USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 937 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 77 GLN : amide:sc= -0.168 K(o=-0.69,f=-3.7!) USER MOD Set 1.2: A 79 HIS : no HD1:sc= -0.522 K(o=-0.69,f=-1.3) USER MOD Set 2.1: A 59 CYS SG : rot 113:sc= -2.96! USER MOD Set 2.2: A 70 LYS NZ :NH3+ -157:sc= 0.158 (180deg=0) USER MOD Single : A 1 MET CE :methyl -167:sc= 0 (180deg=-0.0421) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -122:sc= -0.339 (180deg=-0.619) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 0.0784 (180deg=-0.0199) USER MOD Single : A 16 SER OG : rot -110:sc= -1.77! USER MOD Single : A 19 ASN : amide:sc= -3.66! C(o=-3.7!,f=-4.3!) USER MOD Single : A 20 THR OG1 : rot -47:sc= -1.67 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -178:sc= -6.25! (180deg=-6.28!) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.84! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0986 USER MOD Single : A 42 ASN :FLIP amide:sc=-0.00361 F(o=-0.76,f=-0.0036) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 140:sc= -1.47 (180deg=-4.28!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 85:sc= -1.75! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 80:sc= -3.93! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -161:sc= -2.22! USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.24) USER MOD Single : A 98 LYS NZ :NH3+ -154:sc=-0.00851 (180deg=-0.279) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 0:sc= 0.75 USER MOD Single : A 108 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.018) USER MOD Single : A 109 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.59) USER MOD Single : A 110 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.079) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HE2:sc= -2.14 K(o=-2.1,f=-2.8!) USER MOD Single : A 113 HIS :FLIP no HD1:sc= -0.464 F(o=-1.1,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.087 14.831 3.423 1.00 0.00 N ATOM 2 CA MET A 1 -16.886 13.673 2.932 1.00 0.00 C ATOM 3 C MET A 1 -16.346 12.381 3.548 1.00 0.00 C ATOM 4 O MET A 1 -17.087 11.572 4.068 1.00 0.00 O ATOM 5 CB MET A 1 -16.786 13.592 1.408 1.00 0.00 C ATOM 6 CG MET A 1 -17.689 12.467 0.895 1.00 0.00 C ATOM 7 SD MET A 1 -16.673 11.053 0.407 1.00 0.00 S ATOM 8 CE MET A 1 -16.112 11.713 -1.181 1.00 0.00 C ATOM 0 H1 MET A 1 -16.455 15.709 3.004 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.157 14.886 4.459 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.091 14.707 3.149 1.00 0.00 H new ATOM 0 HA MET A 1 -17.929 13.805 3.221 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.082 14.542 0.963 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.754 13.408 1.110 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.395 12.171 1.671 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.277 12.816 0.046 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.655 10.915 -1.766 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.963 12.120 -1.727 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.380 12.502 -1.009 1.00 0.00 H new ATOM 20 N GLU A 2 -15.057 12.181 3.495 1.00 0.00 N ATOM 21 CA GLU A 2 -14.472 10.940 4.079 1.00 0.00 C ATOM 22 C GLU A 2 -13.147 11.278 4.772 1.00 0.00 C ATOM 23 O GLU A 2 -12.513 12.261 4.446 1.00 0.00 O ATOM 24 CB GLU A 2 -14.218 9.922 2.965 1.00 0.00 C ATOM 25 CG GLU A 2 -13.338 10.554 1.885 1.00 0.00 C ATOM 26 CD GLU A 2 -13.695 9.959 0.522 1.00 0.00 C ATOM 27 OE1 GLU A 2 -14.677 9.238 0.451 1.00 0.00 O ATOM 28 OE2 GLU A 2 -12.982 10.235 -0.429 1.00 0.00 O ATOM 0 H GLU A 2 -14.385 12.822 3.073 1.00 0.00 H new ATOM 0 HA GLU A 2 -15.166 10.518 4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.732 9.036 3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -15.164 9.596 2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -13.481 11.634 1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.286 10.375 2.107 1.00 0.00 H new ATOM 35 N PRO A 3 -12.770 10.447 5.712 1.00 0.00 N ATOM 36 CA PRO A 3 -11.534 10.635 6.458 1.00 0.00 C ATOM 37 C PRO A 3 -10.363 10.855 5.495 1.00 0.00 C ATOM 38 O PRO A 3 -10.539 10.925 4.295 1.00 0.00 O ATOM 39 CB PRO A 3 -11.355 9.334 7.234 1.00 0.00 C ATOM 40 CG PRO A 3 -12.809 8.782 7.364 1.00 0.00 C ATOM 41 CD PRO A 3 -13.557 9.262 6.089 1.00 0.00 C ATOM 0 HA PRO A 3 -11.568 11.505 7.114 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.707 8.636 6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.903 9.508 8.211 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.810 7.694 7.432 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.291 9.158 8.266 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.558 8.505 5.305 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.598 9.510 6.294 1.00 0.00 H new ATOM 49 N LYS A 4 -9.170 10.966 6.012 1.00 0.00 N ATOM 50 CA LYS A 4 -7.992 11.180 5.126 1.00 0.00 C ATOM 51 C LYS A 4 -7.363 9.829 4.781 1.00 0.00 C ATOM 52 O LYS A 4 -6.322 9.468 5.296 1.00 0.00 O ATOM 53 CB LYS A 4 -6.962 12.053 5.847 1.00 0.00 C ATOM 54 CG LYS A 4 -7.574 13.422 6.148 1.00 0.00 C ATOM 55 CD LYS A 4 -6.734 14.136 7.210 1.00 0.00 C ATOM 56 CE LYS A 4 -7.198 15.588 7.336 1.00 0.00 C ATOM 57 NZ LYS A 4 -6.265 16.331 8.229 1.00 0.00 N ATOM 0 H LYS A 4 -8.961 10.918 7.009 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.312 11.677 4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.647 11.572 6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.072 12.169 5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.615 14.021 5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.599 13.304 6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.832 13.627 8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -5.679 14.102 6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.229 16.058 6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.210 15.624 7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.580 17.318 8.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.257 15.887 9.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.306 16.307 7.827 1.00 0.00 H new ATOM 71 N ARG A 5 -7.986 9.078 3.915 1.00 0.00 N ATOM 72 CA ARG A 5 -7.421 7.751 3.539 1.00 0.00 C ATOM 73 C ARG A 5 -7.423 6.830 4.761 1.00 0.00 C ATOM 74 O ARG A 5 -7.187 7.258 5.872 1.00 0.00 O ATOM 75 CB ARG A 5 -5.986 7.933 3.040 1.00 0.00 C ATOM 76 CG ARG A 5 -5.962 8.978 1.923 1.00 0.00 C ATOM 77 CD ARG A 5 -5.316 10.264 2.441 1.00 0.00 C ATOM 78 NE ARG A 5 -5.979 11.443 1.815 1.00 0.00 N ATOM 79 CZ ARG A 5 -6.172 11.474 0.524 1.00 0.00 C ATOM 80 NH1 ARG A 5 -5.180 11.233 -0.290 1.00 0.00 N ATOM 81 NH2 ARG A 5 -7.355 11.747 0.047 1.00 0.00 N ATOM 0 H ARG A 5 -8.861 9.325 3.452 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.028 7.307 2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.342 8.248 3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.594 6.984 2.673 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.405 8.598 1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.976 9.181 1.579 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.406 10.317 3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.251 10.267 2.209 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.282 12.225 2.395 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.255 11.021 0.083 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.330 11.257 -1.299 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.130 11.936 0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -7.505 11.771 -0.962 1.00 0.00 H new ATOM 95 N ILE A 6 -7.688 5.567 4.564 1.00 0.00 N ATOM 96 CA ILE A 6 -7.705 4.622 5.716 1.00 0.00 C ATOM 97 C ILE A 6 -6.406 4.769 6.512 1.00 0.00 C ATOM 98 O ILE A 6 -6.385 5.335 7.587 1.00 0.00 O ATOM 99 CB ILE A 6 -7.825 3.185 5.200 1.00 0.00 C ATOM 100 CG1 ILE A 6 -9.043 3.069 4.281 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.991 2.231 6.384 1.00 0.00 C ATOM 102 CD1 ILE A 6 -10.302 3.485 5.045 1.00 0.00 C ATOM 0 H ILE A 6 -7.893 5.150 3.656 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.556 4.848 6.358 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.925 2.925 4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.911 3.703 3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.145 2.045 3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.077 1.208 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.124 2.310 7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.891 2.494 6.940 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.169 3.402 4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.436 2.833 5.908 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.199 4.517 5.382 1.00 0.00 H new ATOM 114 N ARG A 7 -5.320 4.266 5.991 1.00 0.00 N ATOM 115 CA ARG A 7 -4.021 4.378 6.710 1.00 0.00 C ATOM 116 C ARG A 7 -3.079 5.276 5.909 1.00 0.00 C ATOM 117 O ARG A 7 -3.065 5.243 4.696 1.00 0.00 O ATOM 118 CB ARG A 7 -3.401 2.988 6.859 1.00 0.00 C ATOM 119 CG ARG A 7 -3.476 2.555 8.321 1.00 0.00 C ATOM 120 CD ARG A 7 -2.150 2.864 9.011 1.00 0.00 C ATOM 121 NE ARG A 7 -2.389 3.789 10.154 1.00 0.00 N ATOM 122 CZ ARG A 7 -3.214 3.447 11.106 1.00 0.00 C ATOM 123 NH1 ARG A 7 -2.871 2.525 11.965 1.00 0.00 N ATOM 124 NH2 ARG A 7 -4.379 4.026 11.200 1.00 0.00 N ATOM 0 H ARG A 7 -5.277 3.781 5.095 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.183 4.809 7.698 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.929 2.272 6.229 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.364 3.002 6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.290 3.076 8.824 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.692 1.489 8.385 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.689 1.942 9.366 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.456 3.316 8.303 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.909 4.688 10.193 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.959 2.073 11.891 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.515 2.257 12.709 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.646 4.747 10.529 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.023 3.758 11.944 1.00 0.00 H new ATOM 138 N GLU A 8 -2.294 6.083 6.569 1.00 0.00 N ATOM 139 CA GLU A 8 -1.367 6.977 5.821 1.00 0.00 C ATOM 140 C GLU A 8 -0.109 7.241 6.647 1.00 0.00 C ATOM 141 O GLU A 8 -0.172 7.571 7.815 1.00 0.00 O ATOM 142 CB GLU A 8 -2.065 8.303 5.522 1.00 0.00 C ATOM 143 CG GLU A 8 -2.836 8.768 6.758 1.00 0.00 C ATOM 144 CD GLU A 8 -4.235 8.149 6.753 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.535 7.415 5.826 1.00 0.00 O ATOM 146 OE2 GLU A 8 -4.983 8.420 7.677 1.00 0.00 O ATOM 0 H GLU A 8 -2.254 6.162 7.585 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.085 6.491 4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.330 9.055 5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.746 8.185 4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.302 8.477 7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.909 9.856 6.766 1.00 0.00 H new ATOM 153 N GLY A 9 1.034 7.103 6.037 1.00 0.00 N ATOM 154 CA GLY A 9 2.311 7.347 6.759 1.00 0.00 C ATOM 155 C GLY A 9 3.408 7.637 5.734 1.00 0.00 C ATOM 156 O GLY A 9 3.169 8.256 4.716 1.00 0.00 O ATOM 0 H GLY A 9 1.138 6.829 5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.203 8.188 7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.577 6.478 7.361 1.00 0.00 H new ATOM 160 N TYR A 10 4.604 7.193 5.987 1.00 0.00 N ATOM 161 CA TYR A 10 5.712 7.444 5.020 1.00 0.00 C ATOM 162 C TYR A 10 6.663 6.244 4.991 1.00 0.00 C ATOM 163 O TYR A 10 7.460 6.047 5.887 1.00 0.00 O ATOM 164 CB TYR A 10 6.481 8.701 5.437 1.00 0.00 C ATOM 165 CG TYR A 10 7.201 8.452 6.738 1.00 0.00 C ATOM 166 CD1 TYR A 10 6.472 8.160 7.898 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.600 8.517 6.788 1.00 0.00 C ATOM 168 CE1 TYR A 10 7.142 7.933 9.107 1.00 0.00 C ATOM 169 CE2 TYR A 10 9.269 8.290 7.996 1.00 0.00 C ATOM 170 CZ TYR A 10 8.540 7.998 9.156 1.00 0.00 C ATOM 171 OH TYR A 10 9.199 7.774 10.348 1.00 0.00 O ATOM 0 H TYR A 10 4.866 6.667 6.821 1.00 0.00 H new ATOM 0 HA TYR A 10 5.292 7.589 4.025 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.197 8.975 4.662 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.793 9.540 5.546 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.394 8.110 7.860 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.162 8.742 5.894 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.580 7.708 10.002 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.347 8.340 8.034 1.00 0.00 H new ATOM 0 HH TYR A 10 10.165 7.856 10.208 1.00 0.00 H new ATOM 181 N LEU A 11 6.591 5.444 3.961 1.00 0.00 N ATOM 182 CA LEU A 11 7.495 4.261 3.863 1.00 0.00 C ATOM 183 C LEU A 11 8.406 4.439 2.653 1.00 0.00 C ATOM 184 O LEU A 11 8.300 5.399 1.926 1.00 0.00 O ATOM 185 CB LEU A 11 6.678 2.975 3.659 1.00 0.00 C ATOM 186 CG LEU A 11 5.671 2.715 4.800 1.00 0.00 C ATOM 187 CD1 LEU A 11 5.851 3.687 5.972 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.256 2.853 4.235 1.00 0.00 C ATOM 0 H LEU A 11 5.944 5.559 3.181 1.00 0.00 H new ATOM 0 HA LEU A 11 8.073 4.183 4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.139 3.039 2.714 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.358 2.127 3.581 1.00 0.00 H new ATOM 0 HG LEU A 11 5.846 1.711 5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.119 3.462 6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.856 3.582 6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.706 4.709 5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.529 2.673 5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.119 3.859 3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.111 2.126 3.436 1.00 0.00 H new ATOM 200 N VAL A 12 9.284 3.505 2.416 1.00 0.00 N ATOM 201 CA VAL A 12 10.178 3.609 1.232 1.00 0.00 C ATOM 202 C VAL A 12 9.826 2.475 0.269 1.00 0.00 C ATOM 203 O VAL A 12 9.800 1.319 0.642 1.00 0.00 O ATOM 204 CB VAL A 12 11.646 3.502 1.668 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.799 2.389 2.702 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.524 3.192 0.452 1.00 0.00 C ATOM 0 H VAL A 12 9.420 2.674 2.992 1.00 0.00 H new ATOM 0 HA VAL A 12 10.041 4.572 0.740 1.00 0.00 H new ATOM 0 HB VAL A 12 11.957 4.449 2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.843 2.317 3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.181 2.612 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.483 1.441 2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.565 3.117 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.210 2.248 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.423 3.991 -0.283 1.00 0.00 H new ATOM 216 N LYS A 13 9.532 2.795 -0.961 1.00 0.00 N ATOM 217 CA LYS A 13 9.158 1.728 -1.931 1.00 0.00 C ATOM 218 C LYS A 13 10.292 1.509 -2.930 1.00 0.00 C ATOM 219 O LYS A 13 10.957 2.437 -3.347 1.00 0.00 O ATOM 220 CB LYS A 13 7.890 2.143 -2.683 1.00 0.00 C ATOM 221 CG LYS A 13 6.716 2.212 -1.704 1.00 0.00 C ATOM 222 CD LYS A 13 5.558 1.365 -2.235 1.00 0.00 C ATOM 223 CE LYS A 13 5.182 0.306 -1.198 1.00 0.00 C ATOM 224 NZ LYS A 13 3.884 -0.320 -1.574 1.00 0.00 N ATOM 0 H LYS A 13 9.534 3.744 -1.335 1.00 0.00 H new ATOM 0 HA LYS A 13 8.976 0.801 -1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.038 3.112 -3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.674 1.427 -3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.025 1.851 -0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.396 3.246 -1.576 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.698 2.000 -2.450 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.843 0.886 -3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.961 -0.454 -1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.106 0.760 -0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.201 -0.194 -0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.518 0.132 -2.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.026 -1.335 -1.749 1.00 0.00 H new ATOM 238 N LYS A 14 10.515 0.286 -3.318 1.00 0.00 N ATOM 239 CA LYS A 14 11.603 0.001 -4.294 1.00 0.00 C ATOM 240 C LYS A 14 11.061 0.149 -5.717 1.00 0.00 C ATOM 241 O LYS A 14 10.238 -0.626 -6.160 1.00 0.00 O ATOM 242 CB LYS A 14 12.110 -1.428 -4.091 1.00 0.00 C ATOM 243 CG LYS A 14 13.598 -1.499 -4.436 1.00 0.00 C ATOM 244 CD LYS A 14 13.790 -1.267 -5.936 1.00 0.00 C ATOM 245 CE LYS A 14 13.213 -2.450 -6.719 1.00 0.00 C ATOM 246 NZ LYS A 14 12.563 -1.952 -7.964 1.00 0.00 N ATOM 0 H LYS A 14 9.991 -0.530 -3.002 1.00 0.00 H new ATOM 0 HA LYS A 14 12.422 0.703 -4.140 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.951 -1.738 -3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.547 -2.117 -4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.149 -0.749 -3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.001 -2.472 -4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.296 -0.343 -6.237 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.850 -1.150 -6.163 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.005 -3.157 -6.967 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.488 -2.986 -6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.322 -2.758 -8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.696 -1.432 -7.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.216 -1.318 -8.467 1.00 0.00 H new ATOM 260 N GLY A 15 11.516 1.137 -6.438 1.00 0.00 N ATOM 261 CA GLY A 15 11.023 1.329 -7.831 1.00 0.00 C ATOM 262 C GLY A 15 11.395 2.729 -8.320 1.00 0.00 C ATOM 263 O GLY A 15 10.624 3.388 -8.989 1.00 0.00 O ATOM 0 H GLY A 15 12.207 1.818 -6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.458 0.576 -8.488 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.942 1.196 -7.866 1.00 0.00 H new ATOM 267 N SER A 16 12.572 3.188 -7.994 1.00 0.00 N ATOM 268 CA SER A 16 12.992 4.547 -8.443 1.00 0.00 C ATOM 269 C SER A 16 13.451 4.481 -9.901 1.00 0.00 C ATOM 270 O SER A 16 13.013 5.248 -10.736 1.00 0.00 O ATOM 271 CB SER A 16 14.144 5.038 -7.567 1.00 0.00 C ATOM 272 OG SER A 16 14.327 6.433 -7.770 1.00 0.00 O ATOM 0 H SER A 16 13.261 2.682 -7.437 1.00 0.00 H new ATOM 0 HA SER A 16 12.152 5.236 -8.357 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.929 4.837 -6.517 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.059 4.500 -7.814 1.00 0.00 H new ATOM 0 HG SER A 16 15.168 6.586 -8.250 1.00 0.00 H new ATOM 278 N VAL A 17 14.331 3.570 -10.214 1.00 0.00 N ATOM 279 CA VAL A 17 14.818 3.453 -11.617 1.00 0.00 C ATOM 280 C VAL A 17 15.147 1.990 -11.922 1.00 0.00 C ATOM 281 O VAL A 17 14.766 1.457 -12.945 1.00 0.00 O ATOM 282 CB VAL A 17 16.076 4.305 -11.794 1.00 0.00 C ATOM 283 CG1 VAL A 17 15.685 5.781 -11.884 1.00 0.00 C ATOM 284 CG2 VAL A 17 17.003 4.096 -10.594 1.00 0.00 C ATOM 0 H VAL A 17 14.734 2.901 -9.558 1.00 0.00 H new ATOM 0 HA VAL A 17 14.044 3.802 -12.300 1.00 0.00 H new ATOM 0 HB VAL A 17 16.590 4.010 -12.709 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.582 6.388 -12.010 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.023 5.931 -12.737 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.172 6.078 -10.969 1.00 0.00 H new ATOM 0 HG21 VAL A 17 17.900 4.702 -10.718 1.00 0.00 H new ATOM 0 HG22 VAL A 17 16.488 4.393 -9.680 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.282 3.044 -10.528 1.00 0.00 H new ATOM 294 N PHE A 18 15.851 1.335 -11.040 1.00 0.00 N ATOM 295 CA PHE A 18 16.201 -0.093 -11.277 1.00 0.00 C ATOM 296 C PHE A 18 15.989 -0.889 -9.989 1.00 0.00 C ATOM 297 O PHE A 18 15.003 -1.581 -9.830 1.00 0.00 O ATOM 298 CB PHE A 18 17.667 -0.195 -11.707 1.00 0.00 C ATOM 299 CG PHE A 18 17.760 -0.973 -12.999 1.00 0.00 C ATOM 300 CD1 PHE A 18 16.845 -0.728 -14.033 1.00 0.00 C ATOM 301 CD2 PHE A 18 18.761 -1.940 -13.163 1.00 0.00 C ATOM 302 CE1 PHE A 18 16.932 -1.450 -15.231 1.00 0.00 C ATOM 303 CE2 PHE A 18 18.847 -2.663 -14.362 1.00 0.00 C ATOM 304 CZ PHE A 18 17.933 -2.418 -15.395 1.00 0.00 C ATOM 0 H PHE A 18 16.199 1.728 -10.165 1.00 0.00 H new ATOM 0 HA PHE A 18 15.564 -0.498 -12.063 1.00 0.00 H new ATOM 0 HB2 PHE A 18 18.089 0.801 -11.839 1.00 0.00 H new ATOM 0 HB3 PHE A 18 18.251 -0.688 -10.930 1.00 0.00 H new ATOM 0 HD1 PHE A 18 16.073 0.017 -13.906 1.00 0.00 H new ATOM 0 HD2 PHE A 18 19.466 -2.128 -12.367 1.00 0.00 H new ATOM 0 HE1 PHE A 18 16.228 -1.261 -16.028 1.00 0.00 H new ATOM 0 HE2 PHE A 18 19.618 -3.409 -14.489 1.00 0.00 H new ATOM 0 HZ PHE A 18 17.999 -2.975 -16.318 1.00 0.00 H new ATOM 314 N ASN A 19 16.904 -0.792 -9.066 1.00 0.00 N ATOM 315 CA ASN A 19 16.754 -1.536 -7.785 1.00 0.00 C ATOM 316 C ASN A 19 17.168 -0.627 -6.628 1.00 0.00 C ATOM 317 O ASN A 19 18.194 -0.821 -6.008 1.00 0.00 O ATOM 318 CB ASN A 19 17.649 -2.778 -7.808 1.00 0.00 C ATOM 319 CG ASN A 19 17.540 -3.460 -9.173 1.00 0.00 C ATOM 320 OD1 ASN A 19 16.507 -3.407 -9.810 1.00 0.00 O ATOM 321 ND2 ASN A 19 18.569 -4.103 -9.652 1.00 0.00 N ATOM 0 H ASN A 19 17.751 -0.229 -9.144 1.00 0.00 H new ATOM 0 HA ASN A 19 15.716 -1.843 -7.656 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.684 -2.497 -7.611 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.351 -3.469 -7.019 1.00 0.00 H new ATOM 0 HD21 ASN A 19 18.506 -4.561 -10.561 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.437 -4.148 -9.117 1.00 0.00 H new ATOM 328 N THR A 20 16.380 0.373 -6.339 1.00 0.00 N ATOM 329 CA THR A 20 16.733 1.300 -5.229 1.00 0.00 C ATOM 330 C THR A 20 15.563 1.419 -4.254 1.00 0.00 C ATOM 331 O THR A 20 14.421 1.200 -4.606 1.00 0.00 O ATOM 332 CB THR A 20 17.047 2.680 -5.804 1.00 0.00 C ATOM 333 OG1 THR A 20 15.831 3.368 -6.065 1.00 0.00 O ATOM 334 CG2 THR A 20 17.838 2.526 -7.104 1.00 0.00 C ATOM 0 H THR A 20 15.508 0.587 -6.824 1.00 0.00 H new ATOM 0 HA THR A 20 17.603 0.909 -4.701 1.00 0.00 H new ATOM 0 HB THR A 20 17.640 3.247 -5.087 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.214 2.773 -6.540 1.00 0.00 H new ATOM 0 HG21 THR A 20 18.061 3.511 -7.513 1.00 0.00 H new ATOM 0 HG22 THR A 20 18.770 1.997 -6.903 1.00 0.00 H new ATOM 0 HG23 THR A 20 17.248 1.960 -7.824 1.00 0.00 H new ATOM 342 N TRP A 21 15.842 1.774 -3.031 1.00 0.00 N ATOM 343 CA TRP A 21 14.755 1.919 -2.026 1.00 0.00 C ATOM 344 C TRP A 21 14.707 3.368 -1.543 1.00 0.00 C ATOM 345 O TRP A 21 15.470 3.773 -0.688 1.00 0.00 O ATOM 346 CB TRP A 21 15.032 0.992 -0.843 1.00 0.00 C ATOM 347 CG TRP A 21 14.705 -0.411 -1.233 1.00 0.00 C ATOM 348 CD1 TRP A 21 15.474 -1.201 -2.018 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.534 -1.200 -0.877 1.00 0.00 C ATOM 350 NE1 TRP A 21 14.851 -2.429 -2.161 1.00 0.00 N ATOM 351 CE2 TRP A 21 13.652 -2.476 -1.477 1.00 0.00 C ATOM 352 CE3 TRP A 21 12.393 -0.935 -0.097 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.671 -3.453 -1.310 1.00 0.00 C ATOM 354 CZ3 TRP A 21 11.403 -1.916 0.074 1.00 0.00 C ATOM 355 CH2 TRP A 21 11.543 -3.173 -0.532 1.00 0.00 C ATOM 0 H TRP A 21 16.781 1.971 -2.684 1.00 0.00 H new ATOM 0 HA TRP A 21 13.798 1.654 -2.476 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.078 1.065 -0.545 1.00 0.00 H new ATOM 0 HB3 TRP A 21 14.434 1.292 0.017 1.00 0.00 H new ATOM 0 HD1 TRP A 21 16.418 -0.920 -2.460 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.231 -3.204 -2.705 1.00 0.00 H new ATOM 0 HE3 TRP A 21 12.278 0.030 0.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 12.782 -4.420 -1.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.531 -1.702 0.674 1.00 0.00 H new ATOM 0 HH2 TRP A 21 10.780 -3.925 -0.398 1.00 0.00 H new ATOM 366 N LYS A 22 13.823 4.156 -2.089 1.00 0.00 N ATOM 367 CA LYS A 22 13.736 5.580 -1.664 1.00 0.00 C ATOM 368 C LYS A 22 12.426 5.812 -0.893 1.00 0.00 C ATOM 369 O LYS A 22 11.374 5.372 -1.320 1.00 0.00 O ATOM 370 CB LYS A 22 13.770 6.475 -2.905 1.00 0.00 C ATOM 371 CG LYS A 22 14.846 5.967 -3.871 1.00 0.00 C ATOM 372 CD LYS A 22 15.094 7.013 -4.959 1.00 0.00 C ATOM 373 CE LYS A 22 16.475 6.789 -5.579 1.00 0.00 C ATOM 374 NZ LYS A 22 17.510 7.464 -4.745 1.00 0.00 N ATOM 0 H LYS A 22 13.158 3.876 -2.810 1.00 0.00 H new ATOM 0 HA LYS A 22 14.578 5.821 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.796 6.473 -3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.981 7.505 -2.618 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.770 5.765 -3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.529 5.027 -4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.324 6.944 -5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.032 8.015 -4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.686 5.722 -5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.498 7.183 -6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.449 7.312 -5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.311 8.484 -4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.494 7.068 -3.784 1.00 0.00 H new ATOM 388 N PRO A 23 12.527 6.495 0.226 1.00 0.00 N ATOM 389 CA PRO A 23 11.365 6.790 1.058 1.00 0.00 C ATOM 390 C PRO A 23 10.266 7.461 0.228 1.00 0.00 C ATOM 391 O PRO A 23 10.461 7.805 -0.921 1.00 0.00 O ATOM 392 CB PRO A 23 11.887 7.747 2.124 1.00 0.00 C ATOM 393 CG PRO A 23 13.416 7.443 2.177 1.00 0.00 C ATOM 394 CD PRO A 23 13.806 7.012 0.736 1.00 0.00 C ATOM 0 HA PRO A 23 10.926 5.890 1.488 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.694 8.786 1.858 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.410 7.571 3.088 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.980 8.322 2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.634 6.653 2.895 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.175 7.849 0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.586 6.251 0.733 1.00 0.00 H new ATOM 402 N MET A 24 9.112 7.651 0.807 1.00 0.00 N ATOM 403 CA MET A 24 7.995 8.299 0.071 1.00 0.00 C ATOM 404 C MET A 24 6.744 8.306 0.944 1.00 0.00 C ATOM 405 O MET A 24 6.634 7.560 1.901 1.00 0.00 O ATOM 406 CB MET A 24 7.695 7.519 -1.208 1.00 0.00 C ATOM 407 CG MET A 24 7.218 6.109 -0.865 1.00 0.00 C ATOM 408 SD MET A 24 7.402 5.047 -2.318 1.00 0.00 S ATOM 409 CE MET A 24 5.727 5.254 -2.968 1.00 0.00 C ATOM 0 H MET A 24 8.896 7.382 1.767 1.00 0.00 H new ATOM 0 HA MET A 24 8.282 9.320 -0.179 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.932 8.038 -1.789 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.589 7.467 -1.830 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.797 5.709 -0.032 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.176 6.132 -0.547 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.606 4.645 -3.864 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.003 4.940 -2.216 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.560 6.302 -3.217 1.00 0.00 H new ATOM 419 N TRP A 25 5.790 9.128 0.611 1.00 0.00 N ATOM 420 CA TRP A 25 4.539 9.169 1.408 1.00 0.00 C ATOM 421 C TRP A 25 3.571 8.159 0.824 1.00 0.00 C ATOM 422 O TRP A 25 3.618 7.844 -0.349 1.00 0.00 O ATOM 423 CB TRP A 25 3.927 10.565 1.340 1.00 0.00 C ATOM 424 CG TRP A 25 2.813 10.675 2.331 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.498 10.744 2.018 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.890 10.727 3.785 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.765 10.846 3.187 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.578 10.836 4.303 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.964 10.691 4.696 1.00 0.00 C ATOM 430 CZ2 TRP A 25 1.339 10.909 5.677 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.727 10.761 6.080 1.00 0.00 C ATOM 432 CH2 TRP A 25 2.417 10.871 6.569 1.00 0.00 C ATOM 0 H TRP A 25 5.824 9.772 -0.179 1.00 0.00 H new ATOM 0 HA TRP A 25 4.751 8.931 2.450 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.688 11.317 1.549 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.553 10.760 0.335 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.088 10.723 1.019 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.252 10.920 3.220 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.976 10.609 4.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 0.329 10.994 6.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.557 10.730 6.770 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.240 10.926 7.633 1.00 0.00 H new ATOM 443 N VAL A 26 2.712 7.622 1.631 1.00 0.00 N ATOM 444 CA VAL A 26 1.776 6.607 1.108 1.00 0.00 C ATOM 445 C VAL A 26 0.471 6.632 1.907 1.00 0.00 C ATOM 446 O VAL A 26 0.459 6.897 3.092 1.00 0.00 O ATOM 447 CB VAL A 26 2.468 5.240 1.192 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.374 5.196 2.423 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.431 4.114 1.266 1.00 0.00 C ATOM 0 H VAL A 26 2.618 7.840 2.623 1.00 0.00 H new ATOM 0 HA VAL A 26 1.517 6.816 0.070 1.00 0.00 H new ATOM 0 HB VAL A 26 3.069 5.097 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.864 4.224 2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.129 5.979 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.776 5.354 3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.941 3.153 1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.809 4.250 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.804 4.138 0.375 1.00 0.00 H new ATOM 459 N VAL A 27 -0.632 6.367 1.258 1.00 0.00 N ATOM 460 CA VAL A 27 -1.941 6.382 1.967 1.00 0.00 C ATOM 461 C VAL A 27 -2.855 5.305 1.378 1.00 0.00 C ATOM 462 O VAL A 27 -3.369 5.443 0.285 1.00 0.00 O ATOM 463 CB VAL A 27 -2.596 7.754 1.791 1.00 0.00 C ATOM 464 CG1 VAL A 27 -1.849 8.790 2.632 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.539 8.160 0.317 1.00 0.00 C ATOM 0 H VAL A 27 -0.681 6.140 0.265 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.783 6.184 3.027 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.635 7.703 2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.316 9.767 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.888 8.502 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.810 8.841 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.005 9.137 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.499 8.209 -0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.072 7.423 -0.284 1.00 0.00 H new ATOM 475 N LEU A 28 -3.063 4.236 2.093 1.00 0.00 N ATOM 476 CA LEU A 28 -3.947 3.155 1.572 1.00 0.00 C ATOM 477 C LEU A 28 -5.412 3.556 1.766 1.00 0.00 C ATOM 478 O LEU A 28 -5.879 3.716 2.877 1.00 0.00 O ATOM 479 CB LEU A 28 -3.669 1.854 2.329 1.00 0.00 C ATOM 480 CG LEU A 28 -3.785 2.097 3.835 1.00 0.00 C ATOM 481 CD1 LEU A 28 -5.009 1.358 4.378 1.00 0.00 C ATOM 482 CD2 LEU A 28 -2.526 1.573 4.530 1.00 0.00 C ATOM 0 H LEU A 28 -2.660 4.063 3.014 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.748 3.005 0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.376 1.084 2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.672 1.487 2.086 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.891 3.165 4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.092 1.531 5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.906 1.726 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.902 0.290 4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.605 1.744 5.604 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.423 0.505 4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.652 2.096 4.142 1.00 0.00 H new ATOM 494 N LEU A 29 -6.139 3.721 0.694 1.00 0.00 N ATOM 495 CA LEU A 29 -7.572 4.114 0.817 1.00 0.00 C ATOM 496 C LEU A 29 -8.464 2.901 0.545 1.00 0.00 C ATOM 497 O LEU A 29 -8.015 1.886 0.052 1.00 0.00 O ATOM 498 CB LEU A 29 -7.891 5.216 -0.194 1.00 0.00 C ATOM 499 CG LEU A 29 -6.817 6.302 -0.123 1.00 0.00 C ATOM 500 CD1 LEU A 29 -5.802 6.088 -1.245 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.471 7.677 -0.286 1.00 0.00 C ATOM 0 H LEU A 29 -5.803 3.601 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.758 4.482 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.935 4.799 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.871 5.645 0.017 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.311 6.250 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.036 6.862 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.337 5.109 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.309 6.140 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.706 8.452 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.976 7.728 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.197 7.831 0.512 1.00 0.00 H new ATOM 513 N GLU A 30 -9.725 3.005 0.858 1.00 0.00 N ATOM 514 CA GLU A 30 -10.651 1.864 0.618 1.00 0.00 C ATOM 515 C GLU A 30 -10.930 1.750 -0.880 1.00 0.00 C ATOM 516 O GLU A 30 -11.382 0.732 -1.362 1.00 0.00 O ATOM 517 CB GLU A 30 -11.966 2.109 1.362 1.00 0.00 C ATOM 518 CG GLU A 30 -12.559 3.448 0.919 1.00 0.00 C ATOM 519 CD GLU A 30 -14.055 3.477 1.238 1.00 0.00 C ATOM 520 OE1 GLU A 30 -14.647 2.413 1.310 1.00 0.00 O ATOM 521 OE2 GLU A 30 -14.584 4.564 1.405 1.00 0.00 O ATOM 0 H GLU A 30 -10.155 3.833 1.271 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.196 0.941 0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.669 1.302 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.792 2.114 2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.052 4.268 1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.402 3.591 -0.150 1.00 0.00 H new ATOM 528 N ASP A 31 -10.661 2.787 -1.622 1.00 0.00 N ATOM 529 CA ASP A 31 -10.911 2.735 -3.090 1.00 0.00 C ATOM 530 C ASP A 31 -9.589 2.496 -3.820 1.00 0.00 C ATOM 531 O ASP A 31 -9.516 2.572 -5.031 1.00 0.00 O ATOM 532 CB ASP A 31 -11.517 4.060 -3.552 1.00 0.00 C ATOM 533 CG ASP A 31 -10.636 5.217 -3.076 1.00 0.00 C ATOM 534 OD1 ASP A 31 -9.485 5.262 -3.477 1.00 0.00 O ATOM 535 OD2 ASP A 31 -11.128 6.037 -2.319 1.00 0.00 O ATOM 0 H ASP A 31 -10.279 3.668 -1.277 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.603 1.923 -3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.600 4.075 -4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.526 4.169 -3.154 1.00 0.00 H new ATOM 540 N GLY A 32 -8.543 2.208 -3.095 1.00 0.00 N ATOM 541 CA GLY A 32 -7.228 1.963 -3.751 1.00 0.00 C ATOM 542 C GLY A 32 -6.116 2.599 -2.918 1.00 0.00 C ATOM 543 O GLY A 32 -6.313 3.610 -2.273 1.00 0.00 O ATOM 0 H GLY A 32 -8.542 2.132 -2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.054 0.892 -3.852 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.228 2.382 -4.757 1.00 0.00 H new ATOM 547 N ILE A 33 -4.949 2.018 -2.924 1.00 0.00 N ATOM 548 CA ILE A 33 -3.827 2.594 -2.130 1.00 0.00 C ATOM 549 C ILE A 33 -2.983 3.499 -3.027 1.00 0.00 C ATOM 550 O ILE A 33 -2.268 3.039 -3.896 1.00 0.00 O ATOM 551 CB ILE A 33 -2.956 1.464 -1.579 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.798 0.572 -0.663 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.794 2.058 -0.781 1.00 0.00 C ATOM 554 CD1 ILE A 33 -4.270 -0.657 -1.442 1.00 0.00 C ATOM 0 H ILE A 33 -4.723 1.170 -3.444 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.230 3.176 -1.301 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.564 0.871 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.211 0.264 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.656 1.128 -0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.173 1.253 -0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.194 2.695 -1.431 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.186 2.650 0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.870 -1.293 -0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.872 -0.339 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.405 -1.216 -1.798 1.00 0.00 H new ATOM 566 N GLU A 34 -3.053 4.785 -2.819 1.00 0.00 N ATOM 567 CA GLU A 34 -2.248 5.720 -3.654 1.00 0.00 C ATOM 568 C GLU A 34 -1.161 6.346 -2.785 1.00 0.00 C ATOM 569 O GLU A 34 -1.439 6.936 -1.759 1.00 0.00 O ATOM 570 CB GLU A 34 -3.154 6.820 -4.211 1.00 0.00 C ATOM 571 CG GLU A 34 -3.564 7.765 -3.080 1.00 0.00 C ATOM 572 CD GLU A 34 -4.956 8.333 -3.366 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.437 8.140 -4.471 1.00 0.00 O ATOM 574 OE2 GLU A 34 -5.516 8.951 -2.477 1.00 0.00 O ATOM 0 H GLU A 34 -3.633 5.229 -2.107 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.793 5.177 -4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.633 7.374 -4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.039 6.379 -4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.566 7.232 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.841 8.576 -2.989 1.00 0.00 H new ATOM 581 N PHE A 35 0.076 6.214 -3.172 1.00 0.00 N ATOM 582 CA PHE A 35 1.166 6.796 -2.344 1.00 0.00 C ATOM 583 C PHE A 35 1.975 7.804 -3.164 1.00 0.00 C ATOM 584 O PHE A 35 2.215 7.615 -4.339 1.00 0.00 O ATOM 585 CB PHE A 35 2.078 5.673 -1.846 1.00 0.00 C ATOM 586 CG PHE A 35 2.238 4.619 -2.915 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.135 4.829 -3.970 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.499 3.431 -2.849 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.295 3.850 -4.959 1.00 0.00 C ATOM 590 CE2 PHE A 35 1.661 2.450 -3.837 1.00 0.00 C ATOM 591 CZ PHE A 35 2.559 2.661 -4.892 1.00 0.00 C ATOM 0 H PHE A 35 0.378 5.732 -4.019 1.00 0.00 H new ATOM 0 HA PHE A 35 0.730 7.315 -1.491 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.053 6.079 -1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.658 5.226 -0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.703 5.746 -4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.805 3.271 -2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.986 4.012 -5.773 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.094 1.532 -3.785 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.683 1.906 -5.654 1.00 0.00 H new ATOM 601 N TYR A 36 2.402 8.874 -2.544 1.00 0.00 N ATOM 602 CA TYR A 36 3.202 9.900 -3.272 1.00 0.00 C ATOM 603 C TYR A 36 4.574 10.027 -2.607 1.00 0.00 C ATOM 604 O TYR A 36 5.078 9.095 -2.013 1.00 0.00 O ATOM 605 CB TYR A 36 2.497 11.261 -3.205 1.00 0.00 C ATOM 606 CG TYR A 36 0.997 11.084 -3.249 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.320 10.531 -2.152 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.281 11.481 -4.385 1.00 0.00 C ATOM 609 CE1 TYR A 36 -1.072 10.376 -2.196 1.00 0.00 C ATOM 610 CE2 TYR A 36 -1.109 11.325 -4.428 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.787 10.773 -3.334 1.00 0.00 C ATOM 612 OH TYR A 36 -3.158 10.621 -3.376 1.00 0.00 O ATOM 0 H TYR A 36 2.229 9.081 -1.560 1.00 0.00 H new ATOM 0 HA TYR A 36 3.309 9.596 -4.313 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.781 11.779 -2.289 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.820 11.886 -4.038 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.871 10.225 -1.275 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.802 11.908 -5.229 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.594 9.950 -1.352 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.659 11.631 -5.306 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.497 10.947 -4.236 1.00 0.00 H new ATOM 622 N LYS A 37 5.173 11.183 -2.692 1.00 0.00 N ATOM 623 CA LYS A 37 6.504 11.385 -2.053 1.00 0.00 C ATOM 624 C LYS A 37 6.296 12.066 -0.699 1.00 0.00 C ATOM 625 O LYS A 37 6.944 11.748 0.279 1.00 0.00 O ATOM 626 CB LYS A 37 7.371 12.274 -2.947 1.00 0.00 C ATOM 627 CG LYS A 37 8.672 11.544 -3.287 1.00 0.00 C ATOM 628 CD LYS A 37 9.766 11.964 -2.304 1.00 0.00 C ATOM 629 CE LYS A 37 10.116 13.436 -2.528 1.00 0.00 C ATOM 630 NZ LYS A 37 11.534 13.675 -2.137 1.00 0.00 N ATOM 0 H LYS A 37 4.797 11.998 -3.177 1.00 0.00 H new ATOM 0 HA LYS A 37 7.002 10.425 -1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.832 12.524 -3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.591 13.213 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.520 10.466 -3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.976 11.777 -4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.427 11.812 -1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.652 11.344 -2.442 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.967 13.701 -3.575 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.454 14.072 -1.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.772 14.676 -2.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.662 13.438 -1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.159 13.079 -2.716 1.00 0.00 H new ATOM 644 N LYS A 38 5.381 12.993 -0.638 1.00 0.00 N ATOM 645 CA LYS A 38 5.102 13.697 0.645 1.00 0.00 C ATOM 646 C LYS A 38 3.640 13.450 1.023 1.00 0.00 C ATOM 647 O LYS A 38 2.940 12.719 0.355 1.00 0.00 O ATOM 648 CB LYS A 38 5.343 15.198 0.470 1.00 0.00 C ATOM 649 CG LYS A 38 6.816 15.512 0.741 1.00 0.00 C ATOM 650 CD LYS A 38 7.409 16.257 -0.456 1.00 0.00 C ATOM 651 CE LYS A 38 7.700 17.706 -0.062 1.00 0.00 C ATOM 652 NZ LYS A 38 7.469 18.596 -1.235 1.00 0.00 N ATOM 0 H LYS A 38 4.810 13.295 -1.428 1.00 0.00 H new ATOM 0 HA LYS A 38 5.760 13.323 1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.074 15.505 -0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.708 15.761 1.154 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.910 16.118 1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.369 14.589 0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.326 15.767 -0.785 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.714 16.230 -1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.058 18.005 0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.730 17.801 0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.667 19.581 -0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.099 18.315 -2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.479 18.513 -1.544 1.00 0.00 H new ATOM 666 N LYS A 39 3.168 14.050 2.084 1.00 0.00 N ATOM 667 CA LYS A 39 1.747 13.830 2.482 1.00 0.00 C ATOM 668 C LYS A 39 0.852 13.878 1.238 1.00 0.00 C ATOM 669 O LYS A 39 -0.206 13.283 1.202 1.00 0.00 O ATOM 670 CB LYS A 39 1.316 14.899 3.491 1.00 0.00 C ATOM 671 CG LYS A 39 -0.215 14.930 3.591 1.00 0.00 C ATOM 672 CD LYS A 39 -0.632 15.275 5.021 1.00 0.00 C ATOM 673 CE LYS A 39 0.152 14.400 5.991 1.00 0.00 C ATOM 674 NZ LYS A 39 -0.741 13.937 7.091 1.00 0.00 N ATOM 0 H LYS A 39 3.700 14.677 2.687 1.00 0.00 H new ATOM 0 HA LYS A 39 1.649 12.851 2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.749 14.686 4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.690 15.875 3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.619 15.666 2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.627 13.962 3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.441 16.328 5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.702 15.115 5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.570 13.542 5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.991 14.960 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.200 13.341 7.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.119 14.761 7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.527 13.386 6.691 1.00 0.00 H new ATOM 688 N SER A 40 1.276 14.567 0.213 1.00 0.00 N ATOM 689 CA SER A 40 0.456 14.636 -1.029 1.00 0.00 C ATOM 690 C SER A 40 1.378 14.716 -2.245 1.00 0.00 C ATOM 691 O SER A 40 1.259 13.947 -3.179 1.00 0.00 O ATOM 692 CB SER A 40 -0.436 15.877 -0.997 1.00 0.00 C ATOM 693 OG SER A 40 -0.726 16.214 0.353 1.00 0.00 O ATOM 0 H SER A 40 2.154 15.085 0.183 1.00 0.00 H new ATOM 0 HA SER A 40 -0.166 13.743 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.063 16.710 -1.492 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.360 15.688 -1.543 1.00 0.00 H new ATOM 0 HG SER A 40 -1.297 17.010 0.376 1.00 0.00 H new ATOM 699 N ASP A 41 2.287 15.656 -2.248 1.00 0.00 N ATOM 700 CA ASP A 41 3.213 15.807 -3.405 1.00 0.00 C ATOM 701 C ASP A 41 2.409 16.154 -4.659 1.00 0.00 C ATOM 702 O ASP A 41 2.932 16.197 -5.755 1.00 0.00 O ATOM 703 CB ASP A 41 3.978 14.496 -3.599 1.00 0.00 C ATOM 704 CG ASP A 41 4.617 14.456 -4.989 1.00 0.00 C ATOM 705 OD1 ASP A 41 3.926 14.094 -5.928 1.00 0.00 O ATOM 706 OD2 ASP A 41 5.786 14.787 -5.091 1.00 0.00 O ATOM 0 H ASP A 41 2.427 16.328 -1.494 1.00 0.00 H new ATOM 0 HA ASP A 41 3.925 16.611 -3.218 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.748 14.400 -2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.301 13.650 -3.478 1.00 0.00 H new ATOM 711 N ASN A 42 1.135 16.410 -4.505 1.00 0.00 N ATOM 712 CA ASN A 42 0.288 16.755 -5.676 1.00 0.00 C ATOM 713 C ASN A 42 0.657 15.872 -6.874 1.00 0.00 C ATOM 714 O ASN A 42 0.431 16.236 -8.011 1.00 0.00 O ATOM 715 CB ASN A 42 0.501 18.225 -6.043 1.00 0.00 C ATOM 716 CG ASN A 42 -0.230 19.115 -5.036 1.00 0.00 C ATOM 717 OD1 ASN A 42 0.086 19.044 -3.772 1.00 0.00 O flip ATOM 718 ND2 ASN A 42 -1.097 19.884 -5.403 1.00 0.00 N flip ATOM 0 H ASN A 42 0.646 16.394 -3.610 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.758 16.587 -5.419 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.566 18.459 -6.046 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.130 18.417 -7.050 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.344 19.940 -6.391 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.577 20.473 -4.723 1.00 0.00 H new ATOM 725 N SER A 43 1.228 14.717 -6.641 1.00 0.00 N ATOM 726 CA SER A 43 1.603 13.841 -7.789 1.00 0.00 C ATOM 727 C SER A 43 1.895 12.414 -7.300 1.00 0.00 C ATOM 728 O SER A 43 2.962 12.149 -6.784 1.00 0.00 O ATOM 729 CB SER A 43 2.853 14.406 -8.465 1.00 0.00 C ATOM 730 OG SER A 43 2.805 14.117 -9.856 1.00 0.00 O ATOM 0 H SER A 43 1.448 14.347 -5.716 1.00 0.00 H new ATOM 0 HA SER A 43 0.774 13.810 -8.497 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.911 15.483 -8.307 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.749 13.971 -8.022 1.00 0.00 H new ATOM 0 HG SER A 43 3.604 14.479 -10.293 1.00 0.00 H new ATOM 736 N PRO A 44 0.939 11.535 -7.488 1.00 0.00 N ATOM 737 CA PRO A 44 1.080 10.140 -7.086 1.00 0.00 C ATOM 738 C PRO A 44 2.370 9.546 -7.643 1.00 0.00 C ATOM 739 O PRO A 44 2.993 10.088 -8.533 1.00 0.00 O ATOM 740 CB PRO A 44 -0.135 9.441 -7.688 1.00 0.00 C ATOM 741 CG PRO A 44 -1.179 10.591 -7.840 1.00 0.00 C ATOM 742 CD PRO A 44 -0.350 11.878 -8.109 1.00 0.00 C ATOM 0 HA PRO A 44 1.130 10.026 -6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 44 0.101 8.983 -8.649 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.504 8.647 -7.039 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -1.867 10.389 -8.661 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.782 10.695 -6.938 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.249 12.085 -9.174 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.802 12.759 -7.654 1.00 0.00 H new ATOM 750 N LYS A 45 2.773 8.432 -7.106 1.00 0.00 N ATOM 751 CA LYS A 45 4.022 7.777 -7.571 1.00 0.00 C ATOM 752 C LYS A 45 3.757 6.273 -7.752 1.00 0.00 C ATOM 753 O LYS A 45 4.645 5.509 -8.074 1.00 0.00 O ATOM 754 CB LYS A 45 5.116 8.038 -6.516 1.00 0.00 C ATOM 755 CG LYS A 45 6.018 6.818 -6.328 1.00 0.00 C ATOM 756 CD LYS A 45 6.893 6.625 -7.569 1.00 0.00 C ATOM 757 CE LYS A 45 8.160 7.474 -7.441 1.00 0.00 C ATOM 758 NZ LYS A 45 9.073 7.180 -8.582 1.00 0.00 N ATOM 0 H LYS A 45 2.284 7.942 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 45 4.353 8.178 -8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.719 8.894 -6.820 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.651 8.298 -5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.645 6.950 -5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.412 5.929 -6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.157 5.573 -7.680 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.340 6.911 -8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.902 8.533 -7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.660 7.260 -6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.934 7.757 -8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.329 6.172 -8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.594 7.406 -9.477 1.00 0.00 H new ATOM 772 N GLY A 46 2.538 5.846 -7.553 1.00 0.00 N ATOM 773 CA GLY A 46 2.216 4.400 -7.714 1.00 0.00 C ATOM 774 C GLY A 46 0.972 4.065 -6.891 1.00 0.00 C ATOM 775 O GLY A 46 0.846 4.464 -5.750 1.00 0.00 O ATOM 0 H GLY A 46 1.751 6.438 -7.286 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.044 4.169 -8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.058 3.790 -7.387 1.00 0.00 H new ATOM 779 N MET A 47 0.049 3.339 -7.459 1.00 0.00 N ATOM 780 CA MET A 47 -1.187 2.986 -6.705 1.00 0.00 C ATOM 781 C MET A 47 -1.509 1.506 -6.910 1.00 0.00 C ATOM 782 O MET A 47 -1.406 0.983 -8.002 1.00 0.00 O ATOM 783 CB MET A 47 -2.357 3.834 -7.213 1.00 0.00 C ATOM 784 CG MET A 47 -1.902 5.285 -7.399 1.00 0.00 C ATOM 785 SD MET A 47 -2.959 6.094 -8.625 1.00 0.00 S ATOM 786 CE MET A 47 -3.132 7.678 -7.769 1.00 0.00 C ATOM 0 H MET A 47 0.097 2.975 -8.411 1.00 0.00 H new ATOM 0 HA MET A 47 -1.029 3.180 -5.644 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.725 3.434 -8.158 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.185 3.790 -6.505 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.953 5.818 -6.450 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.862 5.313 -7.724 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.085 8.490 -8.494 1.00 0.00 H new ATOM 0 HE2 MET A 47 -4.091 7.709 -7.251 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.325 7.790 -7.045 1.00 0.00 H new ATOM 796 N ILE A 48 -1.903 0.826 -5.867 1.00 0.00 N ATOM 797 CA ILE A 48 -2.237 -0.618 -6.001 1.00 0.00 C ATOM 798 C ILE A 48 -3.764 -0.788 -5.972 1.00 0.00 C ATOM 799 O ILE A 48 -4.411 -0.331 -5.052 1.00 0.00 O ATOM 800 CB ILE A 48 -1.619 -1.392 -4.834 1.00 0.00 C ATOM 801 CG1 ILE A 48 -0.148 -0.996 -4.684 1.00 0.00 C ATOM 802 CG2 ILE A 48 -1.718 -2.893 -5.105 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.280 -1.166 -3.224 1.00 0.00 C ATOM 0 H ILE A 48 -2.008 1.210 -4.928 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.842 -1.000 -6.942 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.156 -1.155 -3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.474 -1.615 -5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.005 0.038 -4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.278 -3.443 -4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.765 -3.175 -5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.182 -3.133 -6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.327 -0.884 -3.117 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.334 -0.528 -2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.152 -2.207 -2.926 1.00 0.00 H new ATOM 815 N PRO A 49 -4.297 -1.438 -6.979 1.00 0.00 N ATOM 816 CA PRO A 49 -5.733 -1.664 -7.069 1.00 0.00 C ATOM 817 C PRO A 49 -6.170 -2.693 -6.025 1.00 0.00 C ATOM 818 O PRO A 49 -5.587 -3.752 -5.902 1.00 0.00 O ATOM 819 CB PRO A 49 -5.949 -2.201 -8.480 1.00 0.00 C ATOM 820 CG PRO A 49 -4.572 -2.840 -8.840 1.00 0.00 C ATOM 821 CD PRO A 49 -3.507 -1.992 -8.089 1.00 0.00 C ATOM 0 HA PRO A 49 -6.313 -0.761 -6.881 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.753 -2.936 -8.511 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.217 -1.406 -9.176 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.531 -3.884 -8.530 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.400 -2.821 -9.916 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.674 -2.600 -7.735 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.085 -1.211 -8.721 1.00 0.00 H new ATOM 829 N LEU A 50 -7.191 -2.393 -5.271 1.00 0.00 N ATOM 830 CA LEU A 50 -7.659 -3.356 -4.237 1.00 0.00 C ATOM 831 C LEU A 50 -8.407 -4.511 -4.911 1.00 0.00 C ATOM 832 O LEU A 50 -8.876 -5.421 -4.259 1.00 0.00 O ATOM 833 CB LEU A 50 -8.598 -2.647 -3.258 1.00 0.00 C ATOM 834 CG LEU A 50 -8.184 -1.181 -3.104 1.00 0.00 C ATOM 835 CD1 LEU A 50 -9.249 -0.284 -3.735 1.00 0.00 C ATOM 836 CD2 LEU A 50 -8.052 -0.841 -1.617 1.00 0.00 C ATOM 0 H LEU A 50 -7.721 -1.523 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.797 -3.746 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.625 -2.708 -3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.570 -3.145 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.228 -1.020 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.956 0.760 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.347 -0.525 -4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.204 -0.447 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.757 0.203 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.009 -1.002 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.296 -1.481 -1.163 1.00 0.00 H new ATOM 848 N LYS A 51 -8.523 -4.479 -6.212 1.00 0.00 N ATOM 849 CA LYS A 51 -9.244 -5.573 -6.923 1.00 0.00 C ATOM 850 C LYS A 51 -8.817 -6.926 -6.350 1.00 0.00 C ATOM 851 O LYS A 51 -9.618 -7.660 -5.805 1.00 0.00 O ATOM 852 CB LYS A 51 -8.909 -5.522 -8.415 1.00 0.00 C ATOM 853 CG LYS A 51 -9.283 -4.149 -8.978 1.00 0.00 C ATOM 854 CD LYS A 51 -10.710 -4.193 -9.526 1.00 0.00 C ATOM 855 CE LYS A 51 -11.573 -3.170 -8.785 1.00 0.00 C ATOM 856 NZ LYS A 51 -11.421 -1.833 -9.429 1.00 0.00 N ATOM 0 H LYS A 51 -8.150 -3.743 -6.812 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.318 -5.445 -6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.846 -5.711 -8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.451 -6.304 -8.947 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.205 -3.391 -8.199 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.587 -3.867 -9.768 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.707 -3.977 -10.594 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.127 -5.193 -9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.618 -3.478 -8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.275 -3.117 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.007 -1.137 -8.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.424 -1.540 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.726 -1.889 -10.422 1.00 0.00 H new ATOM 870 N GLY A 52 -7.561 -7.265 -6.466 1.00 0.00 N ATOM 871 CA GLY A 52 -7.094 -8.574 -5.926 1.00 0.00 C ATOM 872 C GLY A 52 -5.570 -8.564 -5.783 1.00 0.00 C ATOM 873 O GLY A 52 -4.880 -9.390 -6.345 1.00 0.00 O ATOM 0 H GLY A 52 -6.841 -6.695 -6.909 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.558 -8.764 -4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.400 -9.382 -6.591 1.00 0.00 H new ATOM 877 N SER A 53 -5.040 -7.640 -5.029 1.00 0.00 N ATOM 878 CA SER A 53 -3.561 -7.586 -4.846 1.00 0.00 C ATOM 879 C SER A 53 -3.150 -8.603 -3.786 1.00 0.00 C ATOM 880 O SER A 53 -3.977 -9.184 -3.111 1.00 0.00 O ATOM 881 CB SER A 53 -3.152 -6.185 -4.396 1.00 0.00 C ATOM 882 OG SER A 53 -3.929 -5.221 -5.094 1.00 0.00 O ATOM 0 H SER A 53 -5.566 -6.921 -4.532 1.00 0.00 H new ATOM 0 HA SER A 53 -3.067 -7.819 -5.789 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.299 -6.078 -3.321 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.092 -6.024 -4.590 1.00 0.00 H new ATOM 0 HG SER A 53 -4.783 -5.091 -4.630 1.00 0.00 H new ATOM 888 N THR A 54 -1.877 -8.828 -3.640 1.00 0.00 N ATOM 889 CA THR A 54 -1.405 -9.812 -2.632 1.00 0.00 C ATOM 890 C THR A 54 -0.440 -9.118 -1.664 1.00 0.00 C ATOM 891 O THR A 54 0.110 -8.081 -1.966 1.00 0.00 O ATOM 892 CB THR A 54 -0.711 -10.976 -3.365 1.00 0.00 C ATOM 893 OG1 THR A 54 -1.013 -12.195 -2.704 1.00 0.00 O ATOM 894 CG2 THR A 54 0.805 -10.774 -3.395 1.00 0.00 C ATOM 0 H THR A 54 -1.140 -8.371 -4.178 1.00 0.00 H new ATOM 0 HA THR A 54 -2.243 -10.207 -2.057 1.00 0.00 H new ATOM 0 HB THR A 54 -1.076 -11.008 -4.392 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.574 -12.937 -3.170 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.273 -11.608 -3.918 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.038 -9.844 -3.914 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.186 -10.725 -2.375 1.00 0.00 H new ATOM 902 N LEU A 55 -0.225 -9.683 -0.511 1.00 0.00 N ATOM 903 CA LEU A 55 0.710 -9.048 0.458 1.00 0.00 C ATOM 904 C LEU A 55 1.636 -10.123 1.039 1.00 0.00 C ATOM 905 O LEU A 55 1.286 -10.817 1.973 1.00 0.00 O ATOM 906 CB LEU A 55 -0.099 -8.392 1.585 1.00 0.00 C ATOM 907 CG LEU A 55 0.839 -7.734 2.608 1.00 0.00 C ATOM 908 CD1 LEU A 55 1.409 -8.796 3.547 1.00 0.00 C ATOM 909 CD2 LEU A 55 1.986 -7.024 1.885 1.00 0.00 C ATOM 0 H LEU A 55 -0.654 -10.554 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 55 1.308 -8.288 -0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.774 -7.644 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.718 -9.141 2.079 1.00 0.00 H new ATOM 0 HG LEU A 55 0.273 -7.005 3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.074 -8.323 4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.593 -9.292 4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.967 -9.532 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.646 -6.560 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.549 -7.748 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.581 -6.257 1.225 1.00 0.00 H new ATOM 921 N THR A 56 2.810 -10.272 0.487 1.00 0.00 N ATOM 922 CA THR A 56 3.751 -11.308 1.005 1.00 0.00 C ATOM 923 C THR A 56 4.634 -10.704 2.099 1.00 0.00 C ATOM 924 O THR A 56 5.499 -9.893 1.836 1.00 0.00 O ATOM 925 CB THR A 56 4.633 -11.813 -0.140 1.00 0.00 C ATOM 926 OG1 THR A 56 3.810 -12.351 -1.166 1.00 0.00 O ATOM 927 CG2 THR A 56 5.578 -12.897 0.381 1.00 0.00 C ATOM 0 H THR A 56 3.158 -9.723 -0.299 1.00 0.00 H new ATOM 0 HA THR A 56 3.180 -12.138 1.421 1.00 0.00 H new ATOM 0 HB THR A 56 5.220 -10.986 -0.540 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.372 -12.673 -1.901 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.205 -13.256 -0.435 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.208 -12.483 1.168 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.995 -13.726 0.782 1.00 0.00 H new ATOM 935 N SER A 57 4.421 -11.097 3.325 1.00 0.00 N ATOM 936 CA SER A 57 5.241 -10.548 4.444 1.00 0.00 C ATOM 937 C SER A 57 5.437 -11.629 5.511 1.00 0.00 C ATOM 938 O SER A 57 4.536 -12.392 5.795 1.00 0.00 O ATOM 939 CB SER A 57 4.522 -9.351 5.062 1.00 0.00 C ATOM 940 OG SER A 57 3.157 -9.682 5.278 1.00 0.00 O ATOM 0 H SER A 57 3.712 -11.777 3.601 1.00 0.00 H new ATOM 0 HA SER A 57 6.212 -10.233 4.062 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.995 -9.076 6.005 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.598 -8.486 4.403 1.00 0.00 H new ATOM 0 HG SER A 57 3.075 -10.212 6.098 1.00 0.00 H new ATOM 946 N PRO A 58 6.614 -11.643 6.078 1.00 0.00 N ATOM 947 CA PRO A 58 7.666 -10.710 5.709 1.00 0.00 C ATOM 948 C PRO A 58 8.367 -11.170 4.427 1.00 0.00 C ATOM 949 O PRO A 58 7.992 -12.151 3.817 1.00 0.00 O ATOM 950 CB PRO A 58 8.626 -10.748 6.868 1.00 0.00 C ATOM 951 CG PRO A 58 8.431 -12.178 7.469 1.00 0.00 C ATOM 952 CD PRO A 58 6.961 -12.590 7.145 1.00 0.00 C ATOM 0 HA PRO A 58 7.281 -9.709 5.516 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.654 -10.588 6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.400 -9.973 7.600 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.138 -12.883 7.033 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.606 -12.175 8.545 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.890 -13.625 6.812 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.307 -12.488 8.011 1.00 0.00 H new ATOM 960 N CYS A 59 9.389 -10.465 4.020 1.00 0.00 N ATOM 961 CA CYS A 59 10.127 -10.855 2.786 1.00 0.00 C ATOM 962 C CYS A 59 11.589 -10.421 2.913 1.00 0.00 C ATOM 963 O CYS A 59 12.083 -9.636 2.129 1.00 0.00 O ATOM 964 CB CYS A 59 9.496 -10.166 1.575 1.00 0.00 C ATOM 965 SG CYS A 59 8.127 -11.175 0.954 1.00 0.00 S ATOM 0 H CYS A 59 9.745 -9.633 4.491 1.00 0.00 H new ATOM 0 HA CYS A 59 10.076 -11.936 2.656 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.135 -9.176 1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.242 -10.025 0.793 1.00 0.00 H new ATOM 0 HG CYS A 59 7.003 -10.552 1.154 1.00 0.00 H new ATOM 971 N GLN A 60 12.283 -10.920 3.899 1.00 0.00 N ATOM 972 CA GLN A 60 13.710 -10.530 4.079 1.00 0.00 C ATOM 973 C GLN A 60 14.562 -11.155 2.973 1.00 0.00 C ATOM 974 O GLN A 60 14.567 -12.355 2.783 1.00 0.00 O ATOM 975 CB GLN A 60 14.204 -11.020 5.441 1.00 0.00 C ATOM 976 CG GLN A 60 15.267 -10.060 5.975 1.00 0.00 C ATOM 977 CD GLN A 60 15.738 -10.533 7.352 1.00 0.00 C ATOM 978 OE1 GLN A 60 15.152 -10.186 8.359 1.00 0.00 O ATOM 979 NE2 GLN A 60 16.777 -11.317 7.439 1.00 0.00 N ATOM 0 H GLN A 60 11.923 -11.581 4.588 1.00 0.00 H new ATOM 0 HA GLN A 60 13.795 -9.445 4.028 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.371 -11.082 6.141 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.619 -12.024 5.349 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.111 -10.015 5.286 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.859 -9.052 6.045 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.268 -11.608 6.594 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.098 -11.639 8.352 1.00 0.00 H new ATOM 988 N ASP A 61 15.287 -10.349 2.246 1.00 0.00 N ATOM 989 CA ASP A 61 16.145 -10.894 1.157 1.00 0.00 C ATOM 990 C ASP A 61 16.615 -9.749 0.259 1.00 0.00 C ATOM 991 O ASP A 61 17.770 -9.674 -0.112 1.00 0.00 O ATOM 992 CB ASP A 61 15.346 -11.905 0.330 1.00 0.00 C ATOM 993 CG ASP A 61 15.826 -13.321 0.655 1.00 0.00 C ATOM 994 OD1 ASP A 61 16.614 -13.462 1.576 1.00 0.00 O ATOM 995 OD2 ASP A 61 15.398 -14.241 -0.023 1.00 0.00 O ATOM 0 H ASP A 61 15.322 -9.336 2.360 1.00 0.00 H new ATOM 0 HA ASP A 61 17.012 -11.392 1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.282 -11.811 0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 61 15.472 -11.702 -0.733 1.00 0.00 H new ATOM 1000 N PHE A 62 15.736 -8.846 -0.080 1.00 0.00 N ATOM 1001 CA PHE A 62 16.146 -7.697 -0.935 1.00 0.00 C ATOM 1002 C PHE A 62 16.629 -6.577 -0.020 1.00 0.00 C ATOM 1003 O PHE A 62 17.803 -6.272 0.038 1.00 0.00 O ATOM 1004 CB PHE A 62 14.947 -7.211 -1.757 1.00 0.00 C ATOM 1005 CG PHE A 62 15.384 -6.155 -2.751 1.00 0.00 C ATOM 1006 CD1 PHE A 62 16.727 -5.748 -2.821 1.00 0.00 C ATOM 1007 CD2 PHE A 62 14.438 -5.582 -3.610 1.00 0.00 C ATOM 1008 CE1 PHE A 62 17.116 -4.771 -3.746 1.00 0.00 C ATOM 1009 CE2 PHE A 62 14.827 -4.605 -4.534 1.00 0.00 C ATOM 1010 CZ PHE A 62 16.166 -4.200 -4.603 1.00 0.00 C ATOM 0 H PHE A 62 14.754 -8.854 0.197 1.00 0.00 H new ATOM 0 HA PHE A 62 16.940 -7.998 -1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 62 14.494 -8.051 -2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.184 -6.802 -1.094 1.00 0.00 H new ATOM 0 HD1 PHE A 62 17.460 -6.189 -2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 62 13.405 -5.895 -3.559 1.00 0.00 H new ATOM 0 HE1 PHE A 62 18.148 -4.458 -3.799 1.00 0.00 H new ATOM 0 HE2 PHE A 62 14.095 -4.164 -5.194 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.466 -3.447 -5.317 1.00 0.00 H new ATOM 1020 N GLY A 63 15.736 -5.982 0.718 1.00 0.00 N ATOM 1021 CA GLY A 63 16.153 -4.907 1.654 1.00 0.00 C ATOM 1022 C GLY A 63 16.693 -5.568 2.920 1.00 0.00 C ATOM 1023 O GLY A 63 17.521 -5.017 3.616 1.00 0.00 O ATOM 0 H GLY A 63 14.738 -6.194 0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.917 -4.278 1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.309 -4.260 1.892 1.00 0.00 H new ATOM 1027 N LYS A 64 16.223 -6.760 3.205 1.00 0.00 N ATOM 1028 CA LYS A 64 16.685 -7.508 4.413 1.00 0.00 C ATOM 1029 C LYS A 64 16.972 -6.532 5.555 1.00 0.00 C ATOM 1030 O LYS A 64 17.923 -6.685 6.296 1.00 0.00 O ATOM 1031 CB LYS A 64 17.947 -8.308 4.065 1.00 0.00 C ATOM 1032 CG LYS A 64 19.138 -7.364 3.871 1.00 0.00 C ATOM 1033 CD LYS A 64 19.406 -7.181 2.376 1.00 0.00 C ATOM 1034 CE LYS A 64 20.882 -7.457 2.083 1.00 0.00 C ATOM 1035 NZ LYS A 64 21.583 -6.169 1.816 1.00 0.00 N ATOM 0 H LYS A 64 15.529 -7.251 2.642 1.00 0.00 H new ATOM 0 HA LYS A 64 15.903 -8.196 4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 64 18.165 -9.021 4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.780 -8.886 3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 64 18.931 -6.400 4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.022 -7.771 4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 64 18.777 -7.858 1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.147 -6.167 2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 64 21.343 -7.966 2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 64 20.976 -8.120 1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 22.587 -6.355 1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 21.148 -5.701 0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.504 -5.552 2.649 1.00 0.00 H new ATOM 1049 N ARG A 65 16.154 -5.526 5.697 1.00 0.00 N ATOM 1050 CA ARG A 65 16.367 -4.530 6.783 1.00 0.00 C ATOM 1051 C ARG A 65 15.163 -4.551 7.733 1.00 0.00 C ATOM 1052 O ARG A 65 14.663 -5.601 8.082 1.00 0.00 O ATOM 1053 CB ARG A 65 16.522 -3.140 6.162 1.00 0.00 C ATOM 1054 CG ARG A 65 17.387 -2.265 7.073 1.00 0.00 C ATOM 1055 CD ARG A 65 17.444 -0.844 6.511 1.00 0.00 C ATOM 1056 NE ARG A 65 18.830 -0.313 6.641 1.00 0.00 N ATOM 1057 CZ ARG A 65 19.368 -0.176 7.822 1.00 0.00 C ATOM 1058 NH1 ARG A 65 18.986 0.798 8.603 1.00 0.00 N ATOM 1059 NH2 ARG A 65 20.286 -1.012 8.222 1.00 0.00 N ATOM 0 H ARG A 65 15.343 -5.351 5.104 1.00 0.00 H new ATOM 0 HA ARG A 65 17.268 -4.776 7.345 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.980 -3.220 5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.543 -2.681 6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.974 -2.252 8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.393 -2.679 7.145 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.140 -0.843 5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 65 16.745 -0.201 7.047 1.00 0.00 H new ATOM 0 HE ARG A 65 19.358 -0.057 5.807 1.00 0.00 H new ATOM 0 HH11 ARG A 65 18.268 1.451 8.290 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.406 0.906 9.526 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.584 -1.773 7.612 1.00 0.00 H new ATOM 0 HH22 ARG A 65 20.706 -0.905 9.145 1.00 0.00 H new ATOM 1073 N MET A 66 14.692 -3.405 8.155 1.00 0.00 N ATOM 1074 CA MET A 66 13.523 -3.371 9.080 1.00 0.00 C ATOM 1075 C MET A 66 12.476 -4.386 8.623 1.00 0.00 C ATOM 1076 O MET A 66 12.515 -5.544 8.988 1.00 0.00 O ATOM 1077 CB MET A 66 12.914 -1.967 9.080 1.00 0.00 C ATOM 1078 CG MET A 66 13.879 -0.992 9.758 1.00 0.00 C ATOM 1079 SD MET A 66 14.003 0.519 8.769 1.00 0.00 S ATOM 1080 CE MET A 66 15.421 1.237 9.633 1.00 0.00 C ATOM 0 H MET A 66 15.068 -2.492 7.898 1.00 0.00 H new ATOM 0 HA MET A 66 13.851 -3.624 10.088 1.00 0.00 H new ATOM 0 HB2 MET A 66 12.714 -1.646 8.058 1.00 0.00 H new ATOM 0 HB3 MET A 66 11.959 -1.973 9.605 1.00 0.00 H new ATOM 0 HG2 MET A 66 13.527 -0.755 10.762 1.00 0.00 H new ATOM 0 HG3 MET A 66 14.862 -1.451 9.865 1.00 0.00 H new ATOM 0 HE1 MET A 66 15.676 2.195 9.180 1.00 0.00 H new ATOM 0 HE2 MET A 66 15.169 1.388 10.683 1.00 0.00 H new ATOM 0 HE3 MET A 66 16.273 0.561 9.558 1.00 0.00 H new ATOM 1090 N PHE A 67 11.540 -3.958 7.830 1.00 0.00 N ATOM 1091 CA PHE A 67 10.485 -4.892 7.347 1.00 0.00 C ATOM 1092 C PHE A 67 10.144 -4.565 5.892 1.00 0.00 C ATOM 1093 O PHE A 67 9.580 -3.532 5.590 1.00 0.00 O ATOM 1094 CB PHE A 67 9.235 -4.741 8.213 1.00 0.00 C ATOM 1095 CG PHE A 67 9.193 -5.857 9.229 1.00 0.00 C ATOM 1096 CD1 PHE A 67 8.907 -7.165 8.819 1.00 0.00 C ATOM 1097 CD2 PHE A 67 9.444 -5.585 10.579 1.00 0.00 C ATOM 1098 CE1 PHE A 67 8.870 -8.203 9.760 1.00 0.00 C ATOM 1099 CE2 PHE A 67 9.407 -6.621 11.521 1.00 0.00 C ATOM 1100 CZ PHE A 67 9.120 -7.930 11.112 1.00 0.00 C ATOM 0 H PHE A 67 11.457 -2.999 7.493 1.00 0.00 H new ATOM 0 HA PHE A 67 10.848 -5.918 7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.243 -3.775 8.717 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.341 -4.768 7.589 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.715 -7.374 7.777 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.666 -4.576 10.894 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.649 -9.212 9.444 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.600 -6.411 12.563 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.091 -8.729 11.838 1.00 0.00 H new ATOM 1110 N VAL A 68 10.493 -5.438 4.987 1.00 0.00 N ATOM 1111 CA VAL A 68 10.205 -5.184 3.548 1.00 0.00 C ATOM 1112 C VAL A 68 9.316 -6.305 2.994 1.00 0.00 C ATOM 1113 O VAL A 68 9.688 -7.462 2.990 1.00 0.00 O ATOM 1114 CB VAL A 68 11.537 -5.132 2.784 1.00 0.00 C ATOM 1115 CG1 VAL A 68 12.518 -6.127 3.403 1.00 0.00 C ATOM 1116 CG2 VAL A 68 11.324 -5.483 1.306 1.00 0.00 C ATOM 0 H VAL A 68 10.967 -6.319 5.184 1.00 0.00 H new ATOM 0 HA VAL A 68 9.680 -4.236 3.430 1.00 0.00 H new ATOM 0 HB VAL A 68 11.940 -4.121 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.463 -6.091 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.688 -5.868 4.448 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.103 -7.133 3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.278 -5.441 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.910 -6.488 1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.632 -4.769 0.859 1.00 0.00 H new ATOM 1126 N PHE A 69 8.148 -5.966 2.513 1.00 0.00 N ATOM 1127 CA PHE A 69 7.244 -7.009 1.948 1.00 0.00 C ATOM 1128 C PHE A 69 6.998 -6.712 0.468 1.00 0.00 C ATOM 1129 O PHE A 69 7.325 -5.650 -0.024 1.00 0.00 O ATOM 1130 CB PHE A 69 5.911 -7.014 2.711 1.00 0.00 C ATOM 1131 CG PHE A 69 5.080 -5.802 2.344 1.00 0.00 C ATOM 1132 CD1 PHE A 69 4.497 -5.702 1.071 1.00 0.00 C ATOM 1133 CD2 PHE A 69 4.883 -4.783 3.284 1.00 0.00 C ATOM 1134 CE1 PHE A 69 3.722 -4.583 0.741 1.00 0.00 C ATOM 1135 CE2 PHE A 69 4.107 -3.664 2.951 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.527 -3.564 1.680 1.00 0.00 C ATOM 0 H PHE A 69 7.783 -5.014 2.487 1.00 0.00 H new ATOM 0 HA PHE A 69 7.709 -7.989 2.049 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.357 -7.924 2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.101 -7.020 3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.646 -6.488 0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.329 -4.859 4.265 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.275 -4.507 -0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.956 -2.878 3.676 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.930 -2.701 1.425 1.00 0.00 H new ATOM 1146 N LYS A 70 6.423 -7.639 -0.249 1.00 0.00 N ATOM 1147 CA LYS A 70 6.158 -7.399 -1.696 1.00 0.00 C ATOM 1148 C LYS A 70 4.688 -7.690 -2.006 1.00 0.00 C ATOM 1149 O LYS A 70 4.203 -8.783 -1.795 1.00 0.00 O ATOM 1150 CB LYS A 70 7.051 -8.312 -2.540 1.00 0.00 C ATOM 1151 CG LYS A 70 6.641 -9.769 -2.328 1.00 0.00 C ATOM 1152 CD LYS A 70 7.655 -10.689 -3.013 1.00 0.00 C ATOM 1153 CE LYS A 70 7.418 -12.132 -2.566 1.00 0.00 C ATOM 1154 NZ LYS A 70 8.710 -12.738 -2.138 1.00 0.00 N ATOM 0 H LYS A 70 6.126 -8.549 0.103 1.00 0.00 H new ATOM 0 HA LYS A 70 6.377 -6.358 -1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.964 -8.049 -3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.096 -8.174 -2.262 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.592 -9.993 -1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.645 -9.941 -2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.558 -10.612 -4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.670 -10.381 -2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.703 -12.156 -1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.985 -12.710 -3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.648 -13.774 -2.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.475 -12.395 -2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.910 -12.469 -1.153 1.00 0.00 H new ATOM 1168 N ILE A 71 3.976 -6.718 -2.509 1.00 0.00 N ATOM 1169 CA ILE A 71 2.538 -6.935 -2.838 1.00 0.00 C ATOM 1170 C ILE A 71 2.414 -7.280 -4.323 1.00 0.00 C ATOM 1171 O ILE A 71 3.307 -7.030 -5.108 1.00 0.00 O ATOM 1172 CB ILE A 71 1.748 -5.654 -2.519 1.00 0.00 C ATOM 1173 CG1 ILE A 71 1.350 -5.663 -1.043 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.482 -5.569 -3.382 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.963 -4.248 -0.609 1.00 0.00 C ATOM 0 H ILE A 71 4.329 -5.782 -2.707 1.00 0.00 H new ATOM 0 HA ILE A 71 2.134 -7.756 -2.246 1.00 0.00 H new ATOM 0 HB ILE A 71 2.378 -4.791 -2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.514 -6.344 -0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.178 -6.028 -0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.062 -4.656 -3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.760 -5.558 -4.436 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.153 -6.433 -3.183 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.679 -4.255 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.811 -3.579 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.122 -3.901 -1.209 1.00 0.00 H new ATOM 1187 N THR A 72 1.311 -7.851 -4.710 1.00 0.00 N ATOM 1188 CA THR A 72 1.119 -8.214 -6.142 1.00 0.00 C ATOM 1189 C THR A 72 -0.322 -7.915 -6.548 1.00 0.00 C ATOM 1190 O THR A 72 -1.224 -8.682 -6.276 1.00 0.00 O ATOM 1191 CB THR A 72 1.404 -9.704 -6.342 1.00 0.00 C ATOM 1192 OG1 THR A 72 2.779 -9.960 -6.095 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.057 -10.102 -7.778 1.00 0.00 C ATOM 0 H THR A 72 0.531 -8.083 -4.096 1.00 0.00 H new ATOM 0 HA THR A 72 1.804 -7.632 -6.758 1.00 0.00 H new ATOM 0 HB THR A 72 0.797 -10.287 -5.649 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.962 -10.914 -6.221 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.260 -11.163 -7.921 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.001 -9.906 -7.965 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.662 -9.520 -8.473 1.00 0.00 H new ATOM 1201 N THR A 73 -0.550 -6.807 -7.194 1.00 0.00 N ATOM 1202 CA THR A 73 -1.939 -6.467 -7.610 1.00 0.00 C ATOM 1203 C THR A 73 -2.534 -7.636 -8.390 1.00 0.00 C ATOM 1204 O THR A 73 -1.826 -8.437 -8.968 1.00 0.00 O ATOM 1205 CB THR A 73 -1.932 -5.218 -8.496 1.00 0.00 C ATOM 1206 OG1 THR A 73 -3.100 -5.209 -9.305 1.00 0.00 O ATOM 1207 CG2 THR A 73 -0.693 -5.228 -9.389 1.00 0.00 C ATOM 0 H THR A 73 0.162 -6.124 -7.452 1.00 0.00 H new ATOM 0 HA THR A 73 -2.539 -6.271 -6.721 1.00 0.00 H new ATOM 0 HB THR A 73 -1.915 -4.327 -7.868 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.967 -4.605 -10.065 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.691 -4.338 -10.018 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.203 -5.236 -8.768 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.706 -6.118 -10.019 1.00 0.00 H new ATOM 1215 N THR A 74 -3.831 -7.733 -8.406 1.00 0.00 N ATOM 1216 CA THR A 74 -4.497 -8.839 -9.145 1.00 0.00 C ATOM 1217 C THR A 74 -3.791 -9.067 -10.486 1.00 0.00 C ATOM 1218 O THR A 74 -3.796 -10.157 -11.022 1.00 0.00 O ATOM 1219 CB THR A 74 -5.957 -8.457 -9.392 1.00 0.00 C ATOM 1220 OG1 THR A 74 -6.431 -9.118 -10.556 1.00 0.00 O ATOM 1221 CG2 THR A 74 -6.061 -6.942 -9.578 1.00 0.00 C ATOM 0 H THR A 74 -4.465 -7.088 -7.935 1.00 0.00 H new ATOM 0 HA THR A 74 -4.447 -9.756 -8.559 1.00 0.00 H new ATOM 0 HB THR A 74 -6.563 -8.758 -8.538 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.367 -8.874 -10.713 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.101 -6.668 -9.754 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.700 -6.440 -8.680 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.456 -6.638 -10.432 1.00 0.00 H new ATOM 1229 N LYS A 75 -3.182 -8.048 -11.030 1.00 0.00 N ATOM 1230 CA LYS A 75 -2.478 -8.210 -12.334 1.00 0.00 C ATOM 1231 C LYS A 75 -1.132 -8.908 -12.109 1.00 0.00 C ATOM 1232 O LYS A 75 -1.048 -10.119 -12.093 1.00 0.00 O ATOM 1233 CB LYS A 75 -2.242 -6.834 -12.959 1.00 0.00 C ATOM 1234 CG LYS A 75 -3.565 -6.287 -13.501 1.00 0.00 C ATOM 1235 CD LYS A 75 -3.883 -6.955 -14.840 1.00 0.00 C ATOM 1236 CE LYS A 75 -3.741 -5.931 -15.967 1.00 0.00 C ATOM 1237 NZ LYS A 75 -5.019 -5.180 -16.119 1.00 0.00 N ATOM 0 H LYS A 75 -3.142 -7.111 -10.628 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.090 -8.814 -13.004 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.831 -6.151 -12.216 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.510 -6.909 -13.763 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.368 -6.476 -12.789 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.499 -5.206 -13.628 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.208 -7.794 -15.009 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.896 -7.358 -14.826 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.926 -5.242 -15.746 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.489 -6.434 -16.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.923 -4.483 -16.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.786 -5.843 -16.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.241 -4.688 -15.230 1.00 0.00 H new ATOM 1251 N GLN A 76 -0.079 -8.155 -11.933 1.00 0.00 N ATOM 1252 CA GLN A 76 1.257 -8.780 -11.708 1.00 0.00 C ATOM 1253 C GLN A 76 2.320 -7.686 -11.592 1.00 0.00 C ATOM 1254 O GLN A 76 3.431 -7.834 -12.062 1.00 0.00 O ATOM 1255 CB GLN A 76 1.596 -9.700 -12.883 1.00 0.00 C ATOM 1256 CG GLN A 76 1.235 -9.008 -14.198 1.00 0.00 C ATOM 1257 CD GLN A 76 1.626 -9.907 -15.372 1.00 0.00 C ATOM 1258 OE1 GLN A 76 2.417 -9.522 -16.210 1.00 0.00 O ATOM 1259 NE2 GLN A 76 1.103 -11.098 -15.468 1.00 0.00 N ATOM 0 H GLN A 76 -0.086 -7.135 -11.935 1.00 0.00 H new ATOM 0 HA GLN A 76 1.234 -9.362 -10.787 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.658 -9.947 -12.870 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.049 -10.639 -12.792 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.166 -8.797 -14.228 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.752 -8.051 -14.271 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.439 -11.422 -14.765 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.358 -11.706 -16.246 1.00 0.00 H new ATOM 1268 N GLN A 77 1.991 -6.590 -10.966 1.00 0.00 N ATOM 1269 CA GLN A 77 2.983 -5.489 -10.816 1.00 0.00 C ATOM 1270 C GLN A 77 3.532 -5.502 -9.389 1.00 0.00 C ATOM 1271 O GLN A 77 3.216 -4.648 -8.584 1.00 0.00 O ATOM 1272 CB GLN A 77 2.302 -4.145 -11.087 1.00 0.00 C ATOM 1273 CG GLN A 77 2.973 -3.463 -12.281 1.00 0.00 C ATOM 1274 CD GLN A 77 2.823 -1.946 -12.151 1.00 0.00 C ATOM 1275 OE1 GLN A 77 2.439 -1.448 -11.110 1.00 0.00 O ATOM 1276 NE2 GLN A 77 3.111 -1.185 -13.171 1.00 0.00 N ATOM 0 H GLN A 77 1.077 -6.409 -10.551 1.00 0.00 H new ATOM 0 HA GLN A 77 3.798 -5.630 -11.526 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.242 -4.297 -11.290 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.369 -3.507 -10.206 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.028 -3.733 -12.322 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.520 -3.806 -13.211 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.433 -1.603 -14.044 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.014 -0.172 -13.095 1.00 0.00 H new ATOM 1285 N ASP A 78 4.344 -6.469 -9.067 1.00 0.00 N ATOM 1286 CA ASP A 78 4.904 -6.545 -7.690 1.00 0.00 C ATOM 1287 C ASP A 78 5.346 -5.153 -7.234 1.00 0.00 C ATOM 1288 O ASP A 78 5.876 -4.373 -8.001 1.00 0.00 O ATOM 1289 CB ASP A 78 6.109 -7.488 -7.678 1.00 0.00 C ATOM 1290 CG ASP A 78 7.101 -7.066 -8.763 1.00 0.00 C ATOM 1291 OD1 ASP A 78 6.852 -7.372 -9.918 1.00 0.00 O ATOM 1292 OD2 ASP A 78 8.093 -6.443 -8.421 1.00 0.00 O ATOM 0 H ASP A 78 4.644 -7.211 -9.699 1.00 0.00 H new ATOM 0 HA ASP A 78 4.138 -6.922 -7.012 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.592 -7.465 -6.701 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.783 -8.514 -7.849 1.00 0.00 H new ATOM 1297 N HIS A 79 5.134 -4.837 -5.985 1.00 0.00 N ATOM 1298 CA HIS A 79 5.543 -3.500 -5.471 1.00 0.00 C ATOM 1299 C HIS A 79 6.410 -3.687 -4.224 1.00 0.00 C ATOM 1300 O HIS A 79 6.125 -4.509 -3.376 1.00 0.00 O ATOM 1301 CB HIS A 79 4.300 -2.685 -5.112 1.00 0.00 C ATOM 1302 CG HIS A 79 3.803 -1.964 -6.335 1.00 0.00 C ATOM 1303 ND1 HIS A 79 4.428 -0.831 -6.832 1.00 0.00 N ATOM 1304 CD2 HIS A 79 2.740 -2.203 -7.173 1.00 0.00 C ATOM 1305 CE1 HIS A 79 3.744 -0.435 -7.920 1.00 0.00 C ATOM 1306 NE2 HIS A 79 2.706 -1.236 -8.173 1.00 0.00 N ATOM 0 H HIS A 79 4.694 -5.449 -5.298 1.00 0.00 H new ATOM 0 HA HIS A 79 6.109 -2.971 -6.237 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.522 -3.341 -4.722 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.536 -1.969 -4.325 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.038 -3.017 -7.071 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.003 0.427 -8.517 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.033 -1.156 -8.935 1.00 0.00 H new ATOM 1314 N PHE A 80 7.469 -2.935 -4.108 1.00 0.00 N ATOM 1315 CA PHE A 80 8.353 -3.077 -2.918 1.00 0.00 C ATOM 1316 C PHE A 80 7.932 -2.075 -1.842 1.00 0.00 C ATOM 1317 O PHE A 80 7.773 -0.898 -2.100 1.00 0.00 O ATOM 1318 CB PHE A 80 9.800 -2.823 -3.334 1.00 0.00 C ATOM 1319 CG PHE A 80 10.342 -4.063 -4.002 1.00 0.00 C ATOM 1320 CD1 PHE A 80 10.648 -5.195 -3.235 1.00 0.00 C ATOM 1321 CD2 PHE A 80 10.530 -4.087 -5.391 1.00 0.00 C ATOM 1322 CE1 PHE A 80 11.141 -6.350 -3.855 1.00 0.00 C ATOM 1323 CE2 PHE A 80 11.025 -5.242 -6.011 1.00 0.00 C ATOM 1324 CZ PHE A 80 11.331 -6.372 -5.243 1.00 0.00 C ATOM 0 H PHE A 80 7.760 -2.229 -4.785 1.00 0.00 H new ATOM 0 HA PHE A 80 8.266 -4.085 -2.513 1.00 0.00 H new ATOM 0 HB2 PHE A 80 9.853 -1.974 -4.016 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.404 -2.570 -2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 80 10.504 -5.177 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.293 -3.215 -5.983 1.00 0.00 H new ATOM 0 HE1 PHE A 80 11.375 -7.223 -3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.170 -5.261 -7.081 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.714 -7.262 -5.721 1.00 0.00 H new ATOM 1334 N PHE A 81 7.734 -2.544 -0.639 1.00 0.00 N ATOM 1335 CA PHE A 81 7.300 -1.639 0.464 1.00 0.00 C ATOM 1336 C PHE A 81 8.210 -1.847 1.680 1.00 0.00 C ATOM 1337 O PHE A 81 8.578 -2.958 2.005 1.00 0.00 O ATOM 1338 CB PHE A 81 5.849 -1.992 0.815 1.00 0.00 C ATOM 1339 CG PHE A 81 5.385 -1.282 2.066 1.00 0.00 C ATOM 1340 CD1 PHE A 81 5.942 -1.598 3.315 1.00 0.00 C ATOM 1341 CD2 PHE A 81 4.360 -0.331 1.976 1.00 0.00 C ATOM 1342 CE1 PHE A 81 5.475 -0.956 4.469 1.00 0.00 C ATOM 1343 CE2 PHE A 81 3.891 0.303 3.131 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.448 -0.008 4.377 1.00 0.00 C ATOM 0 H PHE A 81 7.855 -3.521 -0.372 1.00 0.00 H new ATOM 0 HA PHE A 81 7.366 -0.594 0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.198 -1.724 -0.017 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.761 -3.069 0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.729 -2.334 3.386 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.932 -0.088 1.015 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.907 -1.192 5.430 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.098 1.033 3.062 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.086 0.483 5.268 1.00 0.00 H new ATOM 1354 N GLN A 82 8.580 -0.789 2.350 1.00 0.00 N ATOM 1355 CA GLN A 82 9.470 -0.934 3.539 1.00 0.00 C ATOM 1356 C GLN A 82 9.019 0.031 4.643 1.00 0.00 C ATOM 1357 O GLN A 82 9.004 1.231 4.459 1.00 0.00 O ATOM 1358 CB GLN A 82 10.907 -0.601 3.136 1.00 0.00 C ATOM 1359 CG GLN A 82 11.809 -1.805 3.403 1.00 0.00 C ATOM 1360 CD GLN A 82 13.129 -1.327 4.010 1.00 0.00 C ATOM 1361 OE1 GLN A 82 13.235 -1.160 5.209 1.00 0.00 O ATOM 1362 NE2 GLN A 82 14.147 -1.096 3.226 1.00 0.00 N ATOM 0 H GLN A 82 8.305 0.168 2.127 1.00 0.00 H new ATOM 0 HA GLN A 82 9.416 -1.958 3.909 1.00 0.00 H new ATOM 0 HB2 GLN A 82 10.946 -0.332 2.080 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.262 0.263 3.698 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.315 -2.500 4.082 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.997 -2.345 2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.058 -1.236 2.220 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.032 -0.775 3.620 1.00 0.00 H new ATOM 1371 N ALA A 83 8.657 -0.482 5.789 1.00 0.00 N ATOM 1372 CA ALA A 83 8.210 0.409 6.898 1.00 0.00 C ATOM 1373 C ALA A 83 9.422 0.828 7.736 1.00 0.00 C ATOM 1374 O ALA A 83 10.523 0.936 7.234 1.00 0.00 O ATOM 1375 CB ALA A 83 7.214 -0.343 7.783 1.00 0.00 C ATOM 0 H ALA A 83 8.652 -1.479 6.004 1.00 0.00 H new ATOM 0 HA ALA A 83 7.732 1.296 6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.886 0.306 8.595 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.352 -0.643 7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.694 -1.229 8.199 1.00 0.00 H new ATOM 1381 N ALA A 84 9.232 1.073 9.006 1.00 0.00 N ATOM 1382 CA ALA A 84 10.382 1.492 9.857 1.00 0.00 C ATOM 1383 C ALA A 84 10.584 0.492 10.994 1.00 0.00 C ATOM 1384 O ALA A 84 11.672 0.337 11.513 1.00 0.00 O ATOM 1385 CB ALA A 84 10.111 2.881 10.439 1.00 0.00 C ATOM 0 H ALA A 84 8.336 1.001 9.487 1.00 0.00 H new ATOM 0 HA ALA A 84 11.284 1.523 9.245 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.953 3.186 11.061 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.982 3.597 9.627 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.205 2.851 11.044 1.00 0.00 H new ATOM 1391 N PHE A 85 9.549 -0.187 11.381 1.00 0.00 N ATOM 1392 CA PHE A 85 9.682 -1.184 12.486 1.00 0.00 C ATOM 1393 C PHE A 85 8.575 -2.234 12.375 1.00 0.00 C ATOM 1394 O PHE A 85 7.708 -2.152 11.530 1.00 0.00 O ATOM 1395 CB PHE A 85 9.595 -0.489 13.853 1.00 0.00 C ATOM 1396 CG PHE A 85 8.934 0.865 13.725 1.00 0.00 C ATOM 1397 CD1 PHE A 85 9.656 1.953 13.215 1.00 0.00 C ATOM 1398 CD2 PHE A 85 7.602 1.036 14.127 1.00 0.00 C ATOM 1399 CE1 PHE A 85 9.046 3.211 13.105 1.00 0.00 C ATOM 1400 CE2 PHE A 85 6.994 2.293 14.019 1.00 0.00 C ATOM 1401 CZ PHE A 85 7.715 3.380 13.507 1.00 0.00 C ATOM 0 H PHE A 85 8.613 -0.100 10.984 1.00 0.00 H new ATOM 0 HA PHE A 85 10.654 -1.669 12.399 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.029 -1.111 14.547 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.595 -0.373 14.271 1.00 0.00 H new ATOM 0 HD1 PHE A 85 10.683 1.822 12.907 1.00 0.00 H new ATOM 0 HD2 PHE A 85 7.045 0.198 14.520 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.602 4.049 12.711 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.968 2.425 14.331 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.244 4.348 13.422 1.00 0.00 H new ATOM 1411 N LEU A 86 8.611 -3.227 13.221 1.00 0.00 N ATOM 1412 CA LEU A 86 7.574 -4.301 13.173 1.00 0.00 C ATOM 1413 C LEU A 86 6.180 -3.695 13.301 1.00 0.00 C ATOM 1414 O LEU A 86 5.335 -3.869 12.448 1.00 0.00 O ATOM 1415 CB LEU A 86 7.795 -5.277 14.341 1.00 0.00 C ATOM 1416 CG LEU A 86 6.527 -6.118 14.601 1.00 0.00 C ATOM 1417 CD1 LEU A 86 5.544 -5.346 15.481 1.00 0.00 C ATOM 1418 CD2 LEU A 86 5.851 -6.479 13.274 1.00 0.00 C ATOM 0 H LEU A 86 9.317 -3.343 13.948 1.00 0.00 H new ATOM 0 HA LEU A 86 7.657 -4.825 12.221 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.634 -5.936 14.116 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.059 -4.721 15.241 1.00 0.00 H new ATOM 0 HG LEU A 86 6.822 -7.032 15.116 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.656 -5.954 15.654 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.016 -5.113 16.435 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.258 -4.420 14.982 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.958 -7.072 13.470 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.572 -5.566 12.748 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.542 -7.056 12.659 1.00 0.00 H new ATOM 1430 N GLU A 87 5.921 -3.035 14.387 1.00 0.00 N ATOM 1431 CA GLU A 87 4.566 -2.471 14.599 1.00 0.00 C ATOM 1432 C GLU A 87 4.087 -1.754 13.333 1.00 0.00 C ATOM 1433 O GLU A 87 3.044 -2.062 12.792 1.00 0.00 O ATOM 1434 CB GLU A 87 4.596 -1.483 15.767 1.00 0.00 C ATOM 1435 CG GLU A 87 3.205 -1.391 16.397 1.00 0.00 C ATOM 1436 CD GLU A 87 2.402 -0.289 15.704 1.00 0.00 C ATOM 1437 OE1 GLU A 87 2.907 0.271 14.744 1.00 0.00 O ATOM 1438 OE2 GLU A 87 1.296 -0.022 16.143 1.00 0.00 O ATOM 0 H GLU A 87 6.589 -2.861 15.138 1.00 0.00 H new ATOM 0 HA GLU A 87 3.878 -3.285 14.828 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.323 -1.807 16.512 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.914 -0.501 15.418 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.688 -2.346 16.303 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.290 -1.178 17.463 1.00 0.00 H new ATOM 1445 N GLU A 88 4.836 -0.796 12.861 1.00 0.00 N ATOM 1446 CA GLU A 88 4.418 -0.056 11.635 1.00 0.00 C ATOM 1447 C GLU A 88 4.252 -1.036 10.474 1.00 0.00 C ATOM 1448 O GLU A 88 3.451 -0.830 9.584 1.00 0.00 O ATOM 1449 CB GLU A 88 5.485 0.979 11.275 1.00 0.00 C ATOM 1450 CG GLU A 88 4.854 2.098 10.444 1.00 0.00 C ATOM 1451 CD GLU A 88 5.827 3.274 10.347 1.00 0.00 C ATOM 1452 OE1 GLU A 88 6.779 3.295 11.110 1.00 0.00 O ATOM 1453 OE2 GLU A 88 5.606 4.134 9.509 1.00 0.00 O ATOM 0 H GLU A 88 5.720 -0.493 13.271 1.00 0.00 H new ATOM 0 HA GLU A 88 3.469 0.447 11.824 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.927 1.391 12.182 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.291 0.506 10.714 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.610 1.731 9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.920 2.422 10.902 1.00 0.00 H new ATOM 1460 N ARG A 89 5.008 -2.097 10.471 1.00 0.00 N ATOM 1461 CA ARG A 89 4.896 -3.085 9.363 1.00 0.00 C ATOM 1462 C ARG A 89 3.537 -3.785 9.424 1.00 0.00 C ATOM 1463 O ARG A 89 2.698 -3.592 8.575 1.00 0.00 O ATOM 1464 CB ARG A 89 6.007 -4.129 9.485 1.00 0.00 C ATOM 1465 CG ARG A 89 5.834 -5.179 8.386 1.00 0.00 C ATOM 1466 CD ARG A 89 6.145 -6.567 8.948 1.00 0.00 C ATOM 1467 NE ARG A 89 4.875 -7.244 9.329 1.00 0.00 N ATOM 1468 CZ ARG A 89 4.764 -8.539 9.211 1.00 0.00 C ATOM 1469 NH1 ARG A 89 5.402 -9.327 10.033 1.00 0.00 N ATOM 1470 NH2 ARG A 89 4.015 -9.047 8.270 1.00 0.00 N ATOM 0 H ARG A 89 5.698 -2.323 11.187 1.00 0.00 H new ATOM 0 HA ARG A 89 4.991 -2.561 8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 89 6.983 -3.651 9.397 1.00 0.00 H new ATOM 0 HB3 ARG A 89 5.971 -4.603 10.466 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.815 -5.152 8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.497 -4.957 7.550 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.678 -7.161 8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.799 -6.482 9.816 1.00 0.00 H new ATOM 0 HE ARG A 89 4.091 -6.695 9.682 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.988 -8.931 10.768 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.315 -10.339 9.940 1.00 0.00 H new ATOM 0 HH21 ARG A 89 3.517 -8.432 7.627 1.00 0.00 H new ATOM 0 HH22 ARG A 89 3.928 -10.059 8.178 1.00 0.00 H new ATOM 1484 N ASP A 90 3.319 -4.605 10.416 1.00 0.00 N ATOM 1485 CA ASP A 90 2.014 -5.323 10.517 1.00 0.00 C ATOM 1486 C ASP A 90 0.859 -4.319 10.491 1.00 0.00 C ATOM 1487 O ASP A 90 -0.257 -4.655 10.149 1.00 0.00 O ATOM 1488 CB ASP A 90 1.970 -6.116 11.825 1.00 0.00 C ATOM 1489 CG ASP A 90 1.725 -7.594 11.519 1.00 0.00 C ATOM 1490 OD1 ASP A 90 0.581 -7.950 11.293 1.00 0.00 O ATOM 1491 OD2 ASP A 90 2.688 -8.344 11.512 1.00 0.00 O ATOM 0 H ASP A 90 3.986 -4.809 11.160 1.00 0.00 H new ATOM 0 HA ASP A 90 1.914 -6.003 9.671 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.908 -5.997 12.366 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.179 -5.731 12.469 1.00 0.00 H new ATOM 1496 N ALA A 91 1.112 -3.091 10.852 1.00 0.00 N ATOM 1497 CA ALA A 91 0.021 -2.076 10.846 1.00 0.00 C ATOM 1498 C ALA A 91 -0.268 -1.642 9.407 1.00 0.00 C ATOM 1499 O ALA A 91 -1.397 -1.381 9.040 1.00 0.00 O ATOM 1500 CB ALA A 91 0.451 -0.861 11.669 1.00 0.00 C ATOM 0 H ALA A 91 2.025 -2.747 11.150 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.880 -2.510 11.281 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.347 -0.118 11.665 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.654 -1.170 12.694 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.352 -0.428 11.235 1.00 0.00 H new ATOM 1506 N TRP A 92 0.746 -1.563 8.590 1.00 0.00 N ATOM 1507 CA TRP A 92 0.543 -1.147 7.179 1.00 0.00 C ATOM 1508 C TRP A 92 -0.052 -2.311 6.384 1.00 0.00 C ATOM 1509 O TRP A 92 -0.925 -2.134 5.564 1.00 0.00 O ATOM 1510 CB TRP A 92 1.898 -0.773 6.585 1.00 0.00 C ATOM 1511 CG TRP A 92 2.067 0.710 6.610 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.833 1.384 7.496 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.480 1.711 5.731 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.756 2.736 7.217 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.933 2.988 6.139 1.00 0.00 C ATOM 1516 CE3 TRP A 92 0.606 1.636 4.629 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.534 4.149 5.478 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.202 2.805 3.961 1.00 0.00 C ATOM 1519 CH2 TRP A 92 0.666 4.058 4.386 1.00 0.00 C ATOM 0 H TRP A 92 1.712 -1.771 8.844 1.00 0.00 H new ATOM 0 HA TRP A 92 -0.137 -0.296 7.135 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.698 -1.249 7.152 1.00 0.00 H new ATOM 0 HB3 TRP A 92 1.971 -1.140 5.561 1.00 0.00 H new ATOM 0 HD1 TRP A 92 3.411 0.939 8.292 1.00 0.00 H new ATOM 0 HE1 TRP A 92 3.247 3.458 7.744 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.244 0.675 4.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.893 5.113 5.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.468 2.738 3.117 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.353 4.953 3.869 1.00 0.00 H new ATOM 1530 N VAL A 93 0.429 -3.498 6.623 1.00 0.00 N ATOM 1531 CA VAL A 93 -0.089 -4.691 5.884 1.00 0.00 C ATOM 1532 C VAL A 93 -1.463 -5.083 6.431 1.00 0.00 C ATOM 1533 O VAL A 93 -2.280 -5.648 5.731 1.00 0.00 O ATOM 1534 CB VAL A 93 0.876 -5.876 6.047 1.00 0.00 C ATOM 1535 CG1 VAL A 93 1.917 -5.845 4.928 1.00 0.00 C ATOM 1536 CG2 VAL A 93 1.588 -5.797 7.399 1.00 0.00 C ATOM 0 H VAL A 93 1.163 -3.698 7.302 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.173 -4.437 4.827 1.00 0.00 H new ATOM 0 HB VAL A 93 0.306 -6.803 5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.601 -6.686 5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.416 -5.916 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.477 -4.911 4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.269 -6.642 7.502 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.153 -4.867 7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.850 -5.826 8.201 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.723 -4.797 7.675 1.00 0.00 N ATOM 1547 CA ARG A 94 -3.043 -5.164 8.259 1.00 0.00 C ATOM 1548 C ARG A 94 -4.116 -4.183 7.784 1.00 0.00 C ATOM 1549 O ARG A 94 -5.272 -4.530 7.664 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.957 -5.121 9.786 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.825 -3.671 10.250 1.00 0.00 C ATOM 1552 CD ARG A 94 -2.869 -3.616 11.777 1.00 0.00 C ATOM 1553 NE ARG A 94 -4.101 -4.298 12.264 1.00 0.00 N ATOM 1554 CZ ARG A 94 -5.094 -3.595 12.736 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -5.534 -2.561 12.073 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -5.646 -3.925 13.872 1.00 0.00 N ATOM 0 H ARG A 94 -1.081 -4.326 8.312 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.308 -6.170 7.935 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.847 -5.574 10.224 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.101 -5.703 10.129 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.889 -3.246 9.887 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -3.632 -3.069 9.831 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.985 -4.098 12.194 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.857 -2.580 12.115 1.00 0.00 H new ATOM 0 HE ARG A 94 -4.168 -5.315 12.228 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.102 -2.302 11.186 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.310 -2.011 12.442 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.301 -4.733 14.391 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.422 -3.375 14.241 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.749 -2.958 7.520 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.764 -1.967 7.063 1.00 0.00 C ATOM 1572 C ASP A 95 -4.860 -1.981 5.536 1.00 0.00 C ATOM 1573 O ASP A 95 -5.904 -1.726 4.969 1.00 0.00 O ATOM 1574 CB ASP A 95 -4.363 -0.570 7.538 1.00 0.00 C ATOM 1575 CG ASP A 95 -5.396 -0.061 8.545 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -5.446 -0.600 9.639 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -6.122 0.860 8.204 1.00 0.00 O ATOM 0 H ASP A 95 -2.796 -2.603 7.600 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.735 -2.231 7.483 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.375 -0.599 7.997 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.300 0.111 6.689 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.784 -2.279 4.861 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.828 -2.310 3.373 1.00 0.00 C ATOM 1584 C ILE A 96 -4.615 -3.554 2.934 1.00 0.00 C ATOM 1585 O ILE A 96 -5.274 -3.558 1.912 1.00 0.00 O ATOM 1586 CB ILE A 96 -2.381 -2.319 2.816 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -2.186 -1.105 1.900 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -2.094 -3.600 2.019 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.770 -0.537 2.077 1.00 0.00 C ATOM 0 H ILE A 96 -2.879 -2.502 5.275 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.329 -1.426 2.979 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.691 -2.278 3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.344 -1.394 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.926 -0.340 2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.071 -3.573 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.220 -4.467 2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.787 -3.670 1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.639 0.325 1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.628 -0.231 3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.037 -1.301 1.820 1.00 0.00 H new ATOM 1601 N ASN A 97 -4.552 -4.608 3.706 1.00 0.00 N ATOM 1602 CA ASN A 97 -5.294 -5.848 3.340 1.00 0.00 C ATOM 1603 C ASN A 97 -6.735 -5.760 3.850 1.00 0.00 C ATOM 1604 O ASN A 97 -7.656 -6.218 3.205 1.00 0.00 O ATOM 1605 CB ASN A 97 -4.604 -7.061 3.967 1.00 0.00 C ATOM 1606 CG ASN A 97 -4.369 -8.125 2.895 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -4.588 -9.297 3.126 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -3.930 -7.763 1.720 1.00 0.00 N ATOM 0 H ASN A 97 -4.018 -4.662 4.574 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.302 -5.954 2.255 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.655 -6.763 4.413 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.219 -7.468 4.770 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.771 -8.464 0.997 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.746 -6.779 1.525 1.00 0.00 H new ATOM 1615 N LYS A 98 -6.941 -5.175 4.999 1.00 0.00 N ATOM 1616 CA LYS A 98 -8.330 -5.065 5.531 1.00 0.00 C ATOM 1617 C LYS A 98 -9.138 -4.132 4.630 1.00 0.00 C ATOM 1618 O LYS A 98 -10.248 -4.436 4.240 1.00 0.00 O ATOM 1619 CB LYS A 98 -8.297 -4.497 6.951 1.00 0.00 C ATOM 1620 CG LYS A 98 -8.845 -5.537 7.931 1.00 0.00 C ATOM 1621 CD LYS A 98 -7.681 -6.258 8.614 1.00 0.00 C ATOM 1622 CE LYS A 98 -7.824 -7.768 8.412 1.00 0.00 C ATOM 1623 NZ LYS A 98 -9.078 -8.239 9.066 1.00 0.00 N ATOM 0 H LYS A 98 -6.213 -4.771 5.589 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.791 -6.052 5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.276 -4.228 7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.891 -3.585 7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.475 -5.053 8.677 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.472 -6.255 7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.733 -5.914 8.200 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.668 -6.023 9.678 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.845 -8.003 7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.963 -8.286 8.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.980 -9.242 9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.255 -7.677 9.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.876 -8.127 8.408 1.00 0.00 H new ATOM 1637 N ALA A 99 -8.587 -2.998 4.295 1.00 0.00 N ATOM 1638 CA ALA A 99 -9.320 -2.045 3.417 1.00 0.00 C ATOM 1639 C ALA A 99 -9.474 -2.656 2.023 1.00 0.00 C ATOM 1640 O ALA A 99 -10.485 -2.491 1.371 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.536 -0.735 3.318 1.00 0.00 C ATOM 0 H ALA A 99 -7.661 -2.691 4.592 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.305 -1.845 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -9.073 -0.037 2.675 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.425 -0.301 4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.550 -0.932 2.896 1.00 0.00 H new ATOM 1647 N ILE A 100 -8.478 -3.364 1.562 1.00 0.00 N ATOM 1648 CA ILE A 100 -8.574 -3.985 0.211 1.00 0.00 C ATOM 1649 C ILE A 100 -9.561 -5.153 0.259 1.00 0.00 C ATOM 1650 O ILE A 100 -10.132 -5.538 -0.743 1.00 0.00 O ATOM 1651 CB ILE A 100 -7.195 -4.492 -0.219 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -6.314 -3.303 -0.609 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -7.341 -5.427 -1.422 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -4.908 -3.800 -0.949 1.00 0.00 C ATOM 0 H ILE A 100 -7.606 -3.538 2.061 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.924 -3.244 -0.508 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.737 -5.034 0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.744 -2.783 -1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.269 -2.586 0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.358 -5.786 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.969 -6.275 -1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.801 -4.886 -2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.280 -2.953 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.479 -4.300 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.961 -4.501 -1.782 1.00 0.00 H new ATOM 1666 N LYS A 101 -9.767 -5.721 1.414 1.00 0.00 N ATOM 1667 CA LYS A 101 -10.717 -6.863 1.521 1.00 0.00 C ATOM 1668 C LYS A 101 -12.119 -6.334 1.817 1.00 0.00 C ATOM 1669 O LYS A 101 -13.102 -7.035 1.681 1.00 0.00 O ATOM 1670 CB LYS A 101 -10.270 -7.796 2.648 1.00 0.00 C ATOM 1671 CG LYS A 101 -10.515 -9.249 2.235 1.00 0.00 C ATOM 1672 CD LYS A 101 -9.181 -9.996 2.178 1.00 0.00 C ATOM 1673 CE LYS A 101 -9.426 -11.493 2.371 1.00 0.00 C ATOM 1674 NZ LYS A 101 -8.453 -12.034 3.360 1.00 0.00 N ATOM 0 H LYS A 101 -9.319 -5.444 2.288 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.730 -7.414 0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.213 -7.642 2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.819 -7.569 3.562 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.184 -9.732 2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.005 -9.284 1.262 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.693 -9.817 1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.510 -9.624 2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.445 -11.663 2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.321 -12.015 1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.620 -13.052 3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.485 -11.884 3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.574 -11.544 4.269 1.00 0.00 H new ATOM 1688 N CYS A 102 -12.215 -5.101 2.218 1.00 0.00 N ATOM 1689 CA CYS A 102 -13.551 -4.514 2.523 1.00 0.00 C ATOM 1690 C CYS A 102 -14.066 -3.762 1.295 1.00 0.00 C ATOM 1691 O CYS A 102 -15.256 -3.607 1.102 1.00 0.00 O ATOM 1692 CB CYS A 102 -13.428 -3.544 3.698 1.00 0.00 C ATOM 1693 SG CYS A 102 -14.865 -2.442 3.725 1.00 0.00 S ATOM 0 H CYS A 102 -11.425 -4.470 2.349 1.00 0.00 H new ATOM 0 HA CYS A 102 -14.247 -5.311 2.783 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -13.363 -4.097 4.635 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -12.511 -2.961 3.608 1.00 0.00 H new ATOM 0 HG CYS A 102 -15.658 -2.739 2.739 1.00 0.00 H new ATOM 1699 N ILE A 103 -13.178 -3.291 0.465 1.00 0.00 N ATOM 1700 CA ILE A 103 -13.606 -2.546 -0.746 1.00 0.00 C ATOM 1701 C ILE A 103 -14.114 -3.532 -1.800 1.00 0.00 C ATOM 1702 O ILE A 103 -14.854 -3.172 -2.694 1.00 0.00 O ATOM 1703 CB ILE A 103 -12.409 -1.776 -1.298 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -12.827 -1.023 -2.556 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -11.285 -2.756 -1.644 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -13.758 0.130 -2.178 1.00 0.00 C ATOM 0 H ILE A 103 -12.169 -3.392 0.576 1.00 0.00 H new ATOM 0 HA ILE A 103 -14.407 -1.852 -0.492 1.00 0.00 H new ATOM 0 HB ILE A 103 -12.056 -1.068 -0.548 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.947 -0.639 -3.072 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.331 -1.699 -3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.431 -2.205 -2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.985 -3.297 -0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.638 -3.464 -2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.056 0.667 -3.078 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -14.644 -0.266 -1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.238 0.811 -1.504 1.00 0.00 H new ATOM 1718 N GLU A 104 -13.727 -4.774 -1.700 1.00 0.00 N ATOM 1719 CA GLU A 104 -14.194 -5.780 -2.695 1.00 0.00 C ATOM 1720 C GLU A 104 -15.700 -5.988 -2.534 1.00 0.00 C ATOM 1721 O GLU A 104 -16.348 -6.595 -3.362 1.00 0.00 O ATOM 1722 CB GLU A 104 -13.466 -7.105 -2.465 1.00 0.00 C ATOM 1723 CG GLU A 104 -11.969 -6.913 -2.719 1.00 0.00 C ATOM 1724 CD GLU A 104 -11.565 -7.665 -3.988 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -11.769 -7.125 -5.063 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -11.059 -8.768 -3.863 1.00 0.00 O ATOM 0 H GLU A 104 -13.109 -5.135 -0.974 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.981 -5.423 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.632 -7.451 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.864 -7.871 -3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.740 -5.852 -2.824 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.395 -7.280 -1.868 1.00 0.00 H new ATOM 1733 N GLY A 105 -16.258 -5.479 -1.474 1.00 0.00 N ATOM 1734 CA GLY A 105 -17.722 -5.632 -1.248 1.00 0.00 C ATOM 1735 C GLY A 105 -18.369 -4.247 -1.180 1.00 0.00 C ATOM 1736 O GLY A 105 -19.544 -4.110 -0.910 1.00 0.00 O ATOM 0 H GLY A 105 -15.761 -4.960 -0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -18.167 -6.215 -2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -17.904 -6.177 -0.322 1.00 0.00 H new ATOM 1740 N LEU A 106 -17.603 -3.219 -1.426 1.00 0.00 N ATOM 1741 CA LEU A 106 -18.160 -1.840 -1.380 1.00 0.00 C ATOM 1742 C LEU A 106 -18.325 -1.319 -2.804 1.00 0.00 C ATOM 1743 O LEU A 106 -17.764 -0.310 -3.183 1.00 0.00 O ATOM 1744 CB LEU A 106 -17.201 -0.931 -0.613 1.00 0.00 C ATOM 1745 CG LEU A 106 -17.969 -0.151 0.454 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -19.110 0.627 -0.205 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -18.544 -1.126 1.483 1.00 0.00 C ATOM 0 H LEU A 106 -16.611 -3.277 -1.658 1.00 0.00 H new ATOM 0 HA LEU A 106 -19.128 -1.851 -0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -16.416 -1.526 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -16.712 -0.240 -1.300 1.00 0.00 H new ATOM 0 HG LEU A 106 -17.294 0.546 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -19.658 1.183 0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -18.701 1.322 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -19.785 -0.069 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -19.092 -0.570 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -19.219 -1.823 0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -17.731 -1.680 1.953 1.00 0.00 H new ATOM 1759 N GLU A 107 -19.092 -2.009 -3.592 1.00 0.00 N ATOM 1760 CA GLU A 107 -19.306 -1.573 -5.000 1.00 0.00 C ATOM 1761 C GLU A 107 -20.020 -0.220 -5.014 1.00 0.00 C ATOM 1762 O GLU A 107 -20.594 0.200 -4.029 1.00 0.00 O ATOM 1763 CB GLU A 107 -20.162 -2.610 -5.730 1.00 0.00 C ATOM 1764 CG GLU A 107 -19.417 -3.944 -5.779 1.00 0.00 C ATOM 1765 CD GLU A 107 -20.388 -5.085 -5.466 1.00 0.00 C ATOM 1766 OE1 GLU A 107 -21.414 -4.814 -4.866 1.00 0.00 O ATOM 1767 OE2 GLU A 107 -20.088 -6.209 -5.832 1.00 0.00 O ATOM 0 H GLU A 107 -19.584 -2.861 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 107 -18.343 -1.479 -5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -21.117 -2.733 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -20.383 -2.268 -6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -18.975 -4.089 -6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -18.598 -3.942 -5.059 1.00 0.00 H new ATOM 1774 N HIS A 108 -19.990 0.466 -6.123 1.00 0.00 N ATOM 1775 CA HIS A 108 -20.667 1.790 -6.200 1.00 0.00 C ATOM 1776 C HIS A 108 -21.438 1.892 -7.519 1.00 0.00 C ATOM 1777 O HIS A 108 -20.894 2.266 -8.539 1.00 0.00 O ATOM 1778 CB HIS A 108 -19.621 2.905 -6.133 1.00 0.00 C ATOM 1779 CG HIS A 108 -19.897 3.779 -4.942 1.00 0.00 C ATOM 1780 ND1 HIS A 108 -18.895 4.191 -4.077 1.00 0.00 N ATOM 1781 CD2 HIS A 108 -21.059 4.328 -4.456 1.00 0.00 C ATOM 1782 CE1 HIS A 108 -19.467 4.953 -3.126 1.00 0.00 C ATOM 1783 NE2 HIS A 108 -20.785 5.069 -3.311 1.00 0.00 N ATOM 0 H HIS A 108 -19.525 0.166 -6.980 1.00 0.00 H new ATOM 0 HA HIS A 108 -21.359 1.892 -5.364 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -18.621 2.477 -6.059 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -19.647 3.498 -7.047 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -22.037 4.203 -4.896 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -18.926 5.414 -2.313 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -21.448 5.589 -2.736 1.00 0.00 H new ATOM 1791 N HIS A 109 -22.700 1.561 -7.506 1.00 0.00 N ATOM 1792 CA HIS A 109 -23.503 1.638 -8.759 1.00 0.00 C ATOM 1793 C HIS A 109 -23.230 2.970 -9.459 1.00 0.00 C ATOM 1794 O HIS A 109 -23.259 4.021 -8.850 1.00 0.00 O ATOM 1795 CB HIS A 109 -24.991 1.537 -8.417 1.00 0.00 C ATOM 1796 CG HIS A 109 -25.277 0.181 -7.834 1.00 0.00 C ATOM 1797 ND1 HIS A 109 -24.388 -0.875 -7.950 1.00 0.00 N ATOM 1798 CD2 HIS A 109 -26.349 -0.307 -7.129 1.00 0.00 C ATOM 1799 CE1 HIS A 109 -24.935 -1.936 -7.327 1.00 0.00 C ATOM 1800 NE2 HIS A 109 -26.131 -1.644 -6.810 1.00 0.00 N ATOM 0 H HIS A 109 -23.210 1.241 -6.682 1.00 0.00 H new ATOM 0 HA HIS A 109 -23.225 0.817 -9.420 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -25.266 2.316 -7.706 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -25.593 1.695 -9.312 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -27.228 0.261 -6.862 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -24.464 -2.905 -7.254 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -26.751 -2.267 -6.293 1.00 0.00 H new ATOM 1808 N HIS A 110 -22.965 2.936 -10.737 1.00 0.00 N ATOM 1809 CA HIS A 110 -22.690 4.201 -11.476 1.00 0.00 C ATOM 1810 C HIS A 110 -23.589 4.275 -12.711 1.00 0.00 C ATOM 1811 O HIS A 110 -23.130 4.511 -13.811 1.00 0.00 O ATOM 1812 CB HIS A 110 -21.222 4.230 -11.909 1.00 0.00 C ATOM 1813 CG HIS A 110 -20.805 5.652 -12.170 1.00 0.00 C ATOM 1814 ND1 HIS A 110 -19.809 5.975 -13.078 1.00 0.00 N ATOM 1815 CD2 HIS A 110 -21.239 6.846 -11.649 1.00 0.00 C ATOM 1816 CE1 HIS A 110 -19.676 7.314 -13.076 1.00 0.00 C ATOM 1817 NE2 HIS A 110 -20.525 7.894 -12.223 1.00 0.00 N ATOM 0 H HIS A 110 -22.927 2.087 -11.301 1.00 0.00 H new ATOM 0 HA HIS A 110 -22.894 5.053 -10.827 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -20.594 3.792 -11.133 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -21.085 3.629 -12.808 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -22.016 6.955 -10.907 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -18.969 7.854 -13.689 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -20.628 8.891 -12.033 1.00 0.00 H new ATOM 1825 N HIS A 111 -24.867 4.078 -12.540 1.00 0.00 N ATOM 1826 CA HIS A 111 -25.794 4.139 -13.706 1.00 0.00 C ATOM 1827 C HIS A 111 -25.182 3.380 -14.885 1.00 0.00 C ATOM 1828 O HIS A 111 -25.224 3.829 -16.014 1.00 0.00 O ATOM 1829 CB HIS A 111 -26.021 5.599 -14.101 1.00 0.00 C ATOM 1830 CG HIS A 111 -27.016 6.225 -13.165 1.00 0.00 C ATOM 1831 ND1 HIS A 111 -26.630 7.013 -12.093 1.00 0.00 N ATOM 1832 CD2 HIS A 111 -28.389 6.186 -13.126 1.00 0.00 C ATOM 1833 CE1 HIS A 111 -27.747 7.416 -11.461 1.00 0.00 C ATOM 1834 NE2 HIS A 111 -28.848 6.939 -12.049 1.00 0.00 N ATOM 0 H HIS A 111 -25.310 3.877 -11.643 1.00 0.00 H new ATOM 0 HA HIS A 111 -26.747 3.683 -13.437 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -25.079 6.146 -14.066 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -26.385 5.656 -15.127 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -29.016 5.652 -13.825 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -27.753 8.048 -10.585 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -29.817 7.093 -11.769 1.00 0.00 H new ATOM 1842 N HIS A 112 -24.614 2.232 -14.634 1.00 0.00 N ATOM 1843 CA HIS A 112 -24.001 1.446 -15.743 1.00 0.00 C ATOM 1844 C HIS A 112 -25.069 0.566 -16.396 1.00 0.00 C ATOM 1845 O HIS A 112 -24.888 -0.625 -16.564 1.00 0.00 O ATOM 1846 CB HIS A 112 -22.883 0.564 -15.185 1.00 0.00 C ATOM 1847 CG HIS A 112 -23.458 -0.401 -14.185 1.00 0.00 C ATOM 1848 ND1 HIS A 112 -23.787 -1.705 -14.520 1.00 0.00 N ATOM 1849 CD2 HIS A 112 -23.768 -0.266 -12.855 1.00 0.00 C ATOM 1850 CE1 HIS A 112 -24.272 -2.298 -13.414 1.00 0.00 C ATOM 1851 NE2 HIS A 112 -24.282 -1.464 -12.369 1.00 0.00 N ATOM 0 H HIS A 112 -24.548 1.805 -13.710 1.00 0.00 H new ATOM 0 HA HIS A 112 -23.588 2.128 -16.487 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -22.397 0.019 -15.994 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -22.119 1.182 -14.713 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -23.681 -2.137 -15.438 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -23.633 0.634 -12.274 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -24.612 -3.322 -13.375 1.00 0.00 H new ATOM 1859 N HIS A 113 -26.180 1.141 -16.765 1.00 0.00 N ATOM 1860 CA HIS A 113 -27.258 0.337 -17.409 1.00 0.00 C ATOM 1861 C HIS A 113 -27.742 -0.741 -16.436 1.00 0.00 C ATOM 1862 O HIS A 113 -28.003 -0.405 -15.292 1.00 0.00 O ATOM 1863 CB HIS A 113 -26.713 -0.327 -18.675 1.00 0.00 C ATOM 1864 CG HIS A 113 -25.804 0.634 -19.391 1.00 0.00 C ATOM 1865 ND1 HIS A 113 -24.436 0.740 -19.441 1.00 0.00 N flip ATOM 1866 CD2 HIS A 113 -26.291 1.658 -20.187 1.00 0.00 C flip ATOM 1867 CE1 HIS A 113 -24.078 1.811 -20.253 1.00 0.00 C flip ATOM 1868 NE2 HIS A 113 -25.233 2.330 -20.677 1.00 0.00 N flip ATOM 1869 OXT HIS A 113 -27.841 -1.883 -16.851 1.00 0.00 O ATOM 0 H HIS A 113 -26.389 2.133 -16.649 1.00 0.00 H new ATOM 0 HA HIS A 113 -28.090 0.990 -17.671 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -26.169 -1.236 -18.417 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -27.535 -0.622 -19.327 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -27.331 1.877 -20.379 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -23.080 2.150 -20.490 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -25.305 3.137 -21.297 1.00 0.00 H new TER 1877 HIS A 113