USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 852 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: B 38 GLN : amide:sc= 0.496 K(o=2.1,f=-0.024) USER MOD Set 1.2: B 39 GLN : amide:sc= 1.6 K(o=2.1,f=-0.024) USER MOD Set 2.1: B 17 CYS SG : rot 178:sc= 0.0341 USER MOD Set 2.2: B 46 SER OG : rot 158:sc= 0.823 USER MOD Set 3.1: B 8 GLN : amide:sc= 0.347 K(o=0.82,f=1.6) USER MOD Set 3.2: B 30 SER OG : rot 180:sc= 0.468 USER MOD Set 4.1: A 38 GLN : amide:sc= 0.361 K(o=1.8,f=0.27) USER MOD Set 4.2: A 39 GLN : amide:sc= 1.47 K(o=1.8,f=0.27) USER MOD Set 5.1: A 8 GLN : amide:sc= 0.991 K(o=5,f=2.3) USER MOD Set 5.2: A 30 SER OG : rot 73:sc= 2.02 USER MOD Set 5.3: B 44 THR OG1 : rot -35:sc= 2 USER MOD Set 6.1: A 18 LYS NZ :NH3+ -162:sc= 0.548 (180deg=-1.14!) USER MOD Set 6.2: B 4 MET CE :methyl -111:sc= -0.0788 (180deg=-0.145) USER MOD Set 7.1: A 4 MET CE :methyl 175:sc= 0 (180deg=-0.00324) USER MOD Set 7.2: B 56 GLN : amide:sc= 1.36 K(o=1.4,f=-7!) USER MOD Set 8.1: A 1 GLY N :NH3+ -131:sc= 1.94 (180deg=-0.129) USER MOD Set 8.2: A 2 SER OG : rot 2:sc= 0.222 USER MOD Set 8.3: A 3 HIS : no HD1:sc= 0.91 K(o=3.1,f=-1.7) USER MOD Single : A 10 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-2.9!) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 1.24 (180deg=1.22) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.192 USER MOD Single : A 16 CYS SG : rot -172:sc= -1.14 USER MOD Single : A 17 CYS SG : rot -137:sc= 0.397 USER MOD Single : A 26 THR OG1 : rot 57:sc= 0.982 USER MOD Single : A 29 SER OG : rot 180:sc= -0.756 USER MOD Single : A 36 THR OG1 : rot 92:sc= 1.26 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -177:sc= 0.899 USER MOD Single : A 46 SER OG : rot 1:sc= 1.12 USER MOD Single : A 54 THR OG1 : rot 87:sc= 1.28 USER MOD Single : A 55 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.4!) USER MOD Single : A 56 GLN : amide:sc= 0.971 K(o=0.97,f=-13!) USER MOD Single : B 1 GLY N :NH3+ 150:sc= 0.989 (180deg=0.452) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0287 USER MOD Single : B 3 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.9!) USER MOD Single : B 10 HIS : no HE2:sc= -0.628 K(o=-0.63,f=-2.1!) USER MOD Single : B 11 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.03) USER MOD Single : B 14 CYS SG : rot -82:sc= 0.456 USER MOD Single : B 16 CYS SG : rot 137:sc= 0.28 USER MOD Single : B 18 LYS NZ :NH3+ -140:sc= 2.35 (180deg=-1.46) USER MOD Single : B 26 THR OG1 : rot 52:sc= 0.753 USER MOD Single : B 29 SER OG : rot -150:sc= -0.455 USER MOD Single : B 36 THR OG1 : rot 73:sc= 1.16 USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 54 THR OG1 : rot 101:sc= 1.23 USER MOD Single : B 55 ASN : amide:sc= -0.373 K(o=-0.37,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.468 10.437 4.644 1.00 0.00 N ATOM 2 CA GLY A 1 -22.667 11.840 5.044 1.00 0.00 C ATOM 3 C GLY A 1 -21.552 12.246 5.988 1.00 0.00 C ATOM 4 O GLY A 1 -20.397 12.219 5.577 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.544 10.357 3.610 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.525 10.120 4.948 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.194 9.842 5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.670 12.485 4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.635 11.959 5.531 1.00 0.00 H new ATOM 8 N SER A 2 -21.855 12.547 7.255 1.00 0.00 N ATOM 9 CA SER A 2 -20.880 12.758 8.331 1.00 0.00 C ATOM 10 C SER A 2 -20.221 11.435 8.781 1.00 0.00 C ATOM 11 O SER A 2 -20.069 11.180 9.975 1.00 0.00 O ATOM 12 CB SER A 2 -21.626 13.449 9.480 1.00 0.00 C ATOM 13 OG SER A 2 -22.701 12.635 9.920 1.00 0.00 O ATOM 0 H SER A 2 -22.819 12.654 7.571 1.00 0.00 H new ATOM 0 HA SER A 2 -20.057 13.382 7.983 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.941 13.639 10.306 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.003 14.417 9.149 1.00 0.00 H new ATOM 0 HG SER A 2 -22.712 11.801 9.405 1.00 0.00 H new ATOM 19 N HIS A 3 -19.946 10.550 7.821 1.00 0.00 N ATOM 20 CA HIS A 3 -19.671 9.126 7.944 1.00 0.00 C ATOM 21 C HIS A 3 -19.516 8.595 6.515 1.00 0.00 C ATOM 22 O HIS A 3 -20.134 9.132 5.586 1.00 0.00 O ATOM 23 CB HIS A 3 -20.839 8.403 8.649 1.00 0.00 C ATOM 24 CG HIS A 3 -22.200 8.747 8.085 1.00 0.00 C ATOM 25 ND1 HIS A 3 -23.051 9.726 8.556 1.00 0.00 N ATOM 26 CD2 HIS A 3 -22.767 8.211 6.960 1.00 0.00 C ATOM 27 CE1 HIS A 3 -24.108 9.775 7.729 1.00 0.00 C ATOM 28 NE2 HIS A 3 -23.955 8.908 6.714 1.00 0.00 N ATOM 0 H HIS A 3 -19.908 10.846 6.846 1.00 0.00 H new ATOM 0 HA HIS A 3 -18.774 8.952 8.539 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -20.686 7.326 8.573 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -20.822 8.653 9.710 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -22.370 7.398 6.370 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -24.963 10.422 7.861 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -24.582 8.782 5.920 1.00 0.00 H new ATOM 36 N MET A 4 -18.741 7.524 6.342 1.00 0.00 N ATOM 37 CA MET A 4 -18.535 6.857 5.065 1.00 0.00 C ATOM 38 C MET A 4 -18.128 5.410 5.344 1.00 0.00 C ATOM 39 O MET A 4 -17.497 5.142 6.368 1.00 0.00 O ATOM 40 CB MET A 4 -17.428 7.599 4.295 1.00 0.00 C ATOM 41 CG MET A 4 -17.110 6.976 2.933 1.00 0.00 C ATOM 42 SD MET A 4 -18.523 6.781 1.808 1.00 0.00 S ATOM 43 CE MET A 4 -18.858 8.516 1.404 1.00 0.00 C ATOM 0 H MET A 4 -18.228 7.089 7.108 1.00 0.00 H new ATOM 0 HA MET A 4 -19.443 6.864 4.463 1.00 0.00 H new ATOM 0 HB2 MET A 4 -17.730 8.636 4.150 1.00 0.00 H new ATOM 0 HB3 MET A 4 -16.522 7.612 4.900 1.00 0.00 H new ATOM 0 HG2 MET A 4 -16.358 7.591 2.439 1.00 0.00 H new ATOM 0 HG3 MET A 4 -16.662 5.996 3.098 1.00 0.00 H new ATOM 0 HE1 MET A 4 -19.644 8.569 0.651 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.180 9.043 2.302 1.00 0.00 H new ATOM 0 HE3 MET A 4 -17.952 8.981 1.016 1.00 0.00 H new ATOM 53 N ALA A 5 -18.447 4.503 4.417 1.00 0.00 N ATOM 54 CA ALA A 5 -17.884 3.168 4.322 1.00 0.00 C ATOM 55 C ALA A 5 -17.991 2.731 2.861 1.00 0.00 C ATOM 56 O ALA A 5 -18.917 3.147 2.164 1.00 0.00 O ATOM 57 CB ALA A 5 -18.665 2.204 5.224 1.00 0.00 C ATOM 0 H ALA A 5 -19.133 4.694 3.686 1.00 0.00 H new ATOM 0 HA ALA A 5 -16.844 3.162 4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.236 1.205 5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -18.607 2.545 6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.708 2.176 4.910 1.00 0.00 H new ATOM 63 N GLU A 6 -17.086 1.857 2.420 1.00 0.00 N ATOM 64 CA GLU A 6 -17.174 1.117 1.171 1.00 0.00 C ATOM 65 C GLU A 6 -16.598 -0.279 1.453 1.00 0.00 C ATOM 66 O GLU A 6 -15.790 -0.413 2.378 1.00 0.00 O ATOM 67 CB GLU A 6 -16.274 1.752 0.089 1.00 0.00 C ATOM 68 CG GLU A 6 -16.562 3.187 -0.364 1.00 0.00 C ATOM 69 CD GLU A 6 -15.380 3.749 -1.179 1.00 0.00 C ATOM 70 OE1 GLU A 6 -15.117 3.249 -2.296 1.00 0.00 O ATOM 71 OE2 GLU A 6 -14.696 4.679 -0.684 1.00 0.00 O ATOM 0 H GLU A 6 -16.240 1.640 2.947 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.207 1.105 0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.248 1.721 0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.318 1.113 -0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.469 3.208 -0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.744 3.819 0.506 1.00 0.00 H new ATOM 78 N PRO A 7 -16.956 -1.304 0.662 1.00 0.00 N ATOM 79 CA PRO A 7 -16.145 -2.510 0.546 1.00 0.00 C ATOM 80 C PRO A 7 -14.892 -2.096 -0.234 1.00 0.00 C ATOM 81 O PRO A 7 -14.851 -1.035 -0.869 1.00 0.00 O ATOM 82 CB PRO A 7 -17.024 -3.497 -0.224 1.00 0.00 C ATOM 83 CG PRO A 7 -17.873 -2.600 -1.128 1.00 0.00 C ATOM 84 CD PRO A 7 -17.990 -1.278 -0.364 1.00 0.00 C ATOM 0 HA PRO A 7 -15.829 -2.965 1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -16.425 -4.198 -0.805 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -17.644 -4.089 0.449 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.400 -2.456 -2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -18.854 -3.039 -1.313 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -17.852 -0.429 -1.033 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -18.979 -1.174 0.083 1.00 0.00 H new ATOM 92 N GLN A 8 -13.870 -2.946 -0.231 1.00 0.00 N ATOM 93 CA GLN A 8 -12.602 -2.712 -0.868 1.00 0.00 C ATOM 94 C GLN A 8 -11.850 -1.599 -0.117 1.00 0.00 C ATOM 95 O GLN A 8 -10.866 -1.913 0.540 1.00 0.00 O ATOM 96 CB GLN A 8 -12.832 -2.580 -2.395 1.00 0.00 C ATOM 97 CG GLN A 8 -12.172 -3.694 -3.212 1.00 0.00 C ATOM 98 CD GLN A 8 -12.714 -5.075 -2.833 1.00 0.00 C ATOM 99 OE1 GLN A 8 -13.859 -5.243 -2.424 1.00 0.00 O ATOM 100 NE2 GLN A 8 -11.878 -6.091 -2.920 1.00 0.00 N ATOM 0 H GLN A 8 -13.916 -3.851 0.238 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.903 -3.546 -0.798 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.904 -2.581 -2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.446 -1.617 -2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.342 -3.516 -4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.094 -3.671 -3.054 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.928 -5.942 -3.261 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.181 -7.026 -2.646 1.00 0.00 H new ATOM 109 N ARG A 9 -12.273 -0.332 -0.178 1.00 0.00 N ATOM 110 CA ARG A 9 -11.596 0.847 0.382 1.00 0.00 C ATOM 111 C ARG A 9 -11.411 0.755 1.905 1.00 0.00 C ATOM 112 O ARG A 9 -12.238 1.259 2.667 1.00 0.00 O ATOM 113 CB ARG A 9 -12.385 2.100 -0.052 1.00 0.00 C ATOM 114 CG ARG A 9 -11.631 3.421 0.031 1.00 0.00 C ATOM 115 CD ARG A 9 -11.861 4.203 1.331 1.00 0.00 C ATOM 116 NE ARG A 9 -11.594 5.653 1.179 1.00 0.00 N ATOM 117 CZ ARG A 9 -12.528 6.625 1.193 1.00 0.00 C ATOM 118 NH1 ARG A 9 -13.822 6.326 1.153 1.00 0.00 N ATOM 119 NH2 ARG A 9 -12.186 7.912 1.241 1.00 0.00 N ATOM 0 H ARG A 9 -13.146 -0.086 -0.645 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.581 0.906 -0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.719 1.958 -1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.280 2.175 0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.564 3.224 -0.076 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.925 4.047 -0.812 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.890 4.059 1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.218 3.799 2.112 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.623 5.939 1.053 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.119 5.351 1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.518 7.071 1.164 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.202 8.177 1.268 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.909 8.632 1.251 1.00 0.00 H new ATOM 133 N HIS A 10 -10.309 0.154 2.361 1.00 0.00 N ATOM 134 CA HIS A 10 -10.049 -0.138 3.768 1.00 0.00 C ATOM 135 C HIS A 10 -8.746 0.541 4.207 1.00 0.00 C ATOM 136 O HIS A 10 -7.935 0.962 3.382 1.00 0.00 O ATOM 137 CB HIS A 10 -10.010 -1.659 3.989 1.00 0.00 C ATOM 138 CG HIS A 10 -11.245 -2.427 3.558 1.00 0.00 C ATOM 139 ND1 HIS A 10 -11.243 -3.662 2.957 1.00 0.00 N ATOM 140 CD2 HIS A 10 -12.538 -1.975 3.517 1.00 0.00 C ATOM 141 CE1 HIS A 10 -12.484 -3.924 2.520 1.00 0.00 C ATOM 142 NE2 HIS A 10 -13.321 -2.938 2.867 1.00 0.00 N ATOM 0 H HIS A 10 -9.556 -0.150 1.744 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.854 0.262 4.384 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.151 -2.062 3.453 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.841 -1.848 5.049 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.435 -4.276 2.859 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -12.893 -1.037 3.917 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.768 -4.806 1.966 1.00 0.00 H new ATOM 150 N LYS A 11 -8.555 0.686 5.523 1.00 0.00 N ATOM 151 CA LYS A 11 -7.602 1.629 6.099 1.00 0.00 C ATOM 152 C LYS A 11 -6.837 0.961 7.234 1.00 0.00 C ATOM 153 O LYS A 11 -7.332 0.900 8.358 1.00 0.00 O ATOM 154 CB LYS A 11 -8.325 2.909 6.554 1.00 0.00 C ATOM 155 CG LYS A 11 -8.753 3.809 5.377 1.00 0.00 C ATOM 156 CD LYS A 11 -10.262 3.841 5.097 1.00 0.00 C ATOM 157 CE LYS A 11 -11.082 4.563 6.179 1.00 0.00 C ATOM 158 NZ LYS A 11 -10.766 6.007 6.277 1.00 0.00 N ATOM 0 H LYS A 11 -9.065 0.145 6.221 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.875 1.925 5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.206 2.635 7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.670 3.474 7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.414 4.826 5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.239 3.472 4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.433 4.331 4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.626 2.818 5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.144 4.443 5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.897 4.090 7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.507 6.488 6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.848 6.130 6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.721 6.418 5.323 1.00 0.00 H new ATOM 172 N ILE A 12 -5.643 0.441 6.938 1.00 0.00 N ATOM 173 CA ILE A 12 -4.753 -0.118 7.950 1.00 0.00 C ATOM 174 C ILE A 12 -3.913 1.045 8.479 1.00 0.00 C ATOM 175 O ILE A 12 -2.971 1.478 7.828 1.00 0.00 O ATOM 176 CB ILE A 12 -3.861 -1.250 7.388 1.00 0.00 C ATOM 177 CG1 ILE A 12 -4.656 -2.335 6.634 1.00 0.00 C ATOM 178 CG2 ILE A 12 -3.035 -1.857 8.542 1.00 0.00 C ATOM 179 CD1 ILE A 12 -3.724 -3.281 5.869 1.00 0.00 C ATOM 0 H ILE A 12 -5.269 0.397 5.990 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.333 -0.581 8.749 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.195 -0.813 6.644 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.256 -2.907 7.342 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.349 -1.863 5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.403 -2.656 8.156 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.410 -1.083 8.988 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.708 -2.260 9.298 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.317 -4.034 5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.143 -2.711 5.144 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.049 -3.772 6.570 1.00 0.00 H new ATOM 191 N LEU A 13 -4.241 1.589 9.646 1.00 0.00 N ATOM 192 CA LEU A 13 -3.394 2.561 10.303 1.00 0.00 C ATOM 193 C LEU A 13 -2.094 1.875 10.700 1.00 0.00 C ATOM 194 O LEU A 13 -2.083 0.955 11.515 1.00 0.00 O ATOM 195 CB LEU A 13 -4.105 3.240 11.476 1.00 0.00 C ATOM 196 CG LEU A 13 -3.325 4.494 11.931 1.00 0.00 C ATOM 197 CD1 LEU A 13 -4.317 5.531 12.455 1.00 0.00 C ATOM 198 CD2 LEU A 13 -2.279 4.204 13.016 1.00 0.00 C ATOM 0 H LEU A 13 -5.096 1.367 10.155 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.159 3.374 9.616 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.116 3.521 11.182 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.197 2.541 12.307 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.781 4.864 11.062 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.776 6.420 12.779 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.015 5.799 11.662 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.868 5.114 13.298 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.770 5.129 13.287 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.772 3.790 13.895 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.551 3.487 12.637 1.00 0.00 H new ATOM 210 N CYS A 14 -1.012 2.334 10.085 1.00 0.00 N ATOM 211 CA CYS A 14 0.347 1.896 10.301 1.00 0.00 C ATOM 212 C CYS A 14 1.237 3.140 10.435 1.00 0.00 C ATOM 213 O CYS A 14 0.745 4.267 10.568 1.00 0.00 O ATOM 214 CB CYS A 14 0.749 1.003 9.117 1.00 0.00 C ATOM 215 SG CYS A 14 2.048 -0.171 9.592 1.00 0.00 S ATOM 0 H CYS A 14 -1.072 3.068 9.379 1.00 0.00 H new ATOM 0 HA CYS A 14 0.457 1.312 11.215 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.123 0.458 8.757 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.100 1.624 8.293 1.00 0.00 H new ATOM 0 HG CYS A 14 2.361 -0.910 8.569 1.00 0.00 H new ATOM 221 N VAL A 15 2.554 2.946 10.359 1.00 0.00 N ATOM 222 CA VAL A 15 3.511 4.027 10.190 1.00 0.00 C ATOM 223 C VAL A 15 4.269 3.821 8.881 1.00 0.00 C ATOM 224 O VAL A 15 4.359 2.702 8.372 1.00 0.00 O ATOM 225 CB VAL A 15 4.455 4.157 11.403 1.00 0.00 C ATOM 226 CG1 VAL A 15 3.691 4.650 12.639 1.00 0.00 C ATOM 227 CG2 VAL A 15 5.201 2.853 11.724 1.00 0.00 C ATOM 0 H VAL A 15 2.985 2.023 10.414 1.00 0.00 H new ATOM 0 HA VAL A 15 2.974 4.974 10.136 1.00 0.00 H new ATOM 0 HB VAL A 15 5.208 4.895 11.128 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.377 4.734 13.482 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.252 5.626 12.430 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.900 3.941 12.885 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.849 3.008 12.587 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.480 2.067 11.948 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.804 2.558 10.865 1.00 0.00 H new ATOM 237 N CYS A 16 4.830 4.906 8.346 1.00 0.00 N ATOM 238 CA CYS A 16 5.790 4.831 7.264 1.00 0.00 C ATOM 239 C CYS A 16 7.040 4.130 7.777 1.00 0.00 C ATOM 240 O CYS A 16 7.599 4.545 8.793 1.00 0.00 O ATOM 241 CB CYS A 16 6.150 6.229 6.759 1.00 0.00 C ATOM 242 SG CYS A 16 7.158 5.999 5.276 1.00 0.00 S ATOM 0 H CYS A 16 4.627 5.856 8.656 1.00 0.00 H new ATOM 0 HA CYS A 16 5.356 4.274 6.433 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.251 6.802 6.531 1.00 0.00 H new ATOM 0 HB3 CYS A 16 6.699 6.786 7.518 1.00 0.00 H new ATOM 0 HG CYS A 16 7.633 7.147 4.892 1.00 0.00 H new ATOM 247 N CYS A 17 7.509 3.137 7.022 1.00 0.00 N ATOM 248 CA CYS A 17 8.667 2.308 7.343 1.00 0.00 C ATOM 249 C CYS A 17 9.898 3.141 7.733 1.00 0.00 C ATOM 250 O CYS A 17 10.662 2.736 8.606 1.00 0.00 O ATOM 251 CB CYS A 17 8.975 1.440 6.118 1.00 0.00 C ATOM 252 SG CYS A 17 10.156 0.128 6.513 1.00 0.00 S ATOM 0 H CYS A 17 7.075 2.879 6.136 1.00 0.00 H new ATOM 0 HA CYS A 17 8.430 1.692 8.210 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.052 0.999 5.742 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.377 2.065 5.320 1.00 0.00 H new ATOM 0 HG CYS A 17 11.035 0.034 5.560 1.00 0.00 H new ATOM 258 N LYS A 18 10.091 4.306 7.094 1.00 0.00 N ATOM 259 CA LYS A 18 11.288 5.124 7.237 1.00 0.00 C ATOM 260 C LYS A 18 11.041 6.547 7.741 1.00 0.00 C ATOM 261 O LYS A 18 11.989 7.174 8.202 1.00 0.00 O ATOM 262 CB LYS A 18 12.064 5.096 5.919 1.00 0.00 C ATOM 263 CG LYS A 18 11.269 5.508 4.663 1.00 0.00 C ATOM 264 CD LYS A 18 12.173 5.581 3.418 1.00 0.00 C ATOM 265 CE LYS A 18 12.410 4.258 2.662 1.00 0.00 C ATOM 266 NZ LYS A 18 13.011 3.179 3.476 1.00 0.00 N ATOM 0 H LYS A 18 9.404 4.705 6.455 1.00 0.00 H new ATOM 0 HA LYS A 18 11.888 4.682 8.032 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.926 5.756 6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.449 4.088 5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.466 4.792 4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.800 6.478 4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.738 6.299 2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.141 5.978 3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.458 3.907 2.265 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.059 4.455 1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.412 2.453 2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.764 3.574 4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.280 2.750 4.078 1.00 0.00 H new ATOM 280 N CYS A 19 9.802 7.051 7.703 1.00 0.00 N ATOM 281 CA CYS A 19 9.456 8.309 8.349 1.00 0.00 C ATOM 282 C CYS A 19 8.949 8.101 9.777 1.00 0.00 C ATOM 283 O CYS A 19 8.883 9.076 10.520 1.00 0.00 O ATOM 284 CB CYS A 19 8.415 9.078 7.558 1.00 0.00 C ATOM 285 SG CYS A 19 8.524 9.061 5.753 1.00 0.00 S ATOM 0 H CYS A 19 9.022 6.598 7.227 1.00 0.00 H new ATOM 0 HA CYS A 19 10.377 8.891 8.386 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.434 8.691 7.835 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.451 10.118 7.883 1.00 0.00 H new ATOM 290 N ASP A 20 8.541 6.871 10.133 1.00 0.00 N ATOM 291 CA ASP A 20 7.836 6.535 11.374 1.00 0.00 C ATOM 292 C ASP A 20 6.642 7.474 11.626 1.00 0.00 C ATOM 293 O ASP A 20 6.317 7.837 12.755 1.00 0.00 O ATOM 294 CB ASP A 20 8.843 6.435 12.526 1.00 0.00 C ATOM 295 CG ASP A 20 8.224 5.857 13.806 1.00 0.00 C ATOM 296 OD1 ASP A 20 7.392 4.929 13.676 1.00 0.00 O ATOM 297 OD2 ASP A 20 8.638 6.304 14.899 1.00 0.00 O ATOM 0 H ASP A 20 8.701 6.056 9.540 1.00 0.00 H new ATOM 0 HA ASP A 20 7.375 5.551 11.287 1.00 0.00 H new ATOM 0 HB2 ASP A 20 9.680 5.809 12.218 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.246 7.425 12.738 1.00 0.00 H new ATOM 302 N GLY A 21 5.983 7.896 10.538 1.00 0.00 N ATOM 303 CA GLY A 21 4.846 8.807 10.582 1.00 0.00 C ATOM 304 C GLY A 21 3.572 8.040 10.283 1.00 0.00 C ATOM 305 O GLY A 21 3.592 7.103 9.491 1.00 0.00 O ATOM 0 H GLY A 21 6.233 7.606 9.593 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.779 9.275 11.564 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.980 9.608 9.855 1.00 0.00 H new ATOM 309 N ARG A 22 2.469 8.466 10.898 1.00 0.00 N ATOM 310 CA ARG A 22 1.155 7.833 10.855 1.00 0.00 C ATOM 311 C ARG A 22 0.685 7.775 9.409 1.00 0.00 C ATOM 312 O ARG A 22 0.386 8.826 8.841 1.00 0.00 O ATOM 313 CB ARG A 22 0.202 8.639 11.763 1.00 0.00 C ATOM 314 CG ARG A 22 -1.263 8.165 11.829 1.00 0.00 C ATOM 315 CD ARG A 22 -2.202 8.813 10.791 1.00 0.00 C ATOM 316 NE ARG A 22 -3.615 8.657 11.188 1.00 0.00 N ATOM 317 CZ ARG A 22 -4.691 8.736 10.392 1.00 0.00 C ATOM 318 NH1 ARG A 22 -4.626 9.204 9.149 1.00 0.00 N ATOM 319 NH2 ARG A 22 -5.877 8.306 10.810 1.00 0.00 N ATOM 0 H ARG A 22 2.471 9.310 11.471 1.00 0.00 H new ATOM 0 HA ARG A 22 1.184 6.809 11.226 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.608 8.629 12.775 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.209 9.676 11.427 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.286 7.084 11.694 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.651 8.370 12.827 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.963 9.872 10.690 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.042 8.356 9.815 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.792 8.469 12.175 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.734 9.519 8.769 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.469 9.248 8.576 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.976 7.911 11.745 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.689 8.371 10.196 1.00 0.00 H new ATOM 333 N ILE A 23 0.578 6.571 8.835 1.00 0.00 N ATOM 334 CA ILE A 23 -0.112 6.395 7.568 1.00 0.00 C ATOM 335 C ILE A 23 -1.361 5.570 7.843 1.00 0.00 C ATOM 336 O ILE A 23 -1.288 4.438 8.312 1.00 0.00 O ATOM 337 CB ILE A 23 0.713 5.718 6.451 1.00 0.00 C ATOM 338 CG1 ILE A 23 2.142 6.251 6.231 1.00 0.00 C ATOM 339 CG2 ILE A 23 -0.114 5.920 5.160 1.00 0.00 C ATOM 340 CD1 ILE A 23 2.958 5.301 5.336 1.00 0.00 C ATOM 0 H ILE A 23 0.961 5.713 9.231 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.330 7.392 7.186 1.00 0.00 H new ATOM 0 HB ILE A 23 0.874 4.679 6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.098 7.239 5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.642 6.368 7.193 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.408 5.465 4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.091 5.452 5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.243 6.986 4.973 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.962 5.703 5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.021 4.321 5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.469 5.205 4.366 1.00 0.00 H new ATOM 352 N GLU A 24 -2.512 6.121 7.488 1.00 0.00 N ATOM 353 CA GLU A 24 -3.743 5.376 7.333 1.00 0.00 C ATOM 354 C GLU A 24 -3.699 4.685 5.966 1.00 0.00 C ATOM 355 O GLU A 24 -4.115 5.265 4.956 1.00 0.00 O ATOM 356 CB GLU A 24 -4.857 6.392 7.540 1.00 0.00 C ATOM 357 CG GLU A 24 -6.270 5.836 7.472 1.00 0.00 C ATOM 358 CD GLU A 24 -7.326 6.905 7.806 1.00 0.00 C ATOM 359 OE1 GLU A 24 -6.968 7.947 8.417 1.00 0.00 O ATOM 360 OE2 GLU A 24 -8.505 6.652 7.474 1.00 0.00 O ATOM 0 H GLU A 24 -2.614 7.118 7.297 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.905 4.570 8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.718 6.865 8.512 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.756 7.174 6.788 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.457 5.441 6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.366 5.002 8.167 1.00 0.00 H new ATOM 367 N LEU A 25 -3.100 3.482 5.928 1.00 0.00 N ATOM 368 CA LEU A 25 -2.782 2.752 4.702 1.00 0.00 C ATOM 369 C LEU A 25 -4.089 2.406 4.008 1.00 0.00 C ATOM 370 O LEU A 25 -4.754 1.427 4.363 1.00 0.00 O ATOM 371 CB LEU A 25 -1.995 1.450 4.935 1.00 0.00 C ATOM 372 CG LEU A 25 -0.668 1.526 5.702 1.00 0.00 C ATOM 373 CD1 LEU A 25 -0.118 0.106 5.906 1.00 0.00 C ATOM 374 CD2 LEU A 25 0.359 2.336 4.914 1.00 0.00 C ATOM 0 H LEU A 25 -2.819 2.984 6.773 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.144 3.399 4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.647 0.759 5.468 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.790 1.007 3.960 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.848 2.008 6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.825 0.156 6.451 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.836 -0.484 6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.048 -0.363 4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.294 2.380 5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.535 1.860 3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.018 3.347 4.757 1.00 0.00 H new ATOM 386 N THR A 26 -4.473 3.247 3.055 1.00 0.00 N ATOM 387 CA THR A 26 -5.756 3.150 2.405 1.00 0.00 C ATOM 388 C THR A 26 -5.577 2.232 1.199 1.00 0.00 C ATOM 389 O THR A 26 -5.243 2.672 0.100 1.00 0.00 O ATOM 390 CB THR A 26 -6.303 4.549 2.126 1.00 0.00 C ATOM 391 OG1 THR A 26 -6.346 5.270 3.351 1.00 0.00 O ATOM 392 CG2 THR A 26 -7.731 4.459 1.573 1.00 0.00 C ATOM 0 H THR A 26 -3.894 4.016 2.716 1.00 0.00 H new ATOM 0 HA THR A 26 -6.528 2.696 3.026 1.00 0.00 H new ATOM 0 HB THR A 26 -5.661 5.046 1.399 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.452 5.285 3.753 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.110 5.462 1.378 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.727 3.886 0.645 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.373 3.964 2.302 1.00 0.00 H new ATOM 400 N VAL A 27 -5.731 0.932 1.443 1.00 0.00 N ATOM 401 CA VAL A 27 -5.580 -0.104 0.428 1.00 0.00 C ATOM 402 C VAL A 27 -6.999 -0.568 0.126 1.00 0.00 C ATOM 403 O VAL A 27 -7.878 -0.570 0.992 1.00 0.00 O ATOM 404 CB VAL A 27 -4.625 -1.245 0.924 1.00 0.00 C ATOM 405 CG1 VAL A 27 -3.268 -0.686 1.370 1.00 0.00 C ATOM 406 CG2 VAL A 27 -5.233 -1.972 2.142 1.00 0.00 C ATOM 0 H VAL A 27 -5.968 0.565 2.365 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.103 0.256 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.495 -1.928 0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.631 -1.503 1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.791 -0.177 0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.416 0.020 2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.555 -2.760 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.383 -1.260 2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.191 -2.411 1.863 1.00 0.00 H new ATOM 416 N GLU A 28 -7.257 -0.914 -1.124 1.00 0.00 N ATOM 417 CA GLU A 28 -8.605 -1.146 -1.587 1.00 0.00 C ATOM 418 C GLU A 28 -8.583 -2.652 -1.843 1.00 0.00 C ATOM 419 O GLU A 28 -7.808 -3.155 -2.643 1.00 0.00 O ATOM 420 CB GLU A 28 -8.858 -0.127 -2.707 1.00 0.00 C ATOM 421 CG GLU A 28 -10.318 0.310 -2.814 1.00 0.00 C ATOM 422 CD GLU A 28 -10.818 0.521 -4.242 1.00 0.00 C ATOM 423 OE1 GLU A 28 -10.539 -0.373 -5.080 1.00 0.00 O ATOM 424 OE2 GLU A 28 -11.477 1.564 -4.476 1.00 0.00 O ATOM 0 H GLU A 28 -6.540 -1.040 -1.838 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.471 -0.968 -0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.236 0.751 -2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.545 -0.559 -3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.944 -0.441 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.447 1.238 -2.257 1.00 0.00 H new ATOM 431 N SER A 29 -9.182 -3.437 -0.950 1.00 0.00 N ATOM 432 CA SER A 29 -8.853 -4.844 -0.808 1.00 0.00 C ATOM 433 C SER A 29 -10.002 -5.593 -0.157 1.00 0.00 C ATOM 434 O SER A 29 -10.568 -5.054 0.781 1.00 0.00 O ATOM 435 CB SER A 29 -7.698 -4.842 0.192 1.00 0.00 C ATOM 436 OG SER A 29 -6.606 -4.037 -0.208 1.00 0.00 O ATOM 0 H SER A 29 -9.906 -3.112 -0.309 1.00 0.00 H new ATOM 0 HA SER A 29 -8.631 -5.309 -1.769 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.064 -4.491 1.157 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.351 -5.865 0.336 1.00 0.00 H new ATOM 0 HG SER A 29 -5.903 -4.077 0.474 1.00 0.00 H new ATOM 442 N SER A 30 -10.327 -6.829 -0.543 1.00 0.00 N ATOM 443 CA SER A 30 -11.351 -7.577 0.197 1.00 0.00 C ATOM 444 C SER A 30 -10.774 -7.881 1.581 1.00 0.00 C ATOM 445 O SER A 30 -9.568 -8.086 1.695 1.00 0.00 O ATOM 446 CB SER A 30 -11.682 -8.895 -0.513 1.00 0.00 C ATOM 447 OG SER A 30 -11.924 -8.699 -1.890 1.00 0.00 O ATOM 0 H SER A 30 -9.914 -7.321 -1.335 1.00 0.00 H new ATOM 0 HA SER A 30 -12.268 -6.991 0.264 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.856 -9.595 -0.384 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.559 -9.348 -0.050 1.00 0.00 H new ATOM 0 HG SER A 30 -11.078 -8.508 -2.347 1.00 0.00 H new ATOM 453 N ALA A 31 -11.599 -7.929 2.633 1.00 0.00 N ATOM 454 CA ALA A 31 -11.101 -7.858 4.007 1.00 0.00 C ATOM 455 C ALA A 31 -10.062 -8.924 4.372 1.00 0.00 C ATOM 456 O ALA A 31 -9.157 -8.627 5.153 1.00 0.00 O ATOM 457 CB ALA A 31 -12.277 -7.919 4.985 1.00 0.00 C ATOM 0 H ALA A 31 -12.612 -8.017 2.557 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.577 -6.905 4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.903 -7.866 6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.948 -7.080 4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.819 -8.854 4.845 1.00 0.00 H new ATOM 463 N GLU A 32 -10.142 -10.133 3.801 1.00 0.00 N ATOM 464 CA GLU A 32 -9.216 -11.204 4.134 1.00 0.00 C ATOM 465 C GLU A 32 -8.108 -11.415 3.099 1.00 0.00 C ATOM 466 O GLU A 32 -7.044 -11.959 3.410 1.00 0.00 O ATOM 467 CB GLU A 32 -9.968 -12.478 4.531 1.00 0.00 C ATOM 468 CG GLU A 32 -9.354 -12.972 5.851 1.00 0.00 C ATOM 469 CD GLU A 32 -10.013 -14.174 6.524 1.00 0.00 C ATOM 470 OE1 GLU A 32 -10.934 -14.775 5.934 1.00 0.00 O ATOM 471 OE2 GLU A 32 -9.561 -14.457 7.661 1.00 0.00 O ATOM 0 H GLU A 32 -10.843 -10.386 3.105 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.663 -10.885 5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.032 -12.275 4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.875 -13.238 3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.309 -13.221 5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.363 -12.143 6.558 1.00 0.00 H new ATOM 478 N ASP A 33 -8.303 -10.867 1.901 1.00 0.00 N ATOM 479 CA ASP A 33 -7.245 -10.619 0.942 1.00 0.00 C ATOM 480 C ASP A 33 -6.314 -9.549 1.551 1.00 0.00 C ATOM 481 O ASP A 33 -5.093 -9.699 1.571 1.00 0.00 O ATOM 482 CB ASP A 33 -7.912 -10.209 -0.390 1.00 0.00 C ATOM 483 CG ASP A 33 -7.175 -10.627 -1.667 1.00 0.00 C ATOM 484 OD1 ASP A 33 -6.214 -11.414 -1.581 1.00 0.00 O ATOM 485 OD2 ASP A 33 -7.639 -10.186 -2.748 1.00 0.00 O ATOM 0 H ASP A 33 -9.224 -10.579 1.569 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.627 -11.491 0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.915 -10.635 -0.417 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.025 -9.125 -0.398 1.00 0.00 H new ATOM 490 N LEU A 34 -6.907 -8.524 2.190 1.00 0.00 N ATOM 491 CA LEU A 34 -6.229 -7.495 2.969 1.00 0.00 C ATOM 492 C LEU A 34 -5.489 -8.108 4.141 1.00 0.00 C ATOM 493 O LEU A 34 -4.321 -7.833 4.359 1.00 0.00 O ATOM 494 CB LEU A 34 -7.234 -6.434 3.453 1.00 0.00 C ATOM 495 CG LEU A 34 -6.685 -5.400 4.464 1.00 0.00 C ATOM 496 CD1 LEU A 34 -7.479 -4.096 4.313 1.00 0.00 C ATOM 497 CD2 LEU A 34 -6.794 -5.826 5.939 1.00 0.00 C ATOM 0 H LEU A 34 -7.918 -8.393 2.171 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.497 -7.006 2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.615 -5.898 2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.082 -6.945 3.909 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.625 -5.293 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.103 -3.357 5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.366 -3.717 3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.533 -4.287 4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.385 -5.041 6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.841 -5.991 6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.233 -6.748 6.094 1.00 0.00 H new ATOM 509 N ARG A 35 -6.200 -8.915 4.916 1.00 0.00 N ATOM 510 CA ARG A 35 -5.694 -9.652 6.073 1.00 0.00 C ATOM 511 C ARG A 35 -4.465 -10.430 5.652 1.00 0.00 C ATOM 512 O ARG A 35 -3.453 -10.362 6.335 1.00 0.00 O ATOM 513 CB ARG A 35 -6.729 -10.619 6.660 1.00 0.00 C ATOM 514 CG ARG A 35 -6.279 -11.209 8.006 1.00 0.00 C ATOM 515 CD ARG A 35 -7.229 -12.294 8.524 1.00 0.00 C ATOM 516 NE ARG A 35 -6.721 -12.867 9.779 1.00 0.00 N ATOM 517 CZ ARG A 35 -7.138 -13.996 10.370 1.00 0.00 C ATOM 518 NH1 ARG A 35 -8.128 -14.738 9.871 1.00 0.00 N ATOM 519 NH2 ARG A 35 -6.539 -14.390 11.495 1.00 0.00 N ATOM 0 H ARG A 35 -7.192 -9.084 4.750 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.457 -8.926 6.851 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.676 -10.097 6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.908 -11.429 5.953 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.279 -11.629 7.898 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.211 -10.409 8.744 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.220 -11.871 8.686 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.336 -13.079 7.776 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.975 -12.353 10.248 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.596 -14.452 9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.417 -15.591 10.350 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.779 -13.835 11.889 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.841 -15.246 11.961 1.00 0.00 H new ATOM 533 N THR A 36 -4.541 -11.155 4.543 1.00 0.00 N ATOM 534 CA THR A 36 -3.409 -11.908 4.025 1.00 0.00 C ATOM 535 C THR A 36 -2.232 -10.950 3.780 1.00 0.00 C ATOM 536 O THR A 36 -1.149 -11.157 4.334 1.00 0.00 O ATOM 537 CB THR A 36 -3.844 -12.692 2.773 1.00 0.00 C ATOM 538 OG1 THR A 36 -4.975 -13.489 3.076 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.734 -13.618 2.269 1.00 0.00 C ATOM 0 H THR A 36 -5.387 -11.237 3.980 1.00 0.00 H new ATOM 0 HA THR A 36 -3.064 -12.648 4.747 1.00 0.00 H new ATOM 0 HB THR A 36 -4.076 -11.961 1.998 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.792 -12.986 2.878 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.080 -14.153 1.385 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.855 -13.027 2.014 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.476 -14.334 3.049 1.00 0.00 H new ATOM 547 N LEU A 37 -2.476 -9.845 3.059 1.00 0.00 N ATOM 548 CA LEU A 37 -1.525 -8.744 2.877 1.00 0.00 C ATOM 549 C LEU A 37 -0.960 -8.256 4.232 1.00 0.00 C ATOM 550 O LEU A 37 0.235 -8.011 4.371 1.00 0.00 O ATOM 551 CB LEU A 37 -2.188 -7.641 2.000 1.00 0.00 C ATOM 552 CG LEU A 37 -2.172 -6.200 2.554 1.00 0.00 C ATOM 553 CD1 LEU A 37 -0.789 -5.558 2.340 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.181 -5.281 1.857 1.00 0.00 C ATOM 0 H LEU A 37 -3.361 -9.691 2.576 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.643 -9.083 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.692 -7.636 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.226 -7.925 1.826 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.426 -6.292 3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.794 -4.542 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.031 -6.146 2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.561 -5.531 1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.123 -4.282 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.951 -5.229 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.188 -5.677 1.992 1.00 0.00 H new ATOM 566 N GLN A 38 -1.801 -8.149 5.259 1.00 0.00 N ATOM 567 CA GLN A 38 -1.448 -7.676 6.586 1.00 0.00 C ATOM 568 C GLN A 38 -0.575 -8.719 7.295 1.00 0.00 C ATOM 569 O GLN A 38 0.301 -8.335 8.065 1.00 0.00 O ATOM 570 CB GLN A 38 -2.751 -7.344 7.329 1.00 0.00 C ATOM 571 CG GLN A 38 -2.686 -7.136 8.848 1.00 0.00 C ATOM 572 CD GLN A 38 -4.072 -7.405 9.427 1.00 0.00 C ATOM 573 OE1 GLN A 38 -4.314 -8.459 10.009 1.00 0.00 O ATOM 574 NE2 GLN A 38 -5.020 -6.505 9.189 1.00 0.00 N ATOM 0 H GLN A 38 -2.786 -8.401 5.181 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.847 -6.767 6.549 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.165 -6.438 6.886 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.460 -8.148 7.133 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.952 -7.808 9.292 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.369 -6.119 9.079 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.790 -5.638 8.703 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.978 -6.681 9.492 1.00 0.00 H new ATOM 583 N GLN A 39 -0.755 -10.020 7.026 1.00 0.00 N ATOM 584 CA GLN A 39 0.127 -11.057 7.535 1.00 0.00 C ATOM 585 C GLN A 39 1.494 -10.958 6.853 1.00 0.00 C ATOM 586 O GLN A 39 2.506 -11.188 7.511 1.00 0.00 O ATOM 587 CB GLN A 39 -0.449 -12.472 7.396 1.00 0.00 C ATOM 588 CG GLN A 39 -1.881 -12.676 7.914 1.00 0.00 C ATOM 589 CD GLN A 39 -2.259 -11.877 9.167 1.00 0.00 C ATOM 590 OE1 GLN A 39 -1.912 -12.233 10.286 1.00 0.00 O ATOM 591 NE2 GLN A 39 -3.017 -10.805 8.978 1.00 0.00 N ATOM 0 H GLN A 39 -1.518 -10.373 6.449 1.00 0.00 H new ATOM 0 HA GLN A 39 0.235 -10.883 8.606 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.423 -12.750 6.342 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.208 -13.163 7.925 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.576 -12.414 7.116 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.023 -13.736 8.126 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.290 -10.533 8.033 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.327 -10.252 9.777 1.00 0.00 H new ATOM 600 N LEU A 40 1.549 -10.558 5.572 1.00 0.00 N ATOM 601 CA LEU A 40 2.821 -10.187 4.948 1.00 0.00 C ATOM 602 C LEU A 40 3.471 -9.043 5.728 1.00 0.00 C ATOM 603 O LEU A 40 4.638 -9.144 6.092 1.00 0.00 O ATOM 604 CB LEU A 40 2.689 -9.812 3.462 1.00 0.00 C ATOM 605 CG LEU A 40 1.832 -10.743 2.587 1.00 0.00 C ATOM 606 CD1 LEU A 40 1.731 -10.189 1.163 1.00 0.00 C ATOM 607 CD2 LEU A 40 2.346 -12.186 2.565 1.00 0.00 C ATOM 0 H LEU A 40 0.737 -10.485 4.959 1.00 0.00 H new ATOM 0 HA LEU A 40 3.456 -11.072 4.984 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.271 -8.807 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.690 -9.767 3.032 1.00 0.00 H new ATOM 0 HG LEU A 40 0.840 -10.773 3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.122 -10.858 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.271 -9.201 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.729 -10.113 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.700 -12.793 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.362 -12.204 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.343 -12.589 3.578 1.00 0.00 H new ATOM 619 N PHE A 41 2.729 -7.970 6.023 1.00 0.00 N ATOM 620 CA PHE A 41 3.241 -6.842 6.808 1.00 0.00 C ATOM 621 C PHE A 41 3.722 -7.290 8.194 1.00 0.00 C ATOM 622 O PHE A 41 4.783 -6.871 8.645 1.00 0.00 O ATOM 623 CB PHE A 41 2.189 -5.726 6.901 1.00 0.00 C ATOM 624 CG PHE A 41 2.221 -4.741 5.745 1.00 0.00 C ATOM 625 CD1 PHE A 41 2.150 -5.183 4.408 1.00 0.00 C ATOM 626 CD2 PHE A 41 2.369 -3.367 6.010 1.00 0.00 C ATOM 627 CE1 PHE A 41 2.292 -4.269 3.349 1.00 0.00 C ATOM 628 CE2 PHE A 41 2.486 -2.453 4.951 1.00 0.00 C ATOM 629 CZ PHE A 41 2.481 -2.906 3.621 1.00 0.00 C ATOM 0 H PHE A 41 1.760 -7.859 5.725 1.00 0.00 H new ATOM 0 HA PHE A 41 4.111 -6.438 6.290 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.199 -6.179 6.950 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.336 -5.180 7.833 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.986 -6.229 4.196 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.393 -3.015 7.031 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.256 -4.616 2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.580 -1.397 5.159 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.622 -2.207 2.810 1.00 0.00 H new ATOM 639 N LEU A 42 2.967 -8.170 8.853 1.00 0.00 N ATOM 640 CA LEU A 42 3.328 -8.782 10.125 1.00 0.00 C ATOM 641 C LEU A 42 4.621 -9.602 10.012 1.00 0.00 C ATOM 642 O LEU A 42 5.392 -9.639 10.970 1.00 0.00 O ATOM 643 CB LEU A 42 2.120 -9.616 10.584 1.00 0.00 C ATOM 644 CG LEU A 42 2.264 -10.396 11.904 1.00 0.00 C ATOM 645 CD1 LEU A 42 0.875 -10.544 12.545 1.00 0.00 C ATOM 646 CD2 LEU A 42 2.831 -11.809 11.689 1.00 0.00 C ATOM 0 H LEU A 42 2.062 -8.483 8.503 1.00 0.00 H new ATOM 0 HA LEU A 42 3.549 -8.023 10.875 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.264 -8.948 10.678 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.882 -10.329 9.795 1.00 0.00 H new ATOM 0 HG LEU A 42 2.952 -9.839 12.539 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.963 -11.095 13.481 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.459 -9.556 12.743 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.217 -11.086 11.866 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.913 -12.318 12.649 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.165 -12.373 11.035 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.817 -11.739 11.230 1.00 0.00 H new ATOM 658 N SER A 43 4.851 -10.269 8.875 1.00 0.00 N ATOM 659 CA SER A 43 5.973 -11.170 8.663 1.00 0.00 C ATOM 660 C SER A 43 7.239 -10.433 8.204 1.00 0.00 C ATOM 661 O SER A 43 8.300 -10.567 8.817 1.00 0.00 O ATOM 662 CB SER A 43 5.538 -12.220 7.629 1.00 0.00 C ATOM 663 OG SER A 43 6.476 -13.268 7.513 1.00 0.00 O ATOM 0 H SER A 43 4.242 -10.190 8.060 1.00 0.00 H new ATOM 0 HA SER A 43 6.236 -11.646 9.608 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.569 -12.630 7.914 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.408 -11.741 6.659 1.00 0.00 H new ATOM 0 HG SER A 43 6.162 -13.916 6.848 1.00 0.00 H new ATOM 669 N THR A 44 7.136 -9.680 7.106 1.00 0.00 N ATOM 670 CA THR A 44 8.230 -9.263 6.250 1.00 0.00 C ATOM 671 C THR A 44 8.137 -7.836 5.706 1.00 0.00 C ATOM 672 O THR A 44 9.143 -7.306 5.233 1.00 0.00 O ATOM 673 CB THR A 44 8.255 -10.229 5.045 1.00 0.00 C ATOM 674 OG1 THR A 44 6.935 -10.562 4.647 1.00 0.00 O ATOM 675 CG2 THR A 44 8.983 -11.517 5.403 1.00 0.00 C ATOM 0 H THR A 44 6.235 -9.330 6.780 1.00 0.00 H new ATOM 0 HA THR A 44 9.130 -9.285 6.864 1.00 0.00 H new ATOM 0 HB THR A 44 8.774 -9.724 4.231 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.968 -11.210 3.913 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.989 -12.183 4.540 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.009 -11.287 5.691 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.473 -12.004 6.234 1.00 0.00 H new ATOM 683 N LEU A 45 6.943 -7.239 5.715 1.00 0.00 N ATOM 684 CA LEU A 45 6.619 -6.104 4.841 1.00 0.00 C ATOM 685 C LEU A 45 6.316 -4.779 5.549 1.00 0.00 C ATOM 686 O LEU A 45 6.058 -4.733 6.751 1.00 0.00 O ATOM 687 CB LEU A 45 5.455 -6.535 3.926 1.00 0.00 C ATOM 688 CG LEU A 45 5.902 -6.688 2.479 1.00 0.00 C ATOM 689 CD1 LEU A 45 6.922 -7.815 2.321 1.00 0.00 C ATOM 690 CD2 LEU A 45 4.704 -6.946 1.562 1.00 0.00 C ATOM 0 H LEU A 45 6.176 -7.525 6.324 1.00 0.00 H new ATOM 0 HA LEU A 45 7.519 -5.873 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.044 -7.480 4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.655 -5.797 3.983 1.00 0.00 H new ATOM 0 HG LEU A 45 6.378 -5.751 2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.218 -7.894 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.799 -7.600 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.477 -8.756 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.049 -7.052 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.199 -7.861 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.009 -6.109 1.627 1.00 0.00 H new ATOM 702 N SER A 46 6.340 -3.666 4.801 1.00 0.00 N ATOM 703 CA SER A 46 5.914 -2.342 5.253 1.00 0.00 C ATOM 704 C SER A 46 5.588 -1.439 4.047 1.00 0.00 C ATOM 705 O SER A 46 5.794 -1.822 2.892 1.00 0.00 O ATOM 706 CB SER A 46 7.006 -1.741 6.148 1.00 0.00 C ATOM 707 OG SER A 46 7.043 -2.434 7.381 1.00 0.00 O ATOM 0 H SER A 46 6.668 -3.667 3.835 1.00 0.00 H new ATOM 0 HA SER A 46 4.999 -2.425 5.840 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.974 -1.808 5.652 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.808 -0.683 6.320 1.00 0.00 H new ATOM 0 HG SER A 46 6.371 -3.147 7.376 1.00 0.00 H new ATOM 713 N PHE A 47 5.070 -0.231 4.310 1.00 0.00 N ATOM 714 CA PHE A 47 4.692 0.758 3.307 1.00 0.00 C ATOM 715 C PHE A 47 5.540 2.010 3.510 1.00 0.00 C ATOM 716 O PHE A 47 5.981 2.327 4.620 1.00 0.00 O ATOM 717 CB PHE A 47 3.193 1.117 3.394 1.00 0.00 C ATOM 718 CG PHE A 47 2.412 0.983 2.094 1.00 0.00 C ATOM 719 CD1 PHE A 47 2.699 1.812 0.990 1.00 0.00 C ATOM 720 CD2 PHE A 47 1.358 0.052 1.997 1.00 0.00 C ATOM 721 CE1 PHE A 47 1.979 1.675 -0.208 1.00 0.00 C ATOM 722 CE2 PHE A 47 0.635 -0.084 0.801 1.00 0.00 C ATOM 723 CZ PHE A 47 0.953 0.721 -0.305 1.00 0.00 C ATOM 0 H PHE A 47 4.899 0.090 5.263 1.00 0.00 H new ATOM 0 HA PHE A 47 4.868 0.335 2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.727 0.479 4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.103 2.144 3.748 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.477 2.557 1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.105 -0.561 2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.214 2.303 -1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.165 -0.807 0.732 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.408 0.606 -1.230 1.00 0.00 H new ATOM 733 N VAL A 48 5.727 2.722 2.404 1.00 0.00 N ATOM 734 CA VAL A 48 6.599 3.851 2.222 1.00 0.00 C ATOM 735 C VAL A 48 5.785 4.886 1.430 1.00 0.00 C ATOM 736 O VAL A 48 5.533 4.722 0.238 1.00 0.00 O ATOM 737 CB VAL A 48 7.912 3.295 1.616 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.847 4.247 0.885 1.00 0.00 C ATOM 739 CG2 VAL A 48 8.752 2.712 2.756 1.00 0.00 C ATOM 0 H VAL A 48 5.224 2.495 1.546 1.00 0.00 H new ATOM 0 HA VAL A 48 6.928 4.388 3.112 1.00 0.00 H new ATOM 0 HB VAL A 48 7.548 2.599 0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.716 3.697 0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.323 4.694 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.172 5.033 1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.684 2.313 2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.975 3.495 3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.196 1.912 3.245 1.00 0.00 H new ATOM 749 N CYS A 49 5.249 5.885 2.148 1.00 0.00 N ATOM 750 CA CYS A 49 4.286 6.873 1.643 1.00 0.00 C ATOM 751 C CYS A 49 4.855 7.663 0.452 1.00 0.00 C ATOM 752 O CYS A 49 6.071 7.814 0.359 1.00 0.00 O ATOM 753 CB CYS A 49 3.903 7.818 2.796 1.00 0.00 C ATOM 754 SG CYS A 49 5.274 8.536 3.749 1.00 0.00 S ATOM 0 H CYS A 49 5.483 6.031 3.130 1.00 0.00 H new ATOM 0 HA CYS A 49 3.399 6.353 1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.310 8.635 2.384 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.259 7.272 3.485 1.00 0.00 H new ATOM 759 N PRO A 50 4.016 8.250 -0.429 1.00 0.00 N ATOM 760 CA PRO A 50 4.488 8.895 -1.659 1.00 0.00 C ATOM 761 C PRO A 50 5.496 10.037 -1.431 1.00 0.00 C ATOM 762 O PRO A 50 6.351 10.281 -2.290 1.00 0.00 O ATOM 763 CB PRO A 50 3.233 9.357 -2.410 1.00 0.00 C ATOM 764 CG PRO A 50 2.128 9.337 -1.356 1.00 0.00 C ATOM 765 CD PRO A 50 2.560 8.212 -0.420 1.00 0.00 C ATOM 0 HA PRO A 50 5.063 8.181 -2.248 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.365 10.355 -2.828 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.001 8.692 -3.242 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.053 10.290 -0.833 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.152 9.140 -1.799 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.168 8.363 0.586 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.189 7.247 -0.765 1.00 0.00 H new ATOM 773 N TRP A 51 5.436 10.698 -0.268 1.00 0.00 N ATOM 774 CA TRP A 51 6.393 11.708 0.151 1.00 0.00 C ATOM 775 C TRP A 51 7.802 11.112 0.213 1.00 0.00 C ATOM 776 O TRP A 51 8.645 11.487 -0.602 1.00 0.00 O ATOM 777 CB TRP A 51 5.970 12.334 1.488 1.00 0.00 C ATOM 778 CG TRP A 51 7.027 13.195 2.110 1.00 0.00 C ATOM 779 CD1 TRP A 51 7.810 14.068 1.439 1.00 0.00 C ATOM 780 CD2 TRP A 51 7.517 13.200 3.487 1.00 0.00 C ATOM 781 NE1 TRP A 51 8.774 14.573 2.281 1.00 0.00 N ATOM 782 CE2 TRP A 51 8.635 14.085 3.563 1.00 0.00 C ATOM 783 CE3 TRP A 51 7.152 12.524 4.672 1.00 0.00 C ATOM 784 CZ2 TRP A 51 9.355 14.285 4.750 1.00 0.00 C ATOM 785 CZ3 TRP A 51 7.860 12.727 5.873 1.00 0.00 C ATOM 786 CH2 TRP A 51 8.959 13.603 5.913 1.00 0.00 C ATOM 0 H TRP A 51 4.699 10.535 0.418 1.00 0.00 H new ATOM 0 HA TRP A 51 6.409 12.510 -0.587 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.072 12.932 1.331 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.706 11.538 2.184 1.00 0.00 H new ATOM 0 HD1 TRP A 51 7.696 14.330 0.398 1.00 0.00 H new ATOM 0 HE1 TRP A 51 9.501 15.227 1.992 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.316 11.840 4.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.202 14.954 4.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.556 12.206 6.769 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.498 13.752 6.837 1.00 0.00 H new ATOM 797 N CYS A 52 8.071 10.175 1.134 1.00 0.00 N ATOM 798 CA CYS A 52 9.378 9.526 1.171 1.00 0.00 C ATOM 799 C CYS A 52 9.626 8.702 -0.074 1.00 0.00 C ATOM 800 O CYS A 52 10.772 8.553 -0.485 1.00 0.00 O ATOM 801 CB CYS A 52 9.543 8.611 2.370 1.00 0.00 C ATOM 802 SG CYS A 52 8.288 7.340 2.594 1.00 0.00 S ATOM 0 H CYS A 52 7.413 9.859 1.846 1.00 0.00 H new ATOM 0 HA CYS A 52 10.099 10.340 1.238 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.514 8.121 2.294 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.567 9.228 3.268 1.00 0.00 H new ATOM 807 N ALA A 53 8.582 8.187 -0.725 1.00 0.00 N ATOM 808 CA ALA A 53 8.819 7.449 -1.940 1.00 0.00 C ATOM 809 C ALA A 53 9.494 8.351 -2.982 1.00 0.00 C ATOM 810 O ALA A 53 10.358 7.881 -3.722 1.00 0.00 O ATOM 811 CB ALA A 53 7.530 6.862 -2.501 1.00 0.00 C ATOM 0 H ALA A 53 7.607 8.268 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 53 9.483 6.618 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.749 6.313 -3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.089 6.186 -1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.828 7.667 -2.719 1.00 0.00 H new ATOM 817 N THR A 54 9.149 9.643 -2.974 1.00 0.00 N ATOM 818 CA THR A 54 9.776 10.693 -3.761 1.00 0.00 C ATOM 819 C THR A 54 11.116 11.155 -3.143 1.00 0.00 C ATOM 820 O THR A 54 12.083 11.337 -3.875 1.00 0.00 O ATOM 821 CB THR A 54 8.766 11.855 -3.896 1.00 0.00 C ATOM 822 OG1 THR A 54 7.503 11.378 -4.323 1.00 0.00 O ATOM 823 CG2 THR A 54 9.225 12.917 -4.900 1.00 0.00 C ATOM 0 H THR A 54 8.390 9.994 -2.390 1.00 0.00 H new ATOM 0 HA THR A 54 10.029 10.312 -4.750 1.00 0.00 H new ATOM 0 HB THR A 54 8.696 12.305 -2.906 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.978 11.099 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.480 13.710 -4.957 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.177 13.336 -4.576 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.345 12.461 -5.883 1.00 0.00 H new ATOM 831 N ASN A 55 11.176 11.412 -1.824 1.00 0.00 N ATOM 832 CA ASN A 55 12.289 12.133 -1.161 1.00 0.00 C ATOM 833 C ASN A 55 13.400 11.231 -0.613 1.00 0.00 C ATOM 834 O ASN A 55 14.508 11.708 -0.380 1.00 0.00 O ATOM 835 CB ASN A 55 11.751 12.948 0.039 1.00 0.00 C ATOM 836 CG ASN A 55 10.936 14.182 -0.325 1.00 0.00 C ATOM 837 OD1 ASN A 55 10.813 15.120 0.457 1.00 0.00 O ATOM 838 ND2 ASN A 55 10.334 14.193 -1.502 1.00 0.00 N ATOM 0 H ASN A 55 10.444 11.122 -1.175 1.00 0.00 H new ATOM 0 HA ASN A 55 12.716 12.759 -1.945 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.133 12.293 0.654 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.596 13.259 0.654 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.757 14.989 -1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.447 13.405 -2.140 1.00 0.00 H new ATOM 845 N GLN A 56 13.081 9.952 -0.427 1.00 0.00 N ATOM 846 CA GLN A 56 13.746 8.984 0.453 1.00 0.00 C ATOM 847 C GLN A 56 13.676 9.524 1.886 1.00 0.00 C ATOM 848 O GLN A 56 12.520 9.758 2.308 1.00 0.00 O ATOM 849 CB GLN A 56 15.138 8.568 -0.079 1.00 0.00 C ATOM 850 CG GLN A 56 15.831 7.398 0.660 1.00 0.00 C ATOM 851 CD GLN A 56 15.289 5.995 0.355 1.00 0.00 C ATOM 852 OE1 GLN A 56 14.087 5.778 0.204 1.00 0.00 O ATOM 853 NE2 GLN A 56 16.162 4.999 0.254 1.00 0.00 N ATOM 0 H GLN A 56 12.294 9.531 -0.922 1.00 0.00 H new ATOM 0 HA GLN A 56 13.228 8.025 0.464 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.036 8.297 -1.130 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.795 9.437 -0.036 1.00 0.00 H new ATOM 0 HG2 GLN A 56 16.893 7.417 0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.749 7.572 1.733 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.158 5.179 0.379 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.836 4.054 0.051 1.00 0.00 H new TER 862 GLN A 56 ATOM 863 N GLY B 1 26.995 9.666 -0.434 1.00 0.00 N ATOM 864 CA GLY B 1 28.277 9.021 -0.758 1.00 0.00 C ATOM 865 C GLY B 1 27.997 7.545 -0.921 1.00 0.00 C ATOM 866 O GLY B 1 27.389 7.157 -1.914 1.00 0.00 O ATOM 0 H1 GLY B 1 27.167 10.503 0.159 1.00 0.00 H new ATOM 0 H2 GLY B 1 26.521 9.956 -1.313 1.00 0.00 H new ATOM 0 H3 GLY B 1 26.389 8.996 0.081 1.00 0.00 H new ATOM 0 HA2 GLY B 1 28.698 9.437 -1.673 1.00 0.00 H new ATOM 0 HA3 GLY B 1 29.006 9.191 0.035 1.00 0.00 H new ATOM 870 N SER B 2 28.276 6.764 0.125 1.00 0.00 N ATOM 871 CA SER B 2 27.383 5.680 0.499 1.00 0.00 C ATOM 872 C SER B 2 25.976 6.253 0.762 1.00 0.00 C ATOM 873 O SER B 2 25.803 7.467 0.938 1.00 0.00 O ATOM 874 CB SER B 2 27.965 4.989 1.742 1.00 0.00 C ATOM 875 OG SER B 2 28.463 5.950 2.660 1.00 0.00 O ATOM 0 H SER B 2 29.101 6.864 0.716 1.00 0.00 H new ATOM 0 HA SER B 2 27.294 4.942 -0.299 1.00 0.00 H new ATOM 0 HB2 SER B 2 27.196 4.384 2.222 1.00 0.00 H new ATOM 0 HB3 SER B 2 28.766 4.311 1.447 1.00 0.00 H new ATOM 0 HG SER B 2 28.828 5.493 3.446 1.00 0.00 H new ATOM 881 N HIS B 3 24.972 5.378 0.771 1.00 0.00 N ATOM 882 CA HIS B 3 23.573 5.668 1.051 1.00 0.00 C ATOM 883 C HIS B 3 22.923 4.348 1.476 1.00 0.00 C ATOM 884 O HIS B 3 23.540 3.290 1.319 1.00 0.00 O ATOM 885 CB HIS B 3 22.899 6.247 -0.207 1.00 0.00 C ATOM 886 CG HIS B 3 23.000 5.362 -1.428 1.00 0.00 C ATOM 887 ND1 HIS B 3 22.124 4.359 -1.777 1.00 0.00 N ATOM 888 CD2 HIS B 3 23.994 5.392 -2.372 1.00 0.00 C ATOM 889 CE1 HIS B 3 22.587 3.793 -2.905 1.00 0.00 C ATOM 890 NE2 HIS B 3 23.721 4.390 -3.306 1.00 0.00 N ATOM 0 H HIS B 3 25.126 4.390 0.571 1.00 0.00 H new ATOM 0 HA HIS B 3 23.466 6.409 1.843 1.00 0.00 H new ATOM 0 HB2 HIS B 3 21.846 6.429 0.010 1.00 0.00 H new ATOM 0 HB3 HIS B 3 23.349 7.213 -0.434 1.00 0.00 H new ATOM 0 HD1 HIS B 3 21.278 4.094 -1.272 1.00 0.00 H new ATOM 0 HD2 HIS B 3 24.836 6.068 -2.390 1.00 0.00 H new ATOM 0 HE1 HIS B 3 22.112 2.970 -3.419 1.00 0.00 H new ATOM 898 N MET B 4 21.685 4.386 1.984 1.00 0.00 N ATOM 899 CA MET B 4 20.915 3.157 2.144 1.00 0.00 C ATOM 900 C MET B 4 20.435 2.702 0.765 1.00 0.00 C ATOM 901 O MET B 4 20.103 3.535 -0.085 1.00 0.00 O ATOM 902 CB MET B 4 19.738 3.346 3.124 1.00 0.00 C ATOM 903 CG MET B 4 18.437 3.846 2.475 1.00 0.00 C ATOM 904 SD MET B 4 17.164 4.448 3.625 1.00 0.00 S ATOM 905 CE MET B 4 16.677 2.899 4.432 1.00 0.00 C ATOM 0 H MET B 4 21.208 5.236 2.284 1.00 0.00 H new ATOM 0 HA MET B 4 21.550 2.385 2.579 1.00 0.00 H new ATOM 0 HB2 MET B 4 19.539 2.396 3.620 1.00 0.00 H new ATOM 0 HB3 MET B 4 20.037 4.053 3.898 1.00 0.00 H new ATOM 0 HG2 MET B 4 18.684 4.650 1.782 1.00 0.00 H new ATOM 0 HG3 MET B 4 18.012 3.035 1.884 1.00 0.00 H new ATOM 0 HE1 MET B 4 15.664 2.634 4.129 1.00 0.00 H new ATOM 0 HE2 MET B 4 17.363 2.105 4.139 1.00 0.00 H new ATOM 0 HE3 MET B 4 16.710 3.026 5.514 1.00 0.00 H new ATOM 915 N ALA B 5 20.374 1.391 0.558 1.00 0.00 N ATOM 916 CA ALA B 5 19.561 0.761 -0.461 1.00 0.00 C ATOM 917 C ALA B 5 19.396 -0.690 -0.046 1.00 0.00 C ATOM 918 O ALA B 5 20.241 -1.242 0.664 1.00 0.00 O ATOM 919 CB ALA B 5 20.193 0.825 -1.844 1.00 0.00 C ATOM 0 H ALA B 5 20.907 0.723 1.114 1.00 0.00 H new ATOM 0 HA ALA B 5 18.609 1.286 -0.536 1.00 0.00 H new ATOM 0 HB1 ALA B 5 19.538 0.337 -2.566 1.00 0.00 H new ATOM 0 HB2 ALA B 5 20.337 1.867 -2.131 1.00 0.00 H new ATOM 0 HB3 ALA B 5 21.157 0.317 -1.827 1.00 0.00 H new ATOM 925 N GLU B 6 18.293 -1.284 -0.479 1.00 0.00 N ATOM 926 CA GLU B 6 17.779 -2.490 0.139 1.00 0.00 C ATOM 927 C GLU B 6 16.926 -3.308 -0.845 1.00 0.00 C ATOM 928 O GLU B 6 16.317 -2.735 -1.750 1.00 0.00 O ATOM 929 CB GLU B 6 16.987 -2.057 1.385 1.00 0.00 C ATOM 930 CG GLU B 6 15.815 -1.092 1.132 1.00 0.00 C ATOM 931 CD GLU B 6 16.195 0.314 0.647 1.00 0.00 C ATOM 932 OE1 GLU B 6 16.554 1.161 1.490 1.00 0.00 O ATOM 933 OE2 GLU B 6 16.189 0.517 -0.589 1.00 0.00 O ATOM 0 H GLU B 6 17.736 -0.944 -1.263 1.00 0.00 H new ATOM 0 HA GLU B 6 18.594 -3.153 0.431 1.00 0.00 H new ATOM 0 HB2 GLU B 6 16.598 -2.950 1.874 1.00 0.00 H new ATOM 0 HB3 GLU B 6 17.677 -1.585 2.085 1.00 0.00 H new ATOM 0 HG2 GLU B 6 15.152 -1.543 0.394 1.00 0.00 H new ATOM 0 HG3 GLU B 6 15.244 -0.995 2.056 1.00 0.00 H new ATOM 940 N PRO B 7 16.812 -4.639 -0.664 1.00 0.00 N ATOM 941 CA PRO B 7 16.026 -5.528 -1.522 1.00 0.00 C ATOM 942 C PRO B 7 14.546 -5.469 -1.110 1.00 0.00 C ATOM 943 O PRO B 7 13.880 -6.495 -0.959 1.00 0.00 O ATOM 944 CB PRO B 7 16.676 -6.900 -1.311 1.00 0.00 C ATOM 945 CG PRO B 7 17.052 -6.876 0.171 1.00 0.00 C ATOM 946 CD PRO B 7 17.354 -5.401 0.455 1.00 0.00 C ATOM 0 HA PRO B 7 16.028 -5.262 -2.579 1.00 0.00 H new ATOM 0 HB2 PRO B 7 15.987 -7.713 -1.540 1.00 0.00 H new ATOM 0 HB3 PRO B 7 17.551 -7.035 -1.947 1.00 0.00 H new ATOM 0 HG2 PRO B 7 16.237 -7.244 0.795 1.00 0.00 H new ATOM 0 HG3 PRO B 7 17.918 -7.506 0.373 1.00 0.00 H new ATOM 0 HD2 PRO B 7 16.898 -5.087 1.394 1.00 0.00 H new ATOM 0 HD3 PRO B 7 18.427 -5.237 0.551 1.00 0.00 H new ATOM 954 N GLN B 8 14.061 -4.249 -0.869 1.00 0.00 N ATOM 955 CA GLN B 8 12.883 -3.957 -0.083 1.00 0.00 C ATOM 956 C GLN B 8 12.100 -2.842 -0.777 1.00 0.00 C ATOM 957 O GLN B 8 10.982 -3.074 -1.214 1.00 0.00 O ATOM 958 CB GLN B 8 13.333 -3.614 1.359 1.00 0.00 C ATOM 959 CG GLN B 8 12.672 -4.478 2.438 1.00 0.00 C ATOM 960 CD GLN B 8 13.114 -5.939 2.359 1.00 0.00 C ATOM 961 OE1 GLN B 8 14.297 -6.254 2.425 1.00 0.00 O ATOM 962 NE2 GLN B 8 12.157 -6.844 2.223 1.00 0.00 N ATOM 0 H GLN B 8 14.506 -3.408 -1.237 1.00 0.00 H new ATOM 0 HA GLN B 8 12.208 -4.809 -0.007 1.00 0.00 H new ATOM 0 HB2 GLN B 8 14.415 -3.728 1.428 1.00 0.00 H new ATOM 0 HB3 GLN B 8 13.110 -2.566 1.559 1.00 0.00 H new ATOM 0 HG2 GLN B 8 12.918 -4.079 3.422 1.00 0.00 H new ATOM 0 HG3 GLN B 8 11.589 -4.422 2.333 1.00 0.00 H new ATOM 0 HE21 GLN B 8 11.181 -6.551 2.171 1.00 0.00 H new ATOM 0 HE22 GLN B 8 12.395 -7.834 2.170 1.00 0.00 H new ATOM 971 N ARG B 9 12.649 -1.627 -0.865 1.00 0.00 N ATOM 972 CA ARG B 9 11.990 -0.432 -1.383 1.00 0.00 C ATOM 973 C ARG B 9 11.571 -0.566 -2.844 1.00 0.00 C ATOM 974 O ARG B 9 12.298 -0.164 -3.753 1.00 0.00 O ATOM 975 CB ARG B 9 12.921 0.757 -1.113 1.00 0.00 C ATOM 976 CG ARG B 9 12.236 2.118 -1.220 1.00 0.00 C ATOM 977 CD ARG B 9 12.836 2.995 -2.325 1.00 0.00 C ATOM 978 NE ARG B 9 12.879 4.399 -1.895 1.00 0.00 N ATOM 979 CZ ARG B 9 12.202 5.455 -2.353 1.00 0.00 C ATOM 980 NH1 ARG B 9 11.364 5.374 -3.382 1.00 0.00 N ATOM 981 NH2 ARG B 9 12.378 6.611 -1.731 1.00 0.00 N ATOM 0 H ARG B 9 13.606 -1.445 -0.563 1.00 0.00 H new ATOM 0 HA ARG B 9 11.043 -0.273 -0.867 1.00 0.00 H new ATOM 0 HB2 ARG B 9 13.346 0.653 -0.115 1.00 0.00 H new ATOM 0 HB3 ARG B 9 13.751 0.723 -1.818 1.00 0.00 H new ATOM 0 HG2 ARG B 9 11.174 1.972 -1.414 1.00 0.00 H new ATOM 0 HG3 ARG B 9 12.317 2.637 -0.265 1.00 0.00 H new ATOM 0 HD2 ARG B 9 13.842 2.651 -2.566 1.00 0.00 H new ATOM 0 HD3 ARG B 9 12.241 2.904 -3.234 1.00 0.00 H new ATOM 0 HE ARG B 9 13.524 4.597 -1.130 1.00 0.00 H new ATOM 0 HH11 ARG B 9 11.219 4.481 -3.853 1.00 0.00 H new ATOM 0 HH12 ARG B 9 10.866 6.205 -3.701 1.00 0.00 H new ATOM 0 HH21 ARG B 9 13.012 6.670 -0.934 1.00 0.00 H new ATOM 0 HH22 ARG B 9 11.880 7.442 -2.049 1.00 0.00 H new ATOM 995 N HIS B 10 10.373 -1.109 -3.063 1.00 0.00 N ATOM 996 CA HIS B 10 9.892 -1.520 -4.373 1.00 0.00 C ATOM 997 C HIS B 10 8.586 -0.805 -4.702 1.00 0.00 C ATOM 998 O HIS B 10 7.976 -0.171 -3.844 1.00 0.00 O ATOM 999 CB HIS B 10 9.744 -3.041 -4.423 1.00 0.00 C ATOM 1000 CG HIS B 10 11.010 -3.840 -4.205 1.00 0.00 C ATOM 1001 ND1 HIS B 10 11.083 -5.096 -3.654 1.00 0.00 N ATOM 1002 CD2 HIS B 10 12.295 -3.436 -4.436 1.00 0.00 C ATOM 1003 CE1 HIS B 10 12.376 -5.441 -3.579 1.00 0.00 C ATOM 1004 NE2 HIS B 10 13.159 -4.465 -4.058 1.00 0.00 N ATOM 0 H HIS B 10 9.699 -1.277 -2.316 1.00 0.00 H new ATOM 0 HA HIS B 10 10.619 -1.236 -5.134 1.00 0.00 H new ATOM 0 HB2 HIS B 10 9.016 -3.340 -3.669 1.00 0.00 H new ATOM 0 HB3 HIS B 10 9.329 -3.314 -5.393 1.00 0.00 H new ATOM 0 HD1 HIS B 10 10.292 -5.666 -3.354 1.00 0.00 H new ATOM 0 HD2 HIS B 10 12.592 -2.481 -4.843 1.00 0.00 H new ATOM 0 HE1 HIS B 10 12.738 -6.379 -3.185 1.00 0.00 H new ATOM 1012 N LYS B 11 8.183 -0.860 -5.976 1.00 0.00 N ATOM 1013 CA LYS B 11 7.253 0.099 -6.553 1.00 0.00 C ATOM 1014 C LYS B 11 6.315 -0.605 -7.527 1.00 0.00 C ATOM 1015 O LYS B 11 6.681 -0.838 -8.678 1.00 0.00 O ATOM 1016 CB LYS B 11 8.056 1.219 -7.238 1.00 0.00 C ATOM 1017 CG LYS B 11 9.006 1.964 -6.276 1.00 0.00 C ATOM 1018 CD LYS B 11 9.660 3.201 -6.897 1.00 0.00 C ATOM 1019 CE LYS B 11 10.575 2.847 -8.078 1.00 0.00 C ATOM 1020 NZ LYS B 11 10.828 4.022 -8.934 1.00 0.00 N ATOM 0 H LYS B 11 8.497 -1.575 -6.632 1.00 0.00 H new ATOM 0 HA LYS B 11 6.635 0.545 -5.774 1.00 0.00 H new ATOM 0 HB2 LYS B 11 8.638 0.792 -8.055 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.363 1.935 -7.681 1.00 0.00 H new ATOM 0 HG2 LYS B 11 8.449 2.265 -5.389 1.00 0.00 H new ATOM 0 HG3 LYS B 11 9.786 1.278 -5.945 1.00 0.00 H new ATOM 0 HD2 LYS B 11 8.884 3.888 -7.235 1.00 0.00 H new ATOM 0 HD3 LYS B 11 10.239 3.724 -6.136 1.00 0.00 H new ATOM 0 HE2 LYS B 11 11.521 2.458 -7.703 1.00 0.00 H new ATOM 0 HE3 LYS B 11 10.117 2.055 -8.671 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 11.553 3.786 -9.641 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 9.949 4.295 -9.417 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 11.161 4.814 -8.347 1.00 0.00 H new ATOM 1034 N ILE B 12 5.120 -0.971 -7.064 1.00 0.00 N ATOM 1035 CA ILE B 12 4.092 -1.559 -7.919 1.00 0.00 C ATOM 1036 C ILE B 12 3.358 -0.392 -8.586 1.00 0.00 C ATOM 1037 O ILE B 12 2.564 0.285 -7.944 1.00 0.00 O ATOM 1038 CB ILE B 12 3.125 -2.467 -7.121 1.00 0.00 C ATOM 1039 CG1 ILE B 12 3.854 -3.507 -6.243 1.00 0.00 C ATOM 1040 CG2 ILE B 12 2.150 -3.142 -8.107 1.00 0.00 C ATOM 1041 CD1 ILE B 12 2.911 -4.178 -5.238 1.00 0.00 C ATOM 0 H ILE B 12 4.839 -0.868 -6.089 1.00 0.00 H new ATOM 0 HA ILE B 12 4.543 -2.210 -8.668 1.00 0.00 H new ATOM 0 HB ILE B 12 2.571 -1.841 -6.422 1.00 0.00 H new ATOM 0 HG12 ILE B 12 4.303 -4.268 -6.881 1.00 0.00 H new ATOM 0 HG13 ILE B 12 4.668 -3.020 -5.706 1.00 0.00 H new ATOM 0 HG21 ILE B 12 1.463 -3.785 -7.557 1.00 0.00 H new ATOM 0 HG22 ILE B 12 1.584 -2.378 -8.640 1.00 0.00 H new ATOM 0 HG23 ILE B 12 2.713 -3.741 -8.823 1.00 0.00 H new ATOM 0 HD11 ILE B 12 3.468 -4.901 -4.643 1.00 0.00 H new ATOM 0 HD12 ILE B 12 2.482 -3.422 -4.581 1.00 0.00 H new ATOM 0 HD13 ILE B 12 2.111 -4.689 -5.774 1.00 0.00 H new ATOM 1053 N LEU B 13 3.619 -0.102 -9.858 1.00 0.00 N ATOM 1054 CA LEU B 13 2.850 0.891 -10.582 1.00 0.00 C ATOM 1055 C LEU B 13 1.425 0.374 -10.751 1.00 0.00 C ATOM 1056 O LEU B 13 1.197 -0.645 -11.400 1.00 0.00 O ATOM 1057 CB LEU B 13 3.513 1.273 -11.908 1.00 0.00 C ATOM 1058 CG LEU B 13 2.853 2.541 -12.497 1.00 0.00 C ATOM 1059 CD1 LEU B 13 3.916 3.379 -13.205 1.00 0.00 C ATOM 1060 CD2 LEU B 13 1.711 2.233 -13.476 1.00 0.00 C ATOM 0 H LEU B 13 4.359 -0.544 -10.404 1.00 0.00 H new ATOM 0 HA LEU B 13 2.815 1.818 -10.010 1.00 0.00 H new ATOM 0 HB2 LEU B 13 4.577 1.449 -11.752 1.00 0.00 H new ATOM 0 HB3 LEU B 13 3.426 0.448 -12.616 1.00 0.00 H new ATOM 0 HG LEU B 13 2.414 3.088 -11.663 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.455 4.274 -13.622 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.687 3.667 -12.491 1.00 0.00 H new ATOM 0 HD13 LEU B 13 4.365 2.794 -14.008 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.292 3.167 -13.852 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.095 1.646 -14.310 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.934 1.668 -12.962 1.00 0.00 H new ATOM 1072 N CYS B 14 0.485 1.094 -10.147 1.00 0.00 N ATOM 1073 CA CYS B 14 -0.947 0.867 -10.231 1.00 0.00 C ATOM 1074 C CYS B 14 -1.629 2.162 -10.706 1.00 0.00 C ATOM 1075 O CYS B 14 -0.973 3.159 -11.020 1.00 0.00 O ATOM 1076 CB CYS B 14 -1.418 0.408 -8.839 1.00 0.00 C ATOM 1077 SG CYS B 14 -3.091 -0.305 -8.826 1.00 0.00 S ATOM 0 H CYS B 14 0.717 1.892 -9.556 1.00 0.00 H new ATOM 0 HA CYS B 14 -1.209 0.094 -10.953 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -0.716 -0.331 -8.454 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -1.391 1.259 -8.158 1.00 0.00 H new ATOM 0 HG CYS B 14 -3.970 0.652 -8.779 1.00 0.00 H new ATOM 1083 N VAL B 15 -2.960 2.165 -10.725 1.00 0.00 N ATOM 1084 CA VAL B 15 -3.751 3.387 -10.708 1.00 0.00 C ATOM 1085 C VAL B 15 -4.522 3.441 -9.388 1.00 0.00 C ATOM 1086 O VAL B 15 -4.696 2.419 -8.717 1.00 0.00 O ATOM 1087 CB VAL B 15 -4.677 3.503 -11.939 1.00 0.00 C ATOM 1088 CG1 VAL B 15 -3.858 3.653 -13.228 1.00 0.00 C ATOM 1089 CG2 VAL B 15 -5.654 2.325 -12.074 1.00 0.00 C ATOM 0 H VAL B 15 -3.521 1.313 -10.753 1.00 0.00 H new ATOM 0 HA VAL B 15 -3.088 4.250 -10.772 1.00 0.00 H new ATOM 0 HB VAL B 15 -5.276 4.400 -11.781 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -4.533 3.733 -14.080 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -3.244 4.551 -13.166 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -3.215 2.782 -13.354 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -6.276 2.467 -12.958 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -5.092 1.396 -12.171 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -6.288 2.275 -11.189 1.00 0.00 H new ATOM 1099 N CYS B 16 -5.005 4.631 -9.030 1.00 0.00 N ATOM 1100 CA CYS B 16 -6.060 4.785 -8.050 1.00 0.00 C ATOM 1101 C CYS B 16 -7.317 4.153 -8.631 1.00 0.00 C ATOM 1102 O CYS B 16 -7.748 4.554 -9.711 1.00 0.00 O ATOM 1103 CB CYS B 16 -6.344 6.266 -7.783 1.00 0.00 C ATOM 1104 SG CYS B 16 -7.525 6.325 -6.417 1.00 0.00 S ATOM 0 H CYS B 16 -4.669 5.513 -9.417 1.00 0.00 H new ATOM 0 HA CYS B 16 -5.761 4.313 -7.114 1.00 0.00 H new ATOM 0 HB2 CYS B 16 -5.427 6.796 -7.526 1.00 0.00 H new ATOM 0 HB3 CYS B 16 -6.753 6.748 -8.671 1.00 0.00 H new ATOM 0 HG CYS B 16 -7.172 7.253 -5.578 1.00 0.00 H new ATOM 1109 N CYS B 17 -7.938 3.228 -7.901 1.00 0.00 N ATOM 1110 CA CYS B 17 -9.131 2.532 -8.371 1.00 0.00 C ATOM 1111 C CYS B 17 -10.291 3.484 -8.703 1.00 0.00 C ATOM 1112 O CYS B 17 -11.114 3.166 -9.558 1.00 0.00 O ATOM 1113 CB CYS B 17 -9.562 1.543 -7.292 1.00 0.00 C ATOM 1114 SG CYS B 17 -10.562 0.218 -8.014 1.00 0.00 S ATOM 0 H CYS B 17 -7.629 2.942 -6.972 1.00 0.00 H new ATOM 0 HA CYS B 17 -8.880 2.020 -9.300 1.00 0.00 H new ATOM 0 HB2 CYS B 17 -8.683 1.120 -6.805 1.00 0.00 H new ATOM 0 HB3 CYS B 17 -10.134 2.061 -6.522 1.00 0.00 H new ATOM 0 HG CYS B 17 -10.877 -0.640 -7.090 1.00 0.00 H new ATOM 1120 N LYS B 18 -10.365 4.648 -8.038 1.00 0.00 N ATOM 1121 CA LYS B 18 -11.514 5.540 -8.100 1.00 0.00 C ATOM 1122 C LYS B 18 -11.186 6.959 -8.570 1.00 0.00 C ATOM 1123 O LYS B 18 -12.086 7.635 -9.058 1.00 0.00 O ATOM 1124 CB LYS B 18 -12.246 5.503 -6.754 1.00 0.00 C ATOM 1125 CG LYS B 18 -11.408 5.904 -5.529 1.00 0.00 C ATOM 1126 CD LYS B 18 -12.249 5.998 -4.244 1.00 0.00 C ATOM 1127 CE LYS B 18 -12.421 4.713 -3.419 1.00 0.00 C ATOM 1128 NZ LYS B 18 -13.168 3.624 -4.081 1.00 0.00 N ATOM 0 H LYS B 18 -9.616 4.992 -7.438 1.00 0.00 H new ATOM 0 HA LYS B 18 -12.181 5.171 -8.879 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -13.110 6.165 -6.813 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -12.627 4.494 -6.596 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.610 5.175 -5.385 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.931 6.866 -5.718 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.799 6.754 -3.601 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -13.241 6.360 -4.516 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -11.433 4.340 -3.150 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -12.930 4.965 -2.489 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -13.793 3.162 -3.390 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -13.739 4.016 -4.857 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.498 2.926 -4.463 1.00 0.00 H new ATOM 1142 N CYS B 19 -9.923 7.400 -8.496 1.00 0.00 N ATOM 1143 CA CYS B 19 -9.479 8.607 -9.185 1.00 0.00 C ATOM 1144 C CYS B 19 -8.981 8.310 -10.603 1.00 0.00 C ATOM 1145 O CYS B 19 -8.816 9.252 -11.371 1.00 0.00 O ATOM 1146 CB CYS B 19 -8.390 9.320 -8.415 1.00 0.00 C ATOM 1147 SG CYS B 19 -8.651 9.581 -6.648 1.00 0.00 S ATOM 0 H CYS B 19 -9.191 6.932 -7.961 1.00 0.00 H new ATOM 0 HA CYS B 19 -10.353 9.255 -9.251 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -7.466 8.755 -8.538 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -8.233 10.294 -8.879 1.00 0.00 H new ATOM 1152 N ASP B 20 -8.711 7.033 -10.922 1.00 0.00 N ATOM 1153 CA ASP B 20 -8.082 6.559 -12.155 1.00 0.00 C ATOM 1154 C ASP B 20 -6.897 7.442 -12.570 1.00 0.00 C ATOM 1155 O ASP B 20 -6.832 7.999 -13.665 1.00 0.00 O ATOM 1156 CB ASP B 20 -9.137 6.339 -13.242 1.00 0.00 C ATOM 1157 CG ASP B 20 -8.547 5.666 -14.490 1.00 0.00 C ATOM 1158 OD1 ASP B 20 -7.604 4.855 -14.323 1.00 0.00 O ATOM 1159 OD2 ASP B 20 -9.085 5.924 -15.590 1.00 0.00 O ATOM 0 H ASP B 20 -8.940 6.267 -10.289 1.00 0.00 H new ATOM 0 HA ASP B 20 -7.633 5.582 -11.977 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -9.943 5.722 -12.845 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -9.576 7.297 -13.520 1.00 0.00 H new ATOM 1164 N GLY B 21 -5.945 7.575 -11.641 1.00 0.00 N ATOM 1165 CA GLY B 21 -4.682 8.266 -11.848 1.00 0.00 C ATOM 1166 C GLY B 21 -3.535 7.352 -11.449 1.00 0.00 C ATOM 1167 O GLY B 21 -3.700 6.503 -10.578 1.00 0.00 O ATOM 0 H GLY B 21 -6.041 7.192 -10.700 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -4.582 8.558 -12.893 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -4.655 9.181 -11.257 1.00 0.00 H new ATOM 1171 N ARG B 22 -2.374 7.540 -12.079 1.00 0.00 N ATOM 1172 CA ARG B 22 -1.178 6.714 -11.942 1.00 0.00 C ATOM 1173 C ARG B 22 -0.651 6.824 -10.518 1.00 0.00 C ATOM 1174 O ARG B 22 -0.425 7.938 -10.045 1.00 0.00 O ATOM 1175 CB ARG B 22 -0.159 7.203 -12.991 1.00 0.00 C ATOM 1176 CG ARG B 22 1.212 6.505 -13.010 1.00 0.00 C ATOM 1177 CD ARG B 22 2.251 7.124 -12.057 1.00 0.00 C ATOM 1178 NE ARG B 22 3.619 6.778 -12.482 1.00 0.00 N ATOM 1179 CZ ARG B 22 4.732 6.871 -11.743 1.00 0.00 C ATOM 1180 NH1 ARG B 22 4.751 7.490 -10.567 1.00 0.00 N ATOM 1181 NH2 ARG B 22 5.865 6.308 -12.152 1.00 0.00 N ATOM 0 H ARG B 22 -2.238 8.312 -12.731 1.00 0.00 H new ATOM 0 HA ARG B 22 -1.385 5.659 -12.120 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.609 7.093 -13.978 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.005 8.269 -12.833 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.076 5.456 -12.749 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.606 6.532 -14.026 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.134 8.208 -12.038 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.079 6.767 -11.042 1.00 0.00 H new ATOM 0 HE ARG B 22 3.729 6.433 -13.435 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.899 7.914 -10.200 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.618 7.541 -10.032 1.00 0.00 H new ATOM 0 HH21 ARG B 22 5.892 5.800 -13.036 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.707 6.385 -11.582 1.00 0.00 H new ATOM 1195 N ILE B 23 -0.389 5.687 -9.864 1.00 0.00 N ATOM 1196 CA ILE B 23 0.293 5.660 -8.578 1.00 0.00 C ATOM 1197 C ILE B 23 1.437 4.655 -8.681 1.00 0.00 C ATOM 1198 O ILE B 23 1.306 3.605 -9.299 1.00 0.00 O ATOM 1199 CB ILE B 23 -0.642 5.296 -7.398 1.00 0.00 C ATOM 1200 CG1 ILE B 23 -2.016 5.999 -7.435 1.00 0.00 C ATOM 1201 CG2 ILE B 23 0.093 5.674 -6.093 1.00 0.00 C ATOM 1202 CD1 ILE B 23 -2.970 5.434 -6.381 1.00 0.00 C ATOM 0 H ILE B 23 -0.646 4.765 -10.216 1.00 0.00 H new ATOM 0 HA ILE B 23 0.662 6.662 -8.362 1.00 0.00 H new ATOM 0 HB ILE B 23 -0.858 4.230 -7.465 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.882 7.068 -7.269 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -2.457 5.883 -8.425 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -0.537 5.431 -5.237 1.00 0.00 H new ATOM 0 HG22 ILE B 23 1.027 5.115 -6.026 1.00 0.00 H new ATOM 0 HG23 ILE B 23 0.309 6.742 -6.093 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -3.926 5.955 -6.439 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -3.124 4.370 -6.563 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -2.540 5.574 -5.389 1.00 0.00 H new ATOM 1214 N GLU B 24 2.555 4.953 -8.030 1.00 0.00 N ATOM 1215 CA GLU B 24 3.729 4.107 -7.985 1.00 0.00 C ATOM 1216 C GLU B 24 3.848 3.570 -6.562 1.00 0.00 C ATOM 1217 O GLU B 24 4.434 4.202 -5.675 1.00 0.00 O ATOM 1218 CB GLU B 24 4.872 4.953 -8.523 1.00 0.00 C ATOM 1219 CG GLU B 24 6.225 4.260 -8.545 1.00 0.00 C ATOM 1220 CD GLU B 24 7.260 5.065 -9.357 1.00 0.00 C ATOM 1221 OE1 GLU B 24 6.980 6.231 -9.737 1.00 0.00 O ATOM 1222 OE2 GLU B 24 8.334 4.498 -9.652 1.00 0.00 O ATOM 0 H GLU B 24 2.667 5.819 -7.504 1.00 0.00 H new ATOM 0 HA GLU B 24 3.708 3.212 -8.607 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.625 5.269 -9.537 1.00 0.00 H new ATOM 0 HB3 GLU B 24 4.952 5.856 -7.918 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.584 4.129 -7.524 1.00 0.00 H new ATOM 0 HG3 GLU B 24 6.118 3.264 -8.976 1.00 0.00 H new ATOM 1229 N LEU B 25 3.157 2.446 -6.333 1.00 0.00 N ATOM 1230 CA LEU B 25 2.818 1.961 -5.005 1.00 0.00 C ATOM 1231 C LEU B 25 4.087 1.494 -4.319 1.00 0.00 C ATOM 1232 O LEU B 25 4.580 0.395 -4.591 1.00 0.00 O ATOM 1233 CB LEU B 25 1.814 0.806 -5.025 1.00 0.00 C ATOM 1234 CG LEU B 25 0.468 1.049 -5.721 1.00 0.00 C ATOM 1235 CD1 LEU B 25 -0.393 -0.212 -5.591 1.00 0.00 C ATOM 1236 CD2 LEU B 25 -0.255 2.236 -5.099 1.00 0.00 C ATOM 0 H LEU B 25 2.816 1.844 -7.083 1.00 0.00 H new ATOM 0 HA LEU B 25 2.349 2.786 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.292 -0.047 -5.506 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.612 0.518 -3.993 1.00 0.00 H new ATOM 0 HG LEU B 25 0.645 1.273 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.352 -0.050 -6.083 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.118 -1.052 -6.061 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.558 -0.433 -4.536 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.207 2.390 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.436 2.039 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.360 3.130 -5.201 1.00 0.00 H new ATOM 1248 N THR B 26 4.641 2.358 -3.475 1.00 0.00 N ATOM 1249 CA THR B 26 5.955 2.134 -2.921 1.00 0.00 C ATOM 1250 C THR B 26 5.806 1.308 -1.640 1.00 0.00 C ATOM 1251 O THR B 26 5.528 1.825 -0.556 1.00 0.00 O ATOM 1252 CB THR B 26 6.712 3.457 -2.827 1.00 0.00 C ATOM 1253 OG1 THR B 26 6.740 4.048 -4.121 1.00 0.00 O ATOM 1254 CG2 THR B 26 8.163 3.221 -2.388 1.00 0.00 C ATOM 0 H THR B 26 4.192 3.220 -3.164 1.00 0.00 H new ATOM 0 HA THR B 26 6.595 1.531 -3.564 1.00 0.00 H new ATOM 0 HB THR B 26 6.214 4.099 -2.100 1.00 0.00 H new ATOM 0 HG1 THR B 26 5.830 4.084 -4.484 1.00 0.00 H new ATOM 0 HG21 THR B 26 8.685 4.176 -2.327 1.00 0.00 H new ATOM 0 HG22 THR B 26 8.174 2.739 -1.410 1.00 0.00 H new ATOM 0 HG23 THR B 26 8.663 2.580 -3.114 1.00 0.00 H new ATOM 1262 N VAL B 27 5.923 -0.009 -1.808 1.00 0.00 N ATOM 1263 CA VAL B 27 5.802 -1.006 -0.753 1.00 0.00 C ATOM 1264 C VAL B 27 7.235 -1.480 -0.495 1.00 0.00 C ATOM 1265 O VAL B 27 7.972 -1.848 -1.416 1.00 0.00 O ATOM 1266 CB VAL B 27 4.751 -2.096 -1.133 1.00 0.00 C ATOM 1267 CG1 VAL B 27 3.379 -1.453 -1.377 1.00 0.00 C ATOM 1268 CG2 VAL B 27 5.138 -2.867 -2.408 1.00 0.00 C ATOM 0 H VAL B 27 6.112 -0.424 -2.721 1.00 0.00 H new ATOM 0 HA VAL B 27 5.396 -0.627 0.185 1.00 0.00 H new ATOM 0 HB VAL B 27 4.716 -2.791 -0.294 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.657 -2.226 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.050 -0.943 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.454 -0.733 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.374 -3.613 -2.628 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.218 -2.172 -3.244 1.00 0.00 H new ATOM 0 HG23 VAL B 27 6.097 -3.363 -2.256 1.00 0.00 H new ATOM 1278 N GLU B 28 7.684 -1.357 0.754 1.00 0.00 N ATOM 1279 CA GLU B 28 9.029 -1.747 1.146 1.00 0.00 C ATOM 1280 C GLU B 28 8.869 -3.222 1.511 1.00 0.00 C ATOM 1281 O GLU B 28 8.253 -3.578 2.517 1.00 0.00 O ATOM 1282 CB GLU B 28 9.573 -0.772 2.211 1.00 0.00 C ATOM 1283 CG GLU B 28 10.971 -0.277 1.835 1.00 0.00 C ATOM 1284 CD GLU B 28 11.794 0.508 2.854 1.00 0.00 C ATOM 1285 OE1 GLU B 28 11.264 1.047 3.852 1.00 0.00 O ATOM 1286 OE2 GLU B 28 12.985 0.732 2.545 1.00 0.00 O ATOM 0 H GLU B 28 7.122 -0.984 1.519 1.00 0.00 H new ATOM 0 HA GLU B 28 9.808 -1.672 0.387 1.00 0.00 H new ATOM 0 HB2 GLU B 28 8.897 0.077 2.311 1.00 0.00 H new ATOM 0 HB3 GLU B 28 9.607 -1.269 3.181 1.00 0.00 H new ATOM 0 HG2 GLU B 28 11.558 -1.148 1.544 1.00 0.00 H new ATOM 0 HG3 GLU B 28 10.868 0.348 0.948 1.00 0.00 H new ATOM 1293 N SER B 29 9.218 -4.093 0.559 1.00 0.00 N ATOM 1294 CA SER B 29 8.749 -5.460 0.499 1.00 0.00 C ATOM 1295 C SER B 29 9.750 -6.350 -0.226 1.00 0.00 C ATOM 1296 O SER B 29 10.254 -5.942 -1.266 1.00 0.00 O ATOM 1297 CB SER B 29 7.487 -5.403 -0.361 1.00 0.00 C ATOM 1298 OG SER B 29 6.518 -4.522 0.169 1.00 0.00 O ATOM 0 H SER B 29 9.850 -3.851 -0.204 1.00 0.00 H new ATOM 0 HA SER B 29 8.593 -5.860 1.501 1.00 0.00 H new ATOM 0 HB2 SER B 29 7.751 -5.085 -1.370 1.00 0.00 H new ATOM 0 HB3 SER B 29 7.060 -6.403 -0.443 1.00 0.00 H new ATOM 0 HG SER B 29 5.622 -4.836 -0.075 1.00 0.00 H new ATOM 1304 N SER B 30 10.001 -7.574 0.251 1.00 0.00 N ATOM 1305 CA SER B 30 10.878 -8.494 -0.478 1.00 0.00 C ATOM 1306 C SER B 30 10.266 -8.749 -1.853 1.00 0.00 C ATOM 1307 O SER B 30 9.045 -8.856 -1.954 1.00 0.00 O ATOM 1308 CB SER B 30 11.035 -9.811 0.285 1.00 0.00 C ATOM 1309 OG SER B 30 11.554 -9.564 1.580 1.00 0.00 O ATOM 0 H SER B 30 9.618 -7.944 1.121 1.00 0.00 H new ATOM 0 HA SER B 30 11.869 -8.052 -0.583 1.00 0.00 H new ATOM 0 HB2 SER B 30 10.071 -10.314 0.361 1.00 0.00 H new ATOM 0 HB3 SER B 30 11.701 -10.479 -0.261 1.00 0.00 H new ATOM 0 HG SER B 30 11.650 -10.412 2.061 1.00 0.00 H new ATOM 1315 N ALA B 31 11.080 -8.847 -2.910 1.00 0.00 N ATOM 1316 CA ALA B 31 10.583 -8.814 -4.286 1.00 0.00 C ATOM 1317 C ALA B 31 9.443 -9.805 -4.547 1.00 0.00 C ATOM 1318 O ALA B 31 8.472 -9.460 -5.220 1.00 0.00 O ATOM 1319 CB ALA B 31 11.737 -9.071 -5.259 1.00 0.00 C ATOM 0 H ALA B 31 12.092 -8.950 -2.835 1.00 0.00 H new ATOM 0 HA ALA B 31 10.167 -7.819 -4.446 1.00 0.00 H new ATOM 0 HB1 ALA B 31 11.363 -9.046 -6.282 1.00 0.00 H new ATOM 0 HB2 ALA B 31 12.498 -8.301 -5.132 1.00 0.00 H new ATOM 0 HB3 ALA B 31 12.173 -10.049 -5.056 1.00 0.00 H new ATOM 1325 N GLU B 32 9.520 -11.019 -3.993 1.00 0.00 N ATOM 1326 CA GLU B 32 8.519 -12.035 -4.270 1.00 0.00 C ATOM 1327 C GLU B 32 7.370 -12.048 -3.257 1.00 0.00 C ATOM 1328 O GLU B 32 6.317 -12.650 -3.473 1.00 0.00 O ATOM 1329 CB GLU B 32 9.175 -13.401 -4.452 1.00 0.00 C ATOM 1330 CG GLU B 32 8.482 -14.053 -5.657 1.00 0.00 C ATOM 1331 CD GLU B 32 8.989 -15.420 -6.102 1.00 0.00 C ATOM 1332 OE1 GLU B 32 9.935 -15.959 -5.490 1.00 0.00 O ATOM 1333 OE2 GLU B 32 8.399 -15.890 -7.103 1.00 0.00 O ATOM 0 H GLU B 32 10.261 -11.313 -3.357 1.00 0.00 H new ATOM 0 HA GLU B 32 8.044 -11.772 -5.215 1.00 0.00 H new ATOM 0 HB2 GLU B 32 10.246 -13.298 -4.628 1.00 0.00 H new ATOM 0 HB3 GLU B 32 9.056 -14.012 -3.557 1.00 0.00 H new ATOM 0 HG2 GLU B 32 7.421 -14.146 -5.426 1.00 0.00 H new ATOM 0 HG3 GLU B 32 8.565 -13.371 -6.503 1.00 0.00 H new ATOM 1340 N ASP B 33 7.539 -11.316 -2.167 1.00 0.00 N ATOM 1341 CA ASP B 33 6.502 -10.990 -1.223 1.00 0.00 C ATOM 1342 C ASP B 33 5.667 -9.826 -1.798 1.00 0.00 C ATOM 1343 O ASP B 33 4.436 -9.841 -1.766 1.00 0.00 O ATOM 1344 CB ASP B 33 7.217 -10.702 0.100 1.00 0.00 C ATOM 1345 CG ASP B 33 6.333 -10.897 1.320 1.00 0.00 C ATOM 1346 OD1 ASP B 33 5.122 -10.638 1.213 1.00 0.00 O ATOM 1347 OD2 ASP B 33 6.904 -11.267 2.373 1.00 0.00 O ATOM 0 H ASP B 33 8.444 -10.920 -1.913 1.00 0.00 H new ATOM 0 HA ASP B 33 5.782 -11.788 -1.040 1.00 0.00 H new ATOM 0 HB2 ASP B 33 8.087 -11.353 0.183 1.00 0.00 H new ATOM 0 HB3 ASP B 33 7.587 -9.677 0.089 1.00 0.00 H new ATOM 1352 N LEU B 34 6.338 -8.898 -2.502 1.00 0.00 N ATOM 1353 CA LEU B 34 5.705 -7.896 -3.371 1.00 0.00 C ATOM 1354 C LEU B 34 4.900 -8.594 -4.457 1.00 0.00 C ATOM 1355 O LEU B 34 3.757 -8.244 -4.721 1.00 0.00 O ATOM 1356 CB LEU B 34 6.741 -6.919 -3.958 1.00 0.00 C ATOM 1357 CG LEU B 34 6.268 -6.123 -5.204 1.00 0.00 C ATOM 1358 CD1 LEU B 34 7.052 -4.814 -5.253 1.00 0.00 C ATOM 1359 CD2 LEU B 34 6.516 -6.817 -6.558 1.00 0.00 C ATOM 0 H LEU B 34 7.355 -8.824 -2.481 1.00 0.00 H new ATOM 0 HA LEU B 34 5.022 -7.294 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU B 34 7.029 -6.210 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU B 34 7.636 -7.481 -4.224 1.00 0.00 H new ATOM 0 HG LEU B 34 5.191 -6.007 -5.085 1.00 0.00 H new ATOM 0 HD11 LEU B 34 6.738 -4.234 -6.121 1.00 0.00 H new ATOM 0 HD12 LEU B 34 6.861 -4.241 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU B 34 8.118 -5.031 -5.327 1.00 0.00 H new ATOM 0 HD21 LEU B 34 6.151 -6.181 -7.365 1.00 0.00 H new ATOM 0 HD22 LEU B 34 7.584 -6.990 -6.688 1.00 0.00 H new ATOM 0 HD23 LEU B 34 5.988 -7.770 -6.580 1.00 0.00 H new ATOM 1371 N ARG B 35 5.522 -9.587 -5.083 1.00 0.00 N ATOM 1372 CA ARG B 35 4.932 -10.434 -6.121 1.00 0.00 C ATOM 1373 C ARG B 35 3.698 -11.094 -5.542 1.00 0.00 C ATOM 1374 O ARG B 35 2.643 -11.031 -6.156 1.00 0.00 O ATOM 1375 CB ARG B 35 5.913 -11.493 -6.647 1.00 0.00 C ATOM 1376 CG ARG B 35 5.396 -12.225 -7.896 1.00 0.00 C ATOM 1377 CD ARG B 35 6.286 -13.421 -8.277 1.00 0.00 C ATOM 1378 NE ARG B 35 5.826 -14.060 -9.518 1.00 0.00 N ATOM 1379 CZ ARG B 35 6.182 -15.269 -9.981 1.00 0.00 C ATOM 1380 NH1 ARG B 35 7.013 -16.079 -9.325 1.00 0.00 N ATOM 1381 NH2 ARG B 35 5.682 -15.670 -11.149 1.00 0.00 N ATOM 0 H ARG B 35 6.489 -9.836 -4.875 1.00 0.00 H new ATOM 0 HA ARG B 35 4.673 -9.810 -6.976 1.00 0.00 H new ATOM 0 HB2 ARG B 35 6.864 -11.015 -6.881 1.00 0.00 H new ATOM 0 HB3 ARG B 35 6.108 -12.222 -5.860 1.00 0.00 H new ATOM 0 HG2 ARG B 35 4.379 -12.573 -7.716 1.00 0.00 H new ATOM 0 HG3 ARG B 35 5.351 -11.527 -8.732 1.00 0.00 H new ATOM 0 HD2 ARG B 35 7.316 -13.085 -8.399 1.00 0.00 H new ATOM 0 HD3 ARG B 35 6.283 -14.151 -7.468 1.00 0.00 H new ATOM 0 HE ARG B 35 5.167 -13.529 -10.087 1.00 0.00 H new ATOM 0 HH11 ARG B 35 7.408 -15.789 -8.430 1.00 0.00 H new ATOM 0 HH12 ARG B 35 7.254 -16.989 -9.718 1.00 0.00 H new ATOM 0 HH21 ARG B 35 5.046 -15.063 -11.667 1.00 0.00 H new ATOM 0 HH22 ARG B 35 5.935 -16.584 -11.525 1.00 0.00 H new ATOM 1395 N THR B 36 3.816 -11.703 -4.368 1.00 0.00 N ATOM 1396 CA THR B 36 2.705 -12.349 -3.688 1.00 0.00 C ATOM 1397 C THR B 36 1.561 -11.345 -3.499 1.00 0.00 C ATOM 1398 O THR B 36 0.440 -11.610 -3.941 1.00 0.00 O ATOM 1399 CB THR B 36 3.205 -12.973 -2.373 1.00 0.00 C ATOM 1400 OG1 THR B 36 4.224 -13.915 -2.653 1.00 0.00 O ATOM 1401 CG2 THR B 36 2.087 -13.696 -1.618 1.00 0.00 C ATOM 0 H THR B 36 4.697 -11.762 -3.857 1.00 0.00 H new ATOM 0 HA THR B 36 2.301 -13.165 -4.288 1.00 0.00 H new ATOM 0 HB THR B 36 3.578 -12.159 -1.752 1.00 0.00 H new ATOM 0 HG1 THR B 36 5.045 -13.443 -2.906 1.00 0.00 H new ATOM 0 HG21 THR B 36 2.486 -14.121 -0.697 1.00 0.00 H new ATOM 0 HG22 THR B 36 1.293 -12.988 -1.378 1.00 0.00 H new ATOM 0 HG23 THR B 36 1.685 -14.495 -2.241 1.00 0.00 H new ATOM 1409 N LEU B 37 1.835 -10.165 -2.928 1.00 0.00 N ATOM 1410 CA LEU B 37 0.800 -9.149 -2.756 1.00 0.00 C ATOM 1411 C LEU B 37 0.277 -8.621 -4.111 1.00 0.00 C ATOM 1412 O LEU B 37 -0.898 -8.289 -4.229 1.00 0.00 O ATOM 1413 CB LEU B 37 1.242 -8.092 -1.724 1.00 0.00 C ATOM 1414 CG LEU B 37 1.690 -6.716 -2.258 1.00 0.00 C ATOM 1415 CD1 LEU B 37 0.530 -5.698 -2.186 1.00 0.00 C ATOM 1416 CD2 LEU B 37 2.879 -6.222 -1.425 1.00 0.00 C ATOM 0 H LEU B 37 2.756 -9.896 -2.582 1.00 0.00 H new ATOM 0 HA LEU B 37 -0.090 -9.598 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.415 -7.931 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.064 -8.512 -1.145 1.00 0.00 H new ATOM 0 HG LEU B 37 1.987 -6.815 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU B 37 0.867 -4.734 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.305 -6.055 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.208 -5.586 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU B 37 3.203 -5.249 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU B 37 2.579 -6.132 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU B 37 3.701 -6.933 -1.506 1.00 0.00 H new ATOM 1428 N GLN B 38 1.091 -8.633 -5.173 1.00 0.00 N ATOM 1429 CA GLN B 38 0.669 -8.333 -6.536 1.00 0.00 C ATOM 1430 C GLN B 38 -0.270 -9.442 -7.045 1.00 0.00 C ATOM 1431 O GLN B 38 -1.202 -9.146 -7.789 1.00 0.00 O ATOM 1432 CB GLN B 38 1.917 -8.130 -7.415 1.00 0.00 C ATOM 1433 CG GLN B 38 1.720 -8.126 -8.940 1.00 0.00 C ATOM 1434 CD GLN B 38 2.998 -8.605 -9.625 1.00 0.00 C ATOM 1435 OE1 GLN B 38 3.061 -9.722 -10.133 1.00 0.00 O ATOM 1436 NE2 GLN B 38 4.060 -7.810 -9.589 1.00 0.00 N ATOM 0 H GLN B 38 2.083 -8.857 -5.101 1.00 0.00 H new ATOM 0 HA GLN B 38 0.097 -7.406 -6.575 1.00 0.00 H new ATOM 0 HB2 GLN B 38 2.376 -7.183 -7.133 1.00 0.00 H new ATOM 0 HB3 GLN B 38 2.632 -8.916 -7.171 1.00 0.00 H new ATOM 0 HG2 GLN B 38 0.886 -8.774 -9.210 1.00 0.00 H new ATOM 0 HG3 GLN B 38 1.467 -7.122 -9.281 1.00 0.00 H new ATOM 0 HE21 GLN B 38 3.991 -6.886 -9.164 1.00 0.00 H new ATOM 0 HE22 GLN B 38 4.945 -8.123 -9.987 1.00 0.00 H new ATOM 1445 N GLN B 39 -0.089 -10.705 -6.631 1.00 0.00 N ATOM 1446 CA GLN B 39 -1.034 -11.763 -6.958 1.00 0.00 C ATOM 1447 C GLN B 39 -2.353 -11.518 -6.223 1.00 0.00 C ATOM 1448 O GLN B 39 -3.414 -11.761 -6.791 1.00 0.00 O ATOM 1449 CB GLN B 39 -0.502 -13.175 -6.681 1.00 0.00 C ATOM 1450 CG GLN B 39 0.887 -13.502 -7.247 1.00 0.00 C ATOM 1451 CD GLN B 39 1.190 -12.918 -8.630 1.00 0.00 C ATOM 1452 OE1 GLN B 39 0.774 -13.444 -9.654 1.00 0.00 O ATOM 1453 NE2 GLN B 39 1.949 -11.832 -8.659 1.00 0.00 N ATOM 0 H GLN B 39 0.706 -11.010 -6.069 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.197 -11.722 -8.035 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -0.476 -13.325 -5.602 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -1.214 -13.894 -7.085 1.00 0.00 H new ATOM 0 HG2 GLN B 39 1.640 -13.141 -6.546 1.00 0.00 H new ATOM 0 HG3 GLN B 39 0.993 -14.586 -7.298 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.280 -11.418 -7.788 1.00 0.00 H new ATOM 0 HE22 GLN B 39 2.202 -11.411 -9.553 1.00 0.00 H new ATOM 1462 N LEU B 40 -2.309 -10.970 -5.000 1.00 0.00 N ATOM 1463 CA LEU B 40 -3.513 -10.460 -4.342 1.00 0.00 C ATOM 1464 C LEU B 40 -4.161 -9.345 -5.177 1.00 0.00 C ATOM 1465 O LEU B 40 -5.382 -9.359 -5.331 1.00 0.00 O ATOM 1466 CB LEU B 40 -3.261 -10.050 -2.880 1.00 0.00 C ATOM 1467 CG LEU B 40 -2.469 -11.047 -2.003 1.00 0.00 C ATOM 1468 CD1 LEU B 40 -2.333 -10.487 -0.582 1.00 0.00 C ATOM 1469 CD2 LEU B 40 -3.045 -12.464 -1.936 1.00 0.00 C ATOM 0 H LEU B 40 -1.455 -10.870 -4.451 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.231 -11.279 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.727 -9.100 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.226 -9.873 -2.406 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.500 -11.149 -2.492 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.774 -11.191 0.035 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.804 -9.535 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.324 -10.337 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.416 -13.083 -1.296 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.054 -12.427 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.076 -12.892 -2.938 1.00 0.00 H new ATOM 1481 N PHE B 41 -3.387 -8.423 -5.776 1.00 0.00 N ATOM 1482 CA PHE B 41 -3.935 -7.405 -6.691 1.00 0.00 C ATOM 1483 C PHE B 41 -4.624 -8.072 -7.879 1.00 0.00 C ATOM 1484 O PHE B 41 -5.744 -7.717 -8.235 1.00 0.00 O ATOM 1485 CB PHE B 41 -2.880 -6.378 -7.148 1.00 0.00 C ATOM 1486 CG PHE B 41 -2.764 -5.134 -6.282 1.00 0.00 C ATOM 1487 CD1 PHE B 41 -2.206 -5.208 -4.992 1.00 0.00 C ATOM 1488 CD2 PHE B 41 -3.211 -3.889 -6.767 1.00 0.00 C ATOM 1489 CE1 PHE B 41 -2.119 -4.060 -4.184 1.00 0.00 C ATOM 1490 CE2 PHE B 41 -3.106 -2.738 -5.966 1.00 0.00 C ATOM 1491 CZ PHE B 41 -2.574 -2.826 -4.670 1.00 0.00 C ATOM 0 H PHE B 41 -2.378 -8.362 -5.643 1.00 0.00 H new ATOM 0 HA PHE B 41 -4.679 -6.837 -6.132 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -1.908 -6.870 -7.179 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -3.115 -6.070 -8.167 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -1.842 -6.154 -4.620 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -3.636 -3.818 -7.757 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -1.702 -4.129 -3.190 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -3.436 -1.784 -6.349 1.00 0.00 H new ATOM 0 HZ PHE B 41 -2.515 -1.945 -4.048 1.00 0.00 H new ATOM 1501 N LEU B 42 -3.976 -9.080 -8.459 1.00 0.00 N ATOM 1502 CA LEU B 42 -4.544 -9.883 -9.531 1.00 0.00 C ATOM 1503 C LEU B 42 -5.765 -10.708 -9.078 1.00 0.00 C ATOM 1504 O LEU B 42 -6.563 -11.099 -9.927 1.00 0.00 O ATOM 1505 CB LEU B 42 -3.426 -10.766 -10.108 1.00 0.00 C ATOM 1506 CG LEU B 42 -2.366 -9.982 -10.916 1.00 0.00 C ATOM 1507 CD1 LEU B 42 -1.113 -10.840 -11.128 1.00 0.00 C ATOM 1508 CD2 LEU B 42 -2.900 -9.531 -12.283 1.00 0.00 C ATOM 0 H LEU B 42 -3.033 -9.362 -8.193 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.930 -9.222 -10.307 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.931 -11.290 -9.290 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -3.871 -11.525 -10.751 1.00 0.00 H new ATOM 0 HG LEU B 42 -2.118 -9.094 -10.335 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -0.377 -10.274 -11.698 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -0.691 -11.113 -10.161 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -1.379 -11.744 -11.676 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -2.122 -8.984 -12.815 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -3.193 -10.405 -12.865 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.765 -8.883 -12.140 1.00 0.00 H new ATOM 1520 N SER B 43 -5.929 -10.950 -7.771 1.00 0.00 N ATOM 1521 CA SER B 43 -7.090 -11.568 -7.152 1.00 0.00 C ATOM 1522 C SER B 43 -8.223 -10.542 -6.962 1.00 0.00 C ATOM 1523 O SER B 43 -9.188 -10.563 -7.725 1.00 0.00 O ATOM 1524 CB SER B 43 -6.663 -12.258 -5.844 1.00 0.00 C ATOM 1525 OG SER B 43 -7.657 -13.138 -5.366 1.00 0.00 O ATOM 0 H SER B 43 -5.213 -10.704 -7.088 1.00 0.00 H new ATOM 0 HA SER B 43 -7.498 -12.338 -7.807 1.00 0.00 H new ATOM 0 HB2 SER B 43 -5.738 -12.810 -6.010 1.00 0.00 H new ATOM 0 HB3 SER B 43 -6.452 -11.503 -5.087 1.00 0.00 H new ATOM 0 HG SER B 43 -7.350 -13.559 -4.536 1.00 0.00 H new ATOM 1531 N THR B 44 -8.143 -9.665 -5.944 1.00 0.00 N ATOM 1532 CA THR B 44 -9.215 -8.748 -5.542 1.00 0.00 C ATOM 1533 C THR B 44 -8.732 -7.369 -5.061 1.00 0.00 C ATOM 1534 O THR B 44 -9.537 -6.540 -4.616 1.00 0.00 O ATOM 1535 CB THR B 44 -10.175 -9.382 -4.504 1.00 0.00 C ATOM 1536 OG1 THR B 44 -9.767 -9.207 -3.154 1.00 0.00 O ATOM 1537 CG2 THR B 44 -10.436 -10.874 -4.691 1.00 0.00 C ATOM 0 H THR B 44 -7.307 -9.576 -5.366 1.00 0.00 H new ATOM 0 HA THR B 44 -9.768 -8.569 -6.464 1.00 0.00 H new ATOM 0 HB THR B 44 -11.092 -8.827 -4.700 1.00 0.00 H new ATOM 0 HG1 THR B 44 -8.789 -9.243 -3.101 1.00 0.00 H new ATOM 0 HG21 THR B 44 -11.119 -11.224 -3.917 1.00 0.00 H new ATOM 0 HG22 THR B 44 -10.881 -11.046 -5.671 1.00 0.00 H new ATOM 0 HG23 THR B 44 -9.495 -11.420 -4.619 1.00 0.00 H new ATOM 1545 N LEU B 45 -7.418 -7.142 -5.091 1.00 0.00 N ATOM 1546 CA LEU B 45 -6.793 -5.955 -4.514 1.00 0.00 C ATOM 1547 C LEU B 45 -6.596 -4.831 -5.544 1.00 0.00 C ATOM 1548 O LEU B 45 -6.335 -5.059 -6.723 1.00 0.00 O ATOM 1549 CB LEU B 45 -5.469 -6.357 -3.833 1.00 0.00 C ATOM 1550 CG LEU B 45 -5.485 -6.234 -2.318 1.00 0.00 C ATOM 1551 CD1 LEU B 45 -6.282 -7.387 -1.703 1.00 0.00 C ATOM 1552 CD2 LEU B 45 -4.067 -6.246 -1.745 1.00 0.00 C ATOM 0 H LEU B 45 -6.753 -7.784 -5.521 1.00 0.00 H new ATOM 0 HA LEU B 45 -7.466 -5.542 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -5.234 -7.387 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -4.666 -5.734 -4.228 1.00 0.00 H new ATOM 0 HG LEU B 45 -5.956 -5.283 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -6.286 -7.288 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -7.307 -7.360 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -5.821 -8.336 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -4.112 -6.156 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -3.575 -7.181 -2.012 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -3.502 -5.409 -2.155 1.00 0.00 H new ATOM 1564 N SER B 46 -6.675 -3.599 -5.052 1.00 0.00 N ATOM 1565 CA SER B 46 -6.554 -2.318 -5.721 1.00 0.00 C ATOM 1566 C SER B 46 -5.927 -1.320 -4.720 1.00 0.00 C ATOM 1567 O SER B 46 -5.626 -1.665 -3.570 1.00 0.00 O ATOM 1568 CB SER B 46 -7.946 -1.891 -6.242 1.00 0.00 C ATOM 1569 OG SER B 46 -9.017 -2.208 -5.364 1.00 0.00 O ATOM 0 H SER B 46 -6.846 -3.465 -4.055 1.00 0.00 H new ATOM 0 HA SER B 46 -5.901 -2.361 -6.593 1.00 0.00 H new ATOM 0 HB2 SER B 46 -7.942 -0.815 -6.419 1.00 0.00 H new ATOM 0 HB3 SER B 46 -8.125 -2.371 -7.204 1.00 0.00 H new ATOM 0 HG SER B 46 -9.782 -1.628 -5.559 1.00 0.00 H new ATOM 1575 N PHE B 47 -5.690 -0.067 -5.130 1.00 0.00 N ATOM 1576 CA PHE B 47 -5.170 0.955 -4.230 1.00 0.00 C ATOM 1577 C PHE B 47 -5.925 2.256 -4.426 1.00 0.00 C ATOM 1578 O PHE B 47 -6.534 2.498 -5.473 1.00 0.00 O ATOM 1579 CB PHE B 47 -3.668 1.169 -4.439 1.00 0.00 C ATOM 1580 CG PHE B 47 -3.004 1.923 -3.297 1.00 0.00 C ATOM 1581 CD1 PHE B 47 -2.599 1.253 -2.128 1.00 0.00 C ATOM 1582 CD2 PHE B 47 -2.796 3.311 -3.400 1.00 0.00 C ATOM 1583 CE1 PHE B 47 -1.985 1.974 -1.085 1.00 0.00 C ATOM 1584 CE2 PHE B 47 -2.157 4.022 -2.372 1.00 0.00 C ATOM 1585 CZ PHE B 47 -1.755 3.352 -1.208 1.00 0.00 C ATOM 0 H PHE B 47 -5.853 0.258 -6.083 1.00 0.00 H new ATOM 0 HA PHE B 47 -5.316 0.611 -3.206 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.183 0.200 -4.556 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -3.512 1.718 -5.367 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -2.758 0.189 -2.031 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -3.132 3.836 -4.282 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -1.689 1.461 -0.182 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -1.976 5.081 -2.477 1.00 0.00 H new ATOM 0 HZ PHE B 47 -1.270 3.895 -0.410 1.00 0.00 H new ATOM 1595 N VAL B 48 -5.858 3.086 -3.387 1.00 0.00 N ATOM 1596 CA VAL B 48 -6.611 4.296 -3.213 1.00 0.00 C ATOM 1597 C VAL B 48 -5.663 5.334 -2.594 1.00 0.00 C ATOM 1598 O VAL B 48 -5.272 5.221 -1.434 1.00 0.00 O ATOM 1599 CB VAL B 48 -7.894 3.924 -2.438 1.00 0.00 C ATOM 1600 CG1 VAL B 48 -8.604 5.045 -1.693 1.00 0.00 C ATOM 1601 CG2 VAL B 48 -8.926 3.379 -3.434 1.00 0.00 C ATOM 0 H VAL B 48 -5.232 2.907 -2.602 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.973 4.771 -4.125 1.00 0.00 H new ATOM 0 HB VAL B 48 -7.543 3.217 -1.686 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.487 4.647 -1.193 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -7.930 5.473 -0.952 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -8.904 5.818 -2.400 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -9.839 3.111 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -9.151 4.142 -4.179 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -8.522 2.496 -3.929 1.00 0.00 H new ATOM 1611 N CYS B 49 -5.208 6.294 -3.412 1.00 0.00 N ATOM 1612 CA CYS B 49 -4.198 7.286 -3.034 1.00 0.00 C ATOM 1613 C CYS B 49 -4.626 8.115 -1.811 1.00 0.00 C ATOM 1614 O CYS B 49 -5.823 8.309 -1.592 1.00 0.00 O ATOM 1615 CB CYS B 49 -3.888 8.200 -4.234 1.00 0.00 C ATOM 1616 SG CYS B 49 -5.301 8.798 -5.206 1.00 0.00 S ATOM 0 H CYS B 49 -5.539 6.402 -4.371 1.00 0.00 H new ATOM 0 HA CYS B 49 -3.294 6.749 -2.748 1.00 0.00 H new ATOM 0 HB2 CYS B 49 -3.340 9.067 -3.866 1.00 0.00 H new ATOM 0 HB3 CYS B 49 -3.219 7.661 -4.905 1.00 0.00 H new ATOM 1621 N PRO B 50 -3.676 8.705 -1.051 1.00 0.00 N ATOM 1622 CA PRO B 50 -4.009 9.528 0.113 1.00 0.00 C ATOM 1623 C PRO B 50 -4.912 10.732 -0.210 1.00 0.00 C ATOM 1624 O PRO B 50 -5.633 11.204 0.673 1.00 0.00 O ATOM 1625 CB PRO B 50 -2.674 9.942 0.743 1.00 0.00 C ATOM 1626 CG PRO B 50 -1.645 9.711 -0.363 1.00 0.00 C ATOM 1627 CD PRO B 50 -2.229 8.533 -1.137 1.00 0.00 C ATOM 0 HA PRO B 50 -4.612 8.950 0.813 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -2.690 10.985 1.059 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -2.449 9.344 1.626 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -1.528 10.591 -0.995 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -0.661 9.478 0.044 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -1.892 8.536 -2.174 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -1.918 7.583 -0.703 1.00 0.00 H new ATOM 1635 N TRP B 51 -4.929 11.187 -1.472 1.00 0.00 N ATOM 1636 CA TRP B 51 -5.868 12.172 -1.986 1.00 0.00 C ATOM 1637 C TRP B 51 -7.306 11.684 -1.780 1.00 0.00 C ATOM 1638 O TRP B 51 -8.018 12.269 -0.963 1.00 0.00 O ATOM 1639 CB TRP B 51 -5.554 12.489 -3.458 1.00 0.00 C ATOM 1640 CG TRP B 51 -6.601 13.275 -4.191 1.00 0.00 C ATOM 1641 CD1 TRP B 51 -7.452 14.164 -3.632 1.00 0.00 C ATOM 1642 CD2 TRP B 51 -6.967 13.218 -5.605 1.00 0.00 C ATOM 1643 NE1 TRP B 51 -8.355 14.607 -4.572 1.00 0.00 N ATOM 1644 CE2 TRP B 51 -8.100 14.062 -5.814 1.00 0.00 C ATOM 1645 CE3 TRP B 51 -6.463 12.528 -6.730 1.00 0.00 C ATOM 1646 CZ2 TRP B 51 -8.713 14.195 -7.070 1.00 0.00 C ATOM 1647 CZ3 TRP B 51 -7.057 12.672 -7.999 1.00 0.00 C ATOM 1648 CH2 TRP B 51 -8.185 13.494 -8.168 1.00 0.00 C ATOM 0 H TRP B 51 -4.266 10.864 -2.177 1.00 0.00 H new ATOM 0 HA TRP B 51 -5.763 13.105 -1.432 1.00 0.00 H new ATOM 0 HB2 TRP B 51 -4.615 13.042 -3.499 1.00 0.00 H new ATOM 0 HB3 TRP B 51 -5.394 11.549 -3.987 1.00 0.00 H new ATOM 0 HD1 TRP B 51 -7.427 14.480 -2.600 1.00 0.00 H new ATOM 0 HE1 TRP B 51 -9.117 15.256 -4.375 1.00 0.00 H new ATOM 0 HE3 TRP B 51 -5.608 11.879 -6.615 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 -9.580 14.828 -7.191 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 -6.643 12.148 -8.848 1.00 0.00 H new ATOM 0 HH2 TRP B 51 -8.645 13.587 -9.141 1.00 0.00 H new ATOM 1659 N CYS B 52 -7.740 10.622 -2.473 1.00 0.00 N ATOM 1660 CA CYS B 52 -9.083 10.083 -2.269 1.00 0.00 C ATOM 1661 C CYS B 52 -9.263 9.481 -0.894 1.00 0.00 C ATOM 1662 O CYS B 52 -10.392 9.410 -0.411 1.00 0.00 O ATOM 1663 CB CYS B 52 -9.448 9.008 -3.279 1.00 0.00 C ATOM 1664 SG CYS B 52 -8.152 7.834 -3.684 1.00 0.00 S ATOM 0 H CYS B 52 -7.185 10.127 -3.171 1.00 0.00 H new ATOM 0 HA CYS B 52 -9.738 10.945 -2.392 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -10.305 8.454 -2.896 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -9.769 9.496 -4.199 1.00 0.00 H new ATOM 1669 N ALA B 53 -8.182 9.056 -0.235 1.00 0.00 N ATOM 1670 CA ALA B 53 -8.346 8.585 1.117 1.00 0.00 C ATOM 1671 C ALA B 53 -8.898 9.715 1.997 1.00 0.00 C ATOM 1672 O ALA B 53 -9.797 9.479 2.801 1.00 0.00 O ATOM 1673 CB ALA B 53 -7.037 8.051 1.693 1.00 0.00 C ATOM 0 H ALA B 53 -7.232 9.032 -0.604 1.00 0.00 H new ATOM 0 HA ALA B 53 -9.056 7.758 1.103 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -7.203 7.706 2.713 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -6.682 7.221 1.082 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.290 8.845 1.695 1.00 0.00 H new ATOM 1679 N THR B 54 -8.380 10.931 1.787 1.00 0.00 N ATOM 1680 CA THR B 54 -8.770 12.157 2.470 1.00 0.00 C ATOM 1681 C THR B 54 -10.102 12.709 1.929 1.00 0.00 C ATOM 1682 O THR B 54 -10.958 13.107 2.714 1.00 0.00 O ATOM 1683 CB THR B 54 -7.630 13.187 2.312 1.00 0.00 C ATOM 1684 OG1 THR B 54 -6.384 12.618 2.668 1.00 0.00 O ATOM 1685 CG2 THR B 54 -7.836 14.426 3.188 1.00 0.00 C ATOM 0 H THR B 54 -7.641 11.088 1.101 1.00 0.00 H new ATOM 0 HA THR B 54 -8.932 11.947 3.527 1.00 0.00 H new ATOM 0 HB THR B 54 -7.639 13.481 1.263 1.00 0.00 H new ATOM 0 HG1 THR B 54 -5.895 12.368 1.857 1.00 0.00 H new ATOM 0 HG21 THR B 54 -7.007 15.118 3.040 1.00 0.00 H new ATOM 0 HG22 THR B 54 -8.771 14.915 2.913 1.00 0.00 H new ATOM 0 HG23 THR B 54 -7.877 14.128 4.236 1.00 0.00 H new ATOM 1693 N ASN B 55 -10.261 12.793 0.599 1.00 0.00 N ATOM 1694 CA ASN B 55 -11.414 13.423 -0.062 1.00 0.00 C ATOM 1695 C ASN B 55 -12.629 12.494 -0.086 1.00 0.00 C ATOM 1696 O ASN B 55 -13.707 12.898 0.343 1.00 0.00 O ATOM 1697 CB ASN B 55 -11.071 13.821 -1.517 1.00 0.00 C ATOM 1698 CG ASN B 55 -10.185 15.051 -1.682 1.00 0.00 C ATOM 1699 OD1 ASN B 55 -10.199 15.699 -2.724 1.00 0.00 O ATOM 1700 ND2 ASN B 55 -9.364 15.384 -0.696 1.00 0.00 N ATOM 0 H ASN B 55 -9.578 12.418 -0.060 1.00 0.00 H new ATOM 0 HA ASN B 55 -11.656 14.314 0.518 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -10.578 12.976 -1.997 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -12.003 13.994 -2.055 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -8.739 16.183 -0.801 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -9.357 14.841 0.168 1.00 0.00 H new ATOM 1707 N GLN B 56 -12.420 11.293 -0.640 1.00 0.00 N ATOM 1708 CA GLN B 56 -13.292 10.264 -1.200 1.00 0.00 C ATOM 1709 C GLN B 56 -12.791 9.926 -2.611 1.00 0.00 C ATOM 1710 O GLN B 56 -13.079 8.794 -3.063 1.00 0.00 O ATOM 1711 CB GLN B 56 -14.776 10.632 -1.143 1.00 0.00 C ATOM 1712 CG GLN B 56 -15.706 9.528 -1.669 1.00 0.00 C ATOM 1713 CD GLN B 56 -15.443 8.169 -1.013 1.00 0.00 C ATOM 1714 OE1 GLN B 56 -15.763 7.956 0.152 1.00 0.00 O ATOM 1715 NE2 GLN B 56 -14.791 7.250 -1.707 1.00 0.00 N ATOM 0 H GLN B 56 -11.455 10.972 -0.714 1.00 0.00 H new ATOM 0 HA GLN B 56 -13.235 9.367 -0.583 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -15.045 10.861 -0.112 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -14.939 11.540 -1.724 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -16.742 9.817 -1.493 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -15.580 9.436 -2.748 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -14.528 7.433 -2.675 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -14.552 6.358 -1.274 1.00 0.00 H new TER 1724 GLN B 56 HETATM 1725 ZN ZN A 57 7.130 7.258 4.788 1.00 0.00 ZN HETATM 1726 ZN ZN B 57 -7.316 7.596 -6.007 1.00 0.00 ZN