOM 0 HA CYS A 80 -4.241 9.711 4.974 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.344 7.827 4.002 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.780 9.046 2.876 1.00 0.00 H new ATOM 0 HG CYS A 80 -0.446 8.887 5.117 1.00 0.00 H new ATOM 1204 N PRO A 81 -3.237 8.979 7.148 1.00 0.00 N ATOM 1205 CA PRO A 81 -2.749 8.735 8.509 1.00 0.00 C ATOM 1206 C PRO A 81 -1.627 7.703 8.545 1.00 0.00 C ATOM 1207 O PRO A 81 -1.787 6.582 8.063 1.00 0.00 O ATOM 1208 CB PRO A 81 -3.985 8.206 9.240 1.00 0.00 C ATOM 1209 CG PRO A 81 -4.835 7.614 8.168 1.00 0.00 C ATOM 1210 CD PRO A 81 -4.596 8.451 6.942 1.00 0.00 C ATOM 0 HA PRO A 81 -2.324 9.633 8.957 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.714 7.460 9.987 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.508 9.006 9.763 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.568 6.573 7.988 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.887 7.628 8.452 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.662 7.857 6.031 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.329 9.253 6.854 1.00 0.00 H new ATOM 1218 N GLN A 82 -0.492 8.089 9.119 1.00 0.00 N ATOM 1219 CA GLN A 82 0.657 7.196 9.217 1.00 0.00 C ATOM 1220 C GLN A 82 0.498 6.232 10.388 1.00 0.00 C ATOM 1221 O GLN A 82 0.914 6.527 11.510 1.00 0.00 O ATOM 1222 CB GLN A 82 1.945 8.005 9.378 1.00 0.00 C ATOM 1223 CG GLN A 82 2.311 8.817 8.147 1.00 0.00 C ATOM 1224 CD GLN A 82 3.459 9.775 8.399 1.00 0.00 C ATOM 1225 OE1 GLN A 82 3.805 10.059 9.546 1.00 0.00 O ATOM 1226 NE2 GLN A 82 4.057 10.279 7.326 1.00 0.00 N ATOM 0 H GLN A 82 -0.343 9.014 9.523 1.00 0.00 H new ATOM 0 HA GLN A 82 0.714 6.615 8.297 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.837 8.678 10.228 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.764 7.325 9.611 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.580 8.140 7.336 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.439 9.381 7.816 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.738 10.016 6.394 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.836 10.929 7.434 1.00 0.00 H new ATOM 1235 N LEU A 83 -0.106 5.079 10.121 1.00 0.00 N ATOM 1236 CA LEU A 83 -0.320 4.071 11.153 1.00 0.00 C ATOM 1237 C LEU A 83 0.965 3.300 11.436 1.00 0.00 C ATOM 1238 O LEU A 83 1.397 3.191 12.584 1.00 0.00 O ATOM 1239 CB LEU A 83 -1.425 3.103 10.726 1.00 0.00 C ATOM 1240 CG LEU A 83 -2.756 3.740 10.324 1.00 0.00 C ATOM 1241 CD1 LEU A 83 -3.713 2.685 9.791 1.00 0.00 C ATOM 1242 CD2 LEU A 83 -3.374 4.474 11.505 1.00 0.00 C ATOM 0 H LEU A 83 -0.456 4.819 9.199 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.625 4.581 12.067 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.059 2.513 9.886 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.610 2.409 11.546 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.566 4.463 9.531 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.655 3.157 9.510 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.274 2.203 8.918 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.898 1.938 10.563 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.320 4.921 11.201 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.550 3.771 12.319 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.695 5.257 11.843 1.00 0.00 H new ATOM 1254 N LEU A 84 1.574 2.767 10.382 1.00 0.00 N ATOM 1255 CA LEU A 84 2.812 2.008 10.516 1.00 0.00 C ATOM 1256 C LEU A 84 3.961 2.912 10.949 1.00 0.00 C ATOM 1257 O LEU A 84 4.085 4.044 10.479 1.00 0.00 O ATOM 1258 CB LEU A 84 3.158 1.322 9.193 1.00 0.00 C ATOM 1259 CG LEU A 84 2.048 0.480 8.563 1.00 0.00 C ATOM 1260 CD1 LEU A 84 2.285 0.316 7.070 1.00 0.00 C ATOM 1261 CD2 LEU A 84 1.956 -0.878 9.243 1.00 0.00 C ATOM 0 H LEU A 84 1.230 2.847 9.425 1.00 0.00 H new ATOM 0 HA LEU A 84 2.663 1.249 11.284 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.457 2.088 8.477 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.025 0.682 9.355 1.00 0.00 H new ATOM 0 HG LEU A 84 1.100 0.999 8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.485 -0.286 6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.298 1.296 6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.242 -0.180 6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.161 -1.463 8.781 1.00 0.00 H new ATOM 0 HD22 LEU A 84 2.904 -1.405 9.134 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.737 -0.741 10.302 1.00 0.00 H new ATOM 1273 N ASP A 85 4.801 2.405 11.845 1.00 0.00 N ATOM 1274 CA ASP A 85 5.943 3.166 12.339 1.00 0.00 C ATOM 1275 C ASP A 85 7.215 2.784 11.589 1.00 0.00 C ATOM 1276 O ASP A 85 7.961 1.903 12.018 1.00 0.00 O ATOM 1277 CB ASP A 85 6.129 2.931 13.839 1.00 0.00 C ATOM 1278 CG ASP A 85 5.106 3.675 14.673 1.00 0.00 C ATOM 1279 OD1 ASP A 85 4.046 4.042 14.124 1.00 0.00 O ATOM 1280 OD2 ASP A 85 5.364 3.891 15.876 1.00 0.00 O ATOM 0 H ASP A 85 4.713 1.470 12.244 1.00 0.00 H new ATOM 0 HA ASP A 85 5.746 4.224 12.167 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.057 1.864 14.048 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.131 3.246 14.132 1.00 0.00 H new ATOM 1285 N THR A 86 7.458 3.453 10.466 1.00 0.00 N ATOM 1286 CA THR A 86 8.638 3.183 9.655 1.00 0.00 C ATOM 1287 C THR A 86 9.827 2.794 10.527 1.00 0.00 C ATOM 1288 O THR A 86 10.497 1.795 10.268 1.00 0.00 O ATOM 1289 CB THR A 86 9.022 4.404 8.798 1.00 0.00 C ATOM 1290 OG1 THR A 86 7.875 4.884 8.088 1.00 0.00 O ATOM 1291 CG2 THR A 86 10.123 4.046 7.810 1.00 0.00 C ATOM 0 H THR A 86 6.852 4.186 10.098 1.00 0.00 H new ATOM 0 HA THR A 86 8.386 2.351 8.997 1.00 0.00 H new ATOM 0 HB THR A 86 9.391 5.186 9.462 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.821 4.441 7.216 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.378 4.923 7.216 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.005 3.708 8.355 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.776 3.250 7.151 1.00 0.00 H new ATOM 1299 N GLU A 87 10.082 3.590 11.561 1.00 0.00 N ATOM 1300 CA GLU A 87 11.191 3.327 12.471 1.00 0.00 C ATOM 1301 C GLU A 87 11.164 1.882 12.959 1.00 0.00 C ATOM 1302 O GLU A 87 12.187 1.197 12.961 1.00 0.00 O ATOM 1303 CB GLU A 87 11.136 4.282 13.665 1.00 0.00 C ATOM 1304 CG GLU A 87 9.834 4.208 14.444 1.00 0.00 C ATOM 1305 CD GLU A 87 9.714 5.304 15.485 1.00 0.00 C ATOM 1306 OE1 GLU A 87 9.817 6.491 15.113 1.00 0.00 O ATOM 1307 OE2 GLU A 87 9.516 4.973 16.673 1.00 0.00 O ATOM 0 H GLU A 87 9.536 4.421 11.789 1.00 0.00 H new ATOM 0 HA GLU A 87 12.121 3.490 11.927 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.965 4.058 14.337 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.280 5.303 13.310 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.996 4.277 13.751 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.763 3.237 14.934 1.00 0.00 H new ATOM 1314 N ASP A 88 9.987 1.425 13.372 1.00 0.00 N ATOM 1315 CA ASP A 88 9.825 0.061 13.862 1.00 0.00 C ATOM 1316 C ASP A 88 9.787 -0.931 12.704 1.00 0.00 C ATOM 1317 O ASP A 88 10.246 -2.066 12.832 1.00 0.00 O ATOM 1318 CB ASP A 88 8.546 -0.057 14.692 1.00 0.00 C ATOM 1319 CG ASP A 88 8.599 -1.208 15.677 1.00 0.00 C ATOM 1320 OD1 ASP A 88 9.718 -1.613 16.056 1.00 0.00 O ATOM 1321 OD2 ASP A 88 7.522 -1.705 16.068 1.00 0.00 O ATOM 0 H ASP A 88 9.131 1.979 13.377 1.00 0.00 H new ATOM 0 HA ASP A 88 10.682 -0.176 14.493 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.381 0.874 15.234 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.695 -0.192 14.025 1.00 0.00 H new ATOM 1326 N MET A 89 9.238 -0.496 11.575 1.00 0.00 N ATOM 1327 CA MET A 89 9.141 -1.346 10.395 1.00 0.00 C ATOM 1328 C MET A 89 10.524 -1.799 9.936 1.00 0.00 C ATOM 1329 O MET A 89 10.731 -2.971 9.620 1.00 0.00 O ATOM 1330 CB MET A 89 8.433 -0.603 9.261 1.00 0.00 C ATOM 1331 CG MET A 89 7.038 -0.122 9.627 1.00 0.00 C ATOM 1332 SD MET A 89 5.816 -1.448 9.596 1.00 0.00 S ATOM 1333 CE MET A 89 5.414 -1.496 7.851 1.00 0.00 C ATOM 0 H MET A 89 8.853 0.441 11.453 1.00 0.00 H new ATOM 0 HA MET A 89 8.558 -2.228 10.661 1.00 0.00 H new ATOM 0 HB2 MET A 89 9.038 0.254 8.966 1.00 0.00 H new ATOM 0 HB3 MET A 89 8.366 -1.260 8.394 1.00 0.00 H new ATOM 0 HG2 MET A 89 7.061 0.323 10.622 1.00 0.00 H new ATOM 0 HG3 MET A 89 6.735 0.663 8.934 1.00 0.00 H new ATOM 0 HE1 MET A 89 4.452 -1.989 7.713 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.360 -0.479 7.462 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.185 -2.049 7.315 1.00 0.00 H new ATOM 1343 N VAL A 90 11.467 -0.864 9.902 1.00 0.00 N ATOM 1344 CA VAL A 90 12.830 -1.167 9.483 1.00 0.00 C ATOM 1345 C VAL A 90 13.421 -2.301 10.313 1.00 0.00 C ATOM 1346 O VAL A 90 13.685 -3.388 9.798 1.00 0.00 O ATOM 1347 CB VAL A 90 13.742 0.069 9.601 1.00 0.00 C ATOM 1348 CG1 VAL A 90 15.206 -0.340 9.542 1.00 0.00 C ATOM 1349 CG2 VAL A 90 13.417 1.076 8.508 1.00 0.00 C ATOM 0 H VAL A 90 11.312 0.111 10.160 1.00 0.00 H new ATOM 0 HA VAL A 90 12.779 -1.473 8.438 1.00 0.00 H new ATOM 0 HB VAL A 90 13.561 0.543 10.566 1.00 0.00 H new ATOM 0 HG11 VAL A 90 15.835 0.546 9.627 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.427 -1.022 10.363 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.407 -0.838 8.593 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.070 1.943 8.606 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.569 0.615 7.532 1.00 0.00 H new ATOM 0 HG23 VAL A 90 12.378 1.392 8.602 1.00 0.00 H new ATOM 1359 N ARG A 91 13.625 -2.041 11.600 1.00 0.00 N ATOM 1360 CA ARG A 91 14.185 -3.040 12.502 1.00 0.00 C ATOM 1361 C ARG A 91 13.341 -4.311 12.498 1.00 0.00 C ATOM 1362 O ARG A 91 13.872 -5.422 12.491 1.00 0.00 O ATOM 1363 CB ARG A 91 14.277 -2.481 13.923 1.00 0.00 C ATOM 1364 CG ARG A 91 12.996 -1.817 14.400 1.00 0.00 C ATOM 1365 CD ARG A 91 13.128 -1.316 15.830 1.00 0.00 C ATOM 1366 NE ARG A 91 13.359 -2.407 16.773 1.00 0.00 N ATOM 1367 CZ ARG A 91 13.056 -2.339 18.064 1.00 0.00 C ATOM 1368 NH1 ARG A 91 12.512 -1.238 18.564 1.00 0.00 N ATOM 1369 NH2 ARG A 91 13.296 -3.374 18.859 1.00 0.00 N ATOM 0 H ARG A 91 13.411 -1.147 12.042 1.00 0.00 H new ATOM 0 HA ARG A 91 15.187 -3.288 12.151 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.533 -3.290 14.607 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.090 -1.757 13.967 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.750 -0.983 13.742 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.171 -2.527 14.337 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.951 -0.604 15.890 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.222 -0.779 16.111 1.00 0.00 H new ATOM 0 HE ARG A 91 13.776 -3.269 16.421 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.325 -0.440 17.956 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.280 -1.189 19.556 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.714 -4.223 18.479 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.063 -3.320 19.851 1.00 0.00 H new ATOM 1383 N LEU A 92 12.023 -4.139 12.503 1.00 0.00 N ATOM 1384 CA LEU A 92 11.104 -5.272 12.500 1.00 0.00 C ATOM 1385 C LEU A 92 11.372 -6.187 11.309 1.00 0.00 C ATOM 1386 O LEU A 92 11.271 -5.768 10.156 1.00 0.00 O ATOM 1387 CB LEU A 92 9.657 -4.780 12.464 1.00 0.00 C ATOM 1388 CG LEU A 92 9.064 -4.342 13.804 1.00 0.00 C ATOM 1389 CD1 LEU A 92 7.743 -3.617 13.591 1.00 0.00 C ATOM 1390 CD2 LEU A 92 8.874 -5.541 14.721 1.00 0.00 C ATOM 0 H LEU A 92 11.567 -3.226 12.509 1.00 0.00 H new ATOM 0 HA LEU A 92 11.265 -5.841 13.416 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.597 -3.941 11.771 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.034 -5.576 12.056 1.00 0.00 H new ATOM 0 HG LEU A 92 9.761 -3.653 14.280 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.335 -3.313 14.555 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.908 -2.735 12.972 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.038 -4.283 13.093 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.451 -5.210 15.670 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.197 -6.255 14.251 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.837 -6.018 14.900 1.00 0.00 H new ATOM 1402 N ARG A 93 11.711 -7.440 11.596 1.00 0.00 N ATOM 1403 CA ARG A 93 11.992 -8.415 10.549 1.00 0.00 C ATOM 1404 C ARG A 93 11.004 -8.272 9.395 1.00 0.00 C ATOM 1405 O ARG A 93 11.377 -8.390 8.228 1.00 0.00 O ATOM 1406 CB ARG A 93 11.930 -9.834 11.115 1.00 0.00 C ATOM 1407 CG ARG A 93 12.701 -10.853 10.290 1.00 0.00 C ATOM 1408 CD ARG A 93 14.172 -10.881 10.673 1.00 0.00 C ATOM 1409 NE ARG A 93 14.391 -11.548 11.954 1.00 0.00 N ATOM 1410 CZ ARG A 93 15.445 -11.320 12.730 1.00 0.00 C ATOM 1411 NH1 ARG A 93 16.370 -10.447 12.357 1.00 0.00 N ATOM 1412 NH2 ARG A 93 15.574 -11.966 13.882 1.00 0.00 N ATOM 0 H ARG A 93 11.798 -7.804 12.545 1.00 0.00 H new ATOM 0 HA ARG A 93 12.997 -8.226 10.170 1.00 0.00 H new ATOM 0 HB2 ARG A 93 12.324 -9.828 12.131 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.887 -10.145 11.179 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.267 -11.843 10.434 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.604 -10.614 9.231 1.00 0.00 H new ATOM 0 HD2 ARG A 93 14.739 -11.393 9.896 1.00 0.00 H new ATOM 0 HD3 ARG A 93 14.552 -9.861 10.726 1.00 0.00 H new ATOM 0 HE ARG A 93 13.697 -12.226 12.270 1.00 0.00 H new ATOM 0 HH11 ARG A 93 16.274 -9.948 11.472 1.00 0.00 H new ATOM 0 HH12 ARG A 93 17.178 -10.274 12.955 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.864 -12.638 14.172 1.00 0.00 H new ATOM 0 HH22 ARG A 93 16.383 -11.790 14.477 1.00 0.00 H new ATOM 1426 N GLU A 94 9.742 -8.019 9.730 1.00 0.00 N ATOM 1427 CA GLU A 94 8.701 -7.862 8.721 1.00 0.00 C ATOM 1428 C GLU A 94 7.406 -7.358 9.350 1.00 0.00 C ATOM 1429 O GLU A 94 7.034 -7.742 10.459 1.00 0.00 O ATOM 1430 CB GLU A 94 8.449 -9.191 8.005 1.00 0.00 C ATOM 1431 CG GLU A 94 7.928 -10.286 8.920 1.00 0.00 C ATOM 1432 CD GLU A 94 7.276 -11.423 8.157 1.00 0.00 C ATOM 1433 OE1 GLU A 94 7.875 -11.894 7.168 1.00 0.00 O ATOM 1434 OE2 GLU A 94 6.167 -11.842 8.550 1.00 0.00 O ATOM 0 H GLU A 94 9.416 -7.919 10.691 1.00 0.00 H new ATOM 0 HA GLU A 94 9.043 -7.125 7.994 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.732 -9.030 7.200 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.377 -9.527 7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.752 -10.679 9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 94 7.206 -9.859 9.616 1.00 0.00 H new ATOM 1441 N PRO A 95 6.702 -6.475 8.626 1.00 0.00 N ATOM 1442 CA PRO A 95 5.437 -5.898 9.092 1.00 0.00 C ATOM 1443 C PRO A 95 4.308 -6.922 9.121 1.00 0.00 C ATOM 1444 O PRO A 95 4.027 -7.579 8.118 1.00 0.00 O ATOM 1445 CB PRO A 95 5.143 -4.807 8.059 1.00 0.00 C ATOM 1446 CG PRO A 95 5.852 -5.252 6.826 1.00 0.00 C ATOM 1447 CD PRO A 95 7.086 -5.973 7.296 1.00 0.00 C ATOM 0 HA PRO A 95 5.510 -5.528 10.115 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.072 -4.705 7.885 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.505 -3.835 8.395 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.220 -5.909 6.228 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.113 -4.401 6.197 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.357 -6.786 6.623 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.945 -5.305 7.351 1.00 0.00 H new ATOM 1455 N ASP A 96 3.666 -7.054 10.276 1.00 0.00 N ATOM 1456 CA ASP A 96 2.566 -7.998 10.435 1.00 0.00 C ATOM 1457 C ASP A 96 1.410 -7.648 9.504 1.00 0.00 C ATOM 1458 O ASP A 96 0.947 -6.508 9.475 1.00 0.00 O ATOM 1459 CB ASP A 96 2.082 -8.011 11.886 1.00 0.00 C ATOM 1460 CG ASP A 96 2.930 -8.902 12.772 1.00 0.00 C ATOM 1461 OD1 ASP A 96 3.474 -9.903 12.260 1.00 0.00 O ATOM 1462 OD2 ASP A 96 3.052 -8.597 13.977 1.00 0.00 O ATOM 0 H ASP A 96 3.888 -6.520 11.116 1.00 0.00 H new ATOM 0 HA ASP A 96 2.932 -8.991 10.173 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.095 -6.995 12.279 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.047 -8.352 11.918 1.00 0.00 H new ATOM 1467 N TRP A 97 0.949 -8.635 8.744 1.00 0.00 N ATOM 1468 CA TRP A 97 -0.152 -8.431 7.810 1.00 0.00 C ATOM 1469 C TRP A 97 -1.288 -7.656 8.469 1.00 0.00 C ATOM 1470 O TRP A 97 -1.825 -6.710 7.892 1.00 0.00 O ATOM 1471 CB TRP A 97 -0.667 -9.776 7.294 1.00 0.00 C ATOM 1472 CG TRP A 97 -1.291 -10.621 8.362 1.00 0.00 C ATOM 1473 CD1 TRP A 97 -0.656 -11.516 9.176 1.00 0.00 C ATOM 1474 CD2 TRP A 97 -2.675 -10.653 8.731 1.00 0.00 C ATOM 1475 NE1 TRP A 97 -1.561 -12.101 10.028 1.00 0.00 N ATOM 1476 CE2 TRP A 97 -2.806 -11.589 9.776 1.00 0.00 C ATOM 1477 CE3 TRP A 97 -3.814 -9.982 8.282 1.00 0.00 C ATOM 1478 CZ2 TRP A 97 -4.031 -11.868 10.375 1.00 0.00 C ATOM 1479 CZ3 TRP A 97 -5.030 -10.260 8.877 1.00 0.00 C ATOM 1480 CH2 TRP A 97 -5.131 -11.196 9.915 1.00 0.00 C ATOM 0 H TRP A 97 1.321 -9.585 8.756 1.00 0.00 H new ATOM 0 HA TRP A 97 0.221 -7.847 6.969 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.399 -9.599 6.506 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.160 -10.325 6.843 1.00 0.00 H new ATOM 0 HD1 TRP A 97 0.402 -11.732 9.153 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -1.341 -12.803 10.734 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.746 -9.258 7.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -4.111 -12.589 11.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.917 -9.747 8.536 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -6.095 -11.391 10.361 1.00 0.00 H new ATOM 1491 N LYS A 98 -1.650 -8.063 9.681 1.00 0.00 N ATOM 1492 CA LYS A 98 -2.722 -7.406 10.420 1.00 0.00 C ATOM 1493 C LYS A 98 -2.575 -5.889 10.358 1.00 0.00 C ATOM 1494 O LYS A 98 -3.565 -5.164 10.254 1.00 0.00 O ATOM 1495 CB LYS A 98 -2.722 -7.869 11.878 1.00 0.00 C ATOM 1496 CG LYS A 98 -2.803 -9.378 12.037 1.00 0.00 C ATOM 1497 CD LYS A 98 -3.298 -9.767 13.420 1.00 0.00 C ATOM 1498 CE LYS A 98 -4.805 -9.603 13.539 1.00 0.00 C ATOM 1499 NZ LYS A 98 -5.539 -10.712 12.868 1.00 0.00 N ATOM 0 H LYS A 98 -1.217 -8.845 10.172 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.670 -7.681 9.957 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.816 -7.509 12.365 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.565 -7.412 12.396 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.472 -9.789 11.281 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.820 -9.816 11.865 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.026 -10.802 13.627 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.803 -9.151 14.171 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.084 -9.568 14.592 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.103 -8.652 13.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.510 -10.407 12.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.053 -10.965 11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.567 -11.540 13.496 1.00 0.00 H new ATOM 1513 N CYS A 99 -1.335 -5.416 10.421 1.00 0.00 N ATOM 1514 CA CYS A 99 -1.060 -3.984 10.371 1.00 0.00 C ATOM 1515 C CYS A 99 -1.089 -3.475 8.934 1.00 0.00 C ATOM 1516 O CYS A 99 -1.896 -2.613 8.586 1.00 0.00 O ATOM 1517 CB CYS A 99 0.299 -3.683 11.004 1.00 0.00 C ATOM 1518 SG CYS A 99 0.255 -3.517 12.804 1.00 0.00 S ATOM 0 H CYS A 99 -0.505 -6.002 10.507 1.00 0.00 H new ATOM 0 HA CYS A 99 -1.838 -3.469 10.935 1.00 0.00 H new ATOM 0 HB2 CYS A 99 0.995 -4.479 10.740 1.00 0.00 H new ATOM 0 HB3 CYS A 99 0.692 -2.761 10.574 1.00 0.00 H new ATOM 0 HG CYS A 99 1.451 -3.266 13.246 1.00 0.00 H new ATOM 1524 N VAL A 100 -0.202 -4.012 8.102 1.00 0.00 N ATOM 1525 CA VAL A 100 -0.126 -3.612 6.702 1.00 0.00 C ATOM 1526 C VAL A 100 -1.516 -3.478 6.092 1.00 0.00 C ATOM 1527 O VAL A 100 -1.918 -2.394 5.669 1.00 0.00 O ATOM 1528 CB VAL A 100 0.692 -4.621 5.874 1.00 0.00 C ATOM 1529 CG1 VAL A 100 0.730 -4.204 4.412 1.00 0.00 C ATOM 1530 CG2 VAL A 100 2.099 -4.755 6.436 1.00 0.00 C ATOM 0 H VAL A 100 0.474 -4.726 8.374 1.00 0.00 H new ATOM 0 HA VAL A 100 0.373 -2.643 6.676 1.00 0.00 H new ATOM 0 HB VAL A 100 0.207 -5.595 5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.312 -4.928 3.842 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.286 -4.164 4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.191 -3.220 4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.663 -5.472 5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.597 -3.786 6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.047 -5.104 7.467 1.00 0.00 H new ATOM 1540 N TYR A 101 -2.247 -4.587 6.051 1.00 0.00 N ATOM 1541 CA TYR A 101 -3.593 -4.595 5.490 1.00 0.00 C ATOM 1542 C TYR A 101 -4.383 -3.374 5.953 1.00 0.00 C ATOM 1543 O TYR A 101 -5.084 -2.738 5.166 1.00 0.00 O ATOM 1544 CB TYR A 101 -4.328 -5.874 5.893 1.00 0.00 C ATOM 1545 CG TYR A 101 -5.833 -5.725 5.920 1.00 0.00 C ATOM 1546 CD1 TYR A 101 -6.467 -5.076 6.972 1.00 0.00 C ATOM 1547 CD2 TYR A 101 -6.619 -6.232 4.894 1.00 0.00 C ATOM 1548 CE1 TYR A 101 -7.841 -4.938 7.002 1.00 0.00 C ATOM 1549 CE2 TYR A 101 -7.994 -6.098 4.914 1.00 0.00 C ATOM 1550 CZ TYR A 101 -8.600 -5.450 5.970 1.00 0.00 C ATOM 1551 OH TYR A 101 -9.969 -5.314 5.995 1.00 0.00 O ATOM 0 H TYR A 101 -1.930 -5.492 6.400 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.507 -4.560 4.404 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -4.063 -6.670 5.197 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.984 -6.185 6.880 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -5.875 -4.672 7.780 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.147 -6.740 4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.318 -4.432 7.828 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.591 -6.498 4.108 1.00 0.00 H new ATOM 0 HH TYR A 101 -10.354 -5.728 5.194 1.00 0.00 H new ATOM 1561 N THR A 102 -4.263 -3.052 7.237 1.00 0.00 N ATOM 1562 CA THR A 102 -4.964 -1.908 7.807 1.00 0.00 C ATOM 1563 C THR A 102 -4.627 -0.626 7.056 1.00 0.00 C ATOM 1564 O THR A 102 -5.516 0.144 6.690 1.00 0.00 O ATOM 1565 CB THR A 102 -4.620 -1.723 9.297 1.00 0.00 C ATOM 1566 OG1 THR A 102 -4.815 -2.954 10.001 1.00 0.00 O ATOM 1567 CG2 THR A 102 -5.481 -0.635 9.920 1.00 0.00 C ATOM 0 H THR A 102 -3.687 -3.568 7.902 1.00 0.00 H new ATOM 0 HA THR A 102 -6.030 -2.112 7.711 1.00 0.00 H new ATOM 0 HB THR A 102 -3.574 -1.424 9.371 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.031 -3.529 9.878 1.00 0.00 H new ATOM 0 HG21 THR A 102 -5.220 -0.522 10.972 1.00 0.00 H new ATOM 0 HG22 THR A 102 -5.308 0.308 9.401 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.532 -0.909 9.834 1.00 0.00 H new ATOM 1575 N TYR A 103 -3.337 -0.402 6.827 1.00 0.00 N ATOM 1576 CA TYR A 103 -2.882 0.790 6.120 1.00 0.00 C ATOM 1577 C TYR A 103 -3.460 0.840 4.709 1.00 0.00 C ATOM 1578 O TYR A 103 -4.202 1.760 4.364 1.00 0.00 O ATOM 1579 CB TYR A 103 -1.354 0.819 6.059 1.00 0.00 C ATOM 1580 CG TYR A 103 -0.803 1.964 5.239 1.00 0.00 C ATOM 1581 CD1 TYR A 103 -0.841 3.268 5.717 1.00 0.00 C ATOM 1582 CD2 TYR A 103 -0.243 1.741 3.987 1.00 0.00 C ATOM 1583 CE1 TYR A 103 -0.339 4.317 4.972 1.00 0.00 C ATOM 1584 CE2 TYR A 103 0.263 2.784 3.235 1.00 0.00 C ATOM 1585 CZ TYR A 103 0.212 4.070 3.732 1.00 0.00 C ATOM 1586 OH TYR A 103 0.714 5.112 2.986 1.00 0.00 O ATOM 0 H TYR A 103 -2.589 -1.030 7.121 1.00 0.00 H new ATOM 0 HA TYR A 103 -3.234 1.664 6.668 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.959 0.886 7.073 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -0.997 -0.122 5.640 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -1.271 3.465 6.688 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -0.203 0.735 3.595 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -0.378 5.325 5.358 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.696 2.594 2.264 1.00 0.00 H new ATOM 0 HH TYR A 103 0.302 5.952 3.279 1.00 0.00 H new ATOM 1596 N ILE A 104 -3.115 -0.155 3.900 1.00 0.00 N ATOM 1597 CA ILE A 104 -3.601 -0.226 2.527 1.00 0.00 C ATOM 1598 C ILE A 104 -5.060 0.206 2.437 1.00 0.00 C ATOM 1599 O ILE A 104 -5.401 1.123 1.690 1.00 0.00 O ATOM 1600 CB ILE A 104 -3.462 -1.649 1.954 1.00 0.00 C ATOM 1601 CG1 ILE A 104 -1.991 -2.070 1.927 1.00 0.00 C ATOM 1602 CG2 ILE A 104 -4.065 -1.719 0.559 1.00 0.00 C ATOM 1603 CD1 ILE A 104 -1.121 -1.171 1.076 1.00 0.00 C ATOM 0 H ILE A 104 -2.501 -0.923 4.171 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.986 0.456 1.939 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.006 -2.340 2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.605 -2.077 2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -1.920 -3.091 1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.959 -2.731 0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.122 -1.457 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.546 -1.020 -0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.092 -1.529 1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.482 -1.183 0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.161 -0.153 1.463 1.00 0.00 H new ATOM 1615 N GLN A 105 -5.917 -0.459 3.205 1.00 0.00 N ATOM 1616 CA GLN A 105 -7.340 -0.143 3.213 1.00 0.00 C ATOM 1617 C GLN A 105 -7.569 1.329 3.542 1.00 0.00 C ATOM 1618 O GLN A 105 -8.244 2.042 2.801 1.00 0.00 O ATOM 1619 CB GLN A 105 -8.075 -1.024 4.224 1.00 0.00 C ATOM 1620 CG GLN A 105 -9.553 -0.693 4.359 1.00 0.00 C ATOM 1621 CD GLN A 105 -10.375 -1.211 3.195 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -11.126 -2.177 3.332 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -10.237 -0.569 2.041 1.00 0.00 N ATOM 0 H GLN A 105 -5.650 -1.220 3.830 1.00 0.00 H new ATOM 0 HA GLN A 105 -7.735 -0.340 2.216 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -7.971 -2.068 3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.598 -0.920 5.198 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.934 -1.120 5.287 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -9.674 0.388 4.432 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -9.603 0.227 1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -10.765 -0.872 1.223 1.00 0.00 H new ATOM 1632 N GLU A 106 -7.001 1.776 4.658 1.00 0.00 N ATOM 1633 CA GLU A 106 -7.145 3.163 5.085 1.00 0.00 C ATOM 1634 C GLU A 106 -6.787 4.120 3.952 1.00 0.00 C ATOM 1635 O GLU A 106 -7.575 4.994 3.591 1.00 0.00 O ATOM 1636 CB GLU A 106 -6.259 3.439 6.301 1.00 0.00 C ATOM 1637 CG GLU A 106 -6.263 4.895 6.738 1.00 0.00 C ATOM 1638 CD GLU A 106 -7.660 5.419 7.010 1.00 0.00 C ATOM 1639 OE1 GLU A 106 -8.390 5.696 6.036 1.00 0.00 O ATOM 1640 OE2 GLU A 106 -8.022 5.552 8.198 1.00 0.00 O ATOM 0 H GLU A 106 -6.438 1.198 5.282 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.187 3.327 5.360 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.593 2.818 7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.236 3.140 6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -5.657 5.002 7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -5.795 5.504 5.965 1.00 0.00 H new ATOM 1647 N PHE A 107 -5.591 3.950 3.397 1.00 0.00 N ATOM 1648 CA PHE A 107 -5.127 4.799 2.307 1.00 0.00 C ATOM 1649 C PHE A 107 -6.064 4.704 1.106 1.00 0.00 C ATOM 1650 O PHE A 107 -6.667 5.696 0.695 1.00 0.00 O ATOM 1651 CB PHE A 107 -3.708 4.404 1.893 1.00 0.00 C ATOM 1652 CG PHE A 107 -3.122 5.293 0.834 1.00 0.00 C ATOM 1653 CD1 PHE A 107 -2.940 6.646 1.070 1.00 0.00 C ATOM 1654 CD2 PHE A 107 -2.754 4.776 -0.398 1.00 0.00 C ATOM 1655 CE1 PHE A 107 -2.402 7.468 0.097 1.00 0.00 C ATOM 1656 CE2 PHE A 107 -2.214 5.592 -1.374 1.00 0.00 C ATOM 1657 CZ PHE A 107 -2.039 6.940 -1.127 1.00 0.00 C ATOM 0 H PHE A 107 -4.926 3.232 3.685 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.121 5.830 2.661 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -3.063 4.425 2.771 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.717 3.377 1.529 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.222 7.064 2.025 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.891 3.723 -0.598 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.266 8.521 0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.929 5.176 -2.329 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.619 7.580 -1.889 1.00 0.00 H new ATOM 1667 N TYR A 108 -6.180 3.505 0.547 1.00 0.00 N ATOM 1668 CA TYR A 108 -7.040 3.280 -0.608 1.00 0.00 C ATOM 1669 C TYR A 108 -8.323 4.099 -0.500 1.00 0.00 C ATOM 1670 O TYR A 108 -8.790 4.674 -1.483 1.00 0.00 O ATOM 1671 CB TYR A 108 -7.380 1.794 -0.735 1.00 0.00 C ATOM 1672 CG TYR A 108 -8.590 1.521 -1.601 1.00 0.00 C ATOM 1673 CD1 TYR A 108 -9.875 1.744 -1.123 1.00 0.00 C ATOM 1674 CD2 TYR A 108 -8.446 1.042 -2.897 1.00 0.00 C ATOM 1675 CE1 TYR A 108 -10.983 1.496 -1.910 1.00 0.00 C ATOM 1676 CE2 TYR A 108 -9.548 0.792 -3.692 1.00 0.00 C ATOM 1677 CZ TYR A 108 -10.814 1.020 -3.194 1.00 0.00 C ATOM 1678 OH TYR A 108 -11.915 0.773 -3.982 1.00 0.00 O ATOM 0 H TYR A 108 -5.689 2.673 0.875 1.00 0.00 H new ATOM 0 HA TYR A 108 -6.500 3.600 -1.499 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -6.521 1.267 -1.150 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -7.555 1.384 0.260 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.010 2.118 -0.119 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -7.456 0.862 -3.290 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.975 1.674 -1.523 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.419 0.420 -4.698 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.623 0.443 -4.857 1.00 0.00 H new ATOM 1688 N ARG A 109 -8.887 4.147 0.703 1.00 0.00 N ATOM 1689 CA ARG A 109 -10.115 4.895 0.941 1.00 0.00 C ATOM 1690 C ARG A 109 -9.946 6.359 0.547 1.00 0.00 C ATOM 1691 O ARG A 109 -10.823 6.947 -0.087 1.00 0.00 O ATOM 1692 CB ARG A 109 -10.520 4.796 2.413 1.00 0.00 C ATOM 1693 CG ARG A 109 -11.763 5.601 2.758 1.00 0.00 C ATOM 1694 CD ARG A 109 -11.758 6.035 4.216 1.00 0.00 C ATOM 1695 NE ARG A 109 -12.931 6.838 4.552 1.00 0.00 N ATOM 1696 CZ ARG A 109 -13.119 7.402 5.739 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -12.217 7.253 6.699 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -14.212 8.119 5.968 1.00 0.00 N ATOM 0 H ARG A 109 -8.513 3.677 1.527 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.901 4.459 0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -10.694 3.750 2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.692 5.139 3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.819 6.480 2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.652 5.003 2.558 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.727 5.154 4.856 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -10.855 6.610 4.420 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.644 6.973 3.836 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.375 6.704 6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.365 7.688 7.610 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -14.908 8.237 5.232 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -14.356 8.552 6.880 1.00 0.00 H new ATOM 1712 N CYS A 110 -8.814 6.941 0.926 1.00 0.00 N ATOM 1713 CA CYS A 110 -8.530 8.337 0.613 1.00 0.00 C ATOM 1714 C CYS A 110 -8.582 8.579 -0.892 1.00 0.00 C ATOM 1715 O CYS A 110 -9.155 9.567 -1.354 1.00 0.00 O ATOM 1716 CB CYS A 110 -7.157 8.735 1.158 1.00 0.00 C ATOM 1717 SG CYS A 110 -5.787 8.390 0.030 1.00 0.00 S ATOM 0 H CYS A 110 -8.078 6.468 1.450 1.00 0.00 H new ATOM 0 HA CYS A 110 -9.294 8.952 1.088 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -7.164 9.800 1.388 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -6.983 8.207 2.096 1.00 0.00 H new ATOM 0 HG CYS A 110 -5.651 7.104 -0.107 1.00 0.00 H new ATOM 1723 N LEU A 111 -7.981 7.671 -1.653 1.00 0.00 N ATOM 1724 CA LEU A 111 -7.957 7.786 -3.107 1.00 0.00 C ATOM 1725 C LEU A 111 -9.373 7.861 -3.670 1.00 0.00 C ATOM 1726 O LEU A 111 -9.671 8.703 -4.517 1.00 0.00 O ATOM 1727 CB LEU A 111 -7.214 6.597 -3.720 1.00 0.00 C ATOM 1728 CG LEU A 111 -5.856 6.263 -3.102 1.00 0.00 C ATOM 1729 CD1 LEU A 111 -5.328 4.948 -3.653 1.00 0.00 C ATOM 1730 CD2 LEU A 111 -4.864 7.388 -3.356 1.00 0.00 C ATOM 0 H LEU A 111 -7.504 6.847 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.433 8.706 -3.366 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.852 5.717 -3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.069 6.793 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 111 -5.984 6.156 -2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.361 4.727 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.030 4.147 -3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.215 5.026 -4.734 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.903 7.133 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.739 7.528 -4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.238 8.310 -2.911 1.00 0.00 H new ATOM 1742 N VAL A 112 -10.242 6.976 -3.193 1.00 0.00 N ATOM 1743 CA VAL A 112 -11.627 6.943 -3.646 1.00 0.00 C ATOM 1744 C VAL A 112 -12.252 8.333 -3.604 1.00 0.00 C ATOM 1745 O VAL A 112 -13.007 8.712 -4.498 1.00 0.00 O ATOM 1746 CB VAL A 112 -12.476 5.985 -2.790 1.00 0.00 C ATOM 1747 CG1 VAL A 112 -13.919 5.974 -3.271 1.00 0.00 C ATOM 1748 CG2 VAL A 112 -11.885 4.583 -2.816 1.00 0.00 C ATOM 0 H VAL A 112 -10.011 6.272 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 112 -11.614 6.584 -4.675 1.00 0.00 H new ATOM 0 HB VAL A 112 -12.466 6.340 -1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -14.503 5.291 -2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -14.336 6.978 -3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.954 5.644 -4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -12.497 3.919 -2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.863 4.216 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -10.870 4.608 -2.418 1.00 0.00 H new ATOM 1758 N GLN A 113 -11.931 9.088 -2.558 1.00 0.00 N ATOM 1759 CA GLN A 113 -12.461 10.437 -2.399 1.00 0.00 C ATOM 1760 C GLN A 113 -11.948 11.358 -3.501 1.00 0.00 C ATOM 1761 O GLN A 113 -12.727 12.036 -4.171 1.00 0.00 O ATOM 1762 CB GLN A 113 -12.078 11.000 -1.029 1.00 0.00 C ATOM 1763 CG GLN A 113 -12.690 10.237 0.135 1.00 0.00 C ATOM 1764 CD GLN A 113 -14.068 10.749 0.508 1.00 0.00 C ATOM 1765 OE1 GLN A 113 -14.960 10.835 -0.336 1.00 0.00 O ATOM 1766 NE2 GLN A 113 -14.249 11.091 1.778 1.00 0.00 N ATOM 0 H GLN A 113 -11.307 8.789 -1.809 1.00 0.00 H new ATOM 0 HA GLN A 113 -13.547 10.384 -2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -10.993 10.987 -0.931 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.391 12.043 -0.974 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -12.757 9.180 -0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.032 10.313 1.000 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -13.482 11.003 2.444 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -15.156 11.441 2.088 1.00 0.00 H new ATOM 1775 N LYS A 114 -10.632 11.376 -3.685 1.00 0.00 N ATOM 1776 CA LYS A 114 -10.014 12.212 -4.707 1.00 0.00 C ATOM 1777 C LYS A 114 -10.566 11.880 -6.089 1.00 0.00 C ATOM 1778 O LYS A 114 -10.663 12.749 -6.954 1.00 0.00 O ATOM 1779 CB LYS A 114 -8.494 12.028 -4.695 1.00 0.00 C ATOM 1780 CG LYS A 114 -7.774 12.975 -3.752 1.00 0.00 C ATOM 1781 CD LYS A 114 -8.035 12.620 -2.297 1.00 0.00 C ATOM 1782 CE LYS A 114 -7.001 11.637 -1.770 1.00 0.00 C ATOM 1783 NZ LYS A 114 -6.852 11.730 -0.291 1.00 0.00 N ATOM 0 H LYS A 114 -9.973 10.821 -3.139 1.00 0.00 H new ATOM 0 HA LYS A 114 -10.250 13.252 -4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.263 11.001 -4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.111 12.174 -5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.702 12.941 -3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.101 13.997 -3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.019 13.526 -1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -9.031 12.189 -2.199 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.292 10.623 -2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.039 11.832 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -6.080 11.106 0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.633 12.711 -0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.739 11.437 0.166 1.00 0.00 H new ATOM 1797 N GLY A 115 -10.928 10.617 -6.289 1.00 0.00 N ATOM 1798 CA GLY A 115 -11.468 10.193 -7.568 1.00 0.00 C ATOM 1799 C GLY A 115 -10.439 9.479 -8.423 1.00 0.00 C ATOM 1800 O GLY A 115 -10.455 9.592 -9.650 1.00 0.00 O ATOM 0 H GLY A 115 -10.857 9.879 -5.588 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -12.318 9.532 -7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -11.843 11.063 -8.107 1.00 0.00 H new ATOM 1804 N LEU A 116 -9.542 8.744 -7.776 1.00 0.00 N ATOM 1805 CA LEU A 116 -8.500 8.010 -8.485 1.00 0.00 C ATOM 1806 C LEU A 116 -8.996 6.631 -8.907 1.00 0.00 C ATOM 1807 O LEU A 116 -8.910 6.259 -10.078 1.00 0.00 O ATOM 1808 CB LEU A 116 -7.257 7.869 -7.604 1.00 0.00 C ATOM 1809 CG LEU A 116 -6.405 9.128 -7.441 1.00 0.00 C ATOM 1810 CD1 LEU A 116 -5.319 8.906 -6.399 1.00 0.00 C ATOM 1811 CD2 LEU A 116 -5.793 9.535 -8.773 1.00 0.00 C ATOM 0 H LEU A 116 -9.515 8.640 -6.762 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.240 8.573 -9.382 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.573 7.537 -6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -6.629 7.081 -8.019 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.050 9.937 -7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.722 9.812 -6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.778 8.663 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.677 8.083 -6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.190 10.433 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.163 8.728 -9.146 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.587 9.737 -9.492 1.00 0.00 H new ATOM 1823 N VAL A 117 -9.518 5.875 -7.946 1.00 0.00 N ATOM 1824 CA VAL A 117 -10.032 4.538 -8.218 1.00 0.00 C ATOM 1825 C VAL A 117 -11.454 4.597 -8.767 1.00 0.00 C ATOM 1826 O VAL A 117 -12.350 5.161 -8.140 1.00 0.00 O ATOM 1827 CB VAL A 117 -10.019 3.663 -6.951 1.00 0.00 C ATOM 1828 CG1 VAL A 117 -10.663 2.313 -7.227 1.00 0.00 C ATOM 1829 CG2 VAL A 117 -8.597 3.490 -6.439 1.00 0.00 C ATOM 0 H VAL A 117 -9.596 6.166 -6.972 1.00 0.00 H new ATOM 0 HA VAL A 117 -9.375 4.092 -8.965 1.00 0.00 H new ATOM 0 HB VAL A 117 -10.601 4.164 -6.178 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.644 1.709 -6.320 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.695 2.460 -7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.111 1.801 -8.015 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -8.606 2.869 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.990 3.011 -7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.175 4.466 -6.200 1.00 0.00 H new