USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 732 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 117 GLN : amide:sc= 1.02 K(o=2.9,f=1.6) USER MOD Set 1.2: A 121 SER OG : rot 61:sc= 1.89 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.925 K(o=-0.93,f=-3.8!) USER MOD Single : A 8 SER OG : rot 42:sc= 0.619 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -133:sc= -0.626 (180deg=-1.94!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= 0.71 (180deg=0.13) USER MOD Single : A 26 TYR OH : rot -76:sc= 2.6 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0426 USER MOD Single : A 31 SER OG : rot -40:sc= 0.133 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -3.08! C(o=-3.1!,f=-3.5!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.13) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -6.78! K(o=-6.8!,f=-1.4) USER MOD Single : A 47 SER OG : rot 180:sc= -0.167 USER MOD Single : A 48 THR OG1 : rot 79:sc= -1.78 USER MOD Single : A 49 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.003) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 156:sc= -11.9! (180deg=-13!) USER MOD Single : A 58 THR OG1 : rot -67:sc= -2.76! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -74:sc= 0.0359 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -56:sc= 1.2 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc=-0.00939 USER MOD Single : A 103 HIS : no HD1:sc= -9.35! C(o=-9.3!,f=-9.6!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -1.39 K(o=-1.4,f=-13!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 -12.297 -11.613 12.640 1.00 0.00 N ATOM 38 CA ILE A 3 -11.970 -10.278 13.118 1.00 0.00 C ATOM 39 C ILE A 3 -11.828 -9.300 11.953 1.00 0.00 C ATOM 40 O ILE A 3 -11.157 -9.598 10.965 1.00 0.00 O ATOM 41 CB ILE A 3 -10.664 -10.274 13.936 1.00 0.00 C ATOM 42 CG1 ILE A 3 -10.660 -11.429 14.940 1.00 0.00 C ATOM 43 CG2 ILE A 3 -10.492 -8.943 14.651 1.00 0.00 C ATOM 44 CD1 ILE A 3 -11.737 -11.317 15.995 1.00 0.00 C ATOM 0 HA ILE A 3 -12.792 -9.963 13.761 1.00 0.00 H new ATOM 0 HB ILE A 3 -9.825 -10.409 13.253 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.787 -12.368 14.401 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.687 -11.471 15.429 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.565 -8.955 15.225 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.454 -8.138 13.917 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.333 -8.780 15.325 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.674 -12.169 16.671 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.599 -10.395 16.559 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.716 -11.306 15.516 1.00 0.00 H new ATOM 56 N PRO A 4 -12.461 -8.117 12.045 1.00 0.00 N ATOM 57 CA PRO A 4 -12.395 -7.106 10.986 1.00 0.00 C ATOM 58 C PRO A 4 -10.969 -6.646 10.708 1.00 0.00 C ATOM 59 O PRO A 4 -10.241 -6.252 11.618 1.00 0.00 O ATOM 60 CB PRO A 4 -13.231 -5.941 11.534 1.00 0.00 C ATOM 61 CG PRO A 4 -14.087 -6.542 12.594 1.00 0.00 C ATOM 62 CD PRO A 4 -13.289 -7.672 13.180 1.00 0.00 C ATOM 0 HA PRO A 4 -12.761 -7.498 10.037 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.594 -5.156 11.940 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -13.836 -5.487 10.749 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.338 -5.805 13.357 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -15.027 -6.903 12.178 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -12.678 -7.341 14.020 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -13.932 -8.471 13.548 1.00 0.00 H new ATOM 70 N ILE A 5 -10.584 -6.695 9.438 1.00 0.00 N ATOM 71 CA ILE A 5 -9.248 -6.278 9.024 1.00 0.00 C ATOM 72 C ILE A 5 -9.237 -4.808 8.605 1.00 0.00 C ATOM 73 O ILE A 5 -8.187 -4.164 8.593 1.00 0.00 O ATOM 74 CB ILE A 5 -8.723 -7.141 7.861 1.00 0.00 C ATOM 75 CG1 ILE A 5 -8.889 -8.626 8.186 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.266 -6.815 7.574 1.00 0.00 C ATOM 77 CD1 ILE A 5 -8.042 -9.090 9.352 1.00 0.00 C ATOM 0 H ILE A 5 -11.179 -7.020 8.675 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.593 -6.412 9.885 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.306 -6.916 6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.937 -8.826 8.407 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.632 -9.213 7.304 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.910 -7.433 6.750 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.175 -5.763 7.304 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.667 -7.015 8.462 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.211 -10.153 9.525 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.989 -8.922 9.126 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.315 -8.529 10.246 1.00 0.00 H new ATOM 89 N LYS A 6 -10.416 -4.282 8.280 1.00 0.00 N ATOM 90 CA LYS A 6 -10.567 -2.886 7.878 1.00 0.00 C ATOM 91 C LYS A 6 -12.009 -2.626 7.506 1.00 0.00 C ATOM 92 O LYS A 6 -12.480 -3.104 6.492 1.00 0.00 O ATOM 93 CB LYS A 6 -9.682 -2.544 6.670 1.00 0.00 C ATOM 94 CG LYS A 6 -8.762 -1.352 6.879 1.00 0.00 C ATOM 95 CD LYS A 6 -7.939 -1.471 8.154 1.00 0.00 C ATOM 96 CE LYS A 6 -7.620 -0.104 8.739 1.00 0.00 C ATOM 97 NZ LYS A 6 -7.684 -0.110 10.226 1.00 0.00 N ATOM 0 H LYS A 6 -11.289 -4.809 8.288 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.262 -2.263 8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.076 -3.415 6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.323 -2.346 5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.092 -1.260 6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.357 -0.440 6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.486 -2.064 8.888 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.012 -2.003 7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.625 0.205 8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.323 0.632 8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.461 0.839 10.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.641 -0.380 10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.995 -0.794 10.600 1.00 0.00 H new ATOM 111 N GLN A 7 -12.705 -1.858 8.310 1.00 0.00 N ATOM 112 CA GLN A 7 -14.096 -1.546 8.019 1.00 0.00 C ATOM 113 C GLN A 7 -14.338 -0.047 8.126 1.00 0.00 C ATOM 114 O GLN A 7 -14.318 0.519 9.220 1.00 0.00 O ATOM 115 CB GLN A 7 -15.025 -2.302 8.969 1.00 0.00 C ATOM 116 CG GLN A 7 -14.831 -1.933 10.432 1.00 0.00 C ATOM 117 CD GLN A 7 -15.015 -3.117 11.361 1.00 0.00 C ATOM 118 OE1 GLN A 7 -14.214 -3.338 12.270 1.00 0.00 O ATOM 119 NE2 GLN A 7 -16.073 -3.886 11.136 1.00 0.00 N ATOM 0 H GLN A 7 -12.341 -1.438 9.165 1.00 0.00 H new ATOM 0 HA GLN A 7 -14.313 -1.862 6.998 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -16.059 -2.104 8.687 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -14.861 -3.373 8.848 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.832 -1.520 10.569 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -15.539 -1.150 10.702 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -16.711 -3.665 10.371 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -16.249 -4.698 11.728 1.00 0.00 H new ATOM 128 N SER A 8 -14.559 0.592 6.986 1.00 0.00 N ATOM 129 CA SER A 8 -14.794 2.029 6.957 1.00 0.00 C ATOM 130 C SER A 8 -15.387 2.464 5.621 1.00 0.00 C ATOM 131 O SER A 8 -15.693 1.634 4.765 1.00 0.00 O ATOM 132 CB SER A 8 -13.490 2.785 7.219 1.00 0.00 C ATOM 133 OG SER A 8 -13.365 3.127 8.589 1.00 0.00 O ATOM 0 H SER A 8 -14.581 0.140 6.072 1.00 0.00 H new ATOM 0 HA SER A 8 -15.511 2.267 7.743 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.642 2.170 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.462 3.689 6.611 1.00 0.00 H new ATOM 0 HG SER A 8 -13.659 2.374 9.142 1.00 0.00 H new ATOM 139 N PHE A 9 -15.548 3.772 5.453 1.00 0.00 N ATOM 140 CA PHE A 9 -16.107 4.322 4.225 1.00 0.00 C ATOM 141 C PHE A 9 -15.045 4.430 3.139 1.00 0.00 C ATOM 142 O PHE A 9 -13.944 4.928 3.375 1.00 0.00 O ATOM 143 CB PHE A 9 -16.717 5.701 4.489 1.00 0.00 C ATOM 144 CG PHE A 9 -17.529 5.768 5.750 1.00 0.00 C ATOM 145 CD1 PHE A 9 -18.408 4.749 6.077 1.00 0.00 C ATOM 146 CD2 PHE A 9 -17.410 6.849 6.608 1.00 0.00 C ATOM 147 CE1 PHE A 9 -19.158 4.809 7.237 1.00 0.00 C ATOM 148 CE2 PHE A 9 -18.157 6.914 7.769 1.00 0.00 C ATOM 149 CZ PHE A 9 -19.032 5.892 8.084 1.00 0.00 C ATOM 0 H PHE A 9 -15.299 4.471 6.153 1.00 0.00 H new ATOM 0 HA PHE A 9 -16.887 3.643 3.880 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -15.916 6.439 4.543 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -17.349 5.977 3.645 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -18.509 3.899 5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -16.726 7.650 6.367 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -19.842 4.009 7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -18.057 7.763 8.429 1.00 0.00 H new ATOM 0 HZ PHE A 9 -19.616 5.940 8.991 1.00 0.00 H new ATOM 159 N LEU A 10 -15.389 3.967 1.943 1.00 0.00 N ATOM 160 CA LEU A 10 -14.475 4.014 0.810 1.00 0.00 C ATOM 161 C LEU A 10 -15.136 4.702 -0.375 1.00 0.00 C ATOM 162 O LEU A 10 -16.356 4.659 -0.524 1.00 0.00 O ATOM 163 CB LEU A 10 -14.048 2.602 0.406 1.00 0.00 C ATOM 164 CG LEU A 10 -12.783 2.082 1.088 1.00 0.00 C ATOM 165 CD1 LEU A 10 -13.111 1.528 2.465 1.00 0.00 C ATOM 166 CD2 LEU A 10 -12.115 1.015 0.230 1.00 0.00 C ATOM 0 H LEU A 10 -16.298 3.554 1.733 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.593 4.581 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -14.867 1.916 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.894 2.581 -0.673 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.089 2.914 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.199 1.162 2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.547 2.316 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.823 0.708 2.367 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.216 0.656 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.804 0.184 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.846 1.441 -0.737 1.00 0.00 H new ATOM 178 N LEU A 11 -14.328 5.322 -1.222 1.00 0.00 N ATOM 179 CA LEU A 11 -14.851 5.997 -2.402 1.00 0.00 C ATOM 180 C LEU A 11 -14.891 5.026 -3.577 1.00 0.00 C ATOM 181 O LEU A 11 -13.956 4.255 -3.780 1.00 0.00 O ATOM 182 CB LEU A 11 -13.998 7.220 -2.746 1.00 0.00 C ATOM 183 CG LEU A 11 -14.728 8.564 -2.677 1.00 0.00 C ATOM 184 CD1 LEU A 11 -15.410 8.733 -1.329 1.00 0.00 C ATOM 185 CD2 LEU A 11 -13.761 9.711 -2.936 1.00 0.00 C ATOM 0 H LEU A 11 -13.315 5.372 -1.116 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.864 6.340 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.146 7.252 -2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.598 7.093 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.494 8.579 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.923 9.694 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -16.133 7.930 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.663 8.696 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.298 10.658 -2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.972 9.698 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.320 9.599 -3.927 1.00 0.00 H new ATOM 197 N LYS A 12 -15.978 5.057 -4.342 1.00 0.00 N ATOM 198 CA LYS A 12 -16.124 4.162 -5.487 1.00 0.00 C ATOM 199 C LYS A 12 -16.431 4.942 -6.762 1.00 0.00 C ATOM 200 O LYS A 12 -17.374 5.730 -6.809 1.00 0.00 O ATOM 201 CB LYS A 12 -17.231 3.140 -5.223 1.00 0.00 C ATOM 202 CG LYS A 12 -16.945 1.768 -5.812 1.00 0.00 C ATOM 203 CD LYS A 12 -17.059 1.775 -7.330 1.00 0.00 C ATOM 204 CE LYS A 12 -15.772 1.305 -7.988 1.00 0.00 C ATOM 205 NZ LYS A 12 -15.992 0.871 -9.396 1.00 0.00 N ATOM 0 H LYS A 12 -16.766 5.687 -4.192 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.178 3.639 -5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.374 3.042 -4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.167 3.516 -5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -15.944 1.449 -5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.643 1.041 -5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.882 1.130 -7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.298 2.782 -7.673 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.039 2.111 -7.967 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.353 0.478 -7.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.090 0.558 -9.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.672 0.085 -9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.368 1.667 -9.950 1.00 0.00 H new ATOM 219 N ARG A 13 -15.627 4.707 -7.798 1.00 0.00 N ATOM 220 CA ARG A 13 -15.807 5.380 -9.082 1.00 0.00 C ATOM 221 C ARG A 13 -17.266 5.331 -9.528 1.00 0.00 C ATOM 222 O ARG A 13 -17.984 4.375 -9.234 1.00 0.00 O ATOM 223 CB ARG A 13 -14.922 4.732 -10.150 1.00 0.00 C ATOM 224 CG ARG A 13 -13.459 4.617 -9.752 1.00 0.00 C ATOM 225 CD ARG A 13 -12.600 4.186 -10.931 1.00 0.00 C ATOM 226 NE ARG A 13 -11.245 4.728 -10.856 1.00 0.00 N ATOM 227 CZ ARG A 13 -10.570 5.203 -11.902 1.00 0.00 C ATOM 228 NH1 ARG A 13 -11.107 5.192 -13.117 1.00 0.00 N ATOM 229 NH2 ARG A 13 -9.346 5.686 -11.733 1.00 0.00 N ATOM 0 H ARG A 13 -14.844 4.054 -7.772 1.00 0.00 H new ATOM 0 HA ARG A 13 -15.517 6.423 -8.956 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -15.307 3.737 -10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -14.994 5.314 -11.069 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.106 5.576 -9.373 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.356 3.896 -8.941 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.552 3.098 -10.965 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.069 4.513 -11.859 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.787 4.744 -9.945 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.045 4.817 -13.256 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.581 5.558 -13.910 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.924 5.693 -10.804 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.827 6.050 -12.532 1.00 0.00 H new ATOM 319 N LYS A 20 -13.572 11.137 -13.567 1.00 0.00 N ATOM 320 CA LYS A 20 -13.832 10.287 -12.410 1.00 0.00 C ATOM 321 C LYS A 20 -14.719 10.999 -11.390 1.00 0.00 C ATOM 322 O LYS A 20 -14.686 12.223 -11.263 1.00 0.00 O ATOM 323 CB LYS A 20 -12.514 9.858 -11.755 1.00 0.00 C ATOM 324 CG LYS A 20 -12.155 8.396 -11.990 1.00 0.00 C ATOM 325 CD LYS A 20 -13.304 7.469 -11.629 1.00 0.00 C ATOM 326 CE LYS A 20 -14.031 6.966 -12.869 1.00 0.00 C ATOM 327 NZ LYS A 20 -15.496 7.227 -12.800 1.00 0.00 N ATOM 0 HA LYS A 20 -14.360 9.399 -12.759 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.709 10.486 -12.137 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -12.577 10.038 -10.682 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -11.886 8.251 -13.036 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.278 8.137 -11.396 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.923 6.620 -11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.007 7.995 -10.983 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.617 7.451 -13.753 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.858 5.896 -12.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.015 6.366 -13.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.755 7.500 -11.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.743 7.997 -13.454 1.00 0.00 H new ATOM 341 N GLU A 21 -15.503 10.213 -10.663 1.00 0.00 N ATOM 342 CA GLU A 21 -16.400 10.734 -9.644 1.00 0.00 C ATOM 343 C GLU A 21 -16.726 9.635 -8.645 1.00 0.00 C ATOM 344 O GLU A 21 -17.591 8.793 -8.884 1.00 0.00 O ATOM 345 CB GLU A 21 -17.684 11.278 -10.276 1.00 0.00 C ATOM 346 CG GLU A 21 -18.577 12.021 -9.298 1.00 0.00 C ATOM 347 CD GLU A 21 -19.943 12.332 -9.875 1.00 0.00 C ATOM 348 OE1 GLU A 21 -20.004 12.877 -10.997 1.00 0.00 O ATOM 349 OE2 GLU A 21 -20.954 12.030 -9.204 1.00 0.00 O ATOM 0 H GLU A 21 -15.534 9.198 -10.764 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.906 11.556 -9.127 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.420 11.948 -11.095 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.245 10.450 -10.709 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.696 11.423 -8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.091 12.951 -9.003 1.00 0.00 H new ATOM 356 N TRP A 22 -15.999 9.639 -7.541 1.00 0.00 N ATOM 357 CA TRP A 22 -16.169 8.634 -6.501 1.00 0.00 C ATOM 358 C TRP A 22 -17.223 9.057 -5.484 1.00 0.00 C ATOM 359 O TRP A 22 -17.260 10.209 -5.053 1.00 0.00 O ATOM 360 CB TRP A 22 -14.832 8.378 -5.799 1.00 0.00 C ATOM 361 CG TRP A 22 -13.679 8.212 -6.746 1.00 0.00 C ATOM 362 CD1 TRP A 22 -13.242 9.114 -7.674 1.00 0.00 C ATOM 363 CD2 TRP A 22 -12.814 7.075 -6.856 1.00 0.00 C ATOM 364 NE1 TRP A 22 -12.167 8.604 -8.359 1.00 0.00 N ATOM 365 CE2 TRP A 22 -11.885 7.355 -7.875 1.00 0.00 C ATOM 366 CE3 TRP A 22 -12.734 5.844 -6.196 1.00 0.00 C ATOM 367 CZ2 TRP A 22 -10.895 6.454 -8.245 1.00 0.00 C ATOM 368 CZ3 TRP A 22 -11.745 4.952 -6.568 1.00 0.00 C ATOM 369 CH2 TRP A 22 -10.843 5.263 -7.580 1.00 0.00 C ATOM 0 H TRP A 22 -15.279 10.333 -7.339 1.00 0.00 H new ATOM 0 HA TRP A 22 -16.512 7.714 -6.974 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -14.621 9.207 -5.124 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -14.919 7.482 -5.185 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -13.679 10.087 -7.844 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -11.661 9.078 -9.107 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -13.432 5.595 -5.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.192 6.687 -9.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -11.672 3.999 -6.065 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -10.082 4.544 -7.846 1.00 0.00 H new ATOM 380 N LYS A 23 -18.076 8.111 -5.104 1.00 0.00 N ATOM 381 CA LYS A 23 -19.131 8.374 -4.134 1.00 0.00 C ATOM 382 C LYS A 23 -18.831 7.674 -2.812 1.00 0.00 C ATOM 383 O LYS A 23 -18.034 6.738 -2.762 1.00 0.00 O ATOM 384 CB LYS A 23 -20.481 7.908 -4.680 1.00 0.00 C ATOM 385 CG LYS A 23 -21.119 8.893 -5.650 1.00 0.00 C ATOM 386 CD LYS A 23 -22.493 9.345 -5.175 1.00 0.00 C ATOM 387 CE LYS A 23 -23.565 9.068 -6.219 1.00 0.00 C ATOM 388 NZ LYS A 23 -23.890 10.282 -7.018 1.00 0.00 N ATOM 0 H LYS A 23 -18.056 7.153 -5.455 1.00 0.00 H new ATOM 0 HA LYS A 23 -19.174 9.449 -3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.349 6.950 -5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.162 7.739 -3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -20.470 9.761 -5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -21.208 8.429 -6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.746 8.831 -4.248 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -22.469 10.412 -4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -23.226 8.275 -6.886 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -24.467 8.706 -5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -24.624 10.051 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -24.238 11.031 -6.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -23.035 10.613 -7.510 1.00 0.00 H new ATOM 402 N LYS A 24 -19.469 8.137 -1.743 1.00 0.00 N ATOM 403 CA LYS A 24 -19.264 7.554 -0.421 1.00 0.00 C ATOM 404 C LYS A 24 -19.760 6.112 -0.374 1.00 0.00 C ATOM 405 O LYS A 24 -20.948 5.845 -0.559 1.00 0.00 O ATOM 406 CB LYS A 24 -19.976 8.391 0.643 1.00 0.00 C ATOM 407 CG LYS A 24 -19.032 9.241 1.479 1.00 0.00 C ATOM 408 CD LYS A 24 -18.276 8.398 2.494 1.00 0.00 C ATOM 409 CE LYS A 24 -18.147 9.115 3.830 1.00 0.00 C ATOM 410 NZ LYS A 24 -16.765 9.621 4.056 1.00 0.00 N ATOM 0 H LYS A 24 -20.131 8.913 -1.765 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.194 7.552 -0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -20.703 9.041 0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -20.534 7.727 1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -18.323 9.749 0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.599 10.015 1.997 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.793 7.449 2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.284 8.165 2.108 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -18.849 9.948 3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.421 8.434 4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.718 10.103 4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.098 8.823 4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.513 10.291 3.301 1.00 0.00 H new ATOM 424 N LYS A 25 -18.841 5.186 -0.118 1.00 0.00 N ATOM 425 CA LYS A 25 -19.178 3.769 -0.038 1.00 0.00 C ATOM 426 C LYS A 25 -18.841 3.215 1.344 1.00 0.00 C ATOM 427 O LYS A 25 -18.302 3.926 2.192 1.00 0.00 O ATOM 428 CB LYS A 25 -18.431 2.983 -1.119 1.00 0.00 C ATOM 429 CG LYS A 25 -19.341 2.141 -1.997 1.00 0.00 C ATOM 430 CD LYS A 25 -19.687 2.861 -3.294 1.00 0.00 C ATOM 431 CE LYS A 25 -21.135 3.327 -3.310 1.00 0.00 C ATOM 432 NZ LYS A 25 -21.239 4.812 -3.334 1.00 0.00 N ATOM 0 H LYS A 25 -17.854 5.393 0.038 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.250 3.660 -0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -17.878 3.681 -1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -17.697 2.333 -0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.854 1.193 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.257 1.906 -1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -19.027 3.719 -3.421 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.510 2.195 -4.138 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.640 2.913 -4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.651 2.941 -2.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.154 5.089 -3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -21.167 5.181 -2.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -20.469 5.205 -3.912 1.00 0.00 H new ATOM 446 N TYR A 26 -19.168 1.948 1.567 1.00 0.00 N ATOM 447 CA TYR A 26 -18.905 1.303 2.849 1.00 0.00 C ATOM 448 C TYR A 26 -18.322 -0.092 2.638 1.00 0.00 C ATOM 449 O TYR A 26 -18.986 -0.971 2.095 1.00 0.00 O ATOM 450 CB TYR A 26 -20.202 1.226 3.657 1.00 0.00 C ATOM 451 CG TYR A 26 -20.035 0.688 5.059 1.00 0.00 C ATOM 452 CD1 TYR A 26 -20.025 -0.679 5.303 1.00 0.00 C ATOM 453 CD2 TYR A 26 -19.900 1.549 6.139 1.00 0.00 C ATOM 454 CE1 TYR A 26 -19.883 -1.172 6.585 1.00 0.00 C ATOM 455 CE2 TYR A 26 -19.759 1.064 7.425 1.00 0.00 C ATOM 456 CZ TYR A 26 -19.750 -0.297 7.643 1.00 0.00 C ATOM 457 OH TYR A 26 -19.610 -0.784 8.922 1.00 0.00 O ATOM 0 H TYR A 26 -19.616 1.346 0.877 1.00 0.00 H new ATOM 0 HA TYR A 26 -18.174 1.893 3.402 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -20.640 2.223 3.713 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -20.912 0.596 3.122 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -20.130 -1.367 4.477 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -19.905 2.616 5.971 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -19.876 -2.238 6.759 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.656 1.748 8.255 1.00 0.00 H new ATOM 0 HH TYR A 26 -20.480 -1.091 9.252 1.00 0.00 H new ATOM 467 N VAL A 27 -17.076 -0.290 3.059 1.00 0.00 N ATOM 468 CA VAL A 27 -16.417 -1.586 2.891 1.00 0.00 C ATOM 469 C VAL A 27 -15.940 -2.155 4.214 1.00 0.00 C ATOM 470 O VAL A 27 -15.535 -1.416 5.112 1.00 0.00 O ATOM 471 CB VAL A 27 -15.188 -1.498 1.959 1.00 0.00 C ATOM 472 CG1 VAL A 27 -14.908 -2.851 1.322 1.00 0.00 C ATOM 473 CG2 VAL A 27 -15.388 -0.437 0.888 1.00 0.00 C ATOM 0 H VAL A 27 -16.505 0.422 3.515 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.173 -2.236 2.451 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.327 -1.210 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.039 -2.773 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.710 -3.586 2.102 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.774 -3.165 0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.508 -0.397 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -16.263 -0.686 0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.537 0.534 1.361 1.00 0.00 H new ATOM 483 N THR A 28 -15.948 -3.478 4.311 1.00 0.00 N ATOM 484 CA THR A 28 -15.472 -4.150 5.507 1.00 0.00 C ATOM 485 C THR A 28 -14.652 -5.384 5.152 1.00 0.00 C ATOM 486 O THR A 28 -15.188 -6.392 4.688 1.00 0.00 O ATOM 487 CB THR A 28 -16.618 -4.553 6.432 1.00 0.00 C ATOM 488 OG1 THR A 28 -17.350 -3.416 6.855 1.00 0.00 O ATOM 489 CG2 THR A 28 -16.134 -5.283 7.673 1.00 0.00 C ATOM 0 H THR A 28 -16.279 -4.104 3.576 1.00 0.00 H new ATOM 0 HA THR A 28 -14.840 -3.435 6.034 1.00 0.00 H new ATOM 0 HB THR A 28 -17.250 -5.223 5.849 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.080 -3.698 7.445 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.988 -5.547 8.296 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.606 -6.190 7.379 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.460 -4.637 8.236 1.00 0.00 H new ATOM 497 N LEU A 29 -13.358 -5.301 5.407 1.00 0.00 N ATOM 498 CA LEU A 29 -12.453 -6.403 5.165 1.00 0.00 C ATOM 499 C LEU A 29 -12.405 -7.261 6.414 1.00 0.00 C ATOM 500 O LEU A 29 -11.990 -6.794 7.471 1.00 0.00 O ATOM 501 CB LEU A 29 -11.054 -5.887 4.832 1.00 0.00 C ATOM 502 CG LEU A 29 -10.419 -6.508 3.594 1.00 0.00 C ATOM 503 CD1 LEU A 29 -10.284 -8.011 3.767 1.00 0.00 C ATOM 504 CD2 LEU A 29 -11.238 -6.182 2.355 1.00 0.00 C ATOM 0 H LEU A 29 -12.909 -4.468 5.787 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.806 -6.989 4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.104 -4.807 4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.403 -6.069 5.687 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.423 -6.085 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.829 -8.441 2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.656 -8.223 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.270 -8.450 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.770 -6.633 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.247 -6.578 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.285 -5.101 2.224 1.00 0.00 H new ATOM 516 N SER A 30 -12.857 -8.500 6.301 1.00 0.00 N ATOM 517 CA SER A 30 -12.885 -9.402 7.444 1.00 0.00 C ATOM 518 C SER A 30 -11.779 -10.440 7.358 1.00 0.00 C ATOM 519 O SER A 30 -11.227 -10.693 6.287 1.00 0.00 O ATOM 520 CB SER A 30 -14.244 -10.096 7.539 1.00 0.00 C ATOM 521 OG SER A 30 -14.190 -11.205 8.419 1.00 0.00 O ATOM 0 H SER A 30 -13.209 -8.904 5.433 1.00 0.00 H new ATOM 0 HA SER A 30 -12.722 -8.806 8.342 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.994 -9.387 7.888 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.556 -10.428 6.549 1.00 0.00 H new ATOM 0 HG SER A 30 -15.072 -11.630 8.464 1.00 0.00 H new ATOM 527 N SER A 31 -11.466 -11.047 8.498 1.00 0.00 N ATOM 528 CA SER A 31 -10.430 -12.069 8.554 1.00 0.00 C ATOM 529 C SER A 31 -10.940 -13.405 8.003 1.00 0.00 C ATOM 530 O SER A 31 -10.211 -14.397 7.989 1.00 0.00 O ATOM 531 CB SER A 31 -9.940 -12.256 9.991 1.00 0.00 C ATOM 532 OG SER A 31 -8.682 -12.907 10.021 1.00 0.00 O ATOM 0 H SER A 31 -11.914 -10.849 9.393 1.00 0.00 H new ATOM 0 HA SER A 31 -9.599 -11.734 7.933 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.862 -11.285 10.481 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.668 -12.840 10.554 1.00 0.00 H new ATOM 0 HG SER A 31 -8.664 -13.615 9.344 1.00 0.00 H new ATOM 538 N ASN A 32 -12.196 -13.424 7.548 1.00 0.00 N ATOM 539 CA ASN A 32 -12.800 -14.634 6.997 1.00 0.00 C ATOM 540 C ASN A 32 -12.560 -14.737 5.498 1.00 0.00 C ATOM 541 O ASN A 32 -13.339 -15.359 4.776 1.00 0.00 O ATOM 542 CB ASN A 32 -14.301 -14.658 7.289 1.00 0.00 C ATOM 543 CG ASN A 32 -14.805 -16.055 7.602 1.00 0.00 C ATOM 544 OD1 ASN A 32 -14.580 -16.580 8.693 1.00 0.00 O ATOM 545 ND2 ASN A 32 -15.492 -16.664 6.642 1.00 0.00 N ATOM 0 H ASN A 32 -12.813 -12.612 7.552 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.328 -15.491 7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.516 -14.000 8.131 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.842 -14.263 6.429 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.857 -17.604 6.794 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.655 -16.191 5.753 1.00 0.00 H new ATOM 552 N GLY A 33 -11.482 -14.118 5.031 1.00 0.00 N ATOM 553 CA GLY A 33 -11.168 -14.148 3.617 1.00 0.00 C ATOM 554 C GLY A 33 -12.333 -13.672 2.778 1.00 0.00 C ATOM 555 O GLY A 33 -12.627 -14.240 1.726 1.00 0.00 O ATOM 0 H GLY A 33 -10.821 -13.597 5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.299 -13.520 3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.899 -15.163 3.325 1.00 0.00 H new ATOM 559 N PHE A 34 -13.003 -12.630 3.255 1.00 0.00 N ATOM 560 CA PHE A 34 -14.152 -12.080 2.552 1.00 0.00 C ATOM 561 C PHE A 34 -14.136 -10.556 2.565 1.00 0.00 C ATOM 562 O PHE A 34 -14.011 -9.933 3.619 1.00 0.00 O ATOM 563 CB PHE A 34 -15.446 -12.589 3.188 1.00 0.00 C ATOM 564 CG PHE A 34 -16.352 -13.277 2.214 1.00 0.00 C ATOM 565 CD1 PHE A 34 -15.866 -14.273 1.387 1.00 0.00 C ATOM 566 CD2 PHE A 34 -17.688 -12.926 2.126 1.00 0.00 C ATOM 567 CE1 PHE A 34 -16.696 -14.911 0.486 1.00 0.00 C ATOM 568 CE2 PHE A 34 -18.524 -13.559 1.227 1.00 0.00 C ATOM 569 CZ PHE A 34 -18.028 -14.554 0.406 1.00 0.00 C ATOM 0 H PHE A 34 -12.770 -12.151 4.125 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.099 -12.410 1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -15.200 -13.279 3.995 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -15.977 -11.750 3.637 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.825 -14.555 1.446 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -18.080 -12.150 2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.304 -15.687 -0.155 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -19.565 -13.277 1.166 1.00 0.00 H new ATOM 0 HZ PHE A 34 -18.680 -15.051 -0.297 1.00 0.00 H new ATOM 579 N LEU A 35 -14.279 -9.968 1.386 1.00 0.00 N ATOM 580 CA LEU A 35 -14.299 -8.519 1.249 1.00 0.00 C ATOM 581 C LEU A 35 -15.719 -8.057 0.928 1.00 0.00 C ATOM 582 O LEU A 35 -16.281 -8.427 -0.102 1.00 0.00 O ATOM 583 CB LEU A 35 -13.320 -8.086 0.151 1.00 0.00 C ATOM 584 CG LEU A 35 -13.621 -6.743 -0.519 1.00 0.00 C ATOM 585 CD1 LEU A 35 -13.840 -5.654 0.525 1.00 0.00 C ATOM 586 CD2 LEU A 35 -12.495 -6.358 -1.466 1.00 0.00 C ATOM 0 H LEU A 35 -14.383 -10.475 0.507 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.987 -8.057 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.319 -8.040 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.302 -8.858 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.539 -6.847 -1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.052 -4.709 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.682 -5.925 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.943 -5.549 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.725 -5.401 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.563 -6.274 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.390 -7.122 -2.236 1.00 0.00 H new ATOM 598 N LEU A 36 -16.305 -7.266 1.823 1.00 0.00 N ATOM 599 CA LEU A 36 -17.670 -6.788 1.624 1.00 0.00 C ATOM 600 C LEU A 36 -17.720 -5.283 1.385 1.00 0.00 C ATOM 601 O LEU A 36 -16.958 -4.521 1.978 1.00 0.00 O ATOM 602 CB LEU A 36 -18.537 -7.145 2.834 1.00 0.00 C ATOM 603 CG LEU A 36 -18.258 -8.520 3.448 1.00 0.00 C ATOM 604 CD1 LEU A 36 -17.483 -8.378 4.750 1.00 0.00 C ATOM 605 CD2 LEU A 36 -19.559 -9.275 3.680 1.00 0.00 C ATOM 0 H LEU A 36 -15.862 -6.945 2.684 1.00 0.00 H new ATOM 0 HA LEU A 36 -18.059 -7.281 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.393 -6.385 3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.585 -7.103 2.536 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.649 -9.091 2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.295 -9.366 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.534 -7.879 4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -18.065 -7.787 5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.341 -10.250 4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.193 -8.706 4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -20.076 -9.410 2.730 1.00 0.00 H new ATOM 617 N TYR A 37 -18.638 -4.866 0.517 1.00 0.00 N ATOM 618 CA TYR A 37 -18.812 -3.454 0.198 1.00 0.00 C ATOM 619 C TYR A 37 -20.272 -3.161 -0.145 1.00 0.00 C ATOM 620 O TYR A 37 -20.884 -3.859 -0.957 1.00 0.00 O ATOM 621 CB TYR A 37 -17.866 -3.039 -0.944 1.00 0.00 C ATOM 622 CG TYR A 37 -18.532 -2.810 -2.288 1.00 0.00 C ATOM 623 CD1 TYR A 37 -19.137 -1.596 -2.590 1.00 0.00 C ATOM 624 CD2 TYR A 37 -18.539 -3.803 -3.258 1.00 0.00 C ATOM 625 CE1 TYR A 37 -19.732 -1.383 -3.821 1.00 0.00 C ATOM 626 CE2 TYR A 37 -19.131 -3.600 -4.488 1.00 0.00 C ATOM 627 CZ TYR A 37 -19.725 -2.388 -4.766 1.00 0.00 C ATOM 628 OH TYR A 37 -20.316 -2.178 -5.992 1.00 0.00 O ATOM 0 H TYR A 37 -19.275 -5.490 0.021 1.00 0.00 H new ATOM 0 HA TYR A 37 -18.552 -2.860 1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.351 -2.124 -0.652 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -17.105 -3.810 -1.061 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -19.143 -0.807 -1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.072 -4.753 -3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -20.200 -0.435 -4.041 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -19.129 -4.386 -5.228 1.00 0.00 H new ATOM 0 HH TYR A 37 -20.223 -2.984 -6.542 1.00 0.00 H new ATOM 638 N HIS A 38 -20.825 -2.132 0.489 1.00 0.00 N ATOM 639 CA HIS A 38 -22.213 -1.748 0.266 1.00 0.00 C ATOM 640 C HIS A 38 -22.302 -0.320 -0.266 1.00 0.00 C ATOM 641 O HIS A 38 -21.395 0.488 -0.061 1.00 0.00 O ATOM 642 CB HIS A 38 -23.022 -1.862 1.564 1.00 0.00 C ATOM 643 CG HIS A 38 -22.622 -3.011 2.444 1.00 0.00 C ATOM 644 ND1 HIS A 38 -21.340 -3.193 2.917 1.00 0.00 N ATOM 645 CD2 HIS A 38 -23.353 -4.038 2.941 1.00 0.00 C ATOM 646 CE1 HIS A 38 -21.299 -4.284 3.664 1.00 0.00 C ATOM 647 NE2 HIS A 38 -22.507 -4.813 3.696 1.00 0.00 N ATOM 0 H HIS A 38 -20.331 -1.548 1.163 1.00 0.00 H new ATOM 0 HA HIS A 38 -22.631 -2.429 -0.476 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -22.916 -0.935 2.127 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -24.078 -1.963 1.312 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -24.405 -4.214 2.774 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -20.425 -4.675 4.163 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -22.770 -5.660 4.200 1.00 0.00 H new ATOM 656 N PRO A 39 -23.406 0.008 -0.960 1.00 0.00 N ATOM 657 CA PRO A 39 -23.620 1.343 -1.526 1.00 0.00 C ATOM 658 C PRO A 39 -23.425 2.454 -0.498 1.00 0.00 C ATOM 659 O PRO A 39 -23.045 3.573 -0.843 1.00 0.00 O ATOM 660 CB PRO A 39 -25.076 1.302 -1.994 1.00 0.00 C ATOM 661 CG PRO A 39 -25.352 -0.139 -2.249 1.00 0.00 C ATOM 662 CD PRO A 39 -24.531 -0.902 -1.248 1.00 0.00 C ATOM 0 HA PRO A 39 -22.906 1.564 -2.320 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.747 1.705 -1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -25.219 1.898 -2.895 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.413 -0.360 -2.132 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -25.079 -0.414 -3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.104 -1.129 -0.349 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.185 -1.852 -1.654 1.00 0.00 H new ATOM 670 N SER A 40 -23.687 2.142 0.768 1.00 0.00 N ATOM 671 CA SER A 40 -23.539 3.120 1.841 1.00 0.00 C ATOM 672 C SER A 40 -23.720 2.468 3.207 1.00 0.00 C ATOM 673 O SER A 40 -23.863 1.248 3.311 1.00 0.00 O ATOM 674 CB SER A 40 -24.550 4.254 1.667 1.00 0.00 C ATOM 675 OG SER A 40 -23.996 5.497 2.060 1.00 0.00 O ATOM 0 H SER A 40 -24.002 1.222 1.075 1.00 0.00 H new ATOM 0 HA SER A 40 -22.530 3.528 1.787 1.00 0.00 H new ATOM 0 HB2 SER A 40 -24.866 4.307 0.625 1.00 0.00 H new ATOM 0 HB3 SER A 40 -25.440 4.046 2.260 1.00 0.00 H new ATOM 0 HG SER A 40 -24.662 6.205 1.937 1.00 0.00 H new ATOM 681 N ILE A 41 -23.715 3.286 4.256 1.00 0.00 N ATOM 682 CA ILE A 41 -23.879 2.788 5.616 1.00 0.00 C ATOM 683 C ILE A 41 -25.257 2.156 5.802 1.00 0.00 C ATOM 684 O ILE A 41 -25.378 1.079 6.380 1.00 0.00 O ATOM 685 CB ILE A 41 -23.668 3.911 6.656 1.00 0.00 C ATOM 686 CG1 ILE A 41 -22.194 4.312 6.700 1.00 0.00 C ATOM 687 CG2 ILE A 41 -24.139 3.472 8.038 1.00 0.00 C ATOM 688 CD1 ILE A 41 -21.786 5.247 5.584 1.00 0.00 C ATOM 0 H ILE A 41 -23.599 4.297 4.189 1.00 0.00 H new ATOM 0 HA ILE A 41 -23.118 2.025 5.777 1.00 0.00 H new ATOM 0 HB ILE A 41 -24.263 4.773 6.356 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -21.985 4.790 7.657 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -21.580 3.413 6.652 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -23.979 4.281 8.751 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -25.200 3.227 8.000 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -23.575 2.594 8.353 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -20.727 5.488 5.680 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -21.963 4.765 4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -22.374 6.163 5.644 1.00 0.00 H new ATOM 700 N ASN A 42 -26.293 2.822 5.298 1.00 0.00 N ATOM 701 CA ASN A 42 -27.655 2.305 5.404 1.00 0.00 C ATOM 702 C ASN A 42 -27.712 0.865 4.892 1.00 0.00 C ATOM 703 O ASN A 42 -28.526 0.060 5.339 1.00 0.00 O ATOM 704 CB ASN A 42 -28.621 3.180 4.604 1.00 0.00 C ATOM 705 CG ASN A 42 -28.437 4.656 4.892 1.00 0.00 C ATOM 706 OD1 ASN A 42 -28.435 5.080 6.048 1.00 0.00 O ATOM 707 ND2 ASN A 42 -28.281 5.451 3.839 1.00 0.00 N ATOM 0 H ASN A 42 -26.216 3.717 4.814 1.00 0.00 H new ATOM 0 HA ASN A 42 -27.952 2.322 6.453 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -28.474 2.999 3.539 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -29.646 2.892 4.837 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -28.153 6.454 3.972 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -28.289 5.058 2.898 1.00 0.00 H new ATOM 714 N ASP A 43 -26.833 0.546 3.951 1.00 0.00 N ATOM 715 CA ASP A 43 -26.778 -0.795 3.390 1.00 0.00 C ATOM 716 C ASP A 43 -26.088 -1.758 4.352 1.00 0.00 C ATOM 717 O ASP A 43 -26.501 -2.906 4.492 1.00 0.00 O ATOM 718 CB ASP A 43 -26.052 -0.777 2.044 1.00 0.00 C ATOM 719 CG ASP A 43 -26.692 0.180 1.057 1.00 0.00 C ATOM 720 OD1 ASP A 43 -26.712 1.397 1.340 1.00 0.00 O ATOM 721 OD2 ASP A 43 -27.173 -0.285 0.003 1.00 0.00 O ATOM 0 H ASP A 43 -26.151 1.197 3.562 1.00 0.00 H new ATOM 0 HA ASP A 43 -27.799 -1.143 3.234 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.011 -0.493 2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -26.049 -1.782 1.622 1.00 0.00 H new ATOM 726 N TYR A 44 -25.043 -1.280 5.021 1.00 0.00 N ATOM 727 CA TYR A 44 -24.305 -2.098 5.979 1.00 0.00 C ATOM 728 C TYR A 44 -25.155 -2.347 7.224 1.00 0.00 C ATOM 729 O TYR A 44 -25.328 -3.485 7.662 1.00 0.00 O ATOM 730 CB TYR A 44 -22.983 -1.407 6.351 1.00 0.00 C ATOM 731 CG TYR A 44 -22.619 -1.493 7.820 1.00 0.00 C ATOM 732 CD1 TYR A 44 -22.049 -2.645 8.348 1.00 0.00 C ATOM 733 CD2 TYR A 44 -22.845 -0.423 8.677 1.00 0.00 C ATOM 734 CE1 TYR A 44 -21.716 -2.727 9.686 1.00 0.00 C ATOM 735 CE2 TYR A 44 -22.515 -0.499 10.015 1.00 0.00 C ATOM 736 CZ TYR A 44 -21.950 -1.653 10.516 1.00 0.00 C ATOM 737 OH TYR A 44 -21.620 -1.731 11.848 1.00 0.00 O ATOM 0 H TYR A 44 -24.688 -0.330 4.917 1.00 0.00 H new ATOM 0 HA TYR A 44 -24.075 -3.061 5.523 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -22.179 -1.850 5.764 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -23.044 -0.357 6.066 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -21.863 -3.490 7.702 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -23.286 0.483 8.290 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -21.274 -3.630 10.080 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -22.699 0.342 10.667 1.00 0.00 H new ATOM 0 HH TYR A 44 -21.849 -0.888 12.292 1.00 0.00 H new ATOM 747 N ILE A 45 -25.678 -1.264 7.780 1.00 0.00 N ATOM 748 CA ILE A 45 -26.517 -1.321 8.969 1.00 0.00 C ATOM 749 C ILE A 45 -27.755 -2.175 8.730 1.00 0.00 C ATOM 750 O ILE A 45 -27.976 -3.189 9.391 1.00 0.00 O ATOM 751 CB ILE A 45 -26.960 0.108 9.374 1.00 0.00 C ATOM 752 CG1 ILE A 45 -25.840 0.816 10.135 1.00 0.00 C ATOM 753 CG2 ILE A 45 -28.244 0.093 10.201 1.00 0.00 C ATOM 754 CD1 ILE A 45 -26.017 2.317 10.198 1.00 0.00 C ATOM 0 H ILE A 45 -25.533 -0.321 7.420 1.00 0.00 H new ATOM 0 HA ILE A 45 -25.930 -1.771 9.769 1.00 0.00 H new ATOM 0 HB ILE A 45 -27.170 0.660 8.458 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -25.792 0.420 11.149 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -24.886 0.589 9.659 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -28.519 1.114 10.464 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -29.046 -0.361 9.619 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -28.084 -0.485 11.111 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -25.188 2.758 10.752 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -26.035 2.724 9.187 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -26.955 2.552 10.701 1.00 0.00 H new ATOM 766 N HIS A 46 -28.566 -1.722 7.792 1.00 0.00 N ATOM 767 CA HIS A 46 -29.814 -2.379 7.440 1.00 0.00 C ATOM 768 C HIS A 46 -29.588 -3.670 6.656 1.00 0.00 C ATOM 769 O HIS A 46 -30.433 -4.566 6.668 1.00 0.00 O ATOM 770 CB HIS A 46 -30.688 -1.393 6.667 1.00 0.00 C ATOM 771 CG HIS A 46 -30.752 -0.050 7.338 1.00 0.00 C ATOM 772 ND1 HIS A 46 -31.874 0.425 7.981 1.00 0.00 N ATOM 773 CD2 HIS A 46 -29.802 0.906 7.503 1.00 0.00 C ATOM 774 CE1 HIS A 46 -31.605 1.607 8.510 1.00 0.00 C ATOM 775 NE2 HIS A 46 -30.360 1.919 8.232 1.00 0.00 N ATOM 0 H HIS A 46 -28.377 -0.881 7.248 1.00 0.00 H new ATOM 0 HA HIS A 46 -30.326 -2.676 8.355 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -30.295 -1.275 5.657 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -31.695 -1.799 6.572 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -28.790 0.872 7.127 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -32.295 2.215 9.077 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -29.886 2.777 8.514 1.00 0.00 H new ATOM 784 N SER A 47 -28.445 -3.766 5.977 1.00 0.00 N ATOM 785 CA SER A 47 -28.112 -4.957 5.194 1.00 0.00 C ATOM 786 C SER A 47 -28.883 -4.987 3.879 1.00 0.00 C ATOM 787 O SER A 47 -29.813 -5.778 3.710 1.00 0.00 O ATOM 788 CB SER A 47 -28.398 -6.231 5.998 1.00 0.00 C ATOM 789 OG SER A 47 -28.073 -6.055 7.366 1.00 0.00 O ATOM 0 H SER A 47 -27.735 -3.035 5.953 1.00 0.00 H new ATOM 0 HA SER A 47 -27.047 -4.914 4.966 1.00 0.00 H new ATOM 0 HB2 SER A 47 -29.451 -6.496 5.902 1.00 0.00 H new ATOM 0 HB3 SER A 47 -27.822 -7.060 5.588 1.00 0.00 H new ATOM 0 HG SER A 47 -28.266 -6.881 7.857 1.00 0.00 H new ATOM 795 N THR A 48 -28.487 -4.126 2.947 1.00 0.00 N ATOM 796 CA THR A 48 -29.136 -4.061 1.644 1.00 0.00 C ATOM 797 C THR A 48 -28.144 -4.372 0.528 1.00 0.00 C ATOM 798 O THR A 48 -27.166 -3.649 0.332 1.00 0.00 O ATOM 799 CB THR A 48 -29.758 -2.683 1.420 1.00 0.00 C ATOM 800 OG1 THR A 48 -28.756 -1.687 1.330 1.00 0.00 O ATOM 801 CG2 THR A 48 -30.714 -2.276 2.519 1.00 0.00 C ATOM 0 H THR A 48 -27.720 -3.465 3.070 1.00 0.00 H new ATOM 0 HA THR A 48 -29.927 -4.811 1.626 1.00 0.00 H new ATOM 0 HB THR A 48 -30.315 -2.765 0.486 1.00 0.00 H new ATOM 0 HG1 THR A 48 -28.352 -1.709 0.437 1.00 0.00 H new ATOM 0 HG21 THR A 48 -31.121 -1.289 2.300 1.00 0.00 H new ATOM 0 HG22 THR A 48 -31.528 -2.999 2.579 1.00 0.00 H new ATOM 0 HG23 THR A 48 -30.183 -2.247 3.471 1.00 0.00 H new ATOM 809 N HIS A 49 -28.403 -5.457 -0.195 1.00 0.00 N ATOM 810 CA HIS A 49 -27.540 -5.887 -1.294 1.00 0.00 C ATOM 811 C HIS A 49 -26.287 -6.561 -0.754 1.00 0.00 C ATOM 812 O HIS A 49 -26.020 -7.729 -1.036 1.00 0.00 O ATOM 813 CB HIS A 49 -27.159 -4.700 -2.186 1.00 0.00 C ATOM 814 CG HIS A 49 -27.438 -4.929 -3.638 1.00 0.00 C ATOM 815 ND1 HIS A 49 -27.867 -3.934 -4.489 1.00 0.00 N ATOM 816 CD2 HIS A 49 -27.347 -6.052 -4.391 1.00 0.00 C ATOM 817 CE1 HIS A 49 -28.028 -4.432 -5.703 1.00 0.00 C ATOM 818 NE2 HIS A 49 -27.718 -5.715 -5.669 1.00 0.00 N ATOM 0 H HIS A 49 -29.210 -6.060 -0.039 1.00 0.00 H new ATOM 0 HA HIS A 49 -28.094 -6.606 -1.897 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -27.705 -3.817 -1.854 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -26.098 -4.485 -2.058 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -27.040 -7.029 -4.049 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -28.357 -3.883 -6.573 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -27.749 -6.353 -6.464 1.00 0.00 H new ATOM 827 N GLY A 50 -25.529 -5.812 0.033 1.00 0.00 N ATOM 828 CA GLY A 50 -24.308 -6.331 0.624 1.00 0.00 C ATOM 829 C GLY A 50 -23.442 -7.087 -0.364 1.00 0.00 C ATOM 830 O GLY A 50 -23.574 -8.301 -0.514 1.00 0.00 O ATOM 0 H GLY A 50 -25.739 -4.844 0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -23.734 -5.504 1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -24.565 -6.992 1.452 1.00 0.00 H new ATOM 834 N LYS A 51 -22.549 -6.369 -1.036 1.00 0.00 N ATOM 835 CA LYS A 51 -21.656 -6.985 -2.009 1.00 0.00 C ATOM 836 C LYS A 51 -20.497 -7.685 -1.305 1.00 0.00 C ATOM 837 O LYS A 51 -19.972 -7.187 -0.311 1.00 0.00 O ATOM 838 CB LYS A 51 -21.115 -5.932 -2.979 1.00 0.00 C ATOM 839 CG LYS A 51 -20.814 -6.482 -4.365 1.00 0.00 C ATOM 840 CD LYS A 51 -21.824 -5.996 -5.393 1.00 0.00 C ATOM 841 CE LYS A 51 -21.984 -6.993 -6.531 1.00 0.00 C ATOM 842 NZ LYS A 51 -21.811 -6.347 -7.863 1.00 0.00 N ATOM 0 H LYS A 51 -22.425 -5.363 -0.925 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.224 -7.726 -2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.841 -5.124 -3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.205 -5.499 -2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.812 -6.179 -4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.821 -7.572 -4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.788 -5.836 -4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.504 -5.034 -5.793 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.253 -7.794 -6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.971 -7.452 -6.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.927 -7.059 -8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.525 -5.600 -7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -20.860 -5.931 -7.926 1.00 0.00 H new ATOM 856 N GLU A 52 -20.106 -8.845 -1.826 1.00 0.00 N ATOM 857 CA GLU A 52 -19.009 -9.612 -1.242 1.00 0.00 C ATOM 858 C GLU A 52 -18.151 -10.246 -2.327 1.00 0.00 C ATOM 859 O GLU A 52 -18.664 -10.821 -3.287 1.00 0.00 O ATOM 860 CB GLU A 52 -19.553 -10.693 -0.305 1.00 0.00 C ATOM 861 CG GLU A 52 -20.441 -11.712 -1.004 1.00 0.00 C ATOM 862 CD GLU A 52 -21.766 -11.122 -1.446 1.00 0.00 C ATOM 863 OE1 GLU A 52 -22.613 -10.844 -0.571 1.00 0.00 O ATOM 864 OE2 GLU A 52 -21.957 -10.942 -2.667 1.00 0.00 O ATOM 0 H GLU A 52 -20.531 -9.273 -2.649 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.386 -8.926 -0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.716 -11.212 0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -20.120 -10.217 0.495 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -19.917 -12.111 -1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -20.626 -12.550 -0.331 1.00 0.00 H new ATOM 871 N MET A 53 -16.840 -10.132 -2.162 1.00 0.00 N ATOM 872 CA MET A 53 -15.894 -10.685 -3.118 1.00 0.00 C ATOM 873 C MET A 53 -14.959 -11.677 -2.430 1.00 0.00 C ATOM 874 O MET A 53 -14.268 -11.328 -1.472 1.00 0.00 O ATOM 875 CB MET A 53 -15.092 -9.553 -3.769 1.00 0.00 C ATOM 876 CG MET A 53 -13.748 -9.990 -4.332 1.00 0.00 C ATOM 877 SD MET A 53 -13.289 -9.109 -5.832 1.00 0.00 S ATOM 878 CE MET A 53 -14.045 -7.523 -5.515 1.00 0.00 C ATOM 0 H MET A 53 -16.407 -9.658 -1.369 1.00 0.00 H new ATOM 0 HA MET A 53 -16.445 -11.218 -3.893 1.00 0.00 H new ATOM 0 HB2 MET A 53 -15.686 -9.116 -4.572 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.927 -8.768 -3.031 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.977 -9.835 -3.577 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.779 -11.059 -4.541 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.532 -6.754 -6.092 1.00 0.00 H new ATOM 0 HE2 MET A 53 -15.095 -7.556 -5.807 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.971 -7.290 -4.453 1.00 0.00 H new ATOM 888 N ASP A 54 -14.940 -12.911 -2.923 1.00 0.00 N ATOM 889 CA ASP A 54 -14.084 -13.946 -2.354 1.00 0.00 C ATOM 890 C ASP A 54 -12.623 -13.513 -2.397 1.00 0.00 C ATOM 891 O ASP A 54 -12.116 -13.111 -3.444 1.00 0.00 O ATOM 892 CB ASP A 54 -14.264 -15.262 -3.112 1.00 0.00 C ATOM 893 CG ASP A 54 -14.044 -15.105 -4.603 1.00 0.00 C ATOM 894 OD1 ASP A 54 -14.652 -14.193 -5.202 1.00 0.00 O ATOM 895 OD2 ASP A 54 -13.262 -15.893 -5.176 1.00 0.00 O ATOM 0 H ASP A 54 -15.506 -13.218 -3.714 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.373 -14.097 -1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.566 -16.002 -2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.269 -15.646 -2.934 1.00 0.00 H new ATOM 900 N LEU A 55 -11.953 -13.588 -1.253 1.00 0.00 N ATOM 901 CA LEU A 55 -10.553 -13.191 -1.161 1.00 0.00 C ATOM 902 C LEU A 55 -9.612 -14.369 -1.407 1.00 0.00 C ATOM 903 O LEU A 55 -8.445 -14.326 -1.021 1.00 0.00 O ATOM 904 CB LEU A 55 -10.270 -12.582 0.211 1.00 0.00 C ATOM 905 CG LEU A 55 -10.506 -11.074 0.314 1.00 0.00 C ATOM 906 CD1 LEU A 55 -10.735 -10.666 1.761 1.00 0.00 C ATOM 907 CD2 LEU A 55 -9.330 -10.311 -0.277 1.00 0.00 C ATOM 0 H LEU A 55 -12.356 -13.920 -0.377 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.370 -12.448 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.896 -13.083 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.234 -12.791 0.477 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.401 -10.825 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.901 -9.590 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.609 -11.188 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.860 -10.928 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.514 -9.240 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.421 -10.566 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.212 -10.580 -1.327 1.00 0.00 H new ATOM 919 N LEU A 56 -10.116 -15.417 -2.052 1.00 0.00 N ATOM 920 CA LEU A 56 -9.301 -16.593 -2.340 1.00 0.00 C ATOM 921 C LEU A 56 -8.477 -16.383 -3.606 1.00 0.00 C ATOM 922 O LEU A 56 -7.246 -16.400 -3.567 1.00 0.00 O ATOM 923 CB LEU A 56 -10.188 -17.830 -2.489 1.00 0.00 C ATOM 924 CG LEU A 56 -9.620 -19.110 -1.871 1.00 0.00 C ATOM 925 CD1 LEU A 56 -10.704 -20.170 -1.750 1.00 0.00 C ATOM 926 CD2 LEU A 56 -8.455 -19.630 -2.700 1.00 0.00 C ATOM 0 H LEU A 56 -11.079 -15.476 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.617 -16.747 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.156 -17.622 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.367 -18.005 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.254 -18.877 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.282 -21.073 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.508 -19.797 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.100 -20.400 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.063 -20.540 -2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.797 -19.847 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.669 -18.876 -2.736 1.00 0.00 H new ATOM 938 N ARG A 57 -9.162 -16.185 -4.727 1.00 0.00 N ATOM 939 CA ARG A 57 -8.493 -15.969 -6.004 1.00 0.00 C ATOM 940 C ARG A 57 -8.668 -14.526 -6.466 1.00 0.00 C ATOM 941 O ARG A 57 -9.103 -14.271 -7.590 1.00 0.00 O ATOM 942 CB ARG A 57 -9.043 -16.930 -7.060 1.00 0.00 C ATOM 943 CG ARG A 57 -7.979 -17.486 -7.992 1.00 0.00 C ATOM 944 CD ARG A 57 -8.579 -18.428 -9.025 1.00 0.00 C ATOM 945 NE ARG A 57 -9.032 -19.680 -8.424 1.00 0.00 N ATOM 946 CZ ARG A 57 -8.223 -20.685 -8.102 1.00 0.00 C ATOM 947 NH1 ARG A 57 -6.916 -20.591 -8.322 1.00 0.00 N ATOM 948 NH2 ARG A 57 -8.718 -21.790 -7.562 1.00 0.00 N ATOM 0 H ARG A 57 -10.181 -16.170 -4.777 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.429 -16.163 -5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.544 -17.758 -6.559 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.798 -16.412 -7.652 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.472 -16.664 -8.498 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.225 -18.016 -7.410 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.418 -17.938 -9.519 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.837 -18.642 -9.795 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.029 -19.790 -8.240 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.529 -19.745 -8.740 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.300 -21.365 -8.073 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.721 -21.870 -7.393 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.096 -22.560 -7.316 1.00 0.00 H new ATOM 962 N THR A 58 -8.329 -13.586 -5.591 1.00 0.00 N ATOM 963 CA THR A 58 -8.452 -12.168 -5.908 1.00 0.00 C ATOM 964 C THR A 58 -7.086 -11.538 -6.152 1.00 0.00 C ATOM 965 O THR A 58 -6.056 -12.086 -5.761 1.00 0.00 O ATOM 966 CB THR A 58 -9.165 -11.429 -4.773 1.00 0.00 C ATOM 967 OG1 THR A 58 -8.969 -12.099 -3.541 1.00 0.00 O ATOM 968 CG2 THR A 58 -10.656 -11.290 -4.987 1.00 0.00 C ATOM 0 H THR A 58 -7.967 -13.780 -4.657 1.00 0.00 H new ATOM 0 HA THR A 58 -9.041 -12.081 -6.821 1.00 0.00 H new ATOM 0 HB THR A 58 -8.725 -10.432 -4.758 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.427 -12.965 -3.563 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.096 -10.757 -4.145 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.841 -10.733 -5.906 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.106 -12.280 -5.065 1.00 0.00 H new ATOM 976 N THR A 59 -7.089 -10.376 -6.798 1.00 0.00 N ATOM 977 CA THR A 59 -5.856 -9.659 -7.094 1.00 0.00 C ATOM 978 C THR A 59 -6.002 -8.179 -6.755 1.00 0.00 C ATOM 979 O THR A 59 -7.094 -7.713 -6.432 1.00 0.00 O ATOM 980 CB THR A 59 -5.483 -9.824 -8.567 1.00 0.00 C ATOM 981 OG1 THR A 59 -6.090 -10.983 -9.112 1.00 0.00 O ATOM 982 CG2 THR A 59 -3.992 -9.936 -8.796 1.00 0.00 C ATOM 0 H THR A 59 -7.935 -9.911 -7.127 1.00 0.00 H new ATOM 0 HA THR A 59 -5.060 -10.081 -6.480 1.00 0.00 H new ATOM 0 HB THR A 59 -5.844 -8.921 -9.060 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.840 -11.070 -10.056 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.795 -10.051 -9.862 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.499 -9.035 -8.431 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.606 -10.803 -8.260 1.00 0.00 H new ATOM 990 N VAL A 60 -4.899 -7.446 -6.833 1.00 0.00 N ATOM 991 CA VAL A 60 -4.909 -6.020 -6.536 1.00 0.00 C ATOM 992 C VAL A 60 -4.319 -5.217 -7.689 1.00 0.00 C ATOM 993 O VAL A 60 -3.260 -5.556 -8.217 1.00 0.00 O ATOM 994 CB VAL A 60 -4.121 -5.706 -5.251 1.00 0.00 C ATOM 995 CG1 VAL A 60 -4.316 -4.254 -4.844 1.00 0.00 C ATOM 996 CG2 VAL A 60 -4.540 -6.642 -4.127 1.00 0.00 C ATOM 0 H VAL A 60 -3.986 -7.815 -7.099 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.951 -5.735 -6.391 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.061 -5.863 -5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.751 -4.052 -3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.963 -3.602 -5.643 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.374 -4.066 -4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.973 -6.406 -3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.605 -6.518 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.343 -7.673 -4.420 1.00 0.00 H new ATOM 1407 N PHE A 90 -4.139 7.458 -2.508 1.00 0.00 N ATOM 1408 CA PHE A 90 -4.088 5.999 -2.482 1.00 0.00 C ATOM 1409 C PHE A 90 -5.387 5.377 -2.990 1.00 0.00 C ATOM 1410 O PHE A 90 -6.426 5.453 -2.335 1.00 0.00 O ATOM 1411 CB PHE A 90 -3.789 5.494 -1.071 1.00 0.00 C ATOM 1412 CG PHE A 90 -2.607 6.157 -0.419 1.00 0.00 C ATOM 1413 CD1 PHE A 90 -2.714 7.439 0.096 1.00 0.00 C ATOM 1414 CD2 PHE A 90 -1.397 5.492 -0.306 1.00 0.00 C ATOM 1415 CE1 PHE A 90 -1.636 8.046 0.708 1.00 0.00 C ATOM 1416 CE2 PHE A 90 -0.315 6.095 0.309 1.00 0.00 C ATOM 1417 CZ PHE A 90 -0.435 7.374 0.816 1.00 0.00 C ATOM 0 HA PHE A 90 -3.283 5.694 -3.151 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -4.669 5.649 -0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.613 4.419 -1.111 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.652 7.969 0.018 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.298 4.492 -0.702 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -1.732 9.047 1.102 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.623 5.566 0.393 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.409 7.847 1.296 1.00 0.00 H new ATOM 1427 N GLU A 91 -5.305 4.745 -4.158 1.00 0.00 N ATOM 1428 CA GLU A 91 -6.453 4.080 -4.768 1.00 0.00 C ATOM 1429 C GLU A 91 -6.079 2.646 -5.131 1.00 0.00 C ATOM 1430 O GLU A 91 -5.045 2.410 -5.756 1.00 0.00 O ATOM 1431 CB GLU A 91 -6.919 4.841 -6.013 1.00 0.00 C ATOM 1432 CG GLU A 91 -7.075 6.338 -5.792 1.00 0.00 C ATOM 1433 CD GLU A 91 -6.093 7.155 -6.611 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -4.872 6.944 -6.455 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -6.546 8.003 -7.406 1.00 0.00 O ATOM 0 H GLU A 91 -4.447 4.679 -4.705 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.275 4.066 -4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.204 4.674 -6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.873 4.430 -6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.092 6.635 -6.049 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.935 6.562 -4.734 1.00 0.00 H new ATOM 1442 N PHE A 92 -6.907 1.688 -4.725 1.00 0.00 N ATOM 1443 CA PHE A 92 -6.625 0.282 -5.006 1.00 0.00 C ATOM 1444 C PHE A 92 -7.833 -0.425 -5.612 1.00 0.00 C ATOM 1445 O PHE A 92 -8.978 -0.047 -5.364 1.00 0.00 O ATOM 1446 CB PHE A 92 -6.175 -0.436 -3.728 1.00 0.00 C ATOM 1447 CG PHE A 92 -7.251 -0.559 -2.684 1.00 0.00 C ATOM 1448 CD1 PHE A 92 -7.775 0.568 -2.070 1.00 0.00 C ATOM 1449 CD2 PHE A 92 -7.736 -1.803 -2.318 1.00 0.00 C ATOM 1450 CE1 PHE A 92 -8.766 0.455 -1.111 1.00 0.00 C ATOM 1451 CE2 PHE A 92 -8.728 -1.923 -1.362 1.00 0.00 C ATOM 1452 CZ PHE A 92 -9.244 -0.793 -0.759 1.00 0.00 C ATOM 0 H PHE A 92 -7.769 1.855 -4.206 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.819 0.247 -5.739 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.821 -1.433 -3.989 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.328 0.101 -3.301 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.406 1.545 -2.343 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.335 -2.690 -2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.165 1.340 -0.638 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.099 -2.899 -1.087 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.020 -0.884 -0.013 1.00 0.00 H new ATOM 1462 N LEU A 93 -7.563 -1.455 -6.413 1.00 0.00 N ATOM 1463 CA LEU A 93 -8.620 -2.222 -7.064 1.00 0.00 C ATOM 1464 C LEU A 93 -8.636 -3.664 -6.566 1.00 0.00 C ATOM 1465 O LEU A 93 -7.590 -4.242 -6.272 1.00 0.00 O ATOM 1466 CB LEU A 93 -8.426 -2.207 -8.582 1.00 0.00 C ATOM 1467 CG LEU A 93 -8.814 -0.899 -9.273 1.00 0.00 C ATOM 1468 CD1 LEU A 93 -7.605 -0.270 -9.952 1.00 0.00 C ATOM 1469 CD2 LEU A 93 -9.929 -1.137 -10.283 1.00 0.00 C ATOM 0 H LEU A 93 -6.619 -1.777 -6.626 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.574 -1.757 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.379 -2.419 -8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.013 -3.017 -9.016 1.00 0.00 H new ATOM 0 HG LEU A 93 -9.179 -0.207 -8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.903 0.659 -10.437 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.837 -0.060 -9.207 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.208 -0.958 -10.698 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.191 -0.195 -10.764 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.591 -1.848 -11.037 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.804 -1.539 -9.771 1.00 0.00 H new ATOM 1481 N ILE A 94 -9.833 -4.239 -6.482 1.00 0.00 N ATOM 1482 CA ILE A 94 -9.996 -5.616 -6.026 1.00 0.00 C ATOM 1483 C ILE A 94 -10.577 -6.478 -7.144 1.00 0.00 C ATOM 1484 O ILE A 94 -11.747 -6.351 -7.484 1.00 0.00 O ATOM 1485 CB ILE A 94 -10.934 -5.686 -4.803 1.00 0.00 C ATOM 1486 CG1 ILE A 94 -10.625 -4.551 -3.823 1.00 0.00 C ATOM 1487 CG2 ILE A 94 -10.821 -7.031 -4.110 1.00 0.00 C ATOM 1488 CD1 ILE A 94 -9.185 -4.528 -3.359 1.00 0.00 C ATOM 0 H ILE A 94 -10.706 -3.771 -6.725 1.00 0.00 H new ATOM 0 HA ILE A 94 -9.012 -5.990 -5.743 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.959 -5.570 -5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.861 -3.598 -4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.277 -4.644 -2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -11.492 -7.055 -3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.095 -7.823 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.795 -7.182 -3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.039 -3.698 -2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -8.950 -5.466 -2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.527 -4.403 -4.219 1.00 0.00 H new ATOM 1500 N VAL A 95 -9.759 -7.354 -7.714 1.00 0.00 N ATOM 1501 CA VAL A 95 -10.219 -8.219 -8.796 1.00 0.00 C ATOM 1502 C VAL A 95 -10.624 -9.594 -8.281 1.00 0.00 C ATOM 1503 O VAL A 95 -9.886 -10.229 -7.530 1.00 0.00 O ATOM 1504 CB VAL A 95 -9.143 -8.388 -9.888 1.00 0.00 C ATOM 1505 CG1 VAL A 95 -9.636 -9.314 -10.993 1.00 0.00 C ATOM 1506 CG2 VAL A 95 -8.750 -7.035 -10.458 1.00 0.00 C ATOM 0 H VAL A 95 -8.783 -7.485 -7.449 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.091 -7.729 -9.230 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.261 -8.841 -9.435 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.861 -9.419 -11.752 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.866 -10.293 -10.572 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.534 -8.894 -11.446 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.990 -7.171 -11.227 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.626 -6.556 -10.894 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.352 -6.406 -9.662 1.00 0.00 H new ATOM 1516 N SER A 96 -11.796 -10.050 -8.706 1.00 0.00 N ATOM 1517 CA SER A 96 -12.303 -11.355 -8.308 1.00 0.00 C ATOM 1518 C SER A 96 -11.938 -12.404 -9.351 1.00 0.00 C ATOM 1519 O SER A 96 -11.210 -12.116 -10.303 1.00 0.00 O ATOM 1520 CB SER A 96 -13.821 -11.305 -8.121 1.00 0.00 C ATOM 1521 OG SER A 96 -14.208 -11.948 -6.918 1.00 0.00 O ATOM 0 H SER A 96 -12.415 -9.531 -9.329 1.00 0.00 H new ATOM 0 HA SER A 96 -11.844 -11.629 -7.358 1.00 0.00 H new ATOM 0 HB2 SER A 96 -14.155 -10.267 -8.106 1.00 0.00 H new ATOM 0 HB3 SER A 96 -14.311 -11.785 -8.968 1.00 0.00 H new ATOM 0 HG SER A 96 -14.141 -12.919 -7.030 1.00 0.00 H new ATOM 1527 N SER A 97 -12.442 -13.619 -9.174 1.00 0.00 N ATOM 1528 CA SER A 97 -12.160 -14.700 -10.110 1.00 0.00 C ATOM 1529 C SER A 97 -13.107 -14.658 -11.306 1.00 0.00 C ATOM 1530 O SER A 97 -12.836 -15.269 -12.339 1.00 0.00 O ATOM 1531 CB SER A 97 -12.261 -16.054 -9.409 1.00 0.00 C ATOM 1532 OG SER A 97 -13.609 -16.482 -9.319 1.00 0.00 O ATOM 0 H SER A 97 -13.046 -13.880 -8.394 1.00 0.00 H new ATOM 0 HA SER A 97 -11.143 -14.565 -10.477 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.677 -16.794 -9.955 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.831 -15.983 -8.410 1.00 0.00 H new ATOM 0 HG SER A 97 -13.647 -17.351 -8.868 1.00 0.00 H new ATOM 1538 N THR A 98 -14.214 -13.935 -11.165 1.00 0.00 N ATOM 1539 CA THR A 98 -15.183 -13.825 -12.246 1.00 0.00 C ATOM 1540 C THR A 98 -15.048 -12.494 -12.972 1.00 0.00 C ATOM 1541 O THR A 98 -15.990 -12.022 -13.609 1.00 0.00 O ATOM 1542 CB THR A 98 -16.606 -13.990 -11.708 1.00 0.00 C ATOM 1543 OG1 THR A 98 -17.557 -13.758 -12.731 1.00 0.00 O ATOM 1544 CG2 THR A 98 -16.924 -13.055 -10.562 1.00 0.00 C ATOM 0 H THR A 98 -14.460 -13.421 -10.319 1.00 0.00 H new ATOM 0 HA THR A 98 -14.980 -14.624 -12.959 1.00 0.00 H new ATOM 0 HB THR A 98 -16.661 -15.016 -11.343 1.00 0.00 H new ATOM 0 HG1 THR A 98 -17.414 -12.868 -13.115 1.00 0.00 H new ATOM 0 HG21 THR A 98 -17.948 -13.224 -10.228 1.00 0.00 H new ATOM 0 HG22 THR A 98 -16.237 -13.244 -9.737 1.00 0.00 H new ATOM 0 HG23 THR A 98 -16.816 -12.022 -10.894 1.00 0.00 H new ATOM 1552 N GLY A 99 -13.866 -11.896 -12.880 1.00 0.00 N ATOM 1553 CA GLY A 99 -13.622 -10.626 -13.540 1.00 0.00 C ATOM 1554 C GLY A 99 -14.075 -9.427 -12.724 1.00 0.00 C ATOM 1555 O GLY A 99 -13.597 -8.313 -12.940 1.00 0.00 O ATOM 0 H GLY A 99 -13.071 -12.268 -12.360 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.556 -10.532 -13.750 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.138 -10.619 -14.500 1.00 0.00 H new ATOM 1559 N GLN A 100 -14.996 -9.648 -11.787 1.00 0.00 N ATOM 1560 CA GLN A 100 -15.503 -8.566 -10.945 1.00 0.00 C ATOM 1561 C GLN A 100 -14.355 -7.755 -10.355 1.00 0.00 C ATOM 1562 O GLN A 100 -13.426 -8.315 -9.772 1.00 0.00 O ATOM 1563 CB GLN A 100 -16.375 -9.133 -9.822 1.00 0.00 C ATOM 1564 CG GLN A 100 -17.613 -8.297 -9.534 1.00 0.00 C ATOM 1565 CD GLN A 100 -18.898 -9.093 -9.664 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -19.322 -9.431 -10.770 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -19.524 -9.393 -8.533 1.00 0.00 N ATOM 0 H GLN A 100 -15.405 -10.562 -11.592 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.108 -7.906 -11.566 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.683 -10.144 -10.087 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.778 -9.210 -8.913 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.544 -7.888 -8.526 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.643 -7.451 -10.220 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.135 -9.092 -7.639 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -20.394 -9.925 -8.557 1.00 0.00 H new ATOM 1576 N THR A 101 -14.412 -6.436 -10.516 1.00 0.00 N ATOM 1577 CA THR A 101 -13.360 -5.569 -10.002 1.00 0.00 C ATOM 1578 C THR A 101 -13.924 -4.430 -9.155 1.00 0.00 C ATOM 1579 O THR A 101 -14.616 -3.547 -9.660 1.00 0.00 O ATOM 1580 CB THR A 101 -12.542 -4.993 -11.158 1.00 0.00 C ATOM 1581 OG1 THR A 101 -12.352 -5.964 -12.172 1.00 0.00 O ATOM 1582 CG2 THR A 101 -11.176 -4.497 -10.734 1.00 0.00 C ATOM 0 H THR A 101 -15.170 -5.949 -10.994 1.00 0.00 H new ATOM 0 HA THR A 101 -12.719 -6.177 -9.363 1.00 0.00 H new ATOM 0 HB THR A 101 -13.120 -4.146 -11.528 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.828 -5.575 -12.903 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.647 -4.101 -11.601 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.290 -3.710 -9.988 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.606 -5.322 -10.307 1.00 0.00 H new ATOM 1590 N TRP A 102 -13.597 -4.450 -7.867 1.00 0.00 N ATOM 1591 CA TRP A 102 -14.039 -3.416 -6.941 1.00 0.00 C ATOM 1592 C TRP A 102 -12.974 -2.339 -6.807 1.00 0.00 C ATOM 1593 O TRP A 102 -11.957 -2.549 -6.146 1.00 0.00 O ATOM 1594 CB TRP A 102 -14.296 -4.001 -5.557 1.00 0.00 C ATOM 1595 CG TRP A 102 -15.414 -4.987 -5.494 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -16.108 -5.524 -6.537 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -15.959 -5.562 -4.307 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -17.053 -6.404 -6.065 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -16.986 -6.437 -4.696 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -15.677 -5.418 -2.947 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -17.733 -7.164 -3.772 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -16.421 -6.142 -2.036 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -17.432 -7.000 -2.452 1.00 0.00 C ATOM 0 H TRP A 102 -13.023 -5.177 -7.439 1.00 0.00 H new ATOM 0 HA TRP A 102 -14.961 -2.991 -7.339 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -13.384 -4.484 -5.207 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -14.510 -3.185 -4.867 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -15.941 -5.293 -7.579 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -17.699 -6.945 -6.640 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -14.893 -4.754 -2.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -18.520 -7.832 -4.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -16.213 -6.039 -0.981 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -17.993 -7.551 -1.712 1.00 0.00 H new ATOM 1614 N HIS A 103 -13.202 -1.183 -7.414 1.00 0.00 N ATOM 1615 CA HIS A 103 -12.240 -0.098 -7.315 1.00 0.00 C ATOM 1616 C HIS A 103 -12.650 0.873 -6.216 1.00 0.00 C ATOM 1617 O HIS A 103 -13.697 1.511 -6.298 1.00 0.00 O ATOM 1618 CB HIS A 103 -12.103 0.642 -8.646 1.00 0.00 C ATOM 1619 CG HIS A 103 -10.910 1.541 -8.678 1.00 0.00 C ATOM 1620 ND1 HIS A 103 -10.103 1.729 -7.579 1.00 0.00 N ATOM 1621 CD2 HIS A 103 -10.383 2.306 -9.666 1.00 0.00 C ATOM 1622 CE1 HIS A 103 -9.138 2.572 -7.879 1.00 0.00 C ATOM 1623 NE2 HIS A 103 -9.280 2.934 -9.143 1.00 0.00 N ATOM 0 H HIS A 103 -14.031 -0.975 -7.971 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.271 -0.530 -7.065 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -12.030 -0.084 -9.456 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -13.003 1.230 -8.826 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.760 2.403 -10.674 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.363 2.910 -7.208 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.669 3.576 -9.648 1.00 0.00 H new ATOM 1632 N PHE A 104 -11.823 0.979 -5.182 1.00 0.00 N ATOM 1633 CA PHE A 104 -12.118 1.873 -4.071 1.00 0.00 C ATOM 1634 C PHE A 104 -10.997 2.880 -3.838 1.00 0.00 C ATOM 1635 O PHE A 104 -9.834 2.628 -4.157 1.00 0.00 O ATOM 1636 CB PHE A 104 -12.341 1.084 -2.780 1.00 0.00 C ATOM 1637 CG PHE A 104 -13.369 -0.007 -2.876 1.00 0.00 C ATOM 1638 CD1 PHE A 104 -14.581 0.209 -3.512 1.00 0.00 C ATOM 1639 CD2 PHE A 104 -13.125 -1.251 -2.310 1.00 0.00 C ATOM 1640 CE1 PHE A 104 -15.529 -0.794 -3.584 1.00 0.00 C ATOM 1641 CE2 PHE A 104 -14.070 -2.256 -2.378 1.00 0.00 C ATOM 1642 CZ PHE A 104 -15.273 -2.028 -3.015 1.00 0.00 C ATOM 0 H PHE A 104 -10.949 0.461 -5.091 1.00 0.00 H new ATOM 0 HA PHE A 104 -13.027 2.412 -4.340 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.393 0.644 -2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.641 1.778 -1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -14.787 1.172 -3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.185 -1.435 -1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -16.469 -0.614 -4.084 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -13.868 -3.219 -1.933 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.013 -2.812 -3.069 1.00 0.00 H new ATOM 1652 N GLU A 105 -11.368 4.008 -3.245 1.00 0.00 N ATOM 1653 CA GLU A 105 -10.417 5.060 -2.916 1.00 0.00 C ATOM 1654 C GLU A 105 -10.461 5.328 -1.416 1.00 0.00 C ATOM 1655 O GLU A 105 -11.290 6.103 -0.935 1.00 0.00 O ATOM 1656 CB GLU A 105 -10.729 6.341 -3.695 1.00 0.00 C ATOM 1657 CG GLU A 105 -9.835 7.514 -3.326 1.00 0.00 C ATOM 1658 CD GLU A 105 -9.890 8.633 -4.346 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -9.089 8.603 -5.304 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -10.735 9.540 -4.189 1.00 0.00 O ATOM 0 H GLU A 105 -12.330 4.218 -2.980 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.416 4.733 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.628 6.141 -4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.768 6.618 -3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.133 7.901 -2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.807 7.166 -3.229 1.00 0.00 H new ATOM 1667 N ALA A 106 -9.575 4.658 -0.687 1.00 0.00 N ATOM 1668 CA ALA A 106 -9.496 4.782 0.765 1.00 0.00 C ATOM 1669 C ALA A 106 -9.678 6.223 1.237 1.00 0.00 C ATOM 1670 O ALA A 106 -9.556 7.166 0.456 1.00 0.00 O ATOM 1671 CB ALA A 106 -8.166 4.232 1.243 1.00 0.00 C ATOM 0 H ALA A 106 -8.892 4.014 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.314 4.205 1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.103 4.323 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.084 3.182 0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.353 4.795 0.784 1.00 0.00 H new ATOM 1677 N ALA A 107 -9.980 6.383 2.525 1.00 0.00 N ATOM 1678 CA ALA A 107 -10.191 7.701 3.110 1.00 0.00 C ATOM 1679 C ALA A 107 -8.962 8.177 3.881 1.00 0.00 C ATOM 1680 O ALA A 107 -8.469 9.283 3.660 1.00 0.00 O ATOM 1681 CB ALA A 107 -11.414 7.684 4.016 1.00 0.00 C ATOM 0 H ALA A 107 -10.084 5.611 3.183 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.361 8.405 2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.561 8.674 4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.294 7.407 3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.264 6.959 4.816 1.00 0.00 H new ATOM 1687 N SER A 108 -8.475 7.337 4.785 1.00 0.00 N ATOM 1688 CA SER A 108 -7.305 7.671 5.594 1.00 0.00 C ATOM 1689 C SER A 108 -6.042 7.050 5.006 1.00 0.00 C ATOM 1690 O SER A 108 -6.030 5.871 4.652 1.00 0.00 O ATOM 1691 CB SER A 108 -7.500 7.195 7.034 1.00 0.00 C ATOM 1692 OG SER A 108 -8.876 7.057 7.344 1.00 0.00 O ATOM 0 H SER A 108 -8.871 6.417 4.978 1.00 0.00 H new ATOM 0 HA SER A 108 -7.190 8.755 5.591 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.995 6.240 7.176 1.00 0.00 H new ATOM 0 HB3 SER A 108 -7.039 7.905 7.721 1.00 0.00 H new ATOM 0 HG SER A 108 -8.974 6.750 8.270 1.00 0.00 H new ATOM 1698 N PHE A 109 -4.980 7.850 4.899 1.00 0.00 N ATOM 1699 CA PHE A 109 -3.715 7.374 4.342 1.00 0.00 C ATOM 1700 C PHE A 109 -3.278 6.073 5.004 1.00 0.00 C ATOM 1701 O PHE A 109 -2.704 5.198 4.354 1.00 0.00 O ATOM 1702 CB PHE A 109 -2.628 8.446 4.486 1.00 0.00 C ATOM 1703 CG PHE A 109 -2.640 9.468 3.379 1.00 0.00 C ATOM 1704 CD1 PHE A 109 -3.722 9.572 2.515 1.00 0.00 C ATOM 1705 CD2 PHE A 109 -1.562 10.322 3.198 1.00 0.00 C ATOM 1706 CE1 PHE A 109 -3.729 10.505 1.497 1.00 0.00 C ATOM 1707 CE2 PHE A 109 -1.565 11.257 2.179 1.00 0.00 C ATOM 1708 CZ PHE A 109 -2.650 11.348 1.327 1.00 0.00 C ATOM 0 H PHE A 109 -4.971 8.828 5.190 1.00 0.00 H new ATOM 0 HA PHE A 109 -3.867 7.175 3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -2.756 8.955 5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.652 7.961 4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -4.569 8.914 2.641 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -0.711 10.256 3.860 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -4.579 10.575 0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -0.720 11.916 2.049 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.653 12.077 0.530 1.00 0.00 H new ATOM 1718 N GLU A 110 -3.568 5.938 6.291 1.00 0.00 N ATOM 1719 CA GLU A 110 -3.224 4.727 7.021 1.00 0.00 C ATOM 1720 C GLU A 110 -4.166 3.590 6.625 1.00 0.00 C ATOM 1721 O GLU A 110 -3.777 2.421 6.606 1.00 0.00 O ATOM 1722 CB GLU A 110 -3.302 4.972 8.529 1.00 0.00 C ATOM 1723 CG GLU A 110 -1.969 5.353 9.152 1.00 0.00 C ATOM 1724 CD GLU A 110 -1.335 6.558 8.484 1.00 0.00 C ATOM 1725 OE1 GLU A 110 -1.911 7.662 8.583 1.00 0.00 O ATOM 1726 OE2 GLU A 110 -0.266 6.397 7.860 1.00 0.00 O ATOM 0 H GLU A 110 -4.039 6.650 6.849 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.202 4.446 6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -4.024 5.765 8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.678 4.072 9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.115 5.565 10.211 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.287 4.506 9.087 1.00 0.00 H new ATOM 1733 N GLU A 111 -5.408 3.952 6.316 1.00 0.00 N ATOM 1734 CA GLU A 111 -6.422 2.978 5.928 1.00 0.00 C ATOM 1735 C GLU A 111 -6.183 2.445 4.518 1.00 0.00 C ATOM 1736 O GLU A 111 -6.372 1.258 4.261 1.00 0.00 O ATOM 1737 CB GLU A 111 -7.815 3.603 6.017 1.00 0.00 C ATOM 1738 CG GLU A 111 -8.878 2.651 6.540 1.00 0.00 C ATOM 1739 CD GLU A 111 -9.330 2.995 7.946 1.00 0.00 C ATOM 1740 OE1 GLU A 111 -8.542 3.619 8.687 1.00 0.00 O ATOM 1741 OE2 GLU A 111 -10.473 2.643 8.304 1.00 0.00 O ATOM 0 H GLU A 111 -5.737 4.917 6.327 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.354 2.139 6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.771 4.477 6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.110 3.955 5.028 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.738 2.670 5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.487 1.634 6.527 1.00 0.00 H new ATOM 1748 N ARG A 112 -5.774 3.321 3.603 1.00 0.00 N ATOM 1749 CA ARG A 112 -5.531 2.902 2.219 1.00 0.00 C ATOM 1750 C ARG A 112 -4.522 1.760 2.177 1.00 0.00 C ATOM 1751 O ARG A 112 -4.715 0.778 1.459 1.00 0.00 O ATOM 1752 CB ARG A 112 -5.033 4.060 1.327 1.00 0.00 C ATOM 1753 CG ARG A 112 -4.744 5.370 2.050 1.00 0.00 C ATOM 1754 CD ARG A 112 -5.941 6.316 2.039 1.00 0.00 C ATOM 1755 NE ARG A 112 -6.307 6.746 0.688 1.00 0.00 N ATOM 1756 CZ ARG A 112 -6.672 7.989 0.373 1.00 0.00 C ATOM 1757 NH1 ARG A 112 -6.739 8.933 1.305 1.00 0.00 N ATOM 1758 NH2 ARG A 112 -6.979 8.287 -0.882 1.00 0.00 N ATOM 0 H ARG A 112 -5.605 4.310 3.787 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.489 2.567 1.823 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -4.124 3.738 0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -5.780 4.248 0.556 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -4.461 5.158 3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.892 5.861 1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -6.795 5.821 2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -5.712 7.192 2.646 1.00 0.00 H new ATOM 0 HE ARG A 112 -6.281 6.051 -0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -6.510 8.710 2.274 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -7.020 9.880 1.052 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -6.935 7.566 -1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -7.259 9.237 -1.127 1.00 0.00 H new ATOM 1772 N ASP A 113 -3.453 1.886 2.952 1.00 0.00 N ATOM 1773 CA ASP A 113 -2.430 0.852 2.998 1.00 0.00 C ATOM 1774 C ASP A 113 -2.946 -0.377 3.733 1.00 0.00 C ATOM 1775 O ASP A 113 -2.705 -1.509 3.313 1.00 0.00 O ATOM 1776 CB ASP A 113 -1.163 1.380 3.673 1.00 0.00 C ATOM 1777 CG ASP A 113 -0.378 2.318 2.778 1.00 0.00 C ATOM 1778 OD1 ASP A 113 0.077 1.870 1.704 1.00 0.00 O ATOM 1779 OD2 ASP A 113 -0.218 3.499 3.149 1.00 0.00 O ATOM 0 H ASP A 113 -3.273 2.689 3.554 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.185 0.567 1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.434 1.901 4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.530 0.540 3.958 1.00 0.00 H new ATOM 1784 N ALA A 114 -3.670 -0.152 4.826 1.00 0.00 N ATOM 1785 CA ALA A 114 -4.226 -1.251 5.603 1.00 0.00 C ATOM 1786 C ALA A 114 -5.133 -2.111 4.735 1.00 0.00 C ATOM 1787 O ALA A 114 -5.017 -3.332 4.722 1.00 0.00 O ATOM 1788 CB ALA A 114 -4.983 -0.722 6.811 1.00 0.00 C ATOM 0 H ALA A 114 -3.883 0.776 5.191 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.404 -1.871 5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.391 -1.558 7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.304 -0.150 7.444 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.797 -0.078 6.477 1.00 0.00 H new ATOM 1794 N TRP A 115 -6.032 -1.460 4.002 1.00 0.00 N ATOM 1795 CA TRP A 115 -6.953 -2.160 3.116 1.00 0.00 C ATOM 1796 C TRP A 115 -6.196 -2.994 2.092 1.00 0.00 C ATOM 1797 O TRP A 115 -6.434 -4.195 1.965 1.00 0.00 O ATOM 1798 CB TRP A 115 -7.849 -1.157 2.405 1.00 0.00 C ATOM 1799 CG TRP A 115 -9.044 -0.785 3.213 1.00 0.00 C ATOM 1800 CD1 TRP A 115 -9.203 0.330 3.977 1.00 0.00 C ATOM 1801 CD2 TRP A 115 -10.241 -1.545 3.359 1.00 0.00 C ATOM 1802 NE1 TRP A 115 -10.434 0.324 4.571 1.00 0.00 N ATOM 1803 CE2 TRP A 115 -11.092 -0.819 4.208 1.00 0.00 C ATOM 1804 CE3 TRP A 115 -10.682 -2.764 2.850 1.00 0.00 C ATOM 1805 CZ2 TRP A 115 -12.355 -1.276 4.556 1.00 0.00 C ATOM 1806 CZ3 TRP A 115 -11.937 -3.209 3.205 1.00 0.00 C ATOM 1807 CH2 TRP A 115 -12.755 -2.472 4.042 1.00 0.00 C ATOM 0 H TRP A 115 -6.141 -0.446 4.005 1.00 0.00 H new ATOM 0 HA TRP A 115 -7.565 -2.831 3.719 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -7.274 -0.259 2.178 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -8.175 -1.577 1.453 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -8.463 1.108 4.097 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -10.801 1.052 5.184 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -10.055 -3.347 2.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.997 -0.705 5.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.290 -4.155 2.821 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.733 -2.854 4.294 1.00 0.00 H new ATOM 1818 N VAL A 116 -5.278 -2.359 1.367 1.00 0.00 N ATOM 1819 CA VAL A 116 -4.494 -3.066 0.363 1.00 0.00 C ATOM 1820 C VAL A 116 -3.782 -4.259 0.995 1.00 0.00 C ATOM 1821 O VAL A 116 -3.644 -5.316 0.373 1.00 0.00 O ATOM 1822 CB VAL A 116 -3.465 -2.134 -0.310 1.00 0.00 C ATOM 1823 CG1 VAL A 116 -2.538 -2.917 -1.230 1.00 0.00 C ATOM 1824 CG2 VAL A 116 -4.175 -1.028 -1.078 1.00 0.00 C ATOM 0 H VAL A 116 -5.062 -1.366 1.456 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.180 -3.421 -0.406 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.856 -1.679 0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.823 -2.236 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.002 -3.669 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.125 -3.407 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.436 -0.379 -1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.811 -1.469 -1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.788 -0.444 -0.391 1.00 0.00 H new ATOM 1834 N GLN A 117 -3.348 -4.090 2.240 1.00 0.00 N ATOM 1835 CA GLN A 117 -2.668 -5.157 2.959 1.00 0.00 C ATOM 1836 C GLN A 117 -3.678 -6.159 3.508 1.00 0.00 C ATOM 1837 O GLN A 117 -3.371 -7.338 3.666 1.00 0.00 O ATOM 1838 CB GLN A 117 -1.825 -4.581 4.099 1.00 0.00 C ATOM 1839 CG GLN A 117 -0.987 -5.623 4.821 1.00 0.00 C ATOM 1840 CD GLN A 117 -1.363 -5.765 6.284 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -1.140 -4.857 7.085 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -1.936 -6.908 6.639 1.00 0.00 N ATOM 0 H GLN A 117 -3.456 -3.225 2.770 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.008 -5.673 2.262 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.166 -3.810 3.699 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.485 -4.095 4.818 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -1.105 -6.586 4.325 1.00 0.00 H new ATOM 0 HG3 GLN A 117 0.066 -5.353 4.745 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.102 -7.634 5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.211 -7.061 7.609 1.00 0.00 H new ATOM 1851 N ALA A 118 -4.887 -5.680 3.788 1.00 0.00 N ATOM 1852 CA ALA A 118 -5.945 -6.534 4.309 1.00 0.00 C ATOM 1853 C ALA A 118 -6.413 -7.509 3.241 1.00 0.00 C ATOM 1854 O ALA A 118 -6.553 -8.706 3.492 1.00 0.00 O ATOM 1855 CB ALA A 118 -7.108 -5.692 4.809 1.00 0.00 C ATOM 0 H ALA A 118 -5.156 -4.704 3.662 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.548 -7.106 5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -7.891 -6.345 5.195 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.763 -5.030 5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.505 -5.096 3.987 1.00 0.00 H new ATOM 1861 N ILE A 119 -6.643 -6.987 2.044 1.00 0.00 N ATOM 1862 CA ILE A 119 -7.081 -7.807 0.927 1.00 0.00 C ATOM 1863 C ILE A 119 -5.981 -8.788 0.533 1.00 0.00 C ATOM 1864 O ILE A 119 -6.233 -9.980 0.367 1.00 0.00 O ATOM 1865 CB ILE A 119 -7.482 -6.936 -0.287 1.00 0.00 C ATOM 1866 CG1 ILE A 119 -8.835 -6.267 -0.031 1.00 0.00 C ATOM 1867 CG2 ILE A 119 -7.537 -7.767 -1.566 1.00 0.00 C ATOM 1868 CD1 ILE A 119 -8.734 -4.955 0.716 1.00 0.00 C ATOM 0 H ILE A 119 -6.533 -5.997 1.823 1.00 0.00 H new ATOM 0 HA ILE A 119 -7.962 -8.366 1.244 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.723 -6.165 -0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -9.331 -6.094 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -9.466 -6.950 0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -7.821 -7.129 -2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -6.557 -8.203 -1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -8.272 -8.563 -1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.732 -4.541 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -8.267 -5.124 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -8.130 -4.254 0.140 1.00 0.00 H new ATOM 1880 N GLU A 120 -4.759 -8.283 0.398 1.00 0.00 N ATOM 1881 CA GLU A 120 -3.627 -9.129 0.041 1.00 0.00 C ATOM 1882 C GLU A 120 -3.343 -10.126 1.158 1.00 0.00 C ATOM 1883 O GLU A 120 -2.915 -11.252 0.906 1.00 0.00 O ATOM 1884 CB GLU A 120 -2.387 -8.278 -0.237 1.00 0.00 C ATOM 1885 CG GLU A 120 -2.443 -7.534 -1.560 1.00 0.00 C ATOM 1886 CD GLU A 120 -1.128 -6.869 -1.912 1.00 0.00 C ATOM 1887 OE1 GLU A 120 -0.172 -7.591 -2.264 1.00 0.00 O ATOM 1888 OE2 GLU A 120 -1.054 -5.624 -1.835 1.00 0.00 O ATOM 0 H GLU A 120 -4.528 -7.298 0.530 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.878 -9.679 -0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.263 -7.557 0.571 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.506 -8.920 -0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.717 -8.230 -2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -3.227 -6.778 -1.514 1.00 0.00 H new ATOM 1895 N SER A 121 -3.592 -9.706 2.396 1.00 0.00 N ATOM 1896 CA SER A 121 -3.371 -10.564 3.553 1.00 0.00 C ATOM 1897 C SER A 121 -4.365 -11.716 3.560 1.00 0.00 C ATOM 1898 O SER A 121 -3.992 -12.871 3.771 1.00 0.00 O ATOM 1899 CB SER A 121 -3.491 -9.763 4.849 1.00 0.00 C ATOM 1900 OG SER A 121 -2.298 -9.048 5.122 1.00 0.00 O ATOM 0 H SER A 121 -3.947 -8.777 2.622 1.00 0.00 H new ATOM 0 HA SER A 121 -2.362 -10.970 3.486 1.00 0.00 H new ATOM 0 HB2 SER A 121 -4.326 -9.067 4.773 1.00 0.00 H new ATOM 0 HB3 SER A 121 -3.712 -10.437 5.677 1.00 0.00 H new ATOM 0 HG SER A 121 -2.117 -8.422 4.390 1.00 0.00 H new ATOM 1906 N GLN A 122 -5.630 -11.396 3.323 1.00 0.00 N ATOM 1907 CA GLN A 122 -6.677 -12.408 3.293 1.00 0.00 C ATOM 1908 C GLN A 122 -6.421 -13.403 2.170 1.00 0.00 C ATOM 1909 O GLN A 122 -6.703 -14.595 2.301 1.00 0.00 O ATOM 1910 CB GLN A 122 -8.047 -11.752 3.113 1.00 0.00 C ATOM 1911 CG GLN A 122 -8.551 -11.040 4.358 1.00 0.00 C ATOM 1912 CD GLN A 122 -8.513 -11.920 5.591 1.00 0.00 C ATOM 1913 OE1 GLN A 122 -9.275 -12.881 5.707 1.00 0.00 O ATOM 1914 NE2 GLN A 122 -7.623 -11.596 6.523 1.00 0.00 N ATOM 0 H GLN A 122 -5.956 -10.445 3.149 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.667 -12.943 4.243 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -7.992 -11.036 2.293 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.770 -12.514 2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -7.946 -10.150 4.533 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.573 -10.702 4.189 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -7.011 -10.792 6.386 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -7.552 -12.152 7.375 1.00 0.00 H new ATOM 1923 N ILE A 123 -5.876 -12.904 1.067 1.00 0.00 N ATOM 1924 CA ILE A 123 -5.572 -13.743 -0.083 1.00 0.00 C ATOM 1925 C ILE A 123 -4.349 -14.611 0.192 1.00 0.00 C ATOM 1926 O ILE A 123 -4.284 -15.764 -0.234 1.00 0.00 O ATOM 1927 CB ILE A 123 -5.328 -12.892 -1.347 1.00 0.00 C ATOM 1928 CG1 ILE A 123 -6.563 -12.048 -1.664 1.00 0.00 C ATOM 1929 CG2 ILE A 123 -4.974 -13.778 -2.530 1.00 0.00 C ATOM 1930 CD1 ILE A 123 -6.262 -10.825 -2.502 1.00 0.00 C ATOM 0 H ILE A 123 -5.636 -11.920 0.946 1.00 0.00 H new ATOM 0 HA ILE A 123 -6.436 -14.385 -0.257 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.488 -12.224 -1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -7.291 -12.667 -2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -7.027 -11.733 -0.729 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.806 -13.159 -3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.069 -14.342 -2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -5.793 -14.470 -2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -7.185 -10.275 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.558 -10.184 -1.971 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -5.826 -11.133 -3.452 1.00 0.00 H new ATOM 1942 N LEU A 124 -3.385 -14.050 0.911 1.00 0.00 N ATOM 1943 CA LEU A 124 -2.168 -14.776 1.251 1.00 0.00 C ATOM 1944 C LEU A 124 -2.472 -15.901 2.235 1.00 0.00 C ATOM 1945 O LEU A 124 -1.852 -16.964 2.190 1.00 0.00 O ATOM 1946 CB LEU A 124 -1.125 -13.824 1.844 1.00 0.00 C ATOM 1947 CG LEU A 124 0.058 -13.510 0.926 1.00 0.00 C ATOM 1948 CD1 LEU A 124 -0.413 -12.776 -0.320 1.00 0.00 C ATOM 1949 CD2 LEU A 124 1.103 -12.689 1.667 1.00 0.00 C ATOM 0 H LEU A 124 -3.422 -13.096 1.270 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.764 -15.213 0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.618 -12.889 2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -0.743 -14.257 2.769 1.00 0.00 H new ATOM 0 HG LEU A 124 0.514 -14.451 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.442 -12.561 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.125 -13.399 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.894 -11.841 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.938 -12.474 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.658 -11.753 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 124 1.463 -13.251 2.529 1.00 0.00 H new ATOM 1961 N ALA A 125 -3.432 -15.661 3.122 1.00 0.00 N ATOM 1962 CA ALA A 125 -3.821 -16.654 4.115 1.00 0.00 C ATOM 1963 C ALA A 125 -4.677 -17.747 3.485 1.00 0.00 C ATOM 1964 O ALA A 125 -4.615 -18.908 3.888 1.00 0.00 O ATOM 1965 CB ALA A 125 -4.568 -15.991 5.261 1.00 0.00 C ATOM 0 H ALA A 125 -3.955 -14.787 3.173 1.00 0.00 H new ATOM 0 HA ALA A 125 -2.915 -17.116 4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -4.852 -16.745 5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -3.925 -15.249 5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.464 -15.503 4.877 1.00 0.00 H new ATOM 1971 N SER A 126 -5.474 -17.367 2.491 1.00 0.00 N ATOM 1972 CA SER A 126 -6.342 -18.314 1.803 1.00 0.00 C ATOM 1973 C SER A 126 -5.550 -19.161 0.811 1.00 0.00 C ATOM 1974 O SER A 126 -5.877 -20.323 0.573 1.00 0.00 O ATOM 1975 CB SER A 126 -7.465 -17.571 1.075 1.00 0.00 C ATOM 1976 OG SER A 126 -8.607 -17.437 1.902 1.00 0.00 O ATOM 0 H SER A 126 -5.536 -16.410 2.145 1.00 0.00 H new ATOM 0 HA SER A 126 -6.778 -18.977 2.550 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.115 -16.585 0.770 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.732 -18.109 0.166 1.00 0.00 H new ATOM 0 HG SER A 126 -9.309 -16.958 1.415 1.00 0.00 H new