USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 698 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 HIS : no HD1:sc= -1.03 K(o=-1.2,f=-0.45) USER MOD Set 1.2: A 29 HIS : no HD1:sc= -0.126 K(o=-1.2,f=-0.53) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.975 K(o=-0.98,f=-2.2!) USER MOD Single : A 9 SER OG : rot -20:sc= -1.76! USER MOD Single : A 19 TYR OH : rot 180:sc= -0.383 USER MOD Single : A 24 ASN : amide:sc= -2.87! C(o=-2.9!,f=-6.7!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc=-0.00775 X(o=-0.0078,f=0) USER MOD Single : A 32 THR OG1 : rot -87:sc= -0.461 USER MOD Single : A 33 LYS NZ :NH3+ 129:sc= -0.062 (180deg=-0.464) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -58:sc= 0.742 USER MOD Single : A 42 GLN : amide:sc= -2.25! K(o=-2.3!,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -135:sc= -2.42 (180deg=-4.92!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0468 X(o=-0.047,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.52! K(o=-1.5!,f=-0.31) USER MOD Single : A 70 THR OG1 : rot 63:sc= -1.86! USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.869 USER MOD Single : A 77 SER OG : rot 180:sc= -0.129 USER MOD Single : A 79 THR OG1 : rot -172:sc= -0.864 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.034) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 3 6.313 2.971 -15.042 1.00 0.00 N ATOM 20 CA TYR A 3 4.963 2.815 -14.512 1.00 0.00 C ATOM 21 C TYR A 3 4.705 3.813 -13.389 1.00 0.00 C ATOM 22 O TYR A 3 5.365 3.776 -12.350 1.00 0.00 O ATOM 23 CB TYR A 3 4.758 1.385 -14.005 1.00 0.00 C ATOM 24 CG TYR A 3 3.372 1.125 -13.457 1.00 0.00 C ATOM 25 CD1 TYR A 3 2.269 1.078 -14.300 1.00 0.00 C ATOM 26 CD2 TYR A 3 3.169 0.926 -12.098 1.00 0.00 C ATOM 27 CE1 TYR A 3 1.002 0.839 -13.803 1.00 0.00 C ATOM 28 CE2 TYR A 3 1.905 0.685 -11.594 1.00 0.00 C ATOM 29 CZ TYR A 3 0.825 0.642 -12.449 1.00 0.00 C ATOM 30 OH TYR A 3 -0.435 0.404 -11.951 1.00 0.00 O ATOM 0 HA TYR A 3 4.253 3.012 -15.316 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.953 0.689 -14.821 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.492 1.177 -13.226 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.404 1.231 -15.361 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.012 0.960 -11.424 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.154 0.807 -14.471 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.764 0.531 -10.534 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.386 0.286 -10.979 1.00 0.00 H new ATOM 40 N TRP A 4 3.741 4.705 -13.601 1.00 0.00 N ATOM 41 CA TRP A 4 3.406 5.715 -12.603 1.00 0.00 C ATOM 42 C TRP A 4 1.895 5.948 -12.535 1.00 0.00 C ATOM 43 O TRP A 4 1.339 6.682 -13.353 1.00 0.00 O ATOM 44 CB TRP A 4 4.121 7.030 -12.923 1.00 0.00 C ATOM 45 CG TRP A 4 3.816 8.128 -11.950 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.882 9.114 -12.092 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.445 8.351 -10.684 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.894 9.937 -10.992 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.845 9.489 -10.113 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.458 7.699 -9.976 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.224 9.988 -8.869 1.00 0.00 C ATOM 52 CZ3 TRP A 4 5.835 8.194 -8.742 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.219 9.329 -8.200 1.00 0.00 C ATOM 0 H TRP A 4 3.180 4.749 -14.452 1.00 0.00 H new ATOM 0 HA TRP A 4 3.739 5.350 -11.631 1.00 0.00 H new ATOM 0 HB2 TRP A 4 5.197 6.856 -12.936 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.838 7.354 -13.925 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.229 9.230 -12.945 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.293 10.749 -10.852 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.938 6.823 -10.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.750 10.863 -8.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.617 7.698 -8.187 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.536 9.692 -7.233 1.00 0.00 H new ATOM 64 N PRO A 5 1.208 5.320 -11.562 1.00 0.00 N ATOM 65 CA PRO A 5 -0.240 5.477 -11.391 1.00 0.00 C ATOM 66 C PRO A 5 -0.612 6.897 -10.980 1.00 0.00 C ATOM 67 O PRO A 5 0.259 7.712 -10.678 1.00 0.00 O ATOM 68 CB PRO A 5 -0.591 4.493 -10.266 1.00 0.00 C ATOM 69 CG PRO A 5 0.589 3.589 -10.144 1.00 0.00 C ATOM 70 CD PRO A 5 1.777 4.403 -10.563 1.00 0.00 C ATOM 0 HA PRO A 5 -0.779 5.285 -12.319 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.781 5.019 -9.330 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.493 3.930 -10.504 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.702 3.231 -9.121 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.475 2.710 -10.778 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.215 4.942 -9.723 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.564 3.780 -10.988 1.00 0.00 H new ATOM 78 N ALA A 6 -1.909 7.192 -10.971 1.00 0.00 N ATOM 79 CA ALA A 6 -2.384 8.516 -10.589 1.00 0.00 C ATOM 80 C ALA A 6 -2.331 8.693 -9.075 1.00 0.00 C ATOM 81 O ALA A 6 -1.868 7.807 -8.356 1.00 0.00 O ATOM 82 CB ALA A 6 -3.797 8.744 -11.107 1.00 0.00 C ATOM 0 H ALA A 6 -2.646 6.534 -11.223 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.727 9.259 -11.041 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.136 9.737 -10.813 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.803 8.665 -12.194 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.465 7.993 -10.685 1.00 0.00 H new ATOM 88 N ARG A 7 -2.806 9.837 -8.596 1.00 0.00 N ATOM 89 CA ARG A 7 -2.802 10.122 -7.165 1.00 0.00 C ATOM 90 C ARG A 7 -4.028 9.518 -6.485 1.00 0.00 C ATOM 91 O ARG A 7 -5.119 9.495 -7.057 1.00 0.00 O ATOM 92 CB ARG A 7 -2.758 11.632 -6.925 1.00 0.00 C ATOM 93 CG ARG A 7 -2.494 12.011 -5.478 1.00 0.00 C ATOM 94 CD ARG A 7 -2.502 13.519 -5.287 1.00 0.00 C ATOM 95 NE ARG A 7 -1.491 14.180 -6.108 1.00 0.00 N ATOM 96 CZ ARG A 7 -1.366 15.500 -6.203 1.00 0.00 C ATOM 97 NH1 ARG A 7 -2.185 16.298 -5.532 1.00 0.00 N ATOM 98 NH2 ARG A 7 -0.419 16.024 -6.970 1.00 0.00 N ATOM 0 H ARG A 7 -3.198 10.580 -9.175 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.911 9.668 -6.731 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.982 12.069 -7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.706 12.069 -7.239 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.251 11.558 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.530 11.609 -5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.487 13.911 -5.540 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.326 13.752 -4.237 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.844 13.596 -6.638 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.914 15.900 -4.940 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.086 17.310 -5.607 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.214 15.414 -7.487 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.324 17.037 -7.042 1.00 0.00 H new ATOM 112 N HIS A 8 -3.839 9.027 -5.261 1.00 0.00 N ATOM 113 CA HIS A 8 -4.922 8.416 -4.492 1.00 0.00 C ATOM 114 C HIS A 8 -5.494 7.200 -5.219 1.00 0.00 C ATOM 115 O HIS A 8 -6.519 6.651 -4.813 1.00 0.00 O ATOM 116 CB HIS A 8 -6.038 9.432 -4.229 1.00 0.00 C ATOM 117 CG HIS A 8 -5.596 10.621 -3.434 1.00 0.00 C ATOM 118 ND1 HIS A 8 -5.165 10.534 -2.127 1.00 0.00 N ATOM 119 CD2 HIS A 8 -5.523 11.931 -3.766 1.00 0.00 C ATOM 120 CE1 HIS A 8 -4.846 11.740 -1.690 1.00 0.00 C ATOM 121 NE2 HIS A 8 -5.053 12.604 -2.665 1.00 0.00 N ATOM 0 H HIS A 8 -2.940 9.041 -4.778 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.506 8.089 -3.539 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.439 9.773 -5.184 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.852 8.935 -3.701 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.785 12.366 -4.719 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.478 11.978 -0.703 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.890 13.609 -2.610 1.00 0.00 H new ATOM 130 N SER A 9 -4.827 6.782 -6.291 1.00 0.00 N ATOM 131 CA SER A 9 -5.273 5.631 -7.069 1.00 0.00 C ATOM 132 C SER A 9 -5.318 4.378 -6.204 1.00 0.00 C ATOM 133 O SER A 9 -4.668 4.309 -5.164 1.00 0.00 O ATOM 134 CB SER A 9 -4.345 5.402 -8.262 1.00 0.00 C ATOM 135 OG SER A 9 -4.331 6.527 -9.120 1.00 0.00 O ATOM 0 H SER A 9 -3.976 7.223 -6.640 1.00 0.00 H new ATOM 0 HA SER A 9 -6.279 5.840 -7.434 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.335 5.199 -7.907 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.671 4.522 -8.816 1.00 0.00 H new ATOM 0 HG SER A 9 -5.131 7.070 -8.961 1.00 0.00 H new ATOM 141 N GLY A 10 -6.089 3.389 -6.639 1.00 0.00 N ATOM 142 CA GLY A 10 -6.192 2.156 -5.882 1.00 0.00 C ATOM 143 C GLY A 10 -4.868 1.423 -5.787 1.00 0.00 C ATOM 144 O GLY A 10 -4.462 0.997 -4.707 1.00 0.00 O ATOM 0 H GLY A 10 -6.641 3.418 -7.496 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.554 2.378 -4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.931 1.506 -6.350 1.00 0.00 H new ATOM 148 N ALA A 11 -4.191 1.281 -6.923 1.00 0.00 N ATOM 149 CA ALA A 11 -2.907 0.590 -6.963 1.00 0.00 C ATOM 150 C ALA A 11 -1.818 1.374 -6.230 1.00 0.00 C ATOM 151 O ALA A 11 -0.921 0.788 -5.618 1.00 0.00 O ATOM 152 CB ALA A 11 -2.500 0.335 -8.407 1.00 0.00 C ATOM 0 H ALA A 11 -4.509 1.634 -7.825 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.023 -0.364 -6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.540 -0.181 -8.429 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.255 -0.282 -8.894 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.413 1.285 -8.934 1.00 0.00 H new ATOM 158 N ARG A 12 -1.886 2.698 -6.299 1.00 0.00 N ATOM 159 CA ARG A 12 -0.896 3.535 -5.636 1.00 0.00 C ATOM 160 C ARG A 12 -1.104 3.522 -4.121 1.00 0.00 C ATOM 161 O ARG A 12 -0.146 3.492 -3.350 1.00 0.00 O ATOM 162 CB ARG A 12 -0.960 4.966 -6.193 1.00 0.00 C ATOM 163 CG ARG A 12 -1.892 5.901 -5.434 1.00 0.00 C ATOM 164 CD ARG A 12 -1.163 6.635 -4.318 1.00 0.00 C ATOM 165 NE ARG A 12 -2.065 7.466 -3.527 1.00 0.00 N ATOM 166 CZ ARG A 12 -1.654 8.442 -2.723 1.00 0.00 C ATOM 167 NH1 ARG A 12 -0.359 8.713 -2.610 1.00 0.00 N ATOM 168 NH2 ARG A 12 -2.536 9.150 -2.031 1.00 0.00 N ATOM 0 H ARG A 12 -2.610 3.211 -6.803 1.00 0.00 H new ATOM 0 HA ARG A 12 0.097 3.132 -5.836 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.044 5.390 -6.185 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.279 4.923 -7.234 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.324 6.625 -6.125 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.719 5.329 -5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.674 5.910 -3.667 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.379 7.259 -4.747 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.067 7.288 -3.595 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.323 8.172 -3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.047 9.462 -1.992 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.532 8.946 -2.115 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.219 9.898 -1.415 1.00 0.00 H new ATOM 182 N VAL A 13 -2.366 3.528 -3.705 1.00 0.00 N ATOM 183 CA VAL A 13 -2.705 3.529 -2.287 1.00 0.00 C ATOM 184 C VAL A 13 -2.308 2.223 -1.605 1.00 0.00 C ATOM 185 O VAL A 13 -1.886 2.226 -0.448 1.00 0.00 O ATOM 186 CB VAL A 13 -4.215 3.779 -2.079 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.639 3.413 -0.665 1.00 0.00 C ATOM 188 CG2 VAL A 13 -4.559 5.230 -2.376 1.00 0.00 C ATOM 0 H VAL A 13 -3.172 3.532 -4.331 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.139 4.341 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.762 3.141 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.706 3.599 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.432 2.358 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.083 4.019 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.627 5.389 -2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.997 5.882 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.301 5.461 -3.409 1.00 0.00 H new ATOM 198 N ILE A 14 -2.436 1.107 -2.316 1.00 0.00 N ATOM 199 CA ILE A 14 -2.095 -0.190 -1.748 1.00 0.00 C ATOM 200 C ILE A 14 -0.588 -0.334 -1.525 1.00 0.00 C ATOM 201 O ILE A 14 -0.155 -0.787 -0.468 1.00 0.00 O ATOM 202 CB ILE A 14 -2.590 -1.352 -2.634 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.961 -1.280 -4.027 1.00 0.00 C ATOM 204 CG2 ILE A 14 -4.108 -1.341 -2.731 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.358 -2.420 -4.939 1.00 0.00 C ATOM 0 H ILE A 14 -2.771 1.075 -3.279 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.601 -0.241 -0.784 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.281 -2.289 -2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.245 -0.338 -4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.876 -1.271 -3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.438 -2.168 -3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.537 -1.449 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.438 -0.398 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.872 -2.298 -5.907 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.049 -3.366 -4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.440 -2.419 -5.074 1.00 0.00 H new ATOM 217 N LEU A 15 0.208 0.047 -2.516 1.00 0.00 N ATOM 218 CA LEU A 15 1.657 -0.074 -2.372 1.00 0.00 C ATOM 219 C LEU A 15 2.205 0.921 -1.350 1.00 0.00 C ATOM 220 O LEU A 15 3.168 0.630 -0.641 1.00 0.00 O ATOM 221 CB LEU A 15 2.341 0.128 -3.724 1.00 0.00 C ATOM 222 CG LEU A 15 1.752 -0.694 -4.868 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.186 -0.129 -6.209 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.166 -2.152 -4.743 1.00 0.00 C ATOM 0 H LEU A 15 -0.111 0.432 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 15 1.872 -1.078 -2.008 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.287 1.184 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.397 -0.122 -3.622 1.00 0.00 H new ATOM 0 HG LEU A 15 0.665 -0.638 -4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.757 -0.728 -7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.840 0.901 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.273 -0.154 -6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.738 -2.724 -5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.253 -2.226 -4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.805 -2.553 -3.796 1.00 0.00 H new ATOM 236 N LEU A 16 1.577 2.088 -1.268 1.00 0.00 N ATOM 237 CA LEU A 16 2.012 3.118 -0.346 1.00 0.00 C ATOM 238 C LEU A 16 1.664 2.734 1.084 1.00 0.00 C ATOM 239 O LEU A 16 2.447 2.938 2.018 1.00 0.00 O ATOM 240 CB LEU A 16 1.329 4.425 -0.720 1.00 0.00 C ATOM 241 CG LEU A 16 1.594 5.587 0.222 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.079 5.907 0.269 1.00 0.00 C ATOM 243 CD2 LEU A 16 0.791 6.799 -0.212 1.00 0.00 C ATOM 0 H LEU A 16 0.765 2.340 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 16 3.094 3.233 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.650 4.710 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.254 4.254 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 16 1.280 5.306 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.250 6.742 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.628 5.034 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.425 6.175 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.987 7.628 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.080 7.084 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.272 6.557 -0.193 1.00 0.00 H new ATOM 255 N VAL A 17 0.477 2.178 1.243 1.00 0.00 N ATOM 256 CA VAL A 17 0.011 1.763 2.549 1.00 0.00 C ATOM 257 C VAL A 17 0.792 0.545 3.039 1.00 0.00 C ATOM 258 O VAL A 17 1.103 0.434 4.225 1.00 0.00 O ATOM 259 CB VAL A 17 -1.498 1.481 2.509 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.802 0.112 1.945 1.00 0.00 C ATOM 261 CG2 VAL A 17 -2.114 1.650 3.880 1.00 0.00 C ATOM 0 H VAL A 17 -0.180 2.004 0.483 1.00 0.00 H new ATOM 0 HA VAL A 17 0.185 2.573 3.258 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.947 2.213 1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.880 -0.046 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.416 0.043 0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.329 -0.650 2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.183 1.445 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.646 0.955 4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.957 2.672 4.226 1.00 0.00 H new ATOM 271 N LEU A 18 1.107 -0.365 2.119 1.00 0.00 N ATOM 272 CA LEU A 18 1.900 -1.539 2.451 1.00 0.00 C ATOM 273 C LEU A 18 3.311 -1.094 2.785 1.00 0.00 C ATOM 274 O LEU A 18 4.026 -1.739 3.552 1.00 0.00 O ATOM 275 CB LEU A 18 1.941 -2.509 1.268 1.00 0.00 C ATOM 276 CG LEU A 18 0.832 -3.555 1.215 1.00 0.00 C ATOM 277 CD1 LEU A 18 1.158 -4.719 2.136 1.00 0.00 C ATOM 278 CD2 LEU A 18 -0.520 -2.959 1.582 1.00 0.00 C ATOM 0 H LEU A 18 0.824 -0.309 1.141 1.00 0.00 H new ATOM 0 HA LEU A 18 1.450 -2.048 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.907 -1.927 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.900 -3.027 1.283 1.00 0.00 H new ATOM 0 HG LEU A 18 0.770 -3.917 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.357 -5.457 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.095 -5.179 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.256 -4.357 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.285 -3.734 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.477 -2.555 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.768 -2.160 0.883 1.00 0.00 H new ATOM 290 N TYR A 19 3.693 0.030 2.187 1.00 0.00 N ATOM 291 CA TYR A 19 5.024 0.591 2.380 1.00 0.00 C ATOM 292 C TYR A 19 5.319 0.872 3.846 1.00 0.00 C ATOM 293 O TYR A 19 6.226 0.276 4.417 1.00 0.00 O ATOM 294 CB TYR A 19 5.172 1.876 1.558 1.00 0.00 C ATOM 295 CG TYR A 19 6.486 2.599 1.754 1.00 0.00 C ATOM 296 CD1 TYR A 19 7.605 2.268 0.999 1.00 0.00 C ATOM 297 CD2 TYR A 19 6.602 3.620 2.688 1.00 0.00 C ATOM 298 CE1 TYR A 19 8.804 2.935 1.173 1.00 0.00 C ATOM 299 CE2 TYR A 19 7.795 4.293 2.866 1.00 0.00 C ATOM 300 CZ TYR A 19 8.894 3.947 2.107 1.00 0.00 C ATOM 301 OH TYR A 19 10.083 4.613 2.284 1.00 0.00 O ATOM 0 H TYR A 19 3.096 0.572 1.562 1.00 0.00 H new ATOM 0 HA TYR A 19 5.747 -0.150 2.038 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.061 1.631 0.502 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.358 2.553 1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.537 1.478 0.266 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.745 3.893 3.286 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.666 2.665 0.581 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.867 5.086 3.596 1.00 0.00 H new ATOM 0 HH TYR A 19 9.975 5.296 2.978 1.00 0.00 H new ATOM 311 N ARG A 20 4.532 1.740 4.469 1.00 0.00 N ATOM 312 CA ARG A 20 4.771 2.081 5.865 1.00 0.00 C ATOM 313 C ARG A 20 4.815 0.850 6.761 1.00 0.00 C ATOM 314 O ARG A 20 5.732 0.699 7.569 1.00 0.00 O ATOM 315 CB ARG A 20 3.715 3.053 6.367 1.00 0.00 C ATOM 316 CG ARG A 20 2.296 2.700 5.965 1.00 0.00 C ATOM 317 CD ARG A 20 1.362 3.858 6.256 1.00 0.00 C ATOM 318 NE ARG A 20 -0.042 3.505 6.073 1.00 0.00 N ATOM 319 CZ ARG A 20 -1.024 4.401 6.049 1.00 0.00 C ATOM 320 NH1 ARG A 20 -0.749 5.694 6.164 1.00 0.00 N ATOM 321 NH2 ARG A 20 -2.279 4.009 5.908 1.00 0.00 N ATOM 0 H ARG A 20 3.737 2.213 4.039 1.00 0.00 H new ATOM 0 HA ARG A 20 5.751 2.557 5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.770 3.101 7.455 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.949 4.050 5.992 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.262 2.455 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.967 1.814 6.508 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.517 4.197 7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.611 4.694 5.602 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.282 2.520 5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.217 6.002 6.271 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.504 6.380 6.145 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.496 3.017 5.817 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.030 4.699 5.890 1.00 0.00 H new ATOM 335 N GLU A 21 3.830 -0.029 6.624 1.00 0.00 N ATOM 336 CA GLU A 21 3.789 -1.241 7.433 1.00 0.00 C ATOM 337 C GLU A 21 5.025 -2.098 7.176 1.00 0.00 C ATOM 338 O GLU A 21 5.462 -2.852 8.041 1.00 0.00 O ATOM 339 CB GLU A 21 2.525 -2.041 7.118 1.00 0.00 C ATOM 340 CG GLU A 21 2.423 -3.349 7.884 1.00 0.00 C ATOM 341 CD GLU A 21 2.321 -3.143 9.382 1.00 0.00 C ATOM 342 OE1 GLU A 21 1.188 -2.993 9.886 1.00 0.00 O ATOM 343 OE2 GLU A 21 3.375 -3.131 10.052 1.00 0.00 O ATOM 0 H GLU A 21 3.056 0.072 5.967 1.00 0.00 H new ATOM 0 HA GLU A 21 3.776 -0.954 8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.652 -1.429 7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.497 -2.253 6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.550 -3.901 7.537 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.296 -3.963 7.664 1.00 0.00 H new ATOM 350 N HIS A 22 5.571 -1.983 5.973 1.00 0.00 N ATOM 351 CA HIS A 22 6.757 -2.754 5.619 1.00 0.00 C ATOM 352 C HIS A 22 7.994 -2.207 6.323 1.00 0.00 C ATOM 353 O HIS A 22 8.827 -2.970 6.816 1.00 0.00 O ATOM 354 CB HIS A 22 6.956 -2.748 4.104 1.00 0.00 C ATOM 355 CG HIS A 22 8.258 -3.341 3.655 1.00 0.00 C ATOM 356 ND1 HIS A 22 8.366 -4.613 3.132 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.509 -2.821 3.634 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.627 -4.849 2.812 1.00 0.00 C ATOM 359 NE2 HIS A 22 10.339 -3.779 3.107 1.00 0.00 N ATOM 0 H HIS A 22 5.219 -1.373 5.235 1.00 0.00 H new ATOM 0 HA HIS A 22 6.609 -3.782 5.950 1.00 0.00 H new ATOM 0 HB2 HIS A 22 6.139 -3.299 3.639 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.894 -1.721 3.744 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.799 -1.836 3.969 1.00 0.00 H new ATOM 0 HE1 HIS A 22 10.009 -5.763 2.382 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.344 -3.679 2.966 1.00 0.00 H new ATOM 368 N LEU A 23 8.111 -0.885 6.366 1.00 0.00 N ATOM 369 CA LEU A 23 9.250 -0.250 7.020 1.00 0.00 C ATOM 370 C LEU A 23 9.247 -0.536 8.515 1.00 0.00 C ATOM 371 O LEU A 23 10.179 -0.166 9.228 1.00 0.00 O ATOM 372 CB LEU A 23 9.235 1.261 6.783 1.00 0.00 C ATOM 373 CG LEU A 23 9.706 1.703 5.399 1.00 0.00 C ATOM 374 CD1 LEU A 23 8.673 1.362 4.338 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.013 3.192 5.391 1.00 0.00 C ATOM 0 H LEU A 23 7.437 -0.236 5.959 1.00 0.00 H new ATOM 0 HA LEU A 23 10.158 -0.668 6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.221 1.628 6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.865 1.737 7.534 1.00 0.00 H new ATOM 0 HG LEU A 23 10.622 1.161 5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.033 1.687 3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.508 0.285 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.736 1.869 4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.347 3.489 4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.114 3.750 5.654 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.798 3.406 6.117 1.00 0.00 H new ATOM 387 N ASN A 24 8.194 -1.199 8.980 1.00 0.00 N ATOM 388 CA ASN A 24 8.057 -1.535 10.393 1.00 0.00 C ATOM 389 C ASN A 24 9.243 -2.343 10.910 1.00 0.00 C ATOM 390 O ASN A 24 9.395 -3.518 10.574 1.00 0.00 O ATOM 391 CB ASN A 24 6.772 -2.324 10.636 1.00 0.00 C ATOM 392 CG ASN A 24 5.621 -1.429 11.036 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.911 -0.894 10.187 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.428 -1.264 12.336 1.00 0.00 N ATOM 0 H ASN A 24 7.420 -1.516 8.396 1.00 0.00 H new ATOM 0 HA ASN A 24 8.022 -0.591 10.937 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.507 -2.872 9.732 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.944 -3.064 11.418 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.665 -0.673 12.667 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.042 -1.728 13.006 1.00 0.00 H new ATOM 401 N PRO A 25 10.104 -1.722 11.734 1.00 0.00 N ATOM 402 CA PRO A 25 11.259 -2.404 12.320 1.00 0.00 C ATOM 403 C PRO A 25 10.827 -3.511 13.267 1.00 0.00 C ATOM 404 O PRO A 25 11.471 -4.557 13.360 1.00 0.00 O ATOM 405 CB PRO A 25 11.978 -1.305 13.111 1.00 0.00 C ATOM 406 CG PRO A 25 11.436 -0.020 12.588 1.00 0.00 C ATOM 407 CD PRO A 25 10.032 -0.312 12.146 1.00 0.00 C ATOM 0 HA PRO A 25 11.882 -2.872 11.558 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.790 -1.404 14.180 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.057 -1.362 12.970 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.450 0.751 13.358 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.038 0.348 11.757 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.315 -0.163 12.953 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.725 0.334 11.324 1.00 0.00 H new ATOM 415 N ASN A 26 9.726 -3.267 13.969 1.00 0.00 N ATOM 416 CA ASN A 26 9.200 -4.231 14.923 1.00 0.00 C ATOM 417 C ASN A 26 7.897 -4.845 14.432 1.00 0.00 C ATOM 418 O ASN A 26 7.525 -5.948 14.831 1.00 0.00 O ATOM 419 CB ASN A 26 8.974 -3.560 16.277 1.00 0.00 C ATOM 420 CG ASN A 26 10.269 -3.313 17.026 1.00 0.00 C ATOM 421 OD1 ASN A 26 10.722 -4.156 17.800 1.00 0.00 O ATOM 422 ND2 ASN A 26 10.873 -2.153 16.797 1.00 0.00 N ATOM 0 H ASN A 26 9.181 -2.408 13.894 1.00 0.00 H new ATOM 0 HA ASN A 26 9.935 -5.029 15.029 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.458 -2.612 16.127 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.320 -4.186 16.884 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.749 -1.932 17.271 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.461 -1.483 16.147 1.00 0.00 H new ATOM 429 N GLY A 27 7.215 -4.120 13.563 1.00 0.00 N ATOM 430 CA GLY A 27 5.953 -4.600 13.028 1.00 0.00 C ATOM 431 C GLY A 27 6.138 -5.654 11.958 1.00 0.00 C ATOM 432 O GLY A 27 7.242 -6.159 11.756 1.00 0.00 O ATOM 0 H GLY A 27 7.509 -3.207 13.216 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.352 -5.012 13.839 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.396 -3.760 12.613 1.00 0.00 H new ATOM 436 N HIS A 28 5.052 -5.986 11.268 1.00 0.00 N ATOM 437 CA HIS A 28 5.098 -6.985 10.209 1.00 0.00 C ATOM 438 C HIS A 28 5.274 -6.318 8.852 1.00 0.00 C ATOM 439 O HIS A 28 4.692 -5.268 8.588 1.00 0.00 O ATOM 440 CB HIS A 28 3.819 -7.825 10.218 1.00 0.00 C ATOM 441 CG HIS A 28 3.615 -8.588 11.490 1.00 0.00 C ATOM 442 ND1 HIS A 28 3.862 -9.940 11.605 1.00 0.00 N ATOM 443 CD2 HIS A 28 3.183 -8.182 12.707 1.00 0.00 C ATOM 444 CE1 HIS A 28 3.590 -10.332 12.837 1.00 0.00 C ATOM 445 NE2 HIS A 28 3.177 -9.284 13.526 1.00 0.00 N ATOM 0 H HIS A 28 4.130 -5.578 11.424 1.00 0.00 H new ATOM 0 HA HIS A 28 5.952 -7.638 10.389 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.963 -7.171 10.055 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.848 -8.526 9.384 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.896 -7.178 12.983 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.689 -11.338 13.216 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.899 -9.292 14.507 1.00 0.00 H new ATOM 454 N HIS A 29 6.078 -6.933 7.992 1.00 0.00 N ATOM 455 CA HIS A 29 6.327 -6.395 6.658 1.00 0.00 C ATOM 456 C HIS A 29 5.184 -6.749 5.710 1.00 0.00 C ATOM 457 O HIS A 29 5.404 -7.006 4.527 1.00 0.00 O ATOM 458 CB HIS A 29 7.648 -6.934 6.108 1.00 0.00 C ATOM 459 CG HIS A 29 8.848 -6.488 6.885 1.00 0.00 C ATOM 460 ND1 HIS A 29 9.851 -5.714 6.341 1.00 0.00 N ATOM 461 CD2 HIS A 29 9.204 -6.713 8.172 1.00 0.00 C ATOM 462 CE1 HIS A 29 10.775 -5.484 7.259 1.00 0.00 C ATOM 463 NE2 HIS A 29 10.404 -6.079 8.378 1.00 0.00 N ATOM 0 H HIS A 29 6.569 -7.804 8.194 1.00 0.00 H new ATOM 0 HA HIS A 29 6.390 -5.309 6.734 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.613 -8.023 6.104 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.758 -6.615 5.072 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.648 -7.284 8.900 1.00 0.00 H new ATOM 0 HE1 HIS A 29 11.678 -4.908 7.118 1.00 0.00 H new ATOM 0 HE2 HIS A 29 10.925 -6.069 9.255 1.00 0.00 H new ATOM 472 N PHE A 30 3.964 -6.744 6.237 1.00 0.00 N ATOM 473 CA PHE A 30 2.784 -7.076 5.440 1.00 0.00 C ATOM 474 C PHE A 30 1.494 -6.751 6.185 1.00 0.00 C ATOM 475 O PHE A 30 1.512 -6.361 7.352 1.00 0.00 O ATOM 476 CB PHE A 30 2.778 -8.566 5.077 1.00 0.00 C ATOM 477 CG PHE A 30 2.586 -9.476 6.260 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.313 -9.840 6.669 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.675 -9.967 6.962 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.127 -10.674 7.753 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.496 -10.803 8.049 1.00 0.00 C ATOM 482 CZ PHE A 30 2.219 -11.157 8.444 1.00 0.00 C ATOM 0 H PHE A 30 3.765 -6.514 7.211 1.00 0.00 H new ATOM 0 HA PHE A 30 2.833 -6.472 4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.983 -8.752 4.354 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.719 -8.815 4.587 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.454 -9.466 6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.674 -9.694 6.657 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.128 -10.948 8.060 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.353 -11.179 8.589 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.077 -11.810 9.292 1.00 0.00 H new ATOM 492 N LEU A 31 0.377 -6.931 5.487 1.00 0.00 N ATOM 493 CA LEU A 31 -0.940 -6.688 6.056 1.00 0.00 C ATOM 494 C LEU A 31 -2.013 -7.336 5.184 1.00 0.00 C ATOM 495 O LEU A 31 -1.787 -7.597 4.001 1.00 0.00 O ATOM 496 CB LEU A 31 -1.203 -5.188 6.184 1.00 0.00 C ATOM 497 CG LEU A 31 -0.914 -4.588 7.561 1.00 0.00 C ATOM 498 CD1 LEU A 31 -1.017 -3.072 7.514 1.00 0.00 C ATOM 499 CD2 LEU A 31 -1.867 -5.155 8.601 1.00 0.00 C ATOM 0 H LEU A 31 0.361 -7.247 4.517 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.974 -7.130 7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.597 -4.665 5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.247 -4.996 5.934 1.00 0.00 H new ATOM 0 HG LEU A 31 0.104 -4.855 7.846 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.808 -2.662 8.502 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.294 -2.680 6.799 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.023 -2.785 7.207 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.646 -4.717 9.574 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.894 -4.919 8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.745 -6.237 8.654 1.00 0.00 H new ATOM 511 N THR A 32 -3.175 -7.602 5.770 1.00 0.00 N ATOM 512 CA THR A 32 -4.265 -8.222 5.026 1.00 0.00 C ATOM 513 C THR A 32 -5.169 -7.165 4.400 1.00 0.00 C ATOM 514 O THR A 32 -5.288 -6.056 4.918 1.00 0.00 O ATOM 515 CB THR A 32 -5.106 -9.148 5.927 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.733 -8.387 6.964 1.00 0.00 O ATOM 517 CG2 THR A 32 -4.234 -10.233 6.544 1.00 0.00 C ATOM 0 H THR A 32 -3.385 -7.401 6.748 1.00 0.00 H new ATOM 0 HA THR A 32 -3.813 -8.820 4.235 1.00 0.00 H new ATOM 0 HB THR A 32 -5.872 -9.621 5.313 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.126 -8.315 7.730 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.846 -10.876 7.176 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.780 -10.829 5.752 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.451 -9.772 7.146 1.00 0.00 H new ATOM 525 N LYS A 33 -5.813 -7.524 3.290 1.00 0.00 N ATOM 526 CA LYS A 33 -6.693 -6.584 2.591 1.00 0.00 C ATOM 527 C LYS A 33 -7.701 -5.955 3.543 1.00 0.00 C ATOM 528 O LYS A 33 -7.897 -4.739 3.537 1.00 0.00 O ATOM 529 CB LYS A 33 -7.437 -7.312 1.466 1.00 0.00 C ATOM 530 CG LYS A 33 -7.962 -6.400 0.361 1.00 0.00 C ATOM 531 CD LYS A 33 -9.148 -5.565 0.824 1.00 0.00 C ATOM 532 CE LYS A 33 -9.857 -4.897 -0.346 1.00 0.00 C ATOM 533 NZ LYS A 33 -10.447 -5.895 -1.281 1.00 0.00 N ATOM 0 H LYS A 33 -5.745 -8.446 2.859 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.075 -5.789 2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.768 -8.050 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.275 -7.859 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.162 -5.739 0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.257 -7.004 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.852 -6.200 1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.806 -4.804 1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.644 -4.244 0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.151 -4.266 -0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.445 -5.660 -1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.925 -5.879 -2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.383 -6.844 -0.861 1.00 0.00 H new ATOM 547 N GLU A 34 -8.337 -6.783 4.359 1.00 0.00 N ATOM 548 CA GLU A 34 -9.323 -6.284 5.309 1.00 0.00 C ATOM 549 C GLU A 34 -8.712 -5.220 6.219 1.00 0.00 C ATOM 550 O GLU A 34 -9.373 -4.249 6.586 1.00 0.00 O ATOM 551 CB GLU A 34 -9.881 -7.436 6.145 1.00 0.00 C ATOM 552 CG GLU A 34 -8.823 -8.188 6.935 1.00 0.00 C ATOM 553 CD GLU A 34 -9.404 -9.325 7.753 1.00 0.00 C ATOM 554 OE1 GLU A 34 -9.796 -9.081 8.914 1.00 0.00 O ATOM 555 OE2 GLU A 34 -9.468 -10.458 7.232 1.00 0.00 O ATOM 0 H GLU A 34 -8.191 -7.792 4.384 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.138 -5.827 4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.627 -7.043 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.395 -8.136 5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.076 -8.585 6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.309 -7.493 7.599 1.00 0.00 H new ATOM 562 N GLU A 35 -7.447 -5.413 6.578 1.00 0.00 N ATOM 563 CA GLU A 35 -6.749 -4.471 7.448 1.00 0.00 C ATOM 564 C GLU A 35 -6.414 -3.183 6.706 1.00 0.00 C ATOM 565 O GLU A 35 -6.507 -2.091 7.266 1.00 0.00 O ATOM 566 CB GLU A 35 -5.476 -5.104 8.016 1.00 0.00 C ATOM 567 CG GLU A 35 -5.751 -6.214 9.019 1.00 0.00 C ATOM 568 CD GLU A 35 -4.482 -6.830 9.573 1.00 0.00 C ATOM 569 OE1 GLU A 35 -3.977 -7.797 8.965 1.00 0.00 O ATOM 570 OE2 GLU A 35 -3.993 -6.347 10.616 1.00 0.00 O ATOM 0 H GLU A 35 -6.885 -6.211 6.281 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.415 -4.223 8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.881 -5.505 7.196 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.877 -4.330 8.496 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.346 -5.816 9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.348 -6.990 8.541 1.00 0.00 H new ATOM 577 N LEU A 36 -6.025 -3.318 5.441 1.00 0.00 N ATOM 578 CA LEU A 36 -5.676 -2.155 4.636 1.00 0.00 C ATOM 579 C LEU A 36 -6.826 -1.157 4.583 1.00 0.00 C ATOM 580 O LEU A 36 -6.605 0.049 4.488 1.00 0.00 O ATOM 581 CB LEU A 36 -5.295 -2.587 3.221 1.00 0.00 C ATOM 582 CG LEU A 36 -4.394 -3.819 3.135 1.00 0.00 C ATOM 583 CD1 LEU A 36 -3.952 -4.074 1.704 1.00 0.00 C ATOM 584 CD2 LEU A 36 -3.184 -3.664 4.042 1.00 0.00 C ATOM 0 H LEU A 36 -5.944 -4.212 4.957 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.822 -1.666 5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.209 -2.786 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.793 -1.755 2.727 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.973 -4.680 3.471 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.312 -4.956 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.828 -4.238 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.398 -3.211 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.556 -4.552 3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.612 -2.787 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.516 -3.542 5.073 1.00 0.00 H new ATOM 596 N LEU A 37 -8.052 -1.666 4.637 1.00 0.00 N ATOM 597 CA LEU A 37 -9.235 -0.811 4.605 1.00 0.00 C ATOM 598 C LEU A 37 -9.163 0.235 5.712 1.00 0.00 C ATOM 599 O LEU A 37 -9.520 1.394 5.512 1.00 0.00 O ATOM 600 CB LEU A 37 -10.505 -1.652 4.758 1.00 0.00 C ATOM 601 CG LEU A 37 -10.710 -2.726 3.687 1.00 0.00 C ATOM 602 CD1 LEU A 37 -11.959 -3.541 3.983 1.00 0.00 C ATOM 603 CD2 LEU A 37 -10.801 -2.094 2.306 1.00 0.00 C ATOM 0 H LEU A 37 -8.253 -2.664 4.703 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.267 -0.301 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.486 -2.135 5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.367 -0.984 4.749 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.850 -3.395 3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.090 -4.300 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.856 -4.025 4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.828 -2.883 3.996 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.947 -2.873 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.642 -1.402 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.879 -1.553 2.092 1.00 0.00 H new ATOM 615 N GLN A 38 -8.710 -0.189 6.885 1.00 0.00 N ATOM 616 CA GLN A 38 -8.578 0.724 8.013 1.00 0.00 C ATOM 617 C GLN A 38 -7.379 1.634 7.793 1.00 0.00 C ATOM 618 O GLN A 38 -7.390 2.810 8.154 1.00 0.00 O ATOM 619 CB GLN A 38 -8.419 -0.055 9.320 1.00 0.00 C ATOM 620 CG GLN A 38 -9.600 -0.959 9.635 1.00 0.00 C ATOM 621 CD GLN A 38 -9.421 -1.720 10.935 1.00 0.00 C ATOM 622 OE1 GLN A 38 -8.884 -2.828 10.950 1.00 0.00 O ATOM 623 NE2 GLN A 38 -9.872 -1.128 12.035 1.00 0.00 N ATOM 0 H GLN A 38 -8.430 -1.150 7.079 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.481 1.330 8.086 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.513 -0.659 9.266 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.283 0.650 10.140 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.508 -0.358 9.692 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.738 -1.668 8.819 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.311 -0.209 11.976 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.780 -1.592 12.938 1.00 0.00 H new ATOM 632 N ARG A 39 -6.345 1.059 7.194 1.00 0.00 N ATOM 633 CA ARG A 39 -5.121 1.788 6.898 1.00 0.00 C ATOM 634 C ARG A 39 -5.393 2.990 6.002 1.00 0.00 C ATOM 635 O ARG A 39 -4.866 4.078 6.229 1.00 0.00 O ATOM 636 CB ARG A 39 -4.136 0.856 6.208 1.00 0.00 C ATOM 637 CG ARG A 39 -3.847 -0.414 6.981 1.00 0.00 C ATOM 638 CD ARG A 39 -2.991 -0.150 8.208 1.00 0.00 C ATOM 639 NE ARG A 39 -3.729 0.548 9.257 1.00 0.00 N ATOM 640 CZ ARG A 39 -3.179 0.965 10.395 1.00 0.00 C ATOM 641 NH1 ARG A 39 -1.890 0.757 10.627 1.00 0.00 N ATOM 642 NH2 ARG A 39 -3.919 1.592 11.299 1.00 0.00 N ATOM 0 H ARG A 39 -6.331 0.082 6.902 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.704 2.152 7.837 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.529 0.591 5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.200 1.390 6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.787 -0.874 7.286 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.339 -1.127 6.331 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.617 -1.097 8.598 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.122 0.443 7.922 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.722 0.726 9.109 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.318 0.277 9.933 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.471 1.078 11.500 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.910 1.755 11.122 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.497 1.911 12.171 1.00 0.00 H new ATOM 656 N CYS A 40 -6.225 2.783 4.988 1.00 0.00 N ATOM 657 CA CYS A 40 -6.557 3.845 4.039 1.00 0.00 C ATOM 658 C CYS A 40 -7.065 5.087 4.764 1.00 0.00 C ATOM 659 O CYS A 40 -6.863 6.212 4.306 1.00 0.00 O ATOM 660 CB CYS A 40 -7.603 3.367 3.029 1.00 0.00 C ATOM 661 SG CYS A 40 -9.307 3.454 3.626 1.00 0.00 S ATOM 0 H CYS A 40 -6.683 1.891 4.800 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.644 4.104 3.502 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.517 3.967 2.123 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.379 2.337 2.752 1.00 0.00 H new ATOM 0 HG CYS A 40 -9.425 2.740 4.706 1.00 0.00 H new ATOM 667 N ALA A 41 -7.735 4.873 5.890 1.00 0.00 N ATOM 668 CA ALA A 41 -8.259 5.989 6.670 1.00 0.00 C ATOM 669 C ALA A 41 -7.172 7.034 6.920 1.00 0.00 C ATOM 670 O ALA A 41 -7.438 8.236 6.906 1.00 0.00 O ATOM 671 CB ALA A 41 -8.833 5.493 7.987 1.00 0.00 C ATOM 0 H ALA A 41 -7.927 3.950 6.280 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.059 6.460 6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.220 6.338 8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.641 4.789 7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.051 4.996 8.561 1.00 0.00 H new ATOM 677 N GLN A 42 -5.947 6.564 7.148 1.00 0.00 N ATOM 678 CA GLN A 42 -4.830 7.475 7.392 1.00 0.00 C ATOM 679 C GLN A 42 -4.174 7.863 6.076 1.00 0.00 C ATOM 680 O GLN A 42 -3.647 8.966 5.926 1.00 0.00 O ATOM 681 CB GLN A 42 -3.804 6.822 8.322 1.00 0.00 C ATOM 682 CG GLN A 42 -2.646 7.735 8.690 1.00 0.00 C ATOM 683 CD GLN A 42 -1.670 7.081 9.648 1.00 0.00 C ATOM 684 OE1 GLN A 42 -1.818 7.181 10.867 1.00 0.00 O ATOM 685 NE2 GLN A 42 -0.664 6.407 9.102 1.00 0.00 N ATOM 0 H GLN A 42 -5.704 5.573 7.169 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.212 8.375 7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.306 6.501 9.235 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.410 5.926 7.842 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.118 8.029 7.783 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.036 8.647 9.141 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.580 6.350 8.087 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.024 5.947 9.698 1.00 0.00 H new ATOM 694 N LYS A 43 -4.211 6.932 5.130 1.00 0.00 N ATOM 695 CA LYS A 43 -3.654 7.143 3.800 1.00 0.00 C ATOM 696 C LYS A 43 -4.085 8.499 3.250 1.00 0.00 C ATOM 697 O LYS A 43 -3.292 9.215 2.639 1.00 0.00 O ATOM 698 CB LYS A 43 -4.135 6.011 2.891 1.00 0.00 C ATOM 699 CG LYS A 43 -4.001 6.288 1.399 1.00 0.00 C ATOM 700 CD LYS A 43 -2.550 6.281 0.933 1.00 0.00 C ATOM 701 CE LYS A 43 -1.854 4.960 1.234 1.00 0.00 C ATOM 702 NZ LYS A 43 -1.327 4.906 2.628 1.00 0.00 N ATOM 0 H LYS A 43 -4.628 6.011 5.263 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.565 7.139 3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.573 5.108 3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.181 5.804 3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.562 5.538 0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.448 7.255 1.171 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.514 6.472 -0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.010 7.093 1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.554 4.139 1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.033 4.815 0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.361 4.522 2.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.315 5.864 3.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.937 4.294 3.206 1.00 0.00 H new ATOM 885 N PRO A 56 -9.524 -4.668 -4.896 1.00 0.00 N ATOM 886 CA PRO A 56 -8.838 -5.934 -5.192 1.00 0.00 C ATOM 887 C PRO A 56 -7.860 -5.817 -6.362 1.00 0.00 C ATOM 888 O PRO A 56 -7.254 -6.806 -6.774 1.00 0.00 O ATOM 889 CB PRO A 56 -9.981 -6.888 -5.547 1.00 0.00 C ATOM 890 CG PRO A 56 -11.169 -6.331 -4.844 1.00 0.00 C ATOM 891 CD PRO A 56 -10.991 -4.839 -4.860 1.00 0.00 C ATOM 0 HA PRO A 56 -8.231 -6.267 -4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.142 -6.930 -6.624 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.766 -7.904 -5.217 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.092 -6.620 -5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.231 -6.707 -3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.469 -4.387 -5.729 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.428 -4.373 -3.977 1.00 0.00 H new ATOM 899 N ALA A 57 -7.720 -4.607 -6.899 1.00 0.00 N ATOM 900 CA ALA A 57 -6.809 -4.362 -8.011 1.00 0.00 C ATOM 901 C ALA A 57 -5.402 -4.863 -7.697 1.00 0.00 C ATOM 902 O ALA A 57 -4.617 -5.132 -8.606 1.00 0.00 O ATOM 903 CB ALA A 57 -6.779 -2.878 -8.345 1.00 0.00 C ATOM 0 H ALA A 57 -8.227 -3.781 -6.581 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.175 -4.915 -8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.096 -2.706 -9.177 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.780 -2.547 -8.623 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.440 -2.316 -7.475 1.00 0.00 H new ATOM 909 N LEU A 58 -5.089 -4.987 -6.408 1.00 0.00 N ATOM 910 CA LEU A 58 -3.774 -5.460 -5.989 1.00 0.00 C ATOM 911 C LEU A 58 -3.452 -6.809 -6.620 1.00 0.00 C ATOM 912 O LEU A 58 -2.286 -7.142 -6.832 1.00 0.00 O ATOM 913 CB LEU A 58 -3.681 -5.544 -4.461 1.00 0.00 C ATOM 914 CG LEU A 58 -4.977 -5.901 -3.729 1.00 0.00 C ATOM 915 CD1 LEU A 58 -5.370 -7.347 -3.983 1.00 0.00 C ATOM 916 CD2 LEU A 58 -4.822 -5.644 -2.240 1.00 0.00 C ATOM 0 H LEU A 58 -5.725 -4.768 -5.641 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.035 -4.737 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.925 -6.286 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.327 -4.584 -4.085 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.774 -5.267 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.294 -7.572 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.520 -7.501 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.578 -8.007 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.749 -5.901 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.009 -6.256 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.596 -4.591 -2.074 1.00 0.00 H new ATOM 928 N ARG A 59 -4.491 -7.581 -6.920 1.00 0.00 N ATOM 929 CA ARG A 59 -4.312 -8.883 -7.547 1.00 0.00 C ATOM 930 C ARG A 59 -3.605 -8.718 -8.884 1.00 0.00 C ATOM 931 O ARG A 59 -2.740 -9.516 -9.249 1.00 0.00 O ATOM 932 CB ARG A 59 -5.664 -9.572 -7.747 1.00 0.00 C ATOM 933 CG ARG A 59 -6.402 -9.854 -6.449 1.00 0.00 C ATOM 934 CD ARG A 59 -7.733 -10.543 -6.704 1.00 0.00 C ATOM 935 NE ARG A 59 -8.452 -10.821 -5.464 1.00 0.00 N ATOM 936 CZ ARG A 59 -9.622 -11.450 -5.414 1.00 0.00 C ATOM 937 NH1 ARG A 59 -10.204 -11.866 -6.531 1.00 0.00 N ATOM 938 NH2 ARG A 59 -10.212 -11.665 -4.245 1.00 0.00 N ATOM 0 H ARG A 59 -5.462 -7.328 -6.739 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.701 -9.506 -6.894 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.291 -8.946 -8.383 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.509 -10.511 -8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.784 -10.481 -5.806 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.571 -8.919 -5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.349 -9.915 -7.347 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.561 -11.476 -7.240 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.033 -10.515 -4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.754 -11.704 -7.432 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.102 -12.348 -6.489 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.768 -11.347 -3.383 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.110 -12.148 -4.208 1.00 0.00 H new ATOM 952 N SER A 60 -3.985 -7.672 -9.611 1.00 0.00 N ATOM 953 CA SER A 60 -3.378 -7.389 -10.903 1.00 0.00 C ATOM 954 C SER A 60 -1.925 -6.963 -10.724 1.00 0.00 C ATOM 955 O SER A 60 -1.086 -7.208 -11.590 1.00 0.00 O ATOM 956 CB SER A 60 -4.161 -6.295 -11.632 1.00 0.00 C ATOM 957 OG SER A 60 -5.503 -6.692 -11.854 1.00 0.00 O ATOM 0 H SER A 60 -4.707 -7.010 -9.327 1.00 0.00 H new ATOM 0 HA SER A 60 -3.405 -8.298 -11.504 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.142 -5.377 -11.045 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.681 -6.074 -12.585 1.00 0.00 H new ATOM 0 HG SER A 60 -5.983 -5.976 -12.320 1.00 0.00 H new ATOM 963 N LEU A 61 -1.634 -6.321 -9.594 1.00 0.00 N ATOM 964 CA LEU A 61 -0.279 -5.872 -9.305 1.00 0.00 C ATOM 965 C LEU A 61 0.619 -7.054 -8.958 1.00 0.00 C ATOM 966 O LEU A 61 1.807 -7.056 -9.284 1.00 0.00 O ATOM 967 CB LEU A 61 -0.274 -4.843 -8.174 1.00 0.00 C ATOM 968 CG LEU A 61 -0.686 -3.432 -8.589 1.00 0.00 C ATOM 969 CD1 LEU A 61 -2.198 -3.280 -8.555 1.00 0.00 C ATOM 970 CD2 LEU A 61 -0.014 -2.407 -7.693 1.00 0.00 C ATOM 0 H LEU A 61 -2.317 -6.102 -8.868 1.00 0.00 H new ATOM 0 HA LEU A 61 0.115 -5.393 -10.201 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.946 -5.186 -7.387 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.727 -4.802 -7.743 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.359 -3.260 -9.614 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.469 -2.267 -8.854 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.651 -3.995 -9.242 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.560 -3.469 -7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.315 -1.405 -7.998 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.313 -2.577 -6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.068 -2.503 -7.779 1.00 0.00 H new ATOM 982 N LEU A 62 0.048 -8.054 -8.289 1.00 0.00 N ATOM 983 CA LEU A 62 0.810 -9.248 -7.939 1.00 0.00 C ATOM 984 C LEU A 62 1.437 -9.823 -9.198 1.00 0.00 C ATOM 985 O LEU A 62 2.508 -10.428 -9.161 1.00 0.00 O ATOM 986 CB LEU A 62 -0.094 -10.295 -7.285 1.00 0.00 C ATOM 987 CG LEU A 62 -0.777 -9.867 -5.980 1.00 0.00 C ATOM 988 CD1 LEU A 62 -1.950 -10.785 -5.680 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.209 -9.886 -4.818 1.00 0.00 C ATOM 0 H LEU A 62 -0.925 -8.061 -7.983 1.00 0.00 H new ATOM 0 HA LEU A 62 1.589 -8.976 -7.226 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.866 -10.579 -8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.500 -11.187 -7.086 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.142 -8.847 -6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.428 -10.473 -4.752 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.671 -10.732 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.593 -11.810 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.300 -9.579 -3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.604 -10.894 -4.692 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.029 -9.199 -5.025 1.00 0.00 H new ATOM 1001 N HIS A 63 0.745 -9.621 -10.318 1.00 0.00 N ATOM 1002 CA HIS A 63 1.219 -10.089 -11.609 1.00 0.00 C ATOM 1003 C HIS A 63 2.527 -9.392 -11.962 1.00 0.00 C ATOM 1004 O HIS A 63 3.497 -10.037 -12.361 1.00 0.00 O ATOM 1005 CB HIS A 63 0.167 -9.818 -12.685 1.00 0.00 C ATOM 1006 CG HIS A 63 0.538 -10.343 -14.038 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.112 -11.565 -14.515 1.00 0.00 N ATOM 1008 CD2 HIS A 63 1.296 -9.800 -15.022 1.00 0.00 C ATOM 1009 CE1 HIS A 63 0.593 -11.752 -15.731 1.00 0.00 C ATOM 1010 NE2 HIS A 63 1.313 -10.696 -16.063 1.00 0.00 N ATOM 0 H HIS A 63 -0.150 -9.133 -10.352 1.00 0.00 H new ATOM 0 HA HIS A 63 1.394 -11.164 -11.557 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.778 -10.267 -12.378 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.001 -8.743 -12.755 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.794 -8.842 -14.993 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.426 -12.622 -16.349 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.802 -10.567 -16.949 1.00 0.00 H new ATOM 1019 N ARG A 64 2.544 -8.068 -11.809 1.00 0.00 N ATOM 1020 CA ARG A 64 3.743 -7.295 -12.090 1.00 0.00 C ATOM 1021 C ARG A 64 4.778 -7.558 -11.006 1.00 0.00 C ATOM 1022 O ARG A 64 5.921 -7.108 -11.089 1.00 0.00 O ATOM 1023 CB ARG A 64 3.411 -5.806 -12.162 1.00 0.00 C ATOM 1024 CG ARG A 64 2.415 -5.464 -13.257 1.00 0.00 C ATOM 1025 CD ARG A 64 2.249 -3.962 -13.414 1.00 0.00 C ATOM 1026 NE ARG A 64 1.285 -3.625 -14.458 1.00 0.00 N ATOM 1027 CZ ARG A 64 1.444 -2.618 -15.311 1.00 0.00 C ATOM 1028 NH1 ARG A 64 2.529 -1.858 -15.251 1.00 0.00 N ATOM 1029 NH2 ARG A 64 0.518 -2.374 -16.229 1.00 0.00 N ATOM 0 H ARG A 64 1.746 -7.516 -11.494 1.00 0.00 H new ATOM 0 HA ARG A 64 4.150 -7.599 -13.055 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.009 -5.484 -11.201 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.330 -5.244 -12.328 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.750 -5.894 -14.201 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.450 -5.915 -13.025 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.923 -3.532 -12.467 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.213 -3.513 -13.652 1.00 0.00 H new ATOM 0 HE ARG A 64 0.442 -4.194 -14.537 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.245 -2.045 -14.549 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.648 -1.086 -15.907 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.316 -2.959 -16.280 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.640 -1.601 -16.884 1.00 0.00 H new ATOM 1043 N ASN A 65 4.345 -8.291 -9.984 1.00 0.00 N ATOM 1044 CA ASN A 65 5.198 -8.656 -8.863 1.00 0.00 C ATOM 1045 C ASN A 65 5.607 -7.449 -8.030 1.00 0.00 C ATOM 1046 O ASN A 65 6.560 -7.528 -7.261 1.00 0.00 O ATOM 1047 CB ASN A 65 6.438 -9.408 -9.344 1.00 0.00 C ATOM 1048 CG ASN A 65 6.528 -10.799 -8.747 1.00 0.00 C ATOM 1049 OD1 ASN A 65 7.098 -11.709 -9.348 1.00 0.00 O ATOM 1050 ND2 ASN A 65 5.958 -10.973 -7.557 1.00 0.00 N ATOM 0 H ASN A 65 3.392 -8.648 -9.912 1.00 0.00 H new ATOM 0 HA ASN A 65 4.610 -9.313 -8.222 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.418 -9.481 -10.431 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.331 -8.842 -9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.983 -11.889 -7.108 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.496 -10.191 -7.094 1.00 0.00 H new ATOM 1057 N LEU A 66 4.901 -6.332 -8.186 1.00 0.00 N ATOM 1058 CA LEU A 66 5.202 -5.151 -7.387 1.00 0.00 C ATOM 1059 C LEU A 66 4.713 -5.406 -5.972 1.00 0.00 C ATOM 1060 O LEU A 66 5.184 -4.805 -5.006 1.00 0.00 O ATOM 1061 CB LEU A 66 4.527 -3.899 -7.945 1.00 0.00 C ATOM 1062 CG LEU A 66 4.489 -3.782 -9.472 1.00 0.00 C ATOM 1063 CD1 LEU A 66 4.058 -2.384 -9.877 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.843 -4.110 -10.082 1.00 0.00 C ATOM 0 H LEU A 66 4.131 -6.221 -8.846 1.00 0.00 H new ATOM 0 HA LEU A 66 6.277 -4.975 -7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.503 -3.865 -7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.041 -3.024 -7.546 1.00 0.00 H new ATOM 0 HG LEU A 66 3.765 -4.504 -9.849 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.034 -2.311 -10.964 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.065 -2.180 -9.478 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.765 -1.656 -9.480 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.785 -4.018 -11.167 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.592 -3.417 -9.699 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.123 -5.130 -9.818 1.00 0.00 H new ATOM 1076 N VAL A 67 3.748 -6.311 -5.885 1.00 0.00 N ATOM 1077 CA VAL A 67 3.174 -6.718 -4.614 1.00 0.00 C ATOM 1078 C VAL A 67 3.328 -8.229 -4.451 1.00 0.00 C ATOM 1079 O VAL A 67 3.334 -8.965 -5.438 1.00 0.00 O ATOM 1080 CB VAL A 67 1.685 -6.330 -4.517 1.00 0.00 C ATOM 1081 CG1 VAL A 67 0.938 -6.747 -5.764 1.00 0.00 C ATOM 1082 CG2 VAL A 67 1.055 -6.945 -3.280 1.00 0.00 C ATOM 0 H VAL A 67 3.343 -6.782 -6.694 1.00 0.00 H new ATOM 0 HA VAL A 67 3.706 -6.200 -3.816 1.00 0.00 H new ATOM 0 HB VAL A 67 1.619 -5.245 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.110 -6.463 -5.672 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.374 -6.252 -6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.011 -7.827 -5.888 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.004 -6.661 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.135 -8.031 -3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.573 -6.586 -2.391 1.00 0.00 H new ATOM 1092 N LEU A 68 3.451 -8.691 -3.211 1.00 0.00 N ATOM 1093 CA LEU A 68 3.626 -10.119 -2.965 1.00 0.00 C ATOM 1094 C LEU A 68 2.445 -10.699 -2.194 1.00 0.00 C ATOM 1095 O LEU A 68 2.192 -10.305 -1.058 1.00 0.00 O ATOM 1096 CB LEU A 68 4.919 -10.354 -2.177 1.00 0.00 C ATOM 1097 CG LEU A 68 5.644 -11.668 -2.481 1.00 0.00 C ATOM 1098 CD1 LEU A 68 6.972 -11.725 -1.742 1.00 0.00 C ATOM 1099 CD2 LEU A 68 4.777 -12.861 -2.107 1.00 0.00 C ATOM 0 H LEU A 68 3.433 -8.109 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 68 3.683 -10.623 -3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.601 -9.528 -2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.686 -10.325 -1.113 1.00 0.00 H new ATOM 0 HG LEU A 68 5.840 -11.710 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.475 -12.665 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.600 -10.892 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.794 -11.658 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.312 -13.784 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.547 -12.824 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.850 -12.831 -2.679 1.00 0.00 H new ATOM 1111 N ARG A 69 1.734 -11.641 -2.815 1.00 0.00 N ATOM 1112 CA ARG A 69 0.588 -12.276 -2.166 1.00 0.00 C ATOM 1113 C ARG A 69 1.030 -13.486 -1.361 1.00 0.00 C ATOM 1114 O ARG A 69 2.038 -14.119 -1.676 1.00 0.00 O ATOM 1115 CB ARG A 69 -0.461 -12.713 -3.183 1.00 0.00 C ATOM 1116 CG ARG A 69 0.121 -13.432 -4.386 1.00 0.00 C ATOM 1117 CD ARG A 69 -0.929 -14.269 -5.096 1.00 0.00 C ATOM 1118 NE ARG A 69 -0.391 -14.937 -6.279 1.00 0.00 N ATOM 1119 CZ ARG A 69 -1.116 -15.710 -7.084 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -2.404 -15.909 -6.835 1.00 0.00 N ATOM 1121 NH2 ARG A 69 -0.554 -16.282 -8.138 1.00 0.00 N ATOM 0 H ARG A 69 1.929 -11.978 -3.758 1.00 0.00 H new ATOM 0 HA ARG A 69 0.145 -11.534 -1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.180 -13.368 -2.692 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.011 -11.836 -3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.537 -12.703 -5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.943 -14.072 -4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.324 -15.015 -4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.764 -13.632 -5.388 1.00 0.00 H new ATOM 0 HE ARG A 69 0.596 -14.803 -6.500 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.841 -15.469 -6.025 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.957 -16.502 -7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.436 -16.130 -8.334 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.111 -16.874 -8.754 1.00 0.00 H new ATOM 1135 N THR A 70 0.270 -13.805 -0.324 1.00 0.00 N ATOM 1136 CA THR A 70 0.613 -14.937 0.517 1.00 0.00 C ATOM 1137 C THR A 70 -0.527 -15.960 0.596 1.00 0.00 C ATOM 1138 O THR A 70 -1.566 -15.809 -0.049 1.00 0.00 O ATOM 1139 CB THR A 70 1.034 -14.463 1.922 1.00 0.00 C ATOM 1140 OG1 THR A 70 1.876 -13.313 1.797 1.00 0.00 O ATOM 1141 CG2 THR A 70 1.799 -15.540 2.675 1.00 0.00 C ATOM 0 H THR A 70 -0.575 -13.304 -0.049 1.00 0.00 H new ATOM 0 HA THR A 70 1.462 -15.442 0.056 1.00 0.00 H new ATOM 0 HB THR A 70 0.127 -14.228 2.480 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.370 -12.580 1.390 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.078 -15.167 3.660 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.170 -16.423 2.786 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.699 -15.803 2.119 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.297 -16.996 1.391 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.217 -18.118 1.579 1.00 0.00 C ATOM 1151 C HIS A 71 -2.701 -17.789 1.394 1.00 0.00 C ATOM 1152 O HIS A 71 -3.348 -18.396 0.541 1.00 0.00 O ATOM 1153 CB HIS A 71 -1.026 -18.596 3.011 1.00 0.00 C ATOM 1154 CG HIS A 71 -0.481 -19.981 3.134 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -1.179 -21.111 2.761 1.00 0.00 N ATOM 1156 CD2 HIS A 71 0.714 -20.413 3.596 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -0.435 -22.179 2.989 1.00 0.00 C ATOM 1158 NE2 HIS A 71 0.719 -21.782 3.495 1.00 0.00 N ATOM 0 H HIS A 71 0.558 -17.085 1.940 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.979 -18.857 0.814 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.354 -17.908 3.524 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.985 -18.549 3.527 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.516 -19.796 3.974 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.721 -23.202 2.795 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.489 -22.394 3.767 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.210 -16.842 2.199 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.635 -16.443 2.127 1.00 0.00 C ATOM 1169 C GLN A 72 -5.316 -16.787 3.459 1.00 0.00 C ATOM 1170 O GLN A 72 -5.660 -17.950 3.672 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.398 -17.122 0.982 1.00 0.00 C ATOM 1172 CG GLN A 72 -6.841 -16.662 0.857 1.00 0.00 C ATOM 1173 CD GLN A 72 -7.575 -17.354 -0.274 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -8.183 -18.407 -0.083 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -7.523 -16.764 -1.463 1.00 0.00 N ATOM 0 H GLN A 72 -2.667 -16.340 2.902 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.659 -15.371 1.932 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.880 -16.925 0.044 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.381 -18.201 1.135 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.362 -16.853 1.795 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.863 -15.584 0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.007 -15.891 -1.577 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.999 -17.184 -2.262 1.00 0.00 H new ATOM 1184 N PRO A 73 -5.535 -15.817 4.397 1.00 0.00 N ATOM 1185 CA PRO A 73 -5.200 -14.384 4.276 1.00 0.00 C ATOM 1186 C PRO A 73 -3.993 -14.081 3.403 1.00 0.00 C ATOM 1187 O PRO A 73 -2.848 -14.342 3.773 1.00 0.00 O ATOM 1188 CB PRO A 73 -4.922 -14.002 5.723 1.00 0.00 C ATOM 1189 CG PRO A 73 -5.882 -14.827 6.514 1.00 0.00 C ATOM 1190 CD PRO A 73 -6.147 -16.084 5.713 1.00 0.00 C ATOM 0 HA PRO A 73 -6.000 -13.829 3.787 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.890 -14.218 6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.081 -12.937 5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.466 -15.073 7.491 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.808 -14.279 6.690 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.702 -16.959 6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.216 -16.279 5.622 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.281 -13.533 2.229 1.00 0.00 N ATOM 1199 CA ALA A 74 -3.252 -13.202 1.263 1.00 0.00 C ATOM 1200 C ALA A 74 -2.402 -12.047 1.756 1.00 0.00 C ATOM 1201 O ALA A 74 -2.651 -10.891 1.414 1.00 0.00 O ATOM 1202 CB ALA A 74 -3.870 -12.876 -0.088 1.00 0.00 C ATOM 0 H ALA A 74 -5.228 -13.309 1.925 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.606 -14.072 1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.081 -12.630 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.429 -13.739 -0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.543 -12.025 0.016 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.406 -12.363 2.572 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.522 -11.337 3.100 1.00 0.00 C ATOM 1210 C ARG A 75 0.183 -10.637 1.941 1.00 0.00 C ATOM 1211 O ARG A 75 0.730 -11.288 1.054 1.00 0.00 O ATOM 1212 CB ARG A 75 0.491 -11.974 4.058 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.150 -12.918 5.068 1.00 0.00 C ATOM 1214 CD ARG A 75 0.854 -13.907 5.645 1.00 0.00 C ATOM 1215 NE ARG A 75 0.361 -14.532 6.869 1.00 0.00 N ATOM 1216 CZ ARG A 75 1.043 -15.442 7.559 1.00 0.00 C ATOM 1217 NH1 ARG A 75 2.242 -15.831 7.146 1.00 0.00 N ATOM 1218 NH2 ARG A 75 0.525 -15.965 8.662 1.00 0.00 N ATOM 0 H ARG A 75 -1.192 -13.312 2.879 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.097 -10.596 3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.234 -12.522 3.479 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.021 -11.186 4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.592 -12.337 5.877 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.962 -13.465 4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.070 -14.678 4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.792 -13.392 5.853 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.558 -14.255 7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.643 -15.432 6.297 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.763 -16.529 7.677 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.397 -15.670 8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.049 -16.663 9.190 1.00 0.00 H new ATOM 1232 N TYR A 76 0.157 -9.309 1.942 1.00 0.00 N ATOM 1233 CA TYR A 76 0.794 -8.560 0.869 1.00 0.00 C ATOM 1234 C TYR A 76 2.093 -7.921 1.339 1.00 0.00 C ATOM 1235 O TYR A 76 2.202 -7.478 2.479 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.162 -7.501 0.320 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.369 -8.095 -0.373 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.233 -8.780 -1.575 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.640 -7.978 0.175 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.330 -9.331 -2.212 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.741 -8.525 -0.455 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.581 -9.200 -1.647 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.675 -9.749 -2.276 1.00 0.00 O ATOM 0 H TYR A 76 -0.290 -8.739 2.660 1.00 0.00 H new ATOM 0 HA TYR A 76 1.038 -9.257 0.068 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.497 -6.863 1.138 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.376 -6.863 -0.382 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.254 -8.884 -2.019 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.770 -7.451 1.109 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.208 -9.860 -3.145 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.723 -8.425 -0.016 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.481 -9.569 -1.748 1.00 0.00 H new ATOM 1253 N SER A 77 3.072 -7.873 0.445 1.00 0.00 N ATOM 1254 CA SER A 77 4.365 -7.300 0.787 1.00 0.00 C ATOM 1255 C SER A 77 4.970 -6.563 -0.399 1.00 0.00 C ATOM 1256 O SER A 77 4.933 -7.046 -1.531 1.00 0.00 O ATOM 1257 CB SER A 77 5.321 -8.396 1.261 1.00 0.00 C ATOM 1258 OG SER A 77 4.809 -9.058 2.405 1.00 0.00 O ATOM 0 H SER A 77 2.997 -8.220 -0.511 1.00 0.00 H new ATOM 0 HA SER A 77 4.212 -6.583 1.594 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.479 -9.117 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.293 -7.960 1.493 1.00 0.00 H new ATOM 0 HG SER A 77 5.437 -9.755 2.688 1.00 0.00 H new ATOM 1264 N LEU A 78 5.527 -5.391 -0.129 1.00 0.00 N ATOM 1265 CA LEU A 78 6.146 -4.586 -1.172 1.00 0.00 C ATOM 1266 C LEU A 78 7.414 -5.247 -1.698 1.00 0.00 C ATOM 1267 O LEU A 78 8.298 -5.617 -0.925 1.00 0.00 O ATOM 1268 CB LEU A 78 6.504 -3.195 -0.647 1.00 0.00 C ATOM 1269 CG LEU A 78 5.369 -2.173 -0.601 1.00 0.00 C ATOM 1270 CD1 LEU A 78 5.941 -0.785 -0.375 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.552 -2.199 -1.881 1.00 0.00 C ATOM 0 H LEU A 78 5.563 -4.977 0.802 1.00 0.00 H new ATOM 0 HA LEU A 78 5.420 -4.499 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.907 -3.303 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.303 -2.791 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 78 4.706 -2.433 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.130 -0.058 -0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.484 -0.765 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.620 -0.534 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.752 -1.461 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.196 -1.964 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.120 -3.191 -2.017 1.00 0.00 H new ATOM 1283 N THR A 79 7.500 -5.392 -3.014 1.00 0.00 N ATOM 1284 CA THR A 79 8.677 -5.975 -3.632 1.00 0.00 C ATOM 1285 C THR A 79 9.599 -4.844 -4.095 1.00 0.00 C ATOM 1286 O THR A 79 9.274 -3.684 -3.882 1.00 0.00 O ATOM 1287 CB THR A 79 8.265 -6.872 -4.812 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.853 -6.788 -5.000 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.655 -8.322 -4.563 1.00 0.00 C ATOM 0 H THR A 79 6.770 -5.114 -3.670 1.00 0.00 H new ATOM 0 HA THR A 79 9.209 -6.598 -2.913 1.00 0.00 H new ATOM 0 HB THR A 79 8.785 -6.525 -5.705 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.572 -7.446 -5.670 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.351 -8.932 -5.414 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.735 -8.391 -4.434 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.158 -8.683 -3.662 1.00 0.00 H new ATOM 1297 N PRO A 80 10.759 -5.134 -4.717 1.00 0.00 N ATOM 1298 CA PRO A 80 11.678 -4.084 -5.175 1.00 0.00 C ATOM 1299 C PRO A 80 10.979 -2.928 -5.885 1.00 0.00 C ATOM 1300 O PRO A 80 11.209 -1.764 -5.559 1.00 0.00 O ATOM 1301 CB PRO A 80 12.574 -4.834 -6.153 1.00 0.00 C ATOM 1302 CG PRO A 80 12.650 -6.211 -5.594 1.00 0.00 C ATOM 1303 CD PRO A 80 11.300 -6.484 -4.988 1.00 0.00 C ATOM 0 HA PRO A 80 12.198 -3.612 -4.341 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.153 -4.835 -7.159 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.561 -4.376 -6.221 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.883 -6.937 -6.373 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.437 -6.285 -4.844 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.660 -7.042 -5.671 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.383 -7.073 -4.075 1.00 0.00 H new ATOM 1311 N GLU A 81 10.126 -3.246 -6.847 1.00 0.00 N ATOM 1312 CA GLU A 81 9.414 -2.218 -7.594 1.00 0.00 C ATOM 1313 C GLU A 81 8.366 -1.517 -6.730 1.00 0.00 C ATOM 1314 O GLU A 81 8.262 -0.291 -6.750 1.00 0.00 O ATOM 1315 CB GLU A 81 8.757 -2.827 -8.830 1.00 0.00 C ATOM 1316 CG GLU A 81 9.749 -3.447 -9.801 1.00 0.00 C ATOM 1317 CD GLU A 81 9.078 -4.018 -11.035 1.00 0.00 C ATOM 1318 OE1 GLU A 81 8.911 -3.269 -12.020 1.00 0.00 O ATOM 1319 OE2 GLU A 81 8.720 -5.214 -11.017 1.00 0.00 O ATOM 0 H GLU A 81 9.910 -4.202 -7.128 1.00 0.00 H new ATOM 0 HA GLU A 81 10.142 -1.469 -7.905 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.045 -3.589 -8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.189 -2.054 -9.348 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.476 -2.693 -10.103 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.302 -4.238 -9.294 1.00 0.00 H new ATOM 1326 N GLY A 82 7.588 -2.292 -5.978 1.00 0.00 N ATOM 1327 CA GLY A 82 6.571 -1.693 -5.127 1.00 0.00 C ATOM 1328 C GLY A 82 7.176 -0.834 -4.038 1.00 0.00 C ATOM 1329 O GLY A 82 6.556 0.118 -3.571 1.00 0.00 O ATOM 0 H GLY A 82 7.641 -3.310 -5.941 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.900 -1.087 -5.736 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.968 -2.480 -4.675 1.00 0.00 H new ATOM 1333 N LEU A 83 8.392 -1.179 -3.636 1.00 0.00 N ATOM 1334 CA LEU A 83 9.098 -0.439 -2.601 1.00 0.00 C ATOM 1335 C LEU A 83 9.512 0.918 -3.136 1.00 0.00 C ATOM 1336 O LEU A 83 9.286 1.948 -2.502 1.00 0.00 O ATOM 1337 CB LEU A 83 10.337 -1.208 -2.142 1.00 0.00 C ATOM 1338 CG LEU A 83 10.585 -1.222 -0.629 1.00 0.00 C ATOM 1339 CD1 LEU A 83 10.685 0.191 -0.078 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.483 -1.984 0.087 1.00 0.00 C ATOM 0 H LEU A 83 8.912 -1.971 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 83 8.431 -0.309 -1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.252 -2.238 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.211 -0.779 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 83 11.534 -1.727 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.861 0.151 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.511 0.713 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.755 0.724 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.677 -1.983 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.523 -1.505 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.457 -3.012 -0.275 1.00 0.00 H new ATOM 1352 N GLU A 84 10.125 0.904 -4.314 1.00 0.00 N ATOM 1353 CA GLU A 84 10.569 2.137 -4.950 1.00 0.00 C ATOM 1354 C GLU A 84 9.374 3.009 -5.280 1.00 0.00 C ATOM 1355 O GLU A 84 9.310 4.169 -4.886 1.00 0.00 O ATOM 1356 CB GLU A 84 11.353 1.843 -6.230 1.00 0.00 C ATOM 1357 CG GLU A 84 12.605 1.019 -6.003 1.00 0.00 C ATOM 1358 CD GLU A 84 13.375 0.760 -7.283 1.00 0.00 C ATOM 1359 OE1 GLU A 84 13.093 -0.258 -7.949 1.00 0.00 O ATOM 1360 OE2 GLU A 84 14.260 1.574 -7.619 1.00 0.00 O ATOM 0 H GLU A 84 10.325 0.057 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 84 11.224 2.660 -4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.704 1.316 -6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.630 2.786 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.251 1.536 -5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.331 0.066 -5.550 1.00 0.00 H new ATOM 1367 N LEU A 85 8.423 2.422 -5.995 1.00 0.00 N ATOM 1368 CA LEU A 85 7.224 3.144 -6.383 1.00 0.00 C ATOM 1369 C LEU A 85 6.559 3.760 -5.159 1.00 0.00 C ATOM 1370 O LEU A 85 6.269 4.953 -5.135 1.00 0.00 O ATOM 1371 CB LEU A 85 6.256 2.195 -7.098 1.00 0.00 C ATOM 1372 CG LEU A 85 5.056 2.861 -7.778 1.00 0.00 C ATOM 1373 CD1 LEU A 85 4.542 1.992 -8.916 1.00 0.00 C ATOM 1374 CD2 LEU A 85 3.944 3.119 -6.772 1.00 0.00 C ATOM 0 H LEU A 85 8.460 1.454 -6.315 1.00 0.00 H new ATOM 0 HA LEU A 85 7.498 3.948 -7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.813 1.636 -7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.884 1.471 -6.373 1.00 0.00 H new ATOM 0 HG LEU A 85 5.382 3.818 -8.186 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.689 2.479 -9.389 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.333 1.851 -9.652 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.234 1.023 -8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.101 3.593 -7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.622 2.174 -6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.312 3.776 -5.984 1.00 0.00 H new ATOM 1386 N ALA A 86 6.349 2.942 -4.133 1.00 0.00 N ATOM 1387 CA ALA A 86 5.715 3.411 -2.905 1.00 0.00 C ATOM 1388 C ALA A 86 6.559 4.481 -2.227 1.00 0.00 C ATOM 1389 O ALA A 86 6.028 5.408 -1.615 1.00 0.00 O ATOM 1390 CB ALA A 86 5.465 2.252 -1.955 1.00 0.00 C ATOM 0 H ALA A 86 6.607 1.955 -4.126 1.00 0.00 H new ATOM 0 HA ALA A 86 4.756 3.855 -3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.992 2.622 -1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.810 1.524 -2.434 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.413 1.777 -1.703 1.00 0.00 H new ATOM 1396 N GLN A 87 7.876 4.344 -2.335 1.00 0.00 N ATOM 1397 CA GLN A 87 8.784 5.310 -1.738 1.00 0.00 C ATOM 1398 C GLN A 87 8.508 6.682 -2.332 1.00 0.00 C ATOM 1399 O GLN A 87 8.625 7.708 -1.663 1.00 0.00 O ATOM 1400 CB GLN A 87 10.238 4.905 -1.997 1.00 0.00 C ATOM 1401 CG GLN A 87 11.194 5.323 -0.893 1.00 0.00 C ATOM 1402 CD GLN A 87 12.643 5.055 -1.246 1.00 0.00 C ATOM 1403 OE1 GLN A 87 13.173 3.980 -0.963 1.00 0.00 O ATOM 1404 NE2 GLN A 87 13.293 6.033 -1.865 1.00 0.00 N ATOM 0 H GLN A 87 8.334 3.577 -2.828 1.00 0.00 H new ATOM 0 HA GLN A 87 8.625 5.339 -0.660 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.288 3.823 -2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.567 5.347 -2.937 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.064 6.386 -0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.942 4.788 0.023 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.814 6.908 -2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.271 5.910 -2.126 1.00 0.00 H new ATOM 1413 N LYS A 88 8.137 6.672 -3.605 1.00 0.00 N ATOM 1414 CA LYS A 88 7.822 7.899 -4.318 1.00 0.00 C ATOM 1415 C LYS A 88 6.492 8.475 -3.850 1.00 0.00 C ATOM 1416 O LYS A 88 6.383 9.667 -3.568 1.00 0.00 O ATOM 1417 CB LYS A 88 7.778 7.612 -5.813 1.00 0.00 C ATOM 1418 CG LYS A 88 8.984 6.821 -6.293 1.00 0.00 C ATOM 1419 CD LYS A 88 8.882 6.445 -7.761 1.00 0.00 C ATOM 1420 CE LYS A 88 10.015 5.515 -8.167 1.00 0.00 C ATOM 1421 NZ LYS A 88 11.340 6.190 -8.098 1.00 0.00 N ATOM 0 H LYS A 88 8.047 5.824 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 88 8.596 8.638 -4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.869 7.058 -6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.726 8.554 -6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.888 7.409 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.083 5.915 -5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.924 5.961 -7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.910 7.346 -8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.018 4.641 -7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.843 5.155 -9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 12.075 5.551 -8.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.319 7.056 -8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.554 6.435 -7.110 1.00 0.00 H new ATOM 1435 N LEU A 89 5.476 7.620 -3.783 1.00 0.00 N ATOM 1436 CA LEU A 89 4.164 8.044 -3.329 1.00 0.00 C ATOM 1437 C LEU A 89 4.270 8.645 -1.937 1.00 0.00 C ATOM 1438 O LEU A 89 3.469 9.492 -1.542 1.00 0.00 O ATOM 1439 CB LEU A 89 3.223 6.842 -3.306 1.00 0.00 C ATOM 1440 CG LEU A 89 2.645 6.431 -4.661 1.00 0.00 C ATOM 1441 CD1 LEU A 89 3.718 6.371 -5.735 1.00 0.00 C ATOM 1442 CD2 LEU A 89 1.949 5.088 -4.543 1.00 0.00 C ATOM 0 H LEU A 89 5.539 6.634 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 89 3.770 8.798 -4.010 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.759 5.991 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.397 7.063 -2.630 1.00 0.00 H new ATOM 0 HG LEU A 89 1.921 7.190 -4.958 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.268 6.076 -6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.180 7.352 -5.843 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.477 5.642 -5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.541 4.803 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.665 4.334 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.140 5.160 -3.816 1.00 0.00 H new ATOM 1454 N ALA A 90 5.276 8.189 -1.204 1.00 0.00 N ATOM 1455 CA ALA A 90 5.511 8.660 0.154 1.00 0.00 C ATOM 1456 C ALA A 90 5.960 10.117 0.162 1.00 0.00 C ATOM 1457 O ALA A 90 5.630 10.873 1.075 1.00 0.00 O ATOM 1458 CB ALA A 90 6.545 7.780 0.838 1.00 0.00 C ATOM 0 H ALA A 90 5.945 7.491 -1.528 1.00 0.00 H new ATOM 0 HA ALA A 90 4.572 8.598 0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.715 8.140 1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.183 6.753 0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.480 7.816 0.279 1.00 0.00 H new ATOM 1464 N GLU A 91 6.713 10.501 -0.862 1.00 0.00 N ATOM 1465 CA GLU A 91 7.203 11.871 -0.973 1.00 0.00 C ATOM 1466 C GLU A 91 6.039 12.847 -0.895 1.00 0.00 C ATOM 1467 O GLU A 91 6.111 13.877 -0.222 1.00 0.00 O ATOM 1468 CB GLU A 91 7.949 12.070 -2.289 1.00 0.00 C ATOM 1469 CG GLU A 91 8.891 10.932 -2.614 1.00 0.00 C ATOM 1470 CD GLU A 91 9.556 11.089 -3.968 1.00 0.00 C ATOM 1471 OE1 GLU A 91 8.933 10.712 -4.982 1.00 0.00 O ATOM 1472 OE2 GLU A 91 10.699 11.590 -4.012 1.00 0.00 O ATOM 0 H GLU A 91 6.997 9.886 -1.625 1.00 0.00 H new ATOM 0 HA GLU A 91 7.890 12.058 -0.148 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.226 12.177 -3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.515 13.000 -2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.658 10.870 -1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.340 9.992 -2.592 1.00 0.00 H new ATOM 1479 N SER A 92 4.969 12.504 -1.598 1.00 0.00 N ATOM 1480 CA SER A 92 3.773 13.330 -1.624 1.00 0.00 C ATOM 1481 C SER A 92 3.180 13.486 -0.225 1.00 0.00 C ATOM 1482 O SER A 92 2.617 14.531 0.105 1.00 0.00 O ATOM 1483 CB SER A 92 2.747 12.706 -2.566 1.00 0.00 C ATOM 1484 OG SER A 92 1.577 13.500 -2.653 1.00 0.00 O ATOM 0 H SER A 92 4.906 11.655 -2.160 1.00 0.00 H new ATOM 0 HA SER A 92 4.043 14.323 -1.983 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.184 12.590 -3.558 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.486 11.708 -2.213 1.00 0.00 H new ATOM 0 HG SER A 92 0.939 13.076 -3.264 1.00 0.00 H new ATOM 1490 N GLU A 93 3.310 12.446 0.593 1.00 0.00 N ATOM 1491 CA GLU A 93 2.789 12.478 1.953 1.00 0.00 C ATOM 1492 C GLU A 93 3.847 13.004 2.909 1.00 0.00 C ATOM 1493 O GLU A 93 3.635 13.058 4.120 1.00 0.00 O ATOM 1494 CB GLU A 93 2.382 11.071 2.387 1.00 0.00 C ATOM 1495 CG GLU A 93 1.597 10.305 1.339 1.00 0.00 C ATOM 1496 CD GLU A 93 0.202 10.862 1.129 1.00 0.00 C ATOM 1497 OE1 GLU A 93 0.042 11.753 0.269 1.00 0.00 O ATOM 1498 OE2 GLU A 93 -0.730 10.406 1.825 1.00 0.00 O ATOM 0 H GLU A 93 3.771 11.573 0.337 1.00 0.00 H new ATOM 0 HA GLU A 93 1.921 13.136 1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.279 10.506 2.639 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.784 11.141 3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.140 10.330 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.525 9.259 1.637 1.00 0.00 H new ATOM 1505 N GLY A 94 4.988 13.392 2.352 1.00 0.00 N ATOM 1506 CA GLY A 94 6.067 13.868 3.191 1.00 0.00 C ATOM 1507 C GLY A 94 6.754 12.705 3.870 1.00 0.00 C ATOM 1508 O GLY A 94 7.677 12.883 4.665 1.00 0.00 O ATOM 0 H GLY A 94 5.182 13.386 1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.786 14.424 2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.678 14.557 3.940 1.00 0.00 H new ATOM 1512 N LEU A 95 6.276 11.504 3.543 1.00 0.00 N ATOM 1513 CA LEU A 95 6.816 10.274 4.100 1.00 0.00 C ATOM 1514 C LEU A 95 6.568 10.214 5.602 1.00 0.00 C ATOM 1515 O LEU A 95 7.275 9.527 6.338 1.00 0.00 O ATOM 1516 CB LEU A 95 8.309 10.158 3.796 1.00 0.00 C ATOM 1517 CG LEU A 95 8.777 8.776 3.323 1.00 0.00 C ATOM 1518 CD1 LEU A 95 10.286 8.648 3.457 1.00 0.00 C ATOM 1519 CD2 LEU A 95 8.071 7.669 4.093 1.00 0.00 C ATOM 0 H LEU A 95 5.508 11.362 2.888 1.00 0.00 H new ATOM 0 HA LEU A 95 6.305 9.431 3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.565 10.891 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.867 10.425 4.693 1.00 0.00 H new ATOM 0 HG LEU A 95 8.516 8.672 2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.599 7.661 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.771 9.412 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.571 8.779 4.501 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.421 6.699 3.739 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.291 7.768 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.995 7.746 3.937 1.00 0.00 H new ATOM 1531 N SER A 96 5.548 10.940 6.042 1.00 0.00 N ATOM 1532 CA SER A 96 5.186 10.979 7.452 1.00 0.00 C ATOM 1533 C SER A 96 3.951 10.126 7.718 1.00 0.00 C ATOM 1534 O SER A 96 3.140 10.443 8.588 1.00 0.00 O ATOM 1535 CB SER A 96 4.928 12.423 7.887 1.00 0.00 C ATOM 1536 OG SER A 96 6.096 13.215 7.748 1.00 0.00 O ATOM 0 H SER A 96 4.955 11.511 5.440 1.00 0.00 H new ATOM 0 HA SER A 96 6.016 10.573 8.031 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.123 12.848 7.287 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.595 12.439 8.925 1.00 0.00 H new ATOM 0 HG SER A 96 5.904 14.133 8.031 1.00 0.00 H new ATOM 1542 N LEU A 97 3.823 9.035 6.972 1.00 0.00 N ATOM 1543 CA LEU A 97 2.683 8.142 7.125 1.00 0.00 C ATOM 1544 C LEU A 97 2.707 7.451 8.485 1.00 0.00 C ATOM 1545 O LEU A 97 2.037 7.888 9.420 1.00 0.00 O ATOM 1546 CB LEU A 97 2.658 7.098 6.003 1.00 0.00 C ATOM 1547 CG LEU A 97 2.488 7.657 4.588 1.00 0.00 C ATOM 1548 CD1 LEU A 97 3.768 8.330 4.111 1.00 0.00 C ATOM 1549 CD2 LEU A 97 2.075 6.552 3.627 1.00 0.00 C ATOM 0 H LEU A 97 4.493 8.749 6.258 1.00 0.00 H new ATOM 0 HA LEU A 97 1.777 8.745 7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.586 6.527 6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.845 6.399 6.199 1.00 0.00 H new ATOM 0 HG LEU A 97 1.700 8.410 4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.621 8.719 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.020 9.150 4.783 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.581 7.603 4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.958 6.966 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.841 5.777 3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.129 6.120 3.954 1.00 0.00 H new