USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=33 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 17 CYS SG : rot 171:sc= 0.388 USER MOD Set 1.2: B 46 SER OG : rot 151:sc= 0.893 USER MOD Set 2.1: B 8 GLN : amide:sc= 0.843 K(o=1.8,f=1.1) USER MOD Set 2.2: B 30 SER OG : rot 180:sc= 0.922 USER MOD Set 3.1: A 56 GLN : amide:sc= 1.93 K(o=2.8,f=-8.3!) USER MOD Set 3.2: B 3 HIS : no HD1:sc= 0.835 K(o=2.8,f=-7!) USER MOD Set 4.1: A 17 CYS SG : rot 152:sc= 0.0957 USER MOD Set 4.2: A 18 LYS NZ :NH3+ 180:sc= 0.353 (180deg=0.35) USER MOD Set 5.1: A 8 GLN : amide:sc= 0.536 X(o=1.2,f=1.4) USER MOD Set 5.2: A 30 SER OG : rot 180:sc= 0.666 USER MOD Single : A 1 GLY N :NH3+ 145:sc= 0.104 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.351 X(o=-0.35,f=-0.35) USER MOD Single : A 4 MET CE :methyl 169:sc=-0.00747 (180deg=-0.196) USER MOD Single : A 10 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-2.3!) USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.12) USER MOD Single : A 14 CYS SG : rot -79:sc= 0.573 USER MOD Single : A 16 CYS SG : rot 178:sc= -1.11 USER MOD Single : A 26 THR OG1 : rot 56:sc= 0.166 USER MOD Single : A 29 SER OG : rot 180:sc= -0.053 USER MOD Single : A 36 THR OG1 : rot 96:sc= 1.22 USER MOD Single : A 38 GLN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 39 GLN : amide:sc= 1.15 K(o=1.1,f=-0.032) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 152:sc= 0.743 USER MOD Single : A 54 THR OG1 : rot 103:sc= 1.26 USER MOD Single : A 55 ASN : amide:sc= 1.22 K(o=1.2,f=-0.02) USER MOD Single : B 1 GLY N :NH3+ -133:sc= 0.153 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 MET CE :methyl -117:sc= -0.215 (180deg=-0.39) USER MOD Single : B 10 HIS : no HE2:sc= -0.232 K(o=-0.23,f=-3.3!) USER MOD Single : B 11 LYS NZ :NH3+ -176:sc= 1.1 (180deg=1.08) USER MOD Single : B 14 CYS SG : rot -81:sc= 0.527 USER MOD Single : B 16 CYS SG : rot 175:sc= -0.398! USER MOD Single : B 18 LYS NZ :NH3+ -133:sc= 0.463 (180deg=-0.273) USER MOD Single : B 26 THR OG1 : rot 140:sc= 0 USER MOD Single : B 29 SER OG : rot 180:sc= -0.236 USER MOD Single : B 36 THR OG1 : rot 97:sc= 1.19 USER MOD Single : B 38 GLN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : B 39 GLN : amide:sc= 1.06 K(o=1.1,f=-0.042) USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 54 THR OG1 : rot 80:sc= 1.09 USER MOD Single : B 55 ASN : amide:sc= 1.18 K(o=1.2,f=-0.051) USER MOD Single : B 56 GLN : amide:sc= 1.01 K(o=1,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.019 2.157 6.630 1.00 0.00 N ATOM 2 CA GLY A 1 -26.607 2.223 8.043 1.00 0.00 C ATOM 3 C GLY A 1 -25.138 2.600 8.110 1.00 0.00 C ATOM 4 O GLY A 1 -24.401 2.236 7.196 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.720 1.399 6.508 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.439 3.066 6.348 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.189 1.960 6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.209 2.958 8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.772 1.261 8.529 1.00 0.00 H new ATOM 8 N SER A 2 -24.735 3.330 9.158 1.00 0.00 N ATOM 9 CA SER A 2 -23.420 3.972 9.249 1.00 0.00 C ATOM 10 C SER A 2 -23.168 4.908 8.048 1.00 0.00 C ATOM 11 O SER A 2 -24.099 5.245 7.312 1.00 0.00 O ATOM 12 CB SER A 2 -22.330 2.903 9.459 1.00 0.00 C ATOM 13 OG SER A 2 -22.650 2.078 10.566 1.00 0.00 O ATOM 0 H SER A 2 -25.322 3.493 9.976 1.00 0.00 H new ATOM 0 HA SER A 2 -23.387 4.623 10.122 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.232 2.294 8.560 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.366 3.385 9.624 1.00 0.00 H new ATOM 0 HG SER A 2 -21.949 1.404 10.685 1.00 0.00 H new ATOM 19 N HIS A 3 -21.933 5.395 7.887 1.00 0.00 N ATOM 20 CA HIS A 3 -21.503 6.223 6.768 1.00 0.00 C ATOM 21 C HIS A 3 -20.015 5.943 6.513 1.00 0.00 C ATOM 22 O HIS A 3 -19.356 5.385 7.391 1.00 0.00 O ATOM 23 CB HIS A 3 -21.762 7.701 7.102 1.00 0.00 C ATOM 24 CG HIS A 3 -21.478 8.621 5.944 1.00 0.00 C ATOM 25 ND1 HIS A 3 -22.230 8.725 4.794 1.00 0.00 N ATOM 26 CD2 HIS A 3 -20.384 9.433 5.806 1.00 0.00 C ATOM 27 CE1 HIS A 3 -21.596 9.588 3.979 1.00 0.00 C ATOM 28 NE2 HIS A 3 -20.465 10.033 4.548 1.00 0.00 N ATOM 0 H HIS A 3 -21.185 5.215 8.557 1.00 0.00 H new ATOM 0 HA HIS A 3 -22.062 5.990 5.862 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -22.801 7.822 7.410 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -21.142 7.991 7.950 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -19.602 9.582 6.536 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -21.949 9.882 3.002 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -19.794 10.684 4.140 1.00 0.00 H new ATOM 36 N MET A 4 -19.510 6.334 5.330 1.00 0.00 N ATOM 37 CA MET A 4 -18.166 6.065 4.800 1.00 0.00 C ATOM 38 C MET A 4 -17.655 4.678 5.225 1.00 0.00 C ATOM 39 O MET A 4 -16.615 4.538 5.871 1.00 0.00 O ATOM 40 CB MET A 4 -17.209 7.220 5.145 1.00 0.00 C ATOM 41 CG MET A 4 -15.917 7.147 4.312 1.00 0.00 C ATOM 42 SD MET A 4 -14.699 8.457 4.625 1.00 0.00 S ATOM 43 CE MET A 4 -14.283 8.119 6.357 1.00 0.00 C ATOM 0 H MET A 4 -20.069 6.883 4.677 1.00 0.00 H new ATOM 0 HA MET A 4 -18.216 6.025 3.712 1.00 0.00 H new ATOM 0 HB2 MET A 4 -17.707 8.173 4.965 1.00 0.00 H new ATOM 0 HB3 MET A 4 -16.962 7.185 6.206 1.00 0.00 H new ATOM 0 HG2 MET A 4 -15.442 6.184 4.497 1.00 0.00 H new ATOM 0 HG3 MET A 4 -16.186 7.172 3.256 1.00 0.00 H new ATOM 0 HE1 MET A 4 -13.411 8.707 6.643 1.00 0.00 H new ATOM 0 HE2 MET A 4 -15.126 8.388 6.993 1.00 0.00 H new ATOM 0 HE3 MET A 4 -14.061 7.059 6.478 1.00 0.00 H new ATOM 53 N ALA A 5 -18.425 3.648 4.866 1.00 0.00 N ATOM 54 CA ALA A 5 -18.214 2.267 5.214 1.00 0.00 C ATOM 55 C ALA A 5 -18.411 1.450 3.945 1.00 0.00 C ATOM 56 O ALA A 5 -19.544 1.133 3.582 1.00 0.00 O ATOM 57 CB ALA A 5 -19.175 1.857 6.334 1.00 0.00 C ATOM 0 H ALA A 5 -19.257 3.778 4.291 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.208 2.095 5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -19.009 0.811 6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -18.998 2.479 7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -20.203 1.989 5.998 1.00 0.00 H new ATOM 63 N GLU A 6 -17.317 1.177 3.235 1.00 0.00 N ATOM 64 CA GLU A 6 -17.344 0.514 1.945 1.00 0.00 C ATOM 65 C GLU A 6 -16.622 -0.827 2.076 1.00 0.00 C ATOM 66 O GLU A 6 -15.741 -0.958 2.929 1.00 0.00 O ATOM 67 CB GLU A 6 -16.587 1.380 0.928 1.00 0.00 C ATOM 68 CG GLU A 6 -17.134 2.805 0.757 1.00 0.00 C ATOM 69 CD GLU A 6 -16.023 3.755 0.307 1.00 0.00 C ATOM 70 OE1 GLU A 6 -15.592 3.686 -0.865 1.00 0.00 O ATOM 71 OE2 GLU A 6 -15.572 4.539 1.173 1.00 0.00 O ATOM 0 H GLU A 6 -16.377 1.416 3.550 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.373 0.364 1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.542 1.442 1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.608 0.880 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.940 2.806 0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.559 3.153 1.698 1.00 0.00 H new ATOM 78 N PRO A 7 -16.927 -1.804 1.207 1.00 0.00 N ATOM 79 CA PRO A 7 -16.009 -2.897 0.962 1.00 0.00 C ATOM 80 C PRO A 7 -14.818 -2.320 0.182 1.00 0.00 C ATOM 81 O PRO A 7 -14.896 -1.228 -0.390 1.00 0.00 O ATOM 82 CB PRO A 7 -16.813 -3.901 0.131 1.00 0.00 C ATOM 83 CG PRO A 7 -17.741 -3.004 -0.691 1.00 0.00 C ATOM 84 CD PRO A 7 -17.999 -1.802 0.223 1.00 0.00 C ATOM 0 HA PRO A 7 -15.619 -3.380 1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -16.168 -4.506 -0.506 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -17.373 -4.590 0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.275 -2.700 -1.628 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -18.668 -3.517 -0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -18.003 -0.873 -0.347 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -18.972 -1.883 0.707 1.00 0.00 H new ATOM 92 N GLN A 8 -13.733 -3.085 0.073 1.00 0.00 N ATOM 93 CA GLN A 8 -12.553 -2.742 -0.682 1.00 0.00 C ATOM 94 C GLN A 8 -11.820 -1.549 -0.040 1.00 0.00 C ATOM 95 O GLN A 8 -10.786 -1.805 0.565 1.00 0.00 O ATOM 96 CB GLN A 8 -12.904 -2.711 -2.188 1.00 0.00 C ATOM 97 CG GLN A 8 -12.335 -3.909 -2.962 1.00 0.00 C ATOM 98 CD GLN A 8 -12.794 -5.268 -2.415 1.00 0.00 C ATOM 99 OE1 GLN A 8 -13.927 -5.452 -1.983 1.00 0.00 O ATOM 100 NE2 GLN A 8 -11.894 -6.238 -2.405 1.00 0.00 N ATOM 0 H GLN A 8 -13.660 -3.994 0.530 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.774 -3.503 -0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.988 -2.693 -2.302 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.522 -1.789 -2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.631 -3.829 -4.008 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.246 -3.865 -2.935 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.956 -6.067 -2.768 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.138 -7.156 -2.034 1.00 0.00 H new ATOM 109 N ARG A 9 -12.304 -0.298 -0.129 1.00 0.00 N ATOM 110 CA ARG A 9 -11.722 0.935 0.444 1.00 0.00 C ATOM 111 C ARG A 9 -11.421 0.801 1.944 1.00 0.00 C ATOM 112 O ARG A 9 -12.205 1.241 2.786 1.00 0.00 O ATOM 113 CB ARG A 9 -12.650 2.148 0.162 1.00 0.00 C ATOM 114 CG ARG A 9 -11.985 3.532 0.240 1.00 0.00 C ATOM 115 CD ARG A 9 -12.268 4.325 1.534 1.00 0.00 C ATOM 116 NE ARG A 9 -11.890 5.760 1.444 1.00 0.00 N ATOM 117 CZ ARG A 9 -12.721 6.818 1.328 1.00 0.00 C ATOM 118 NH1 ARG A 9 -14.035 6.667 1.186 1.00 0.00 N ATOM 119 NH2 ARG A 9 -12.247 8.067 1.360 1.00 0.00 N ATOM 0 H ARG A 9 -13.168 -0.105 -0.635 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.764 1.104 -0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.081 2.028 -0.832 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.476 2.122 0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.907 3.406 0.139 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.318 4.126 -0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.329 4.251 1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.724 3.865 2.359 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.892 5.969 1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.441 5.732 1.162 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.636 7.487 1.101 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.246 8.230 1.473 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.886 8.857 1.271 1.00 0.00 H new ATOM 133 N HIS A 10 -10.268 0.233 2.294 1.00 0.00 N ATOM 134 CA HIS A 10 -9.901 -0.085 3.667 1.00 0.00 C ATOM 135 C HIS A 10 -8.604 0.636 4.025 1.00 0.00 C ATOM 136 O HIS A 10 -7.865 1.096 3.154 1.00 0.00 O ATOM 137 CB HIS A 10 -9.766 -1.604 3.853 1.00 0.00 C ATOM 138 CG HIS A 10 -11.005 -2.438 3.606 1.00 0.00 C ATOM 139 ND1 HIS A 10 -11.002 -3.746 3.186 1.00 0.00 N ATOM 140 CD2 HIS A 10 -12.316 -2.043 3.654 1.00 0.00 C ATOM 141 CE1 HIS A 10 -12.269 -4.114 2.951 1.00 0.00 C ATOM 142 NE2 HIS A 10 -13.113 -3.119 3.245 1.00 0.00 N ATOM 0 H HIS A 10 -9.551 -0.023 1.615 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.687 0.257 4.340 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.980 -1.959 3.186 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.428 -1.792 4.872 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.177 -4.336 3.073 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -12.673 -1.069 3.955 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.568 -5.082 2.576 1.00 0.00 H new ATOM 150 N LYS A 11 -8.346 0.770 5.328 1.00 0.00 N ATOM 151 CA LYS A 11 -7.375 1.711 5.861 1.00 0.00 C ATOM 152 C LYS A 11 -6.593 1.047 6.987 1.00 0.00 C ATOM 153 O LYS A 11 -7.047 1.026 8.129 1.00 0.00 O ATOM 154 CB LYS A 11 -8.082 3.004 6.298 1.00 0.00 C ATOM 155 CG LYS A 11 -8.464 3.908 5.106 1.00 0.00 C ATOM 156 CD LYS A 11 -9.963 3.976 4.782 1.00 0.00 C ATOM 157 CE LYS A 11 -10.793 4.721 5.839 1.00 0.00 C ATOM 158 NZ LYS A 11 -10.474 6.165 5.914 1.00 0.00 N ATOM 0 H LYS A 11 -8.815 0.218 6.046 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.656 1.994 5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.982 2.749 6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.431 3.558 6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.108 4.918 5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.934 3.556 4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.095 4.467 3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.349 2.962 4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.852 4.600 5.612 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.622 4.266 6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.015 6.600 6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.456 6.287 6.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.727 6.623 5.015 1.00 0.00 H new ATOM 172 N ILE A 12 -5.433 0.476 6.654 1.00 0.00 N ATOM 173 CA ILE A 12 -4.528 -0.118 7.632 1.00 0.00 C ATOM 174 C ILE A 12 -3.686 1.031 8.189 1.00 0.00 C ATOM 175 O ILE A 12 -2.770 1.497 7.524 1.00 0.00 O ATOM 176 CB ILE A 12 -3.624 -1.207 7.004 1.00 0.00 C ATOM 177 CG1 ILE A 12 -4.381 -2.254 6.165 1.00 0.00 C ATOM 178 CG2 ILE A 12 -2.793 -1.868 8.120 1.00 0.00 C ATOM 179 CD1 ILE A 12 -3.433 -3.094 5.300 1.00 0.00 C ATOM 0 H ILE A 12 -5.097 0.414 5.693 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.095 -0.620 8.417 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.969 -0.711 6.288 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.944 -2.911 6.828 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.105 -1.750 5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.152 -2.637 7.689 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.176 -1.114 8.610 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.462 -2.321 8.852 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.010 -3.819 4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.889 -2.441 4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.725 -3.620 5.941 1.00 0.00 H new ATOM 191 N LEU A 13 -3.982 1.526 9.387 1.00 0.00 N ATOM 192 CA LEU A 13 -3.105 2.467 10.060 1.00 0.00 C ATOM 193 C LEU A 13 -1.803 1.758 10.423 1.00 0.00 C ATOM 194 O LEU A 13 -1.768 0.901 11.304 1.00 0.00 O ATOM 195 CB LEU A 13 -3.795 3.136 11.250 1.00 0.00 C ATOM 196 CG LEU A 13 -2.994 4.367 11.732 1.00 0.00 C ATOM 197 CD1 LEU A 13 -3.971 5.406 12.283 1.00 0.00 C ATOM 198 CD2 LEU A 13 -1.948 4.033 12.805 1.00 0.00 C ATOM 0 H LEU A 13 -4.825 1.288 9.909 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.859 3.289 9.388 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.802 3.441 10.967 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.896 2.421 12.066 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.446 4.752 10.872 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.417 6.280 12.626 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.667 5.703 11.499 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.526 4.977 13.117 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.423 4.943 13.097 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.444 3.605 13.676 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.233 3.314 12.405 1.00 0.00 H new ATOM 210 N CYS A 14 -0.747 2.133 9.710 1.00 0.00 N ATOM 211 CA CYS A 14 0.624 1.701 9.867 1.00 0.00 C ATOM 212 C CYS A 14 1.458 2.941 10.235 1.00 0.00 C ATOM 213 O CYS A 14 0.926 4.048 10.376 1.00 0.00 O ATOM 214 CB CYS A 14 1.038 1.083 8.519 1.00 0.00 C ATOM 215 SG CYS A 14 2.639 0.224 8.538 1.00 0.00 S ATOM 0 H CYS A 14 -0.843 2.802 8.946 1.00 0.00 H new ATOM 0 HA CYS A 14 0.769 0.960 10.653 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.267 0.379 8.205 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.073 1.872 7.768 1.00 0.00 H new ATOM 0 HG CYS A 14 3.600 1.096 8.464 1.00 0.00 H new ATOM 221 N VAL A 15 2.777 2.777 10.343 1.00 0.00 N ATOM 222 CA VAL A 15 3.714 3.887 10.236 1.00 0.00 C ATOM 223 C VAL A 15 4.489 3.754 8.924 1.00 0.00 C ATOM 224 O VAL A 15 4.581 2.666 8.351 1.00 0.00 O ATOM 225 CB VAL A 15 4.649 3.992 11.459 1.00 0.00 C ATOM 226 CG1 VAL A 15 3.860 4.374 12.719 1.00 0.00 C ATOM 227 CG2 VAL A 15 5.461 2.712 11.709 1.00 0.00 C ATOM 0 H VAL A 15 3.221 1.873 10.506 1.00 0.00 H new ATOM 0 HA VAL A 15 3.153 4.821 10.226 1.00 0.00 H new ATOM 0 HB VAL A 15 5.364 4.781 11.228 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.540 4.442 13.568 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.374 5.337 12.566 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.105 3.614 12.920 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.098 2.850 12.582 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.781 1.878 11.884 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.080 2.498 10.838 1.00 0.00 H new ATOM 237 N CYS A 16 5.066 4.862 8.460 1.00 0.00 N ATOM 238 CA CYS A 16 6.094 4.853 7.438 1.00 0.00 C ATOM 239 C CYS A 16 7.338 4.190 8.019 1.00 0.00 C ATOM 240 O CYS A 16 7.730 4.533 9.134 1.00 0.00 O ATOM 241 CB CYS A 16 6.447 6.290 7.028 1.00 0.00 C ATOM 242 SG CYS A 16 7.361 6.159 5.460 1.00 0.00 S ATOM 0 H CYS A 16 4.826 5.796 8.791 1.00 0.00 H new ATOM 0 HA CYS A 16 5.734 4.311 6.563 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.547 6.892 6.905 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.053 6.775 7.793 1.00 0.00 H new ATOM 0 HG CYS A 16 7.647 7.350 5.023 1.00 0.00 H new ATOM 247 N CYS A 17 8.009 3.341 7.235 1.00 0.00 N ATOM 248 CA CYS A 17 9.286 2.737 7.611 1.00 0.00 C ATOM 249 C CYS A 17 10.295 3.776 8.120 1.00 0.00 C ATOM 250 O CYS A 17 10.966 3.555 9.124 1.00 0.00 O ATOM 251 CB CYS A 17 9.833 1.999 6.383 1.00 0.00 C ATOM 252 SG CYS A 17 11.530 1.411 6.631 1.00 0.00 S ATOM 0 H CYS A 17 7.677 3.053 6.315 1.00 0.00 H new ATOM 0 HA CYS A 17 9.126 2.044 8.437 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.187 1.151 6.154 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.804 2.664 5.520 1.00 0.00 H new ATOM 0 HG CYS A 17 11.733 0.353 5.904 1.00 0.00 H new ATOM 258 N LYS A 18 10.417 4.900 7.405 1.00 0.00 N ATOM 259 CA LYS A 18 11.568 5.794 7.507 1.00 0.00 C ATOM 260 C LYS A 18 11.229 7.206 7.963 1.00 0.00 C ATOM 261 O LYS A 18 12.112 7.906 8.447 1.00 0.00 O ATOM 262 CB LYS A 18 12.333 5.778 6.181 1.00 0.00 C ATOM 263 CG LYS A 18 11.474 6.032 4.922 1.00 0.00 C ATOM 264 CD LYS A 18 12.319 5.888 3.647 1.00 0.00 C ATOM 265 CE LYS A 18 12.314 4.467 3.056 1.00 0.00 C ATOM 266 NZ LYS A 18 12.835 3.414 3.958 1.00 0.00 N ATOM 0 H LYS A 18 9.714 5.214 6.736 1.00 0.00 H new ATOM 0 HA LYS A 18 12.207 5.412 8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.118 6.533 6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.826 4.811 6.076 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.643 5.327 4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.042 7.032 4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.948 6.585 2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.347 6.176 3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.293 4.210 2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.907 4.468 2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.793 2.493 3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.821 3.629 4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.257 3.380 4.822 1.00 0.00 H new ATOM 280 N CYS A 19 9.964 7.612 7.866 1.00 0.00 N ATOM 281 CA CYS A 19 9.473 8.779 8.578 1.00 0.00 C ATOM 282 C CYS A 19 9.125 8.436 10.027 1.00 0.00 C ATOM 283 O CYS A 19 8.987 9.355 10.828 1.00 0.00 O ATOM 284 CB CYS A 19 8.249 9.360 7.898 1.00 0.00 C ATOM 285 SG CYS A 19 8.221 9.366 6.087 1.00 0.00 S ATOM 0 H CYS A 19 9.260 7.143 7.296 1.00 0.00 H new ATOM 0 HA CYS A 19 10.273 9.519 8.568 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.377 8.807 8.246 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.131 10.388 8.239 1.00 0.00 H new ATOM 290 N ASP A 20 8.932 7.137 10.332 1.00 0.00 N ATOM 291 CA ASP A 20 8.332 6.622 11.563 1.00 0.00 C ATOM 292 C ASP A 20 7.125 7.475 11.982 1.00 0.00 C ATOM 293 O ASP A 20 7.036 8.010 13.086 1.00 0.00 O ATOM 294 CB ASP A 20 9.407 6.441 12.639 1.00 0.00 C ATOM 295 CG ASP A 20 8.859 5.747 13.894 1.00 0.00 C ATOM 296 OD1 ASP A 20 7.929 4.919 13.742 1.00 0.00 O ATOM 297 OD2 ASP A 20 9.418 6.007 14.983 1.00 0.00 O ATOM 0 H ASP A 20 9.205 6.391 9.693 1.00 0.00 H new ATOM 0 HA ASP A 20 7.921 5.627 11.394 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.231 5.855 12.232 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.813 7.415 12.912 1.00 0.00 H new ATOM 302 N GLY A 21 6.208 7.654 11.024 1.00 0.00 N ATOM 303 CA GLY A 21 5.059 8.536 11.125 1.00 0.00 C ATOM 304 C GLY A 21 3.811 7.835 10.621 1.00 0.00 C ATOM 305 O GLY A 21 3.900 6.973 9.753 1.00 0.00 O ATOM 0 H GLY A 21 6.255 7.167 10.129 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.918 8.844 12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.235 9.442 10.545 1.00 0.00 H new ATOM 309 N ARG A 22 2.652 8.221 11.155 1.00 0.00 N ATOM 310 CA ARG A 22 1.346 7.603 10.968 1.00 0.00 C ATOM 311 C ARG A 22 0.987 7.622 9.490 1.00 0.00 C ATOM 312 O ARG A 22 0.839 8.708 8.931 1.00 0.00 O ATOM 313 CB ARG A 22 0.351 8.402 11.834 1.00 0.00 C ATOM 314 CG ARG A 22 -1.123 7.968 11.785 1.00 0.00 C ATOM 315 CD ARG A 22 -1.964 8.662 10.697 1.00 0.00 C ATOM 316 NE ARG A 22 -3.400 8.583 11.027 1.00 0.00 N ATOM 317 CZ ARG A 22 -4.435 8.684 10.180 1.00 0.00 C ATOM 318 NH1 ARG A 22 -4.297 9.126 8.934 1.00 0.00 N ATOM 319 NH2 ARG A 22 -5.652 8.303 10.553 1.00 0.00 N ATOM 0 H ARG A 22 2.601 9.031 11.773 1.00 0.00 H new ATOM 0 HA ARG A 22 1.329 6.558 11.276 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.685 8.349 12.870 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.406 9.449 11.535 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.165 6.891 11.625 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.578 8.164 12.756 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.662 9.705 10.606 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.780 8.192 9.731 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.631 8.435 12.009 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.378 9.404 8.590 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.110 9.187 8.322 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.805 7.930 11.490 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.433 8.383 9.902 1.00 0.00 H new ATOM 333 N ILE A 23 0.787 6.448 8.881 1.00 0.00 N ATOM 334 CA ILE A 23 0.178 6.362 7.564 1.00 0.00 C ATOM 335 C ILE A 23 -1.048 5.463 7.663 1.00 0.00 C ATOM 336 O ILE A 23 -0.954 4.281 7.978 1.00 0.00 O ATOM 337 CB ILE A 23 1.115 5.862 6.442 1.00 0.00 C ATOM 338 CG1 ILE A 23 2.481 6.575 6.396 1.00 0.00 C ATOM 339 CG2 ILE A 23 0.365 6.107 5.107 1.00 0.00 C ATOM 340 CD1 ILE A 23 3.419 5.926 5.371 1.00 0.00 C ATOM 0 H ILE A 23 1.041 5.547 9.286 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.085 7.379 7.273 1.00 0.00 H new ATOM 0 HB ILE A 23 1.342 4.812 6.625 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.336 7.626 6.144 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.942 6.545 7.383 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.984 5.771 4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.573 5.552 5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.156 7.171 4.997 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.373 6.454 5.365 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.584 4.882 5.638 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.968 5.980 4.380 1.00 0.00 H new ATOM 352 N GLU A 24 -2.203 6.031 7.342 1.00 0.00 N ATOM 353 CA GLU A 24 -3.444 5.319 7.104 1.00 0.00 C ATOM 354 C GLU A 24 -3.387 4.697 5.703 1.00 0.00 C ATOM 355 O GLU A 24 -3.754 5.335 4.710 1.00 0.00 O ATOM 356 CB GLU A 24 -4.540 6.355 7.321 1.00 0.00 C ATOM 357 CG GLU A 24 -5.969 5.859 7.168 1.00 0.00 C ATOM 358 CD GLU A 24 -6.997 6.972 7.448 1.00 0.00 C ATOM 359 OE1 GLU A 24 -6.632 7.984 8.105 1.00 0.00 O ATOM 360 OE2 GLU A 24 -8.162 6.789 7.030 1.00 0.00 O ATOM 0 H GLU A 24 -2.301 7.041 7.237 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.635 4.478 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.426 6.770 8.322 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.383 7.173 6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.114 5.477 6.158 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.140 5.027 7.851 1.00 0.00 H new ATOM 367 N LEU A 25 -2.851 3.470 5.623 1.00 0.00 N ATOM 368 CA LEU A 25 -2.582 2.775 4.368 1.00 0.00 C ATOM 369 C LEU A 25 -3.913 2.446 3.718 1.00 0.00 C ATOM 370 O LEU A 25 -4.571 1.467 4.084 1.00 0.00 O ATOM 371 CB LEU A 25 -1.786 1.472 4.540 1.00 0.00 C ATOM 372 CG LEU A 25 -0.467 1.530 5.319 1.00 0.00 C ATOM 373 CD1 LEU A 25 0.179 0.139 5.330 1.00 0.00 C ATOM 374 CD2 LEU A 25 0.478 2.536 4.683 1.00 0.00 C ATOM 0 H LEU A 25 -2.590 2.928 6.447 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.970 3.438 3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.434 0.748 5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.570 1.080 3.546 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.670 1.845 6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.117 0.178 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.495 -0.572 5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.375 -0.179 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.410 2.566 5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.685 2.241 3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.017 3.524 4.691 1.00 0.00 H new ATOM 386 N THR A 26 -4.322 3.298 2.788 1.00 0.00 N ATOM 387 CA THR A 26 -5.598 3.160 2.134 1.00 0.00 C ATOM 388 C THR A 26 -5.410 2.195 0.960 1.00 0.00 C ATOM 389 O THR A 26 -4.974 2.587 -0.123 1.00 0.00 O ATOM 390 CB THR A 26 -6.161 4.537 1.789 1.00 0.00 C ATOM 391 OG1 THR A 26 -6.182 5.326 2.970 1.00 0.00 O ATOM 392 CG2 THR A 26 -7.595 4.389 1.262 1.00 0.00 C ATOM 0 H THR A 26 -3.774 4.099 2.473 1.00 0.00 H new ATOM 0 HA THR A 26 -6.362 2.722 2.777 1.00 0.00 H new ATOM 0 HB THR A 26 -5.541 5.010 1.027 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.282 5.362 3.355 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.996 5.372 1.016 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.592 3.765 0.368 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.218 3.924 2.027 1.00 0.00 H new ATOM 400 N VAL A 27 -5.689 0.912 1.202 1.00 0.00 N ATOM 401 CA VAL A 27 -5.553 -0.151 0.201 1.00 0.00 C ATOM 402 C VAL A 27 -6.974 -0.655 -0.044 1.00 0.00 C ATOM 403 O VAL A 27 -7.806 -0.693 0.868 1.00 0.00 O ATOM 404 CB VAL A 27 -4.529 -1.238 0.669 1.00 0.00 C ATOM 405 CG1 VAL A 27 -3.218 -0.570 1.110 1.00 0.00 C ATOM 406 CG2 VAL A 27 -5.058 -2.028 1.883 1.00 0.00 C ATOM 0 H VAL A 27 -6.019 0.578 2.107 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.129 0.193 -0.742 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.372 -1.910 -0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.511 -1.334 1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.794 -0.014 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.418 0.113 1.936 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.321 -2.774 2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.237 -1.344 2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.990 -2.525 1.615 1.00 0.00 H new ATOM 416 N GLU A 28 -7.288 -0.974 -1.296 1.00 0.00 N ATOM 417 CA GLU A 28 -8.659 -1.184 -1.718 1.00 0.00 C ATOM 418 C GLU A 28 -8.723 -2.691 -1.970 1.00 0.00 C ATOM 419 O GLU A 28 -8.324 -3.210 -3.009 1.00 0.00 O ATOM 420 CB GLU A 28 -8.951 -0.189 -2.846 1.00 0.00 C ATOM 421 CG GLU A 28 -10.396 0.315 -2.879 1.00 0.00 C ATOM 422 CD GLU A 28 -10.901 0.648 -4.284 1.00 0.00 C ATOM 423 OE1 GLU A 28 -10.631 -0.160 -5.207 1.00 0.00 O ATOM 424 OE2 GLU A 28 -11.548 1.709 -4.434 1.00 0.00 O ATOM 0 H GLU A 28 -6.600 -1.093 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.471 -0.966 -1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.282 0.666 -2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.721 -0.662 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.045 -0.442 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.475 1.205 -2.254 1.00 0.00 H new ATOM 431 N SER A 29 -9.047 -3.425 -0.904 1.00 0.00 N ATOM 432 CA SER A 29 -8.743 -4.836 -0.759 1.00 0.00 C ATOM 433 C SER A 29 -9.830 -5.560 0.025 1.00 0.00 C ATOM 434 O SER A 29 -10.475 -4.926 0.845 1.00 0.00 O ATOM 435 CB SER A 29 -7.445 -4.858 0.057 1.00 0.00 C ATOM 436 OG SER A 29 -6.423 -4.073 -0.532 1.00 0.00 O ATOM 0 H SER A 29 -9.541 -3.037 -0.100 1.00 0.00 H new ATOM 0 HA SER A 29 -8.665 -5.330 -1.727 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.646 -4.492 1.064 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.098 -5.887 0.155 1.00 0.00 H new ATOM 0 HG SER A 29 -5.617 -4.116 0.023 1.00 0.00 H new ATOM 442 N SER A 30 -10.040 -6.868 -0.157 1.00 0.00 N ATOM 443 CA SER A 30 -11.040 -7.584 0.645 1.00 0.00 C ATOM 444 C SER A 30 -10.564 -7.652 2.102 1.00 0.00 C ATOM 445 O SER A 30 -9.371 -7.525 2.348 1.00 0.00 O ATOM 446 CB SER A 30 -11.272 -8.978 0.057 1.00 0.00 C ATOM 447 OG SER A 30 -11.623 -8.864 -1.311 1.00 0.00 O ATOM 0 H SER A 30 -9.543 -7.443 -0.837 1.00 0.00 H new ATOM 0 HA SER A 30 -11.992 -7.054 0.623 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.371 -9.583 0.163 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.064 -9.488 0.605 1.00 0.00 H new ATOM 0 HG SER A 30 -11.770 -9.757 -1.687 1.00 0.00 H new ATOM 453 N ALA A 31 -11.452 -7.871 3.081 1.00 0.00 N ATOM 454 CA ALA A 31 -11.057 -7.839 4.495 1.00 0.00 C ATOM 455 C ALA A 31 -9.988 -8.887 4.817 1.00 0.00 C ATOM 456 O ALA A 31 -8.985 -8.585 5.461 1.00 0.00 O ATOM 457 CB ALA A 31 -12.279 -8.070 5.388 1.00 0.00 C ATOM 0 H ALA A 31 -12.440 -8.070 2.922 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.633 -6.854 4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.975 -8.044 6.434 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.016 -7.288 5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.717 -9.042 5.161 1.00 0.00 H new ATOM 463 N GLU A 32 -10.201 -10.126 4.376 1.00 0.00 N ATOM 464 CA GLU A 32 -9.296 -11.222 4.684 1.00 0.00 C ATOM 465 C GLU A 32 -8.047 -11.192 3.798 1.00 0.00 C ATOM 466 O GLU A 32 -6.982 -11.673 4.185 1.00 0.00 O ATOM 467 CB GLU A 32 -10.053 -12.540 4.526 1.00 0.00 C ATOM 468 CG GLU A 32 -9.650 -13.498 5.651 1.00 0.00 C ATOM 469 CD GLU A 32 -10.349 -14.851 5.527 1.00 0.00 C ATOM 470 OE1 GLU A 32 -11.528 -14.917 5.942 1.00 0.00 O ATOM 471 OE2 GLU A 32 -9.695 -15.795 5.034 1.00 0.00 O ATOM 0 H GLU A 32 -11.000 -10.393 3.800 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.948 -11.119 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.128 -12.360 4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.830 -12.986 3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.570 -13.645 5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.895 -13.050 6.614 1.00 0.00 H new ATOM 478 N ASP A 33 -8.159 -10.576 2.621 1.00 0.00 N ATOM 479 CA ASP A 33 -7.041 -10.294 1.741 1.00 0.00 C ATOM 480 C ASP A 33 -6.172 -9.190 2.357 1.00 0.00 C ATOM 481 O ASP A 33 -4.954 -9.317 2.423 1.00 0.00 O ATOM 482 CB ASP A 33 -7.588 -9.926 0.359 1.00 0.00 C ATOM 483 CG ASP A 33 -6.497 -9.964 -0.702 1.00 0.00 C ATOM 484 OD1 ASP A 33 -5.563 -9.147 -0.583 1.00 0.00 O ATOM 485 OD2 ASP A 33 -6.635 -10.783 -1.637 1.00 0.00 O ATOM 0 H ASP A 33 -9.053 -10.255 2.251 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.400 -11.168 1.620 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.386 -10.617 0.087 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.028 -8.929 0.394 1.00 0.00 H new ATOM 490 N LEU A 34 -6.806 -8.166 2.943 1.00 0.00 N ATOM 491 CA LEU A 34 -6.157 -7.119 3.732 1.00 0.00 C ATOM 492 C LEU A 34 -5.453 -7.735 4.928 1.00 0.00 C ATOM 493 O LEU A 34 -4.320 -7.380 5.237 1.00 0.00 O ATOM 494 CB LEU A 34 -7.176 -6.045 4.148 1.00 0.00 C ATOM 495 CG LEU A 34 -6.678 -5.067 5.237 1.00 0.00 C ATOM 496 CD1 LEU A 34 -7.303 -3.697 4.958 1.00 0.00 C ATOM 497 CD2 LEU A 34 -7.098 -5.480 6.658 1.00 0.00 C ATOM 0 H LEU A 34 -7.816 -8.043 2.877 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.402 -6.622 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.459 -5.471 3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.078 -6.540 4.509 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.589 -5.060 5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.969 -2.984 5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.996 -3.351 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.389 -3.779 4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.718 -4.753 7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.186 -5.516 6.720 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.689 -6.464 6.887 1.00 0.00 H new ATOM 509 N ARG A 35 -6.118 -8.672 5.593 1.00 0.00 N ATOM 510 CA ARG A 35 -5.565 -9.437 6.703 1.00 0.00 C ATOM 511 C ARG A 35 -4.329 -10.157 6.205 1.00 0.00 C ATOM 512 O ARG A 35 -3.281 -10.005 6.815 1.00 0.00 O ATOM 513 CB ARG A 35 -6.569 -10.417 7.331 1.00 0.00 C ATOM 514 CG ARG A 35 -5.989 -11.026 8.619 1.00 0.00 C ATOM 515 CD ARG A 35 -6.959 -11.976 9.326 1.00 0.00 C ATOM 516 NE ARG A 35 -6.322 -12.567 10.519 1.00 0.00 N ATOM 517 CZ ARG A 35 -6.936 -13.032 11.617 1.00 0.00 C ATOM 518 NH1 ARG A 35 -8.268 -13.043 11.703 1.00 0.00 N ATOM 519 NH2 ARG A 35 -6.207 -13.488 12.638 1.00 0.00 N ATOM 0 H ARG A 35 -7.080 -8.927 5.370 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.310 -8.745 7.506 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.502 -9.899 7.554 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.806 -11.209 6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.073 -11.565 8.378 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.715 -10.222 9.302 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.860 -11.436 9.617 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.268 -12.766 8.642 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.304 -12.629 10.507 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.832 -12.695 10.928 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.722 -13.400 12.544 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.189 -13.482 12.581 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.668 -13.843 13.476 1.00 0.00 H new ATOM 533 N THR A 36 -4.457 -10.913 5.121 1.00 0.00 N ATOM 534 CA THR A 36 -3.382 -11.661 4.477 1.00 0.00 C ATOM 535 C THR A 36 -2.202 -10.732 4.164 1.00 0.00 C ATOM 536 O THR A 36 -1.080 -10.993 4.605 1.00 0.00 O ATOM 537 CB THR A 36 -3.927 -12.392 3.236 1.00 0.00 C ATOM 538 OG1 THR A 36 -5.012 -13.219 3.614 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.864 -13.282 2.584 1.00 0.00 C ATOM 0 H THR A 36 -5.352 -11.027 4.645 1.00 0.00 H new ATOM 0 HA THR A 36 -3.000 -12.426 5.153 1.00 0.00 H new ATOM 0 HB THR A 36 -4.238 -11.630 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.855 -12.745 3.457 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.290 -13.779 1.713 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.017 -12.670 2.274 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.527 -14.031 3.301 1.00 0.00 H new ATOM 547 N LEU A 37 -2.442 -9.616 3.468 1.00 0.00 N ATOM 548 CA LEU A 37 -1.381 -8.675 3.137 1.00 0.00 C ATOM 549 C LEU A 37 -0.804 -8.031 4.413 1.00 0.00 C ATOM 550 O LEU A 37 0.395 -7.775 4.497 1.00 0.00 O ATOM 551 CB LEU A 37 -1.811 -7.709 2.010 1.00 0.00 C ATOM 552 CG LEU A 37 -2.223 -6.272 2.402 1.00 0.00 C ATOM 553 CD1 LEU A 37 -1.021 -5.302 2.271 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.381 -5.814 1.499 1.00 0.00 C ATOM 0 H LEU A 37 -3.364 -9.347 3.125 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.535 -9.206 2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.988 -7.638 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.649 -8.164 1.482 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.548 -6.265 3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.333 -4.296 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.216 -5.629 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.668 -5.298 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.676 -4.801 1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.059 -5.831 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.230 -6.486 1.627 1.00 0.00 H new ATOM 566 N GLN A 38 -1.617 -7.865 5.463 1.00 0.00 N ATOM 567 CA GLN A 38 -1.146 -7.427 6.764 1.00 0.00 C ATOM 568 C GLN A 38 -0.317 -8.532 7.449 1.00 0.00 C ATOM 569 O GLN A 38 0.576 -8.198 8.219 1.00 0.00 O ATOM 570 CB GLN A 38 -2.326 -6.933 7.613 1.00 0.00 C ATOM 571 CG GLN A 38 -1.907 -6.326 8.962 1.00 0.00 C ATOM 572 CD GLN A 38 -3.050 -5.578 9.652 1.00 0.00 C ATOM 573 OE1 GLN A 38 -2.830 -4.602 10.356 1.00 0.00 O ATOM 574 NE2 GLN A 38 -4.294 -6.012 9.481 1.00 0.00 N ATOM 0 H GLN A 38 -2.622 -8.034 5.425 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.471 -6.580 6.641 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.882 -6.186 7.046 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.005 -7.766 7.795 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.549 -7.120 9.618 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.073 -5.642 8.805 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.474 -6.826 8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.069 -5.531 9.937 1.00 0.00 H new ATOM 583 N GLN A 39 -0.541 -9.826 7.160 1.00 0.00 N ATOM 584 CA GLN A 39 0.334 -10.919 7.577 1.00 0.00 C ATOM 585 C GLN A 39 1.680 -10.820 6.856 1.00 0.00 C ATOM 586 O GLN A 39 2.703 -11.098 7.473 1.00 0.00 O ATOM 587 CB GLN A 39 -0.256 -12.324 7.384 1.00 0.00 C ATOM 588 CG GLN A 39 -1.674 -12.568 7.915 1.00 0.00 C ATOM 589 CD GLN A 39 -1.969 -11.986 9.299 1.00 0.00 C ATOM 590 OE1 GLN A 39 -1.704 -12.596 10.326 1.00 0.00 O ATOM 591 NE2 GLN A 39 -2.581 -10.811 9.347 1.00 0.00 N ATOM 0 H GLN A 39 -1.349 -10.139 6.622 1.00 0.00 H new ATOM 0 HA GLN A 39 0.460 -10.795 8.653 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.251 -12.549 6.317 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.412 -13.040 7.863 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.386 -12.149 7.204 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.851 -13.643 7.947 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.796 -10.312 8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.836 -10.405 10.247 1.00 0.00 H new ATOM 600 N LEU A 40 1.704 -10.383 5.586 1.00 0.00 N ATOM 601 CA LEU A 40 2.961 -10.035 4.912 1.00 0.00 C ATOM 602 C LEU A 40 3.691 -8.938 5.695 1.00 0.00 C ATOM 603 O LEU A 40 4.887 -9.078 5.969 1.00 0.00 O ATOM 604 CB LEU A 40 2.762 -9.622 3.443 1.00 0.00 C ATOM 605 CG LEU A 40 1.848 -10.513 2.581 1.00 0.00 C ATOM 606 CD1 LEU A 40 1.500 -9.815 1.260 1.00 0.00 C ATOM 607 CD2 LEU A 40 2.433 -11.893 2.282 1.00 0.00 C ATOM 0 H LEU A 40 0.871 -10.264 5.010 1.00 0.00 H new ATOM 0 HA LEU A 40 3.575 -10.936 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.359 -8.609 3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.742 -9.582 2.967 1.00 0.00 H new ATOM 0 HG LEU A 40 0.949 -10.670 3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.854 -10.461 0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.983 -8.878 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.415 -9.609 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.731 -12.461 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.374 -11.780 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.611 -12.423 3.218 1.00 0.00 H new ATOM 619 N PHE A 41 2.984 -7.866 6.091 1.00 0.00 N ATOM 620 CA PHE A 41 3.556 -6.824 6.959 1.00 0.00 C ATOM 621 C PHE A 41 4.072 -7.418 8.275 1.00 0.00 C ATOM 622 O PHE A 41 5.190 -7.129 8.692 1.00 0.00 O ATOM 623 CB PHE A 41 2.565 -5.675 7.211 1.00 0.00 C ATOM 624 CG PHE A 41 2.550 -4.583 6.153 1.00 0.00 C ATOM 625 CD1 PHE A 41 2.118 -4.855 4.840 1.00 0.00 C ATOM 626 CD2 PHE A 41 2.964 -3.278 6.484 1.00 0.00 C ATOM 627 CE1 PHE A 41 2.112 -3.842 3.867 1.00 0.00 C ATOM 628 CE2 PHE A 41 2.944 -2.260 5.515 1.00 0.00 C ATOM 629 CZ PHE A 41 2.525 -2.544 4.204 1.00 0.00 C ATOM 0 H PHE A 41 2.014 -7.699 5.823 1.00 0.00 H new ATOM 0 HA PHE A 41 4.408 -6.398 6.430 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.562 -6.094 7.291 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.798 -5.221 8.174 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.789 -5.850 4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.298 -3.059 7.487 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.790 -4.062 2.860 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.251 -1.259 5.778 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.521 -1.764 3.457 1.00 0.00 H new ATOM 639 N LEU A 42 3.276 -8.285 8.905 1.00 0.00 N ATOM 640 CA LEU A 42 3.631 -9.020 10.118 1.00 0.00 C ATOM 641 C LEU A 42 4.881 -9.887 9.917 1.00 0.00 C ATOM 642 O LEU A 42 5.638 -10.070 10.868 1.00 0.00 O ATOM 643 CB LEU A 42 2.428 -9.883 10.548 1.00 0.00 C ATOM 644 CG LEU A 42 1.879 -9.582 11.948 1.00 0.00 C ATOM 645 CD1 LEU A 42 0.468 -10.179 12.074 1.00 0.00 C ATOM 646 CD2 LEU A 42 2.791 -10.151 13.036 1.00 0.00 C ATOM 0 H LEU A 42 2.336 -8.501 8.573 1.00 0.00 H new ATOM 0 HA LEU A 42 3.871 -8.303 10.903 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.626 -9.747 9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.720 -10.932 10.507 1.00 0.00 H new ATOM 0 HG LEU A 42 1.838 -8.501 12.083 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.071 -9.969 13.067 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.184 -9.735 11.322 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.514 -11.257 11.923 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.375 -9.921 14.017 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.867 -11.232 12.918 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.782 -9.706 12.949 1.00 0.00 H new ATOM 658 N SER A 43 5.093 -10.421 8.706 1.00 0.00 N ATOM 659 CA SER A 43 6.269 -11.192 8.346 1.00 0.00 C ATOM 660 C SER A 43 7.484 -10.265 8.226 1.00 0.00 C ATOM 661 O SER A 43 8.423 -10.386 9.014 1.00 0.00 O ATOM 662 CB SER A 43 5.988 -11.973 7.053 1.00 0.00 C ATOM 663 OG SER A 43 6.971 -12.960 6.826 1.00 0.00 O ATOM 0 H SER A 43 4.429 -10.321 7.938 1.00 0.00 H new ATOM 0 HA SER A 43 6.501 -11.919 9.124 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.006 -12.442 7.115 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.959 -11.284 6.209 1.00 0.00 H new ATOM 0 HG SER A 43 6.766 -13.442 5.998 1.00 0.00 H new ATOM 669 N THR A 44 7.481 -9.353 7.242 1.00 0.00 N ATOM 670 CA THR A 44 8.601 -8.472 6.934 1.00 0.00 C ATOM 671 C THR A 44 8.194 -7.097 6.395 1.00 0.00 C ATOM 672 O THR A 44 9.004 -6.175 6.449 1.00 0.00 O ATOM 673 CB THR A 44 9.562 -9.132 5.914 1.00 0.00 C ATOM 674 OG1 THR A 44 8.935 -9.363 4.666 1.00 0.00 O ATOM 675 CG2 THR A 44 10.145 -10.468 6.378 1.00 0.00 C ATOM 0 H THR A 44 6.679 -9.210 6.629 1.00 0.00 H new ATOM 0 HA THR A 44 9.097 -8.313 7.892 1.00 0.00 H new ATOM 0 HB THR A 44 10.371 -8.408 5.819 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.575 -9.778 4.051 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.807 -10.863 5.607 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.709 -10.319 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.335 -11.175 6.559 1.00 0.00 H new ATOM 683 N LEU A 45 7.009 -6.981 5.789 1.00 0.00 N ATOM 684 CA LEU A 45 6.682 -5.878 4.891 1.00 0.00 C ATOM 685 C LEU A 45 6.462 -4.552 5.620 1.00 0.00 C ATOM 686 O LEU A 45 6.015 -4.510 6.767 1.00 0.00 O ATOM 687 CB LEU A 45 5.435 -6.263 4.074 1.00 0.00 C ATOM 688 CG LEU A 45 5.715 -6.355 2.582 1.00 0.00 C ATOM 689 CD1 LEU A 45 6.648 -7.542 2.310 1.00 0.00 C ATOM 690 CD2 LEU A 45 4.391 -6.480 1.819 1.00 0.00 C ATOM 0 H LEU A 45 6.250 -7.652 5.910 1.00 0.00 H new ATOM 0 HA LEU A 45 7.536 -5.716 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.056 -7.222 4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.651 -5.526 4.247 1.00 0.00 H new ATOM 0 HG LEU A 45 6.215 -5.451 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.849 -7.609 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.585 -7.399 2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.173 -8.463 2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.592 -6.546 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.866 -7.378 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.772 -5.605 2.019 1.00 0.00 H new ATOM 702 N SER A 46 6.697 -3.457 4.899 1.00 0.00 N ATOM 703 CA SER A 46 6.525 -2.094 5.356 1.00 0.00 C ATOM 704 C SER A 46 5.926 -1.245 4.226 1.00 0.00 C ATOM 705 O SER A 46 5.720 -1.702 3.096 1.00 0.00 O ATOM 706 CB SER A 46 7.868 -1.561 5.896 1.00 0.00 C ATOM 707 OG SER A 46 8.999 -2.069 5.208 1.00 0.00 O ATOM 0 H SER A 46 7.028 -3.507 3.935 1.00 0.00 H new ATOM 0 HA SER A 46 5.818 -2.043 6.184 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.871 -0.473 5.829 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.952 -1.815 6.953 1.00 0.00 H new ATOM 0 HG SER A 46 9.730 -1.417 5.254 1.00 0.00 H new ATOM 713 N PHE A 47 5.617 0.016 4.531 1.00 0.00 N ATOM 714 CA PHE A 47 5.123 0.971 3.557 1.00 0.00 C ATOM 715 C PHE A 47 5.958 2.235 3.636 1.00 0.00 C ATOM 716 O PHE A 47 6.537 2.565 4.679 1.00 0.00 O ATOM 717 CB PHE A 47 3.643 1.278 3.786 1.00 0.00 C ATOM 718 CG PHE A 47 2.999 2.010 2.623 1.00 0.00 C ATOM 719 CD1 PHE A 47 2.477 1.297 1.527 1.00 0.00 C ATOM 720 CD2 PHE A 47 2.890 3.412 2.653 1.00 0.00 C ATOM 721 CE1 PHE A 47 1.853 1.989 0.473 1.00 0.00 C ATOM 722 CE2 PHE A 47 2.246 4.099 1.612 1.00 0.00 C ATOM 723 CZ PHE A 47 1.741 3.389 0.512 1.00 0.00 C ATOM 0 H PHE A 47 5.706 0.400 5.472 1.00 0.00 H new ATOM 0 HA PHE A 47 5.211 0.542 2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.108 0.345 3.961 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.539 1.880 4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.555 0.220 1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.305 3.964 3.483 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.458 1.442 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.139 5.173 1.658 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.268 3.917 -0.302 1.00 0.00 H new ATOM 733 N VAL A 48 5.999 2.928 2.501 1.00 0.00 N ATOM 734 CA VAL A 48 6.873 4.032 2.224 1.00 0.00 C ATOM 735 C VAL A 48 6.047 5.036 1.417 1.00 0.00 C ATOM 736 O VAL A 48 5.794 4.837 0.231 1.00 0.00 O ATOM 737 CB VAL A 48 8.162 3.459 1.592 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.000 4.408 0.745 1.00 0.00 C ATOM 739 CG2 VAL A 48 9.097 2.985 2.713 1.00 0.00 C ATOM 0 H VAL A 48 5.384 2.711 1.716 1.00 0.00 H new ATOM 0 HA VAL A 48 7.238 4.592 3.085 1.00 0.00 H new ATOM 0 HB VAL A 48 7.791 2.679 0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.874 3.880 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.403 4.774 -0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.324 5.251 1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.010 2.579 2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.346 3.827 3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.600 2.212 3.299 1.00 0.00 H new ATOM 749 N CYS A 49 5.533 6.068 2.101 1.00 0.00 N ATOM 750 CA CYS A 49 4.607 7.042 1.517 1.00 0.00 C ATOM 751 C CYS A 49 5.234 7.732 0.299 1.00 0.00 C ATOM 752 O CYS A 49 6.445 7.949 0.303 1.00 0.00 O ATOM 753 CB CYS A 49 4.192 8.078 2.577 1.00 0.00 C ATOM 754 SG CYS A 49 5.500 8.666 3.697 1.00 0.00 S ATOM 0 H CYS A 49 5.751 6.249 3.081 1.00 0.00 H new ATOM 0 HA CYS A 49 3.716 6.513 1.178 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.770 8.942 2.063 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.394 7.646 3.182 1.00 0.00 H new ATOM 759 N PRO A 50 4.446 8.178 -0.705 1.00 0.00 N ATOM 760 CA PRO A 50 5.005 8.808 -1.903 1.00 0.00 C ATOM 761 C PRO A 50 5.852 10.052 -1.590 1.00 0.00 C ATOM 762 O PRO A 50 6.799 10.354 -2.319 1.00 0.00 O ATOM 763 CB PRO A 50 3.815 9.120 -2.818 1.00 0.00 C ATOM 764 CG PRO A 50 2.603 9.087 -1.888 1.00 0.00 C ATOM 765 CD PRO A 50 2.997 8.054 -0.834 1.00 0.00 C ATOM 0 HA PRO A 50 5.707 8.134 -2.394 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.924 10.094 -3.294 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.724 8.384 -3.616 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.411 10.063 -1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.697 8.795 -2.418 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.498 8.249 0.115 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.713 7.048 -1.142 1.00 0.00 H new ATOM 773 N TRP A 51 5.559 10.730 -0.475 1.00 0.00 N ATOM 774 CA TRP A 51 6.348 11.814 0.085 1.00 0.00 C ATOM 775 C TRP A 51 7.788 11.361 0.350 1.00 0.00 C ATOM 776 O TRP A 51 8.704 11.894 -0.283 1.00 0.00 O ATOM 777 CB TRP A 51 5.651 12.337 1.347 1.00 0.00 C ATOM 778 CG TRP A 51 6.403 13.369 2.131 1.00 0.00 C ATOM 779 CD1 TRP A 51 6.866 14.545 1.650 1.00 0.00 C ATOM 780 CD2 TRP A 51 6.783 13.338 3.541 1.00 0.00 C ATOM 781 NE1 TRP A 51 7.519 15.232 2.653 1.00 0.00 N ATOM 782 CE2 TRP A 51 7.493 14.537 3.844 1.00 0.00 C ATOM 783 CE3 TRP A 51 6.591 12.423 4.600 1.00 0.00 C ATOM 784 CZ2 TRP A 51 7.991 14.812 5.128 1.00 0.00 C ATOM 785 CZ3 TRP A 51 7.078 12.692 5.893 1.00 0.00 C ATOM 786 CH2 TRP A 51 7.781 13.880 6.157 1.00 0.00 C ATOM 0 H TRP A 51 4.728 10.523 0.080 1.00 0.00 H new ATOM 0 HA TRP A 51 6.416 12.634 -0.630 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.688 12.759 1.058 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.445 11.490 2.002 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.743 14.894 0.635 1.00 0.00 H new ATOM 0 HE1 TRP A 51 7.965 16.141 2.529 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.061 11.500 4.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 8.529 15.729 5.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.910 11.980 6.688 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.159 14.076 7.150 1.00 0.00 H new ATOM 797 N CYS A 52 8.009 10.385 1.242 1.00 0.00 N ATOM 798 CA CYS A 52 9.359 9.886 1.485 1.00 0.00 C ATOM 799 C CYS A 52 9.893 9.086 0.321 1.00 0.00 C ATOM 800 O CYS A 52 11.105 9.009 0.161 1.00 0.00 O ATOM 801 CB CYS A 52 9.444 9.027 2.737 1.00 0.00 C ATOM 802 SG CYS A 52 8.515 7.480 2.782 1.00 0.00 S ATOM 0 H CYS A 52 7.280 9.935 1.796 1.00 0.00 H new ATOM 0 HA CYS A 52 9.970 10.778 1.620 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.494 8.788 2.905 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.116 9.636 3.580 1.00 0.00 H new ATOM 807 N ALA A 53 9.023 8.507 -0.506 1.00 0.00 N ATOM 808 CA ALA A 53 9.516 7.776 -1.644 1.00 0.00 C ATOM 809 C ALA A 53 10.225 8.730 -2.615 1.00 0.00 C ATOM 810 O ALA A 53 11.217 8.352 -3.234 1.00 0.00 O ATOM 811 CB ALA A 53 8.382 7.045 -2.363 1.00 0.00 C ATOM 0 H ALA A 53 8.008 8.534 -0.405 1.00 0.00 H new ATOM 0 HA ALA A 53 10.227 7.031 -1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.784 6.502 -3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.909 6.343 -1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.643 7.769 -2.708 1.00 0.00 H new ATOM 817 N THR A 54 9.700 9.960 -2.719 1.00 0.00 N ATOM 818 CA THR A 54 10.231 11.043 -3.534 1.00 0.00 C ATOM 819 C THR A 54 11.421 11.721 -2.840 1.00 0.00 C ATOM 820 O THR A 54 12.459 11.911 -3.468 1.00 0.00 O ATOM 821 CB THR A 54 9.100 12.054 -3.825 1.00 0.00 C ATOM 822 OG1 THR A 54 7.962 11.392 -4.341 1.00 0.00 O ATOM 823 CG2 THR A 54 9.519 13.122 -4.838 1.00 0.00 C ATOM 0 H THR A 54 8.857 10.230 -2.212 1.00 0.00 H new ATOM 0 HA THR A 54 10.600 10.640 -4.477 1.00 0.00 H new ATOM 0 HB THR A 54 8.872 12.536 -2.874 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.287 11.304 -3.636 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.689 13.808 -5.008 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.374 13.676 -4.450 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.793 12.644 -5.778 1.00 0.00 H new ATOM 831 N ASN A 55 11.263 12.131 -1.571 1.00 0.00 N ATOM 832 CA ASN A 55 12.210 13.031 -0.897 1.00 0.00 C ATOM 833 C ASN A 55 13.312 12.284 -0.141 1.00 0.00 C ATOM 834 O ASN A 55 14.409 12.817 0.002 1.00 0.00 O ATOM 835 CB ASN A 55 11.466 13.958 0.079 1.00 0.00 C ATOM 836 CG ASN A 55 10.532 14.925 -0.639 1.00 0.00 C ATOM 837 OD1 ASN A 55 10.906 16.039 -0.978 1.00 0.00 O ATOM 838 ND2 ASN A 55 9.300 14.513 -0.902 1.00 0.00 N ATOM 0 H ASN A 55 10.477 11.848 -0.986 1.00 0.00 H new ATOM 0 HA ASN A 55 12.689 13.615 -1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 55 10.891 13.355 0.782 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.191 14.524 0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.651 15.128 -1.393 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.001 13.581 -0.614 1.00 0.00 H new ATOM 845 N GLN A 56 13.009 11.060 0.302 1.00 0.00 N ATOM 846 CA GLN A 56 13.805 10.183 1.156 1.00 0.00 C ATOM 847 C GLN A 56 14.458 10.927 2.330 1.00 0.00 C ATOM 848 O GLN A 56 15.682 10.757 2.539 1.00 0.00 O ATOM 849 CB GLN A 56 14.764 9.364 0.279 1.00 0.00 C ATOM 850 CG GLN A 56 15.157 8.048 0.960 1.00 0.00 C ATOM 851 CD GLN A 56 16.271 7.371 0.175 1.00 0.00 C ATOM 852 OE1 GLN A 56 16.006 6.611 -0.757 1.00 0.00 O ATOM 853 NE2 GLN A 56 17.514 7.653 0.537 1.00 0.00 N ATOM 0 H GLN A 56 12.123 10.623 0.048 1.00 0.00 H new ATOM 0 HA GLN A 56 13.154 9.470 1.661 1.00 0.00 H new ATOM 0 HB2 GLN A 56 14.292 9.152 -0.680 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.659 9.950 0.071 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.485 8.241 1.981 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.292 7.388 1.023 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.687 8.289 1.316 1.00 0.00 H new ATOM 0 HE22 GLN A 56 18.298 7.234 0.037 1.00 0.00 H new TER 862 GLN A 56 ATOM 863 N GLY B 1 21.892 11.130 6.965 1.00 0.00 N ATOM 864 CA GLY B 1 22.979 10.137 6.887 1.00 0.00 C ATOM 865 C GLY B 1 22.401 8.734 6.781 1.00 0.00 C ATOM 866 O GLY B 1 21.212 8.603 6.496 1.00 0.00 O ATOM 0 H1 GLY B 1 22.086 11.910 6.305 1.00 0.00 H new ATOM 0 H2 GLY B 1 20.990 10.678 6.711 1.00 0.00 H new ATOM 0 H3 GLY B 1 21.832 11.503 7.934 1.00 0.00 H new ATOM 0 HA2 GLY B 1 23.610 10.345 6.023 1.00 0.00 H new ATOM 0 HA3 GLY B 1 23.614 10.211 7.770 1.00 0.00 H new ATOM 870 N SER B 2 23.235 7.710 7.002 1.00 0.00 N ATOM 871 CA SER B 2 22.907 6.278 6.999 1.00 0.00 C ATOM 872 C SER B 2 22.501 5.733 5.623 1.00 0.00 C ATOM 873 O SER B 2 23.141 4.804 5.137 1.00 0.00 O ATOM 874 CB SER B 2 21.864 5.945 8.077 1.00 0.00 C ATOM 875 OG SER B 2 22.241 6.507 9.321 1.00 0.00 O ATOM 0 H SER B 2 24.223 7.870 7.201 1.00 0.00 H new ATOM 0 HA SER B 2 23.833 5.760 7.247 1.00 0.00 H new ATOM 0 HB2 SER B 2 20.888 6.329 7.778 1.00 0.00 H new ATOM 0 HB3 SER B 2 21.765 4.864 8.174 1.00 0.00 H new ATOM 0 HG SER B 2 21.566 6.288 9.997 1.00 0.00 H new ATOM 881 N HIS B 3 21.482 6.326 4.988 1.00 0.00 N ATOM 882 CA HIS B 3 20.812 5.827 3.788 1.00 0.00 C ATOM 883 C HIS B 3 20.180 4.444 4.031 1.00 0.00 C ATOM 884 O HIS B 3 20.121 3.957 5.161 1.00 0.00 O ATOM 885 CB HIS B 3 21.769 5.878 2.572 1.00 0.00 C ATOM 886 CG HIS B 3 21.216 6.648 1.398 1.00 0.00 C ATOM 887 ND1 HIS B 3 21.351 8.004 1.197 1.00 0.00 N ATOM 888 CD2 HIS B 3 20.524 6.138 0.331 1.00 0.00 C ATOM 889 CE1 HIS B 3 20.745 8.304 0.035 1.00 0.00 C ATOM 890 NE2 HIS B 3 20.207 7.204 -0.515 1.00 0.00 N ATOM 0 H HIS B 3 21.087 7.208 5.315 1.00 0.00 H new ATOM 0 HA HIS B 3 19.977 6.484 3.546 1.00 0.00 H new ATOM 0 HB2 HIS B 3 22.711 6.331 2.881 1.00 0.00 H new ATOM 0 HB3 HIS B 3 21.994 4.860 2.254 1.00 0.00 H new ATOM 0 HD2 HIS B 3 20.270 5.100 0.173 1.00 0.00 H new ATOM 0 HE1 HIS B 3 20.698 9.293 -0.396 1.00 0.00 H new ATOM 0 HE2 HIS B 3 19.671 7.156 -1.382 1.00 0.00 H new ATOM 898 N MET B 4 19.670 3.827 2.963 1.00 0.00 N ATOM 899 CA MET B 4 19.346 2.410 2.883 1.00 0.00 C ATOM 900 C MET B 4 19.738 1.930 1.484 1.00 0.00 C ATOM 901 O MET B 4 19.873 2.753 0.575 1.00 0.00 O ATOM 902 CB MET B 4 17.855 2.160 3.157 1.00 0.00 C ATOM 903 CG MET B 4 16.906 2.891 2.192 1.00 0.00 C ATOM 904 SD MET B 4 15.194 2.287 2.172 1.00 0.00 S ATOM 905 CE MET B 4 15.407 0.607 1.511 1.00 0.00 C ATOM 0 H MET B 4 19.465 4.326 2.097 1.00 0.00 H new ATOM 0 HA MET B 4 19.895 1.855 3.644 1.00 0.00 H new ATOM 0 HB2 MET B 4 17.661 1.089 3.098 1.00 0.00 H new ATOM 0 HB3 MET B 4 17.627 2.470 4.177 1.00 0.00 H new ATOM 0 HG2 MET B 4 16.896 3.950 2.452 1.00 0.00 H new ATOM 0 HG3 MET B 4 17.312 2.814 1.183 1.00 0.00 H new ATOM 0 HE1 MET B 4 14.886 0.522 0.557 1.00 0.00 H new ATOM 0 HE2 MET B 4 16.468 0.406 1.364 1.00 0.00 H new ATOM 0 HE3 MET B 4 14.995 -0.116 2.215 1.00 0.00 H new ATOM 915 N ALA B 5 19.887 0.616 1.296 1.00 0.00 N ATOM 916 CA ALA B 5 20.172 0.001 0.007 1.00 0.00 C ATOM 917 C ALA B 5 19.747 -1.467 0.076 1.00 0.00 C ATOM 918 O ALA B 5 20.587 -2.358 0.189 1.00 0.00 O ATOM 919 CB ALA B 5 21.661 0.162 -0.340 1.00 0.00 C ATOM 0 H ALA B 5 19.810 -0.060 2.056 1.00 0.00 H new ATOM 0 HA ALA B 5 19.612 0.490 -0.790 1.00 0.00 H new ATOM 0 HB1 ALA B 5 21.862 -0.302 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA B 5 21.911 1.222 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA B 5 22.267 -0.320 0.427 1.00 0.00 H new ATOM 925 N GLU B 6 18.432 -1.716 0.070 1.00 0.00 N ATOM 926 CA GLU B 6 17.867 -3.033 0.350 1.00 0.00 C ATOM 927 C GLU B 6 16.785 -3.362 -0.686 1.00 0.00 C ATOM 928 O GLU B 6 16.071 -2.452 -1.123 1.00 0.00 O ATOM 929 CB GLU B 6 17.244 -3.052 1.754 1.00 0.00 C ATOM 930 CG GLU B 6 18.247 -2.811 2.896 1.00 0.00 C ATOM 931 CD GLU B 6 17.538 -2.290 4.144 1.00 0.00 C ATOM 932 OE1 GLU B 6 17.242 -1.074 4.149 1.00 0.00 O ATOM 933 OE2 GLU B 6 17.304 -3.102 5.064 1.00 0.00 O ATOM 0 H GLU B 6 17.730 -1.003 -0.131 1.00 0.00 H new ATOM 0 HA GLU B 6 18.663 -3.775 0.299 1.00 0.00 H new ATOM 0 HB2 GLU B 6 16.465 -2.291 1.803 1.00 0.00 H new ATOM 0 HB3 GLU B 6 16.758 -4.015 1.910 1.00 0.00 H new ATOM 0 HG2 GLU B 6 18.768 -3.740 3.130 1.00 0.00 H new ATOM 0 HG3 GLU B 6 19.003 -2.094 2.576 1.00 0.00 H new ATOM 940 N PRO B 7 16.607 -4.649 -1.042 1.00 0.00 N ATOM 941 CA PRO B 7 15.558 -5.114 -1.936 1.00 0.00 C ATOM 942 C PRO B 7 14.234 -5.153 -1.164 1.00 0.00 C ATOM 943 O PRO B 7 13.733 -6.214 -0.781 1.00 0.00 O ATOM 944 CB PRO B 7 16.033 -6.487 -2.418 1.00 0.00 C ATOM 945 CG PRO B 7 16.783 -7.033 -1.202 1.00 0.00 C ATOM 946 CD PRO B 7 17.390 -5.781 -0.565 1.00 0.00 C ATOM 0 HA PRO B 7 15.378 -4.469 -2.796 1.00 0.00 H new ATOM 0 HB2 PRO B 7 15.198 -7.128 -2.699 1.00 0.00 H new ATOM 0 HB3 PRO B 7 16.681 -6.407 -3.291 1.00 0.00 H new ATOM 0 HG2 PRO B 7 16.112 -7.548 -0.515 1.00 0.00 H new ATOM 0 HG3 PRO B 7 17.552 -7.749 -1.493 1.00 0.00 H new ATOM 0 HD2 PRO B 7 17.356 -5.845 0.523 1.00 0.00 H new ATOM 0 HD3 PRO B 7 18.438 -5.673 -0.845 1.00 0.00 H new ATOM 954 N GLN B 8 13.688 -3.971 -0.884 1.00 0.00 N ATOM 955 CA GLN B 8 12.453 -3.815 -0.139 1.00 0.00 C ATOM 956 C GLN B 8 11.664 -2.657 -0.742 1.00 0.00 C ATOM 957 O GLN B 8 10.597 -2.896 -1.288 1.00 0.00 O ATOM 958 CB GLN B 8 12.776 -3.701 1.365 1.00 0.00 C ATOM 959 CG GLN B 8 11.660 -4.218 2.289 1.00 0.00 C ATOM 960 CD GLN B 8 11.283 -5.705 2.156 1.00 0.00 C ATOM 961 OE1 GLN B 8 10.226 -6.126 2.616 1.00 0.00 O ATOM 962 NE2 GLN B 8 12.092 -6.549 1.527 1.00 0.00 N ATOM 0 H GLN B 8 14.102 -3.085 -1.175 1.00 0.00 H new ATOM 0 HA GLN B 8 11.801 -4.685 -0.218 1.00 0.00 H new ATOM 0 HB2 GLN B 8 13.691 -4.256 1.572 1.00 0.00 H new ATOM 0 HB3 GLN B 8 12.976 -2.657 1.604 1.00 0.00 H new ATOM 0 HG2 GLN B 8 11.961 -4.035 3.321 1.00 0.00 H new ATOM 0 HG3 GLN B 8 10.765 -3.623 2.107 1.00 0.00 H new ATOM 0 HE21 GLN B 8 12.974 -6.216 1.139 1.00 0.00 H new ATOM 0 HE22 GLN B 8 11.831 -7.531 1.432 1.00 0.00 H new ATOM 971 N ARG B 9 12.168 -1.419 -0.691 1.00 0.00 N ATOM 972 CA ARG B 9 11.530 -0.234 -1.256 1.00 0.00 C ATOM 973 C ARG B 9 11.299 -0.407 -2.761 1.00 0.00 C ATOM 974 O ARG B 9 12.177 -0.082 -3.559 1.00 0.00 O ATOM 975 CB ARG B 9 12.390 0.986 -0.872 1.00 0.00 C ATOM 976 CG ARG B 9 11.710 2.331 -1.065 1.00 0.00 C ATOM 977 CD ARG B 9 11.935 2.990 -2.431 1.00 0.00 C ATOM 978 NE ARG B 9 13.350 3.341 -2.642 1.00 0.00 N ATOM 979 CZ ARG B 9 13.991 4.431 -2.195 1.00 0.00 C ATOM 980 NH1 ARG B 9 13.342 5.468 -1.667 1.00 0.00 N ATOM 981 NH2 ARG B 9 15.318 4.488 -2.261 1.00 0.00 N ATOM 0 H ARG B 9 13.059 -1.212 -0.240 1.00 0.00 H new ATOM 0 HA ARG B 9 10.532 -0.077 -0.847 1.00 0.00 H new ATOM 0 HB2 ARG B 9 12.685 0.890 0.173 1.00 0.00 H new ATOM 0 HB3 ARG B 9 13.305 0.969 -1.464 1.00 0.00 H new ATOM 0 HG2 ARG B 9 10.638 2.202 -0.914 1.00 0.00 H new ATOM 0 HG3 ARG B 9 12.061 3.012 -0.290 1.00 0.00 H new ATOM 0 HD2 ARG B 9 11.607 2.313 -3.220 1.00 0.00 H new ATOM 0 HD3 ARG B 9 11.322 3.888 -2.507 1.00 0.00 H new ATOM 0 HE ARG B 9 13.904 2.682 -3.189 1.00 0.00 H new ATOM 0 HH11 ARG B 9 12.325 5.449 -1.593 1.00 0.00 H new ATOM 0 HH12 ARG B 9 13.862 6.281 -1.337 1.00 0.00 H new ATOM 0 HH21 ARG B 9 15.843 3.705 -2.650 1.00 0.00 H new ATOM 0 HH22 ARG B 9 15.810 5.315 -1.922 1.00 0.00 H new ATOM 995 N HIS B 10 10.127 -0.925 -3.140 1.00 0.00 N ATOM 996 CA HIS B 10 9.789 -1.350 -4.492 1.00 0.00 C ATOM 997 C HIS B 10 8.529 -0.627 -4.952 1.00 0.00 C ATOM 998 O HIS B 10 7.826 -0.014 -4.154 1.00 0.00 O ATOM 999 CB HIS B 10 9.632 -2.874 -4.560 1.00 0.00 C ATOM 1000 CG HIS B 10 10.892 -3.675 -4.327 1.00 0.00 C ATOM 1001 ND1 HIS B 10 10.956 -4.976 -3.897 1.00 0.00 N ATOM 1002 CD2 HIS B 10 12.178 -3.240 -4.471 1.00 0.00 C ATOM 1003 CE1 HIS B 10 12.250 -5.321 -3.806 1.00 0.00 C ATOM 1004 NE2 HIS B 10 13.039 -4.295 -4.154 1.00 0.00 N ATOM 0 H HIS B 10 9.360 -1.063 -2.482 1.00 0.00 H new ATOM 0 HA HIS B 10 10.601 -1.085 -5.169 1.00 0.00 H new ATOM 0 HB2 HIS B 10 8.889 -3.177 -3.822 1.00 0.00 H new ATOM 0 HB3 HIS B 10 9.233 -3.136 -5.540 1.00 0.00 H new ATOM 0 HD1 HIS B 10 10.159 -5.576 -3.684 1.00 0.00 H new ATOM 0 HD2 HIS B 10 12.479 -2.249 -4.778 1.00 0.00 H new ATOM 0 HE1 HIS B 10 12.606 -6.292 -3.495 1.00 0.00 H new ATOM 1012 N LYS B 11 8.272 -0.632 -6.263 1.00 0.00 N ATOM 1013 CA LYS B 11 7.412 0.355 -6.888 1.00 0.00 C ATOM 1014 C LYS B 11 6.510 -0.310 -7.921 1.00 0.00 C ATOM 1015 O LYS B 11 6.911 -0.489 -9.069 1.00 0.00 O ATOM 1016 CB LYS B 11 8.310 1.449 -7.477 1.00 0.00 C ATOM 1017 CG LYS B 11 9.038 2.264 -6.378 1.00 0.00 C ATOM 1018 CD LYS B 11 10.131 3.200 -6.902 1.00 0.00 C ATOM 1019 CE LYS B 11 9.550 3.954 -8.083 1.00 0.00 C ATOM 1020 NZ LYS B 11 10.271 5.180 -8.466 1.00 0.00 N ATOM 0 H LYS B 11 8.656 -1.320 -6.911 1.00 0.00 H new ATOM 0 HA LYS B 11 6.740 0.817 -6.165 1.00 0.00 H new ATOM 0 HB2 LYS B 11 9.048 0.994 -8.138 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.707 2.122 -8.087 1.00 0.00 H new ATOM 0 HG2 LYS B 11 8.301 2.855 -5.833 1.00 0.00 H new ATOM 0 HG3 LYS B 11 9.482 1.571 -5.663 1.00 0.00 H new ATOM 0 HD2 LYS B 11 10.450 3.893 -6.123 1.00 0.00 H new ATOM 0 HD3 LYS B 11 11.011 2.632 -7.204 1.00 0.00 H new ATOM 0 HE2 LYS B 11 9.524 3.284 -8.943 1.00 0.00 H new ATOM 0 HE3 LYS B 11 8.518 4.217 -7.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 9.760 5.657 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 10.334 5.816 -7.646 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 11.229 4.933 -8.787 1.00 0.00 H new ATOM 1034 N ILE B 12 5.305 -0.702 -7.503 1.00 0.00 N ATOM 1035 CA ILE B 12 4.316 -1.307 -8.390 1.00 0.00 C ATOM 1036 C ILE B 12 3.593 -0.158 -9.094 1.00 0.00 C ATOM 1037 O ILE B 12 2.743 0.500 -8.508 1.00 0.00 O ATOM 1038 CB ILE B 12 3.326 -2.221 -7.630 1.00 0.00 C ATOM 1039 CG1 ILE B 12 4.027 -3.253 -6.726 1.00 0.00 C ATOM 1040 CG2 ILE B 12 2.402 -2.899 -8.662 1.00 0.00 C ATOM 1041 CD1 ILE B 12 3.064 -3.939 -5.753 1.00 0.00 C ATOM 0 H ILE B 12 4.989 -0.608 -6.538 1.00 0.00 H new ATOM 0 HA ILE B 12 4.809 -1.958 -9.113 1.00 0.00 H new ATOM 0 HB ILE B 12 2.738 -1.606 -6.949 1.00 0.00 H new ATOM 0 HG12 ILE B 12 4.507 -4.008 -7.348 1.00 0.00 H new ATOM 0 HG13 ILE B 12 4.816 -2.758 -6.161 1.00 0.00 H new ATOM 0 HG21 ILE B 12 1.695 -3.549 -8.146 1.00 0.00 H new ATOM 0 HG22 ILE B 12 1.855 -2.137 -9.217 1.00 0.00 H new ATOM 0 HG23 ILE B 12 3.001 -3.491 -9.353 1.00 0.00 H new ATOM 0 HD11 ILE B 12 3.613 -4.655 -5.142 1.00 0.00 H new ATOM 0 HD12 ILE B 12 2.603 -3.190 -5.109 1.00 0.00 H new ATOM 0 HD13 ILE B 12 2.289 -4.460 -6.315 1.00 0.00 H new ATOM 1053 N LEU B 13 3.931 0.133 -10.343 1.00 0.00 N ATOM 1054 CA LEU B 13 3.192 1.095 -11.135 1.00 0.00 C ATOM 1055 C LEU B 13 1.816 0.519 -11.468 1.00 0.00 C ATOM 1056 O LEU B 13 1.684 -0.381 -12.294 1.00 0.00 O ATOM 1057 CB LEU B 13 3.997 1.555 -12.351 1.00 0.00 C ATOM 1058 CG LEU B 13 3.409 2.859 -12.932 1.00 0.00 C ATOM 1059 CD1 LEU B 13 4.548 3.707 -13.494 1.00 0.00 C ATOM 1060 CD2 LEU B 13 2.359 2.606 -14.022 1.00 0.00 C ATOM 0 H LEU B 13 4.721 -0.291 -10.829 1.00 0.00 H new ATOM 0 HA LEU B 13 3.024 2.006 -10.561 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.037 1.714 -12.066 1.00 0.00 H new ATOM 0 HB3 LEU B 13 3.991 0.776 -13.113 1.00 0.00 H new ATOM 0 HG LEU B 13 2.899 3.382 -12.123 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.144 4.631 -13.907 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.253 3.944 -12.697 1.00 0.00 H new ATOM 0 HD13 LEU B 13 5.061 3.152 -14.279 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.982 3.559 -14.392 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.813 2.052 -14.843 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.535 2.027 -13.606 1.00 0.00 H new ATOM 1072 N CYS B 14 0.810 1.048 -10.780 1.00 0.00 N ATOM 1073 CA CYS B 14 -0.600 0.723 -10.862 1.00 0.00 C ATOM 1074 C CYS B 14 -1.341 1.985 -11.328 1.00 0.00 C ATOM 1075 O CYS B 14 -0.729 3.015 -11.633 1.00 0.00 O ATOM 1076 CB CYS B 14 -1.019 0.262 -9.453 1.00 0.00 C ATOM 1077 SG CYS B 14 -2.678 -0.477 -9.358 1.00 0.00 S ATOM 0 H CYS B 14 0.982 1.780 -10.091 1.00 0.00 H new ATOM 0 HA CYS B 14 -0.832 -0.071 -11.572 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -0.291 -0.464 -9.092 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -0.978 1.117 -8.778 1.00 0.00 H new ATOM 0 HG CYS B 14 -3.571 0.466 -9.309 1.00 0.00 H new ATOM 1083 N VAL B 15 -2.671 1.931 -11.330 1.00 0.00 N ATOM 1084 CA VAL B 15 -3.508 3.120 -11.313 1.00 0.00 C ATOM 1085 C VAL B 15 -4.288 3.160 -9.998 1.00 0.00 C ATOM 1086 O VAL B 15 -4.448 2.140 -9.321 1.00 0.00 O ATOM 1087 CB VAL B 15 -4.421 3.205 -12.555 1.00 0.00 C ATOM 1088 CG1 VAL B 15 -3.589 3.407 -13.829 1.00 0.00 C ATOM 1089 CG2 VAL B 15 -5.336 1.981 -12.715 1.00 0.00 C ATOM 0 H VAL B 15 -3.197 1.057 -11.344 1.00 0.00 H new ATOM 0 HA VAL B 15 -2.875 4.006 -11.365 1.00 0.00 H new ATOM 0 HB VAL B 15 -5.067 4.069 -12.399 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -4.253 3.464 -14.692 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -3.019 4.332 -13.748 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -2.904 2.568 -13.953 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -5.952 2.102 -13.606 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -4.727 1.082 -12.814 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -5.978 1.890 -11.839 1.00 0.00 H new ATOM 1099 N CYS B 16 -4.776 4.349 -9.647 1.00 0.00 N ATOM 1100 CA CYS B 16 -5.786 4.537 -8.624 1.00 0.00 C ATOM 1101 C CYS B 16 -7.099 3.959 -9.134 1.00 0.00 C ATOM 1102 O CYS B 16 -7.492 4.265 -10.258 1.00 0.00 O ATOM 1103 CB CYS B 16 -5.971 6.034 -8.352 1.00 0.00 C ATOM 1104 SG CYS B 16 -7.085 6.177 -6.930 1.00 0.00 S ATOM 0 H CYS B 16 -4.470 5.221 -10.078 1.00 0.00 H new ATOM 0 HA CYS B 16 -5.481 4.039 -7.704 1.00 0.00 H new ATOM 0 HB2 CYS B 16 -5.013 6.509 -8.141 1.00 0.00 H new ATOM 0 HB3 CYS B 16 -6.391 6.536 -9.224 1.00 0.00 H new ATOM 0 HG CYS B 16 -7.197 7.427 -6.590 1.00 0.00 H new ATOM 1109 N CYS B 17 -7.816 3.213 -8.289 1.00 0.00 N ATOM 1110 CA CYS B 17 -9.106 2.640 -8.660 1.00 0.00 C ATOM 1111 C CYS B 17 -10.116 3.702 -9.114 1.00 0.00 C ATOM 1112 O CYS B 17 -10.904 3.454 -10.023 1.00 0.00 O ATOM 1113 CB CYS B 17 -9.665 1.865 -7.466 1.00 0.00 C ATOM 1114 SG CYS B 17 -10.987 0.761 -8.025 1.00 0.00 S ATOM 0 H CYS B 17 -7.520 2.993 -7.338 1.00 0.00 H new ATOM 0 HA CYS B 17 -8.945 1.976 -9.509 1.00 0.00 H new ATOM 0 HB2 CYS B 17 -8.872 1.288 -6.990 1.00 0.00 H new ATOM 0 HB3 CYS B 17 -10.048 2.558 -6.717 1.00 0.00 H new ATOM 0 HG CYS B 17 -11.327 -0.035 -7.055 1.00 0.00 H new ATOM 1120 N LYS B 18 -10.110 4.880 -8.472 1.00 0.00 N ATOM 1121 CA LYS B 18 -11.177 5.867 -8.599 1.00 0.00 C ATOM 1122 C LYS B 18 -10.730 7.201 -9.190 1.00 0.00 C ATOM 1123 O LYS B 18 -11.565 7.913 -9.739 1.00 0.00 O ATOM 1124 CB LYS B 18 -11.891 6.020 -7.251 1.00 0.00 C ATOM 1125 CG LYS B 18 -10.992 6.368 -6.046 1.00 0.00 C ATOM 1126 CD LYS B 18 -11.817 6.470 -4.749 1.00 0.00 C ATOM 1127 CE LYS B 18 -11.887 5.157 -3.948 1.00 0.00 C ATOM 1128 NZ LYS B 18 -12.671 4.087 -4.603 1.00 0.00 N ATOM 0 H LYS B 18 -9.357 5.170 -7.848 1.00 0.00 H new ATOM 0 HA LYS B 18 -11.887 5.489 -9.335 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.649 6.797 -7.350 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -12.415 5.089 -7.032 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -10.221 5.606 -5.931 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.481 7.313 -6.231 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.387 7.247 -4.117 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -12.830 6.786 -4.998 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -10.873 4.795 -3.776 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -12.322 5.364 -2.970 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -13.322 3.661 -3.912 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -13.217 4.490 -5.391 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -12.026 3.357 -4.967 1.00 0.00 H new ATOM 1142 N CYS B 19 -9.436 7.525 -9.145 1.00 0.00 N ATOM 1143 CA CYS B 19 -8.888 8.618 -9.932 1.00 0.00 C ATOM 1144 C CYS B 19 -8.526 8.167 -11.347 1.00 0.00 C ATOM 1145 O CYS B 19 -8.301 9.027 -12.193 1.00 0.00 O ATOM 1146 CB CYS B 19 -7.662 9.212 -9.272 1.00 0.00 C ATOM 1147 SG CYS B 19 -7.712 9.474 -7.482 1.00 0.00 S ATOM 0 H CYS B 19 -8.750 7.040 -8.567 1.00 0.00 H new ATOM 0 HA CYS B 19 -9.667 9.379 -9.992 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.815 8.562 -9.492 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -7.459 10.172 -9.746 1.00 0.00 H new ATOM 1152 N ASP B 20 -8.423 6.845 -11.579 1.00 0.00 N ATOM 1153 CA ASP B 20 -7.894 6.221 -12.794 1.00 0.00 C ATOM 1154 C ASP B 20 -6.632 6.944 -13.288 1.00 0.00 C ATOM 1155 O ASP B 20 -6.510 7.365 -14.438 1.00 0.00 O ATOM 1156 CB ASP B 20 -9.005 6.075 -13.837 1.00 0.00 C ATOM 1157 CG ASP B 20 -8.545 5.275 -15.064 1.00 0.00 C ATOM 1158 OD1 ASP B 20 -7.713 4.354 -14.877 1.00 0.00 O ATOM 1159 OD2 ASP B 20 -9.074 5.553 -16.163 1.00 0.00 O ATOM 0 H ASP B 20 -8.722 6.156 -10.889 1.00 0.00 H new ATOM 0 HA ASP B 20 -7.558 5.207 -12.575 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -9.864 5.580 -13.384 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -9.337 7.064 -14.153 1.00 0.00 H new ATOM 1164 N GLY B 21 -5.690 7.132 -12.358 1.00 0.00 N ATOM 1165 CA GLY B 21 -4.445 7.847 -12.572 1.00 0.00 C ATOM 1166 C GLY B 21 -3.281 7.008 -12.081 1.00 0.00 C ATOM 1167 O GLY B 21 -3.425 6.253 -11.123 1.00 0.00 O ATOM 0 H GLY B 21 -5.784 6.776 -11.407 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -4.322 8.072 -13.631 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -4.467 8.800 -12.044 1.00 0.00 H new ATOM 1171 N ARG B 22 -2.130 7.173 -12.733 1.00 0.00 N ATOM 1172 CA ARG B 22 -0.882 6.448 -12.534 1.00 0.00 C ATOM 1173 C ARG B 22 -0.448 6.602 -11.081 1.00 0.00 C ATOM 1174 O ARG B 22 -0.070 7.707 -10.690 1.00 0.00 O ATOM 1175 CB ARG B 22 0.132 7.019 -13.549 1.00 0.00 C ATOM 1176 CG ARG B 22 1.592 6.539 -13.454 1.00 0.00 C ATOM 1177 CD ARG B 22 2.471 7.436 -12.564 1.00 0.00 C ATOM 1178 NE ARG B 22 3.904 7.265 -12.864 1.00 0.00 N ATOM 1179 CZ ARG B 22 4.914 7.483 -12.010 1.00 0.00 C ATOM 1180 NH1 ARG B 22 4.721 8.068 -10.832 1.00 0.00 N ATOM 1181 NH2 ARG B 22 6.150 7.086 -12.298 1.00 0.00 N ATOM 0 H ARG B 22 -2.043 7.872 -13.471 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.976 5.376 -12.710 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.231 6.789 -14.551 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.129 8.105 -13.450 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.608 5.522 -13.062 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.021 6.501 -14.455 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.191 8.479 -12.709 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.288 7.200 -11.516 1.00 0.00 H new ATOM 0 HE ARG B 22 4.149 6.953 -13.804 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.785 8.364 -10.557 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.509 8.221 -10.203 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.340 6.608 -13.179 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.908 7.259 -11.638 1.00 0.00 H new ATOM 1195 N ILE B 23 -0.467 5.511 -10.304 1.00 0.00 N ATOM 1196 CA ILE B 23 0.185 5.489 -9.004 1.00 0.00 C ATOM 1197 C ILE B 23 1.366 4.533 -9.100 1.00 0.00 C ATOM 1198 O ILE B 23 1.211 3.326 -9.262 1.00 0.00 O ATOM 1199 CB ILE B 23 -0.699 5.094 -7.800 1.00 0.00 C ATOM 1200 CG1 ILE B 23 -2.090 5.751 -7.722 1.00 0.00 C ATOM 1201 CG2 ILE B 23 0.116 5.488 -6.544 1.00 0.00 C ATOM 1202 CD1 ILE B 23 -2.980 5.010 -6.709 1.00 0.00 C ATOM 0 H ILE B 23 -0.928 4.638 -10.559 1.00 0.00 H new ATOM 0 HA ILE B 23 0.475 6.518 -8.794 1.00 0.00 H new ATOM 0 HB ILE B 23 -0.921 4.031 -7.894 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.989 6.796 -7.430 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -2.560 5.739 -8.705 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -0.452 5.236 -5.648 1.00 0.00 H new ATOM 0 HG22 ILE B 23 1.062 4.946 -6.539 1.00 0.00 H new ATOM 0 HG23 ILE B 23 0.313 6.560 -6.559 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -3.959 5.488 -6.667 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -3.096 3.971 -7.018 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -2.516 5.045 -5.723 1.00 0.00 H new ATOM 1214 N GLU B 24 2.557 5.088 -8.952 1.00 0.00 N ATOM 1215 CA GLU B 24 3.783 4.365 -8.687 1.00 0.00 C ATOM 1216 C GLU B 24 3.781 3.941 -7.213 1.00 0.00 C ATOM 1217 O GLU B 24 4.221 4.689 -6.336 1.00 0.00 O ATOM 1218 CB GLU B 24 4.878 5.336 -9.095 1.00 0.00 C ATOM 1219 CG GLU B 24 6.316 4.883 -8.904 1.00 0.00 C ATOM 1220 CD GLU B 24 7.246 5.891 -9.613 1.00 0.00 C ATOM 1221 OE1 GLU B 24 6.918 7.101 -9.678 1.00 0.00 O ATOM 1222 OE2 GLU B 24 8.280 5.464 -10.167 1.00 0.00 O ATOM 0 H GLU B 24 2.699 6.096 -9.016 1.00 0.00 H new ATOM 0 HA GLU B 24 3.921 3.434 -9.237 1.00 0.00 H new ATOM 0 HB2 GLU B 24 4.738 5.580 -10.148 1.00 0.00 H new ATOM 0 HB3 GLU B 24 4.737 6.259 -8.533 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.557 4.827 -7.843 1.00 0.00 H new ATOM 0 HG3 GLU B 24 6.456 3.884 -9.316 1.00 0.00 H new ATOM 1229 N LEU B 25 3.199 2.766 -6.938 1.00 0.00 N ATOM 1230 CA LEU B 25 2.938 2.276 -5.591 1.00 0.00 C ATOM 1231 C LEU B 25 4.253 1.908 -4.920 1.00 0.00 C ATOM 1232 O LEU B 25 4.739 0.786 -5.084 1.00 0.00 O ATOM 1233 CB LEU B 25 2.048 1.026 -5.596 1.00 0.00 C ATOM 1234 CG LEU B 25 0.673 1.112 -6.272 1.00 0.00 C ATOM 1235 CD1 LEU B 25 -0.020 -0.258 -6.244 1.00 0.00 C ATOM 1236 CD2 LEU B 25 -0.203 2.109 -5.524 1.00 0.00 C ATOM 0 H LEU B 25 2.892 2.121 -7.666 1.00 0.00 H new ATOM 0 HA LEU B 25 2.425 3.073 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.606 0.223 -6.079 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.890 0.726 -4.560 1.00 0.00 H new ATOM 0 HG LEU B 25 0.815 1.431 -7.304 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.994 -0.183 -6.727 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.593 -0.987 -6.775 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.151 -0.578 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.179 2.169 -6.006 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.327 1.782 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.269 3.091 -5.539 1.00 0.00 H new ATOM 1248 N THR B 26 4.830 2.842 -4.169 1.00 0.00 N ATOM 1249 CA THR B 26 6.005 2.531 -3.381 1.00 0.00 C ATOM 1250 C THR B 26 5.552 1.719 -2.147 1.00 0.00 C ATOM 1251 O THR B 26 5.066 2.288 -1.170 1.00 0.00 O ATOM 1252 CB THR B 26 6.821 3.784 -3.051 1.00 0.00 C ATOM 1253 OG1 THR B 26 7.019 4.546 -4.229 1.00 0.00 O ATOM 1254 CG2 THR B 26 8.198 3.356 -2.525 1.00 0.00 C ATOM 0 H THR B 26 4.504 3.806 -4.094 1.00 0.00 H new ATOM 0 HA THR B 26 6.699 1.915 -3.952 1.00 0.00 H new ATOM 0 HB THR B 26 6.288 4.375 -2.306 1.00 0.00 H new ATOM 0 HG1 THR B 26 6.926 5.499 -4.021 1.00 0.00 H new ATOM 0 HG21 THR B 26 8.788 4.241 -2.287 1.00 0.00 H new ATOM 0 HG22 THR B 26 8.073 2.751 -1.627 1.00 0.00 H new ATOM 0 HG23 THR B 26 8.713 2.771 -3.287 1.00 0.00 H new ATOM 1262 N VAL B 27 5.674 0.391 -2.209 1.00 0.00 N ATOM 1263 CA VAL B 27 5.443 -0.521 -1.082 1.00 0.00 C ATOM 1264 C VAL B 27 6.824 -1.094 -0.769 1.00 0.00 C ATOM 1265 O VAL B 27 7.649 -1.307 -1.661 1.00 0.00 O ATOM 1266 CB VAL B 27 4.360 -1.602 -1.427 1.00 0.00 C ATOM 1267 CG1 VAL B 27 3.065 -0.921 -1.886 1.00 0.00 C ATOM 1268 CG2 VAL B 27 4.835 -2.508 -2.587 1.00 0.00 C ATOM 0 H VAL B 27 5.943 -0.094 -3.065 1.00 0.00 H new ATOM 0 HA VAL B 27 5.027 -0.025 -0.205 1.00 0.00 H new ATOM 0 HB VAL B 27 4.194 -2.195 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.319 -1.680 -2.123 1.00 0.00 H new ATOM 0 HG12 VAL B 27 2.689 -0.279 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.265 -0.319 -2.772 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.067 -3.249 -2.808 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.017 -1.899 -3.473 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.756 -3.015 -2.299 1.00 0.00 H new ATOM 1278 N GLU B 28 7.123 -1.284 0.508 1.00 0.00 N ATOM 1279 CA GLU B 28 8.468 -1.626 0.922 1.00 0.00 C ATOM 1280 C GLU B 28 8.383 -3.118 1.244 1.00 0.00 C ATOM 1281 O GLU B 28 7.888 -3.524 2.291 1.00 0.00 O ATOM 1282 CB GLU B 28 8.880 -0.642 2.023 1.00 0.00 C ATOM 1283 CG GLU B 28 10.377 -0.319 2.034 1.00 0.00 C ATOM 1284 CD GLU B 28 10.895 0.173 3.384 1.00 0.00 C ATOM 1285 OE1 GLU B 28 10.433 -0.337 4.429 1.00 0.00 O ATOM 1286 OE2 GLU B 28 11.749 1.089 3.371 1.00 0.00 O ATOM 0 H GLU B 28 6.451 -1.206 1.271 1.00 0.00 H new ATOM 0 HA GLU B 28 9.275 -1.516 0.197 1.00 0.00 H new ATOM 0 HB2 GLU B 28 8.319 0.284 1.898 1.00 0.00 H new ATOM 0 HB3 GLU B 28 8.600 -1.057 2.991 1.00 0.00 H new ATOM 0 HG2 GLU B 28 10.933 -1.211 1.746 1.00 0.00 H new ATOM 0 HG3 GLU B 28 10.580 0.441 1.279 1.00 0.00 H new ATOM 1293 N SER B 29 8.668 -3.948 0.234 1.00 0.00 N ATOM 1294 CA SER B 29 8.249 -5.323 0.160 1.00 0.00 C ATOM 1295 C SER B 29 9.207 -6.153 -0.688 1.00 0.00 C ATOM 1296 O SER B 29 9.540 -5.744 -1.795 1.00 0.00 O ATOM 1297 CB SER B 29 6.903 -5.303 -0.552 1.00 0.00 C ATOM 1298 OG SER B 29 5.983 -4.391 0.025 1.00 0.00 O ATOM 0 H SER B 29 9.217 -3.656 -0.575 1.00 0.00 H new ATOM 0 HA SER B 29 8.213 -5.759 1.158 1.00 0.00 H new ATOM 0 HB2 SER B 29 7.056 -5.042 -1.599 1.00 0.00 H new ATOM 0 HB3 SER B 29 6.473 -6.305 -0.533 1.00 0.00 H new ATOM 0 HG SER B 29 5.139 -4.419 -0.472 1.00 0.00 H new ATOM 1304 N SER B 30 9.615 -7.333 -0.214 1.00 0.00 N ATOM 1305 CA SER B 30 10.551 -8.216 -0.922 1.00 0.00 C ATOM 1306 C SER B 30 10.005 -8.570 -2.307 1.00 0.00 C ATOM 1307 O SER B 30 8.794 -8.662 -2.463 1.00 0.00 O ATOM 1308 CB SER B 30 10.761 -9.497 -0.108 1.00 0.00 C ATOM 1309 OG SER B 30 11.081 -9.183 1.237 1.00 0.00 O ATOM 0 H SER B 30 9.303 -7.708 0.682 1.00 0.00 H new ATOM 0 HA SER B 30 11.503 -7.698 -1.042 1.00 0.00 H new ATOM 0 HB2 SER B 30 9.859 -10.108 -0.140 1.00 0.00 H new ATOM 0 HB3 SER B 30 11.562 -10.089 -0.550 1.00 0.00 H new ATOM 0 HG SER B 30 11.211 -10.011 1.744 1.00 0.00 H new ATOM 1315 N ALA B 31 10.860 -8.806 -3.312 1.00 0.00 N ATOM 1316 CA ALA B 31 10.412 -8.911 -4.705 1.00 0.00 C ATOM 1317 C ALA B 31 9.313 -9.965 -4.916 1.00 0.00 C ATOM 1318 O ALA B 31 8.345 -9.704 -5.630 1.00 0.00 O ATOM 1319 CB ALA B 31 11.608 -9.186 -5.620 1.00 0.00 C ATOM 0 H ALA B 31 11.865 -8.928 -3.185 1.00 0.00 H new ATOM 0 HA ALA B 31 9.963 -7.952 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA B 31 11.266 -9.263 -6.652 1.00 0.00 H new ATOM 0 HB2 ALA B 31 12.326 -8.371 -5.535 1.00 0.00 H new ATOM 0 HB3 ALA B 31 12.084 -10.121 -5.325 1.00 0.00 H new ATOM 1325 N GLU B 32 9.425 -11.139 -4.287 1.00 0.00 N ATOM 1326 CA GLU B 32 8.422 -12.186 -4.421 1.00 0.00 C ATOM 1327 C GLU B 32 7.210 -11.959 -3.517 1.00 0.00 C ATOM 1328 O GLU B 32 6.121 -12.459 -3.800 1.00 0.00 O ATOM 1329 CB GLU B 32 9.033 -13.551 -4.121 1.00 0.00 C ATOM 1330 CG GLU B 32 9.990 -13.981 -5.243 1.00 0.00 C ATOM 1331 CD GLU B 32 10.411 -15.443 -5.096 1.00 0.00 C ATOM 1332 OE1 GLU B 32 11.412 -15.681 -4.386 1.00 0.00 O ATOM 1333 OE2 GLU B 32 9.728 -16.293 -5.710 1.00 0.00 O ATOM 0 H GLU B 32 10.206 -11.383 -3.678 1.00 0.00 H new ATOM 0 HA GLU B 32 8.074 -12.154 -5.453 1.00 0.00 H new ATOM 0 HB2 GLU B 32 9.571 -13.513 -3.174 1.00 0.00 H new ATOM 0 HB3 GLU B 32 8.241 -14.292 -4.009 1.00 0.00 H new ATOM 0 HG2 GLU B 32 9.507 -13.837 -6.209 1.00 0.00 H new ATOM 0 HG3 GLU B 32 10.875 -13.344 -5.231 1.00 0.00 H new ATOM 1340 N ASP B 33 7.366 -11.183 -2.446 1.00 0.00 N ATOM 1341 CA ASP B 33 6.271 -10.774 -1.592 1.00 0.00 C ATOM 1342 C ASP B 33 5.444 -9.701 -2.311 1.00 0.00 C ATOM 1343 O ASP B 33 4.221 -9.773 -2.364 1.00 0.00 O ATOM 1344 CB ASP B 33 6.828 -10.295 -0.250 1.00 0.00 C ATOM 1345 CG ASP B 33 5.726 -10.299 0.800 1.00 0.00 C ATOM 1346 OD1 ASP B 33 4.809 -9.466 0.655 1.00 0.00 O ATOM 1347 OD2 ASP B 33 5.818 -11.130 1.728 1.00 0.00 O ATOM 0 H ASP B 33 8.272 -10.820 -2.150 1.00 0.00 H new ATOM 0 HA ASP B 33 5.605 -11.611 -1.384 1.00 0.00 H new ATOM 0 HB2 ASP B 33 7.646 -10.943 0.066 1.00 0.00 H new ATOM 0 HB3 ASP B 33 7.239 -9.291 -0.355 1.00 0.00 H new ATOM 1352 N LEU B 34 6.131 -8.785 -3.003 1.00 0.00 N ATOM 1353 CA LEU B 34 5.557 -7.820 -3.938 1.00 0.00 C ATOM 1354 C LEU B 34 4.816 -8.560 -5.038 1.00 0.00 C ATOM 1355 O LEU B 34 3.701 -8.192 -5.390 1.00 0.00 O ATOM 1356 CB LEU B 34 6.658 -6.912 -4.509 1.00 0.00 C ATOM 1357 CG LEU B 34 6.224 -6.076 -5.738 1.00 0.00 C ATOM 1358 CD1 LEU B 34 6.964 -4.737 -5.676 1.00 0.00 C ATOM 1359 CD2 LEU B 34 6.593 -6.728 -7.082 1.00 0.00 C ATOM 0 H LEU B 34 7.144 -8.695 -2.921 1.00 0.00 H new ATOM 0 HA LEU B 34 4.845 -7.181 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU B 34 6.996 -6.234 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU B 34 7.512 -7.529 -4.788 1.00 0.00 H new ATOM 0 HG LEU B 34 5.139 -5.980 -5.696 1.00 0.00 H new ATOM 0 HD11 LEU B 34 6.679 -4.124 -6.531 1.00 0.00 H new ATOM 0 HD12 LEU B 34 6.702 -4.219 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU B 34 8.039 -4.914 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU B 34 6.260 -6.089 -7.900 1.00 0.00 H new ATOM 0 HD22 LEU B 34 7.674 -6.857 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU B 34 6.107 -7.701 -7.160 1.00 0.00 H new ATOM 1371 N ARG B 35 5.431 -9.607 -5.577 1.00 0.00 N ATOM 1372 CA ARG B 35 4.835 -10.465 -6.591 1.00 0.00 C ATOM 1373 C ARG B 35 3.559 -11.050 -6.021 1.00 0.00 C ATOM 1374 O ARG B 35 2.522 -10.908 -6.652 1.00 0.00 O ATOM 1375 CB ARG B 35 5.781 -11.569 -7.087 1.00 0.00 C ATOM 1376 CG ARG B 35 5.170 -12.304 -8.291 1.00 0.00 C ATOM 1377 CD ARG B 35 6.079 -13.406 -8.840 1.00 0.00 C ATOM 1378 NE ARG B 35 5.394 -14.152 -9.911 1.00 0.00 N ATOM 1379 CZ ARG B 35 5.949 -15.038 -10.750 1.00 0.00 C ATOM 1380 NH1 ARG B 35 7.244 -15.346 -10.659 1.00 0.00 N ATOM 1381 NH2 ARG B 35 5.195 -15.617 -11.687 1.00 0.00 N ATOM 0 H ARG B 35 6.376 -9.887 -5.315 1.00 0.00 H new ATOM 0 HA ARG B 35 4.620 -9.860 -7.472 1.00 0.00 H new ATOM 0 HB2 ARG B 35 6.740 -11.134 -7.368 1.00 0.00 H new ATOM 0 HB3 ARG B 35 5.976 -12.278 -6.282 1.00 0.00 H new ATOM 0 HG2 ARG B 35 4.215 -12.740 -7.998 1.00 0.00 H new ATOM 0 HG3 ARG B 35 4.962 -11.584 -9.082 1.00 0.00 H new ATOM 0 HD2 ARG B 35 7.000 -12.968 -9.225 1.00 0.00 H new ATOM 0 HD3 ARG B 35 6.361 -14.087 -8.037 1.00 0.00 H new ATOM 0 HE ARG B 35 4.396 -13.976 -10.025 1.00 0.00 H new ATOM 0 HH11 ARG B 35 7.824 -14.906 -9.945 1.00 0.00 H new ATOM 0 HH12 ARG B 35 7.654 -16.022 -11.304 1.00 0.00 H new ATOM 0 HH21 ARG B 35 4.205 -15.384 -11.760 1.00 0.00 H new ATOM 0 HH22 ARG B 35 5.609 -16.292 -12.330 1.00 0.00 H new ATOM 1395 N THR B 36 3.643 -11.686 -4.858 1.00 0.00 N ATOM 1396 CA THR B 36 2.527 -12.294 -4.140 1.00 0.00 C ATOM 1397 C THR B 36 1.396 -11.272 -3.954 1.00 0.00 C ATOM 1398 O THR B 36 0.261 -11.520 -4.370 1.00 0.00 O ATOM 1399 CB THR B 36 3.036 -12.894 -2.815 1.00 0.00 C ATOM 1400 OG1 THR B 36 4.075 -13.817 -3.085 1.00 0.00 O ATOM 1401 CG2 THR B 36 1.936 -13.645 -2.060 1.00 0.00 C ATOM 0 H THR B 36 4.530 -11.797 -4.367 1.00 0.00 H new ATOM 0 HA THR B 36 2.103 -13.114 -4.719 1.00 0.00 H new ATOM 0 HB THR B 36 3.383 -12.064 -2.200 1.00 0.00 H new ATOM 0 HG1 THR B 36 4.942 -13.375 -2.973 1.00 0.00 H new ATOM 0 HG21 THR B 36 2.342 -14.050 -1.133 1.00 0.00 H new ATOM 0 HG22 THR B 36 1.120 -12.960 -1.830 1.00 0.00 H new ATOM 0 HG23 THR B 36 1.562 -14.460 -2.679 1.00 0.00 H new ATOM 1409 N LEU B 37 1.700 -10.093 -3.402 1.00 0.00 N ATOM 1410 CA LEU B 37 0.697 -9.059 -3.199 1.00 0.00 C ATOM 1411 C LEU B 37 0.162 -8.548 -4.553 1.00 0.00 C ATOM 1412 O LEU B 37 -1.027 -8.269 -4.694 1.00 0.00 O ATOM 1413 CB LEU B 37 1.191 -7.999 -2.190 1.00 0.00 C ATOM 1414 CG LEU B 37 1.687 -6.645 -2.739 1.00 0.00 C ATOM 1415 CD1 LEU B 37 0.538 -5.607 -2.737 1.00 0.00 C ATOM 1416 CD2 LEU B 37 2.855 -6.139 -1.877 1.00 0.00 C ATOM 0 H LEU B 37 2.636 -9.837 -3.089 1.00 0.00 H new ATOM 0 HA LEU B 37 -0.188 -9.469 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU B 37 0.377 -7.798 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.003 -8.442 -1.613 1.00 0.00 H new ATOM 0 HG LEU B 37 2.027 -6.781 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU B 37 0.905 -4.658 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.278 -5.966 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.177 -5.466 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU B 37 3.206 -5.182 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU B 37 2.519 -6.012 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU B 37 3.669 -6.863 -1.907 1.00 0.00 H new ATOM 1428 N GLN B 38 0.988 -8.537 -5.606 1.00 0.00 N ATOM 1429 CA GLN B 38 0.543 -8.237 -6.957 1.00 0.00 C ATOM 1430 C GLN B 38 -0.342 -9.376 -7.512 1.00 0.00 C ATOM 1431 O GLN B 38 -1.198 -9.114 -8.355 1.00 0.00 O ATOM 1432 CB GLN B 38 1.749 -7.918 -7.848 1.00 0.00 C ATOM 1433 CG GLN B 38 1.362 -7.428 -9.252 1.00 0.00 C ATOM 1434 CD GLN B 38 2.554 -6.836 -10.006 1.00 0.00 C ATOM 1435 OE1 GLN B 38 2.424 -5.856 -10.726 1.00 0.00 O ATOM 1436 NE2 GLN B 38 3.742 -7.413 -9.863 1.00 0.00 N ATOM 0 H GLN B 38 1.986 -8.738 -5.537 1.00 0.00 H new ATOM 0 HA GLN B 38 -0.086 -7.347 -6.944 1.00 0.00 H new ATOM 0 HB2 GLN B 38 2.359 -7.157 -7.361 1.00 0.00 H new ATOM 0 HB3 GLN B 38 2.368 -8.810 -7.941 1.00 0.00 H new ATOM 0 HG2 GLN B 38 0.949 -8.259 -9.824 1.00 0.00 H new ATOM 0 HG3 GLN B 38 0.577 -6.676 -9.169 1.00 0.00 H new ATOM 0 HE21 GLN B 38 3.843 -8.230 -9.261 1.00 0.00 H new ATOM 0 HE22 GLN B 38 4.553 -7.039 -10.355 1.00 0.00 H new ATOM 1445 N GLN B 39 -0.207 -10.624 -7.030 1.00 0.00 N ATOM 1446 CA GLN B 39 -1.143 -11.698 -7.335 1.00 0.00 C ATOM 1447 C GLN B 39 -2.481 -11.433 -6.643 1.00 0.00 C ATOM 1448 O GLN B 39 -3.521 -11.709 -7.232 1.00 0.00 O ATOM 1449 CB GLN B 39 -0.640 -13.106 -6.986 1.00 0.00 C ATOM 1450 CG GLN B 39 0.768 -13.483 -7.461 1.00 0.00 C ATOM 1451 CD GLN B 39 1.112 -13.087 -8.898 1.00 0.00 C ATOM 1452 OE1 GLN B 39 0.826 -13.801 -9.851 1.00 0.00 O ATOM 1453 NE2 GLN B 39 1.788 -11.961 -9.075 1.00 0.00 N ATOM 0 H GLN B 39 0.558 -10.907 -6.418 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.259 -11.690 -8.419 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -0.672 -13.218 -5.902 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -1.342 -13.829 -7.402 1.00 0.00 H new ATOM 0 HG2 GLN B 39 1.493 -13.019 -6.792 1.00 0.00 H new ATOM 0 HG3 GLN B 39 0.888 -14.562 -7.362 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.020 -11.374 -8.274 1.00 0.00 H new ATOM 0 HE22 GLN B 39 2.076 -11.681 -10.013 1.00 0.00 H new ATOM 1462 N LEU B 40 -2.479 -10.849 -5.433 1.00 0.00 N ATOM 1463 CA LEU B 40 -3.709 -10.319 -4.830 1.00 0.00 C ATOM 1464 C LEU B 40 -4.347 -9.275 -5.756 1.00 0.00 C ATOM 1465 O LEU B 40 -5.561 -9.326 -5.981 1.00 0.00 O ATOM 1466 CB LEU B 40 -3.492 -9.756 -3.413 1.00 0.00 C ATOM 1467 CG LEU B 40 -2.645 -10.608 -2.446 1.00 0.00 C ATOM 1468 CD1 LEU B 40 -2.276 -9.801 -1.195 1.00 0.00 C ATOM 1469 CD2 LEU B 40 -3.317 -11.916 -2.025 1.00 0.00 C ATOM 0 H LEU B 40 -1.644 -10.733 -4.858 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.397 -11.157 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -3.020 -8.778 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.470 -9.597 -2.958 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.747 -10.876 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.679 -10.420 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.701 -8.922 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.186 -9.487 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.661 -12.460 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.258 -11.696 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.511 -12.526 -2.907 1.00 0.00 H new ATOM 1481 N PHE B 41 -3.549 -8.358 -6.328 1.00 0.00 N ATOM 1482 CA PHE B 41 -4.056 -7.372 -7.295 1.00 0.00 C ATOM 1483 C PHE B 41 -4.649 -8.068 -8.521 1.00 0.00 C ATOM 1484 O PHE B 41 -5.765 -7.758 -8.928 1.00 0.00 O ATOM 1485 CB PHE B 41 -2.987 -6.342 -7.695 1.00 0.00 C ATOM 1486 CG PHE B 41 -2.893 -5.138 -6.775 1.00 0.00 C ATOM 1487 CD1 PHE B 41 -2.493 -5.291 -5.434 1.00 0.00 C ATOM 1488 CD2 PHE B 41 -3.226 -3.855 -7.254 1.00 0.00 C ATOM 1489 CE1 PHE B 41 -2.442 -4.182 -4.574 1.00 0.00 C ATOM 1490 CE2 PHE B 41 -3.167 -2.743 -6.398 1.00 0.00 C ATOM 1491 CZ PHE B 41 -2.782 -2.909 -5.057 1.00 0.00 C ATOM 0 H PHE B 41 -2.550 -8.280 -6.137 1.00 0.00 H new ATOM 0 HA PHE B 41 -4.853 -6.816 -6.801 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -2.017 -6.838 -7.723 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -3.197 -5.994 -8.706 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -2.223 -6.269 -5.064 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -3.528 -3.726 -8.283 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -2.142 -4.308 -3.544 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -3.417 -1.761 -6.770 1.00 0.00 H new ATOM 0 HZ PHE B 41 -2.748 -2.055 -4.397 1.00 0.00 H new ATOM 1501 N LEU B 42 -3.926 -9.042 -9.081 1.00 0.00 N ATOM 1502 CA LEU B 42 -4.399 -9.868 -10.188 1.00 0.00 C ATOM 1503 C LEU B 42 -5.668 -10.653 -9.829 1.00 0.00 C ATOM 1504 O LEU B 42 -6.476 -10.908 -10.719 1.00 0.00 O ATOM 1505 CB LEU B 42 -3.278 -10.827 -10.611 1.00 0.00 C ATOM 1506 CG LEU B 42 -2.224 -10.177 -11.529 1.00 0.00 C ATOM 1507 CD1 LEU B 42 -0.912 -10.970 -11.483 1.00 0.00 C ATOM 1508 CD2 LEU B 42 -2.723 -10.112 -12.980 1.00 0.00 C ATOM 0 H LEU B 42 -2.983 -9.280 -8.772 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.662 -9.209 -11.016 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.783 -11.211 -9.719 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -3.717 -11.682 -11.125 1.00 0.00 H new ATOM 0 HG LEU B 42 -2.051 -9.163 -11.168 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -0.178 -10.498 -12.137 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -0.532 -10.985 -10.462 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -1.092 -11.991 -11.818 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -1.961 -9.649 -13.607 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.926 -11.120 -13.341 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -3.637 -9.520 -13.024 1.00 0.00 H new ATOM 1520 N SER B 43 -5.851 -11.035 -8.558 1.00 0.00 N ATOM 1521 CA SER B 43 -7.061 -11.677 -8.071 1.00 0.00 C ATOM 1522 C SER B 43 -8.216 -10.671 -8.070 1.00 0.00 C ATOM 1523 O SER B 43 -9.187 -10.855 -8.803 1.00 0.00 O ATOM 1524 CB SER B 43 -6.801 -12.280 -6.683 1.00 0.00 C ATOM 1525 OG SER B 43 -7.878 -13.089 -6.259 1.00 0.00 O ATOM 0 H SER B 43 -5.145 -10.901 -7.834 1.00 0.00 H new ATOM 0 HA SER B 43 -7.348 -12.495 -8.731 1.00 0.00 H new ATOM 0 HB2 SER B 43 -5.887 -12.874 -6.709 1.00 0.00 H new ATOM 0 HB3 SER B 43 -6.641 -11.479 -5.962 1.00 0.00 H new ATOM 0 HG SER B 43 -7.680 -13.459 -5.373 1.00 0.00 H new ATOM 1531 N THR B 44 -8.127 -9.623 -7.239 1.00 0.00 N ATOM 1532 CA THR B 44 -9.179 -8.623 -7.064 1.00 0.00 C ATOM 1533 C THR B 44 -8.687 -7.221 -6.686 1.00 0.00 C ATOM 1534 O THR B 44 -9.435 -6.259 -6.850 1.00 0.00 O ATOM 1535 CB THR B 44 -10.179 -9.072 -5.976 1.00 0.00 C ATOM 1536 OG1 THR B 44 -9.522 -9.314 -4.745 1.00 0.00 O ATOM 1537 CG2 THR B 44 -10.960 -10.333 -6.334 1.00 0.00 C ATOM 0 H THR B 44 -7.305 -9.447 -6.661 1.00 0.00 H new ATOM 0 HA THR B 44 -9.644 -8.552 -8.047 1.00 0.00 H new ATOM 0 HB THR B 44 -10.882 -8.243 -5.894 1.00 0.00 H new ATOM 0 HG1 THR B 44 -10.178 -9.595 -4.074 1.00 0.00 H new ATOM 0 HG21 THR B 44 -11.640 -10.583 -5.520 1.00 0.00 H new ATOM 0 HG22 THR B 44 -11.532 -10.160 -7.245 1.00 0.00 H new ATOM 0 HG23 THR B 44 -10.266 -11.158 -6.493 1.00 0.00 H new ATOM 1545 N LEU B 45 -7.495 -7.116 -6.095 1.00 0.00 N ATOM 1546 CA LEU B 45 -7.102 -5.948 -5.314 1.00 0.00 C ATOM 1547 C LEU B 45 -6.831 -4.700 -6.155 1.00 0.00 C ATOM 1548 O LEU B 45 -6.381 -4.776 -7.297 1.00 0.00 O ATOM 1549 CB LEU B 45 -5.877 -6.306 -4.451 1.00 0.00 C ATOM 1550 CG LEU B 45 -6.170 -6.222 -2.959 1.00 0.00 C ATOM 1551 CD1 LEU B 45 -7.136 -7.352 -2.576 1.00 0.00 C ATOM 1552 CD2 LEU B 45 -4.861 -6.307 -2.165 1.00 0.00 C ATOM 0 H LEU B 45 -6.778 -7.839 -6.146 1.00 0.00 H new ATOM 0 HA LEU B 45 -7.950 -5.687 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -5.546 -7.315 -4.697 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -5.055 -5.633 -4.695 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.640 -5.268 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.352 -7.300 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.063 -7.245 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.680 -8.315 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -5.078 -6.246 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -4.365 -7.253 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -4.208 -5.482 -2.450 1.00 0.00 H new ATOM 1564 N SER B 46 -7.031 -3.541 -5.527 1.00 0.00 N ATOM 1565 CA SER B 46 -6.822 -2.219 -6.084 1.00 0.00 C ATOM 1566 C SER B 46 -6.146 -1.324 -5.032 1.00 0.00 C ATOM 1567 O SER B 46 -5.949 -1.705 -3.872 1.00 0.00 O ATOM 1568 CB SER B 46 -8.168 -1.669 -6.605 1.00 0.00 C ATOM 1569 OG SER B 46 -9.281 -2.039 -5.807 1.00 0.00 O ATOM 0 H SER B 46 -7.362 -3.506 -4.563 1.00 0.00 H new ATOM 0 HA SER B 46 -6.148 -2.250 -6.940 1.00 0.00 H new ATOM 0 HB2 SER B 46 -8.112 -0.582 -6.653 1.00 0.00 H new ATOM 0 HB3 SER B 46 -8.327 -2.026 -7.623 1.00 0.00 H new ATOM 0 HG SER B 46 -9.974 -1.349 -5.872 1.00 0.00 H new ATOM 1575 N PHE B 47 -5.759 -0.111 -5.437 1.00 0.00 N ATOM 1576 CA PHE B 47 -5.142 0.868 -4.558 1.00 0.00 C ATOM 1577 C PHE B 47 -5.833 2.208 -4.739 1.00 0.00 C ATOM 1578 O PHE B 47 -6.399 2.506 -5.798 1.00 0.00 O ATOM 1579 CB PHE B 47 -3.636 0.978 -4.824 1.00 0.00 C ATOM 1580 CG PHE B 47 -2.845 1.485 -3.629 1.00 0.00 C ATOM 1581 CD1 PHE B 47 -2.703 2.867 -3.395 1.00 0.00 C ATOM 1582 CD2 PHE B 47 -2.223 0.571 -2.756 1.00 0.00 C ATOM 1583 CE1 PHE B 47 -1.971 3.330 -2.289 1.00 0.00 C ATOM 1584 CE2 PHE B 47 -1.459 1.034 -1.672 1.00 0.00 C ATOM 1585 CZ PHE B 47 -1.352 2.412 -1.425 1.00 0.00 C ATOM 0 H PHE B 47 -5.870 0.216 -6.397 1.00 0.00 H new ATOM 0 HA PHE B 47 -5.260 0.545 -3.524 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.254 -0.001 -5.114 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -3.472 1.647 -5.669 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -3.160 3.575 -4.070 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.334 -0.491 -2.921 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -1.884 4.390 -2.103 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -0.954 0.330 -1.028 1.00 0.00 H new ATOM 0 HZ PHE B 47 -0.794 2.766 -0.571 1.00 0.00 H new ATOM 1595 N VAL B 48 -5.772 3.005 -3.676 1.00 0.00 N ATOM 1596 CA VAL B 48 -6.502 4.229 -3.486 1.00 0.00 C ATOM 1597 C VAL B 48 -5.522 5.214 -2.834 1.00 0.00 C ATOM 1598 O VAL B 48 -5.253 5.147 -1.637 1.00 0.00 O ATOM 1599 CB VAL B 48 -7.806 3.868 -2.737 1.00 0.00 C ATOM 1600 CG1 VAL B 48 -8.546 4.996 -2.026 1.00 0.00 C ATOM 1601 CG2 VAL B 48 -8.818 3.300 -3.744 1.00 0.00 C ATOM 0 H VAL B 48 -5.170 2.789 -2.881 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.852 4.740 -4.383 1.00 0.00 H new ATOM 0 HB VAL B 48 -7.462 3.178 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.440 4.598 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -7.895 5.440 -1.273 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -8.833 5.757 -2.752 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -9.742 3.042 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -9.028 4.047 -4.509 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -8.403 2.407 -4.212 1.00 0.00 H new ATOM 1611 N CYS B 49 -4.898 6.061 -3.666 1.00 0.00 N ATOM 1612 CA CYS B 49 -3.835 6.993 -3.267 1.00 0.00 C ATOM 1613 C CYS B 49 -4.315 7.936 -2.150 1.00 0.00 C ATOM 1614 O CYS B 49 -5.505 8.239 -2.092 1.00 0.00 O ATOM 1615 CB CYS B 49 -3.383 7.798 -4.499 1.00 0.00 C ATOM 1616 SG CYS B 49 -4.702 8.448 -5.572 1.00 0.00 S ATOM 0 H CYS B 49 -5.125 6.118 -4.659 1.00 0.00 H new ATOM 0 HA CYS B 49 -2.992 6.424 -2.874 1.00 0.00 H new ATOM 0 HB2 CYS B 49 -2.778 8.637 -4.155 1.00 0.00 H new ATOM 0 HB3 CYS B 49 -2.734 7.163 -5.102 1.00 0.00 H new ATOM 1621 N PRO B 50 -3.415 8.490 -1.309 1.00 0.00 N ATOM 1622 CA PRO B 50 -3.813 9.315 -0.167 1.00 0.00 C ATOM 1623 C PRO B 50 -4.637 10.556 -0.552 1.00 0.00 C ATOM 1624 O PRO B 50 -5.436 11.041 0.253 1.00 0.00 O ATOM 1625 CB PRO B 50 -2.521 9.673 0.578 1.00 0.00 C ATOM 1626 CG PRO B 50 -1.412 9.412 -0.441 1.00 0.00 C ATOM 1627 CD PRO B 50 -1.976 8.273 -1.288 1.00 0.00 C ATOM 0 HA PRO B 50 -4.494 8.754 0.474 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -2.525 10.713 0.904 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -2.394 9.060 1.470 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -1.203 10.296 -1.043 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -0.478 9.128 0.044 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -1.561 8.289 -2.296 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -1.730 7.303 -0.857 1.00 0.00 H new ATOM 1635 N TRP B 51 -4.491 11.030 -1.795 1.00 0.00 N ATOM 1636 CA TRP B 51 -5.298 12.078 -2.397 1.00 0.00 C ATOM 1637 C TRP B 51 -6.779 11.691 -2.376 1.00 0.00 C ATOM 1638 O TRP B 51 -7.555 12.335 -1.668 1.00 0.00 O ATOM 1639 CB TRP B 51 -4.775 12.364 -3.812 1.00 0.00 C ATOM 1640 CG TRP B 51 -5.506 13.421 -4.585 1.00 0.00 C ATOM 1641 CD1 TRP B 51 -5.882 14.631 -4.111 1.00 0.00 C ATOM 1642 CD2 TRP B 51 -5.938 13.390 -5.981 1.00 0.00 C ATOM 1643 NE1 TRP B 51 -6.536 15.336 -5.100 1.00 0.00 N ATOM 1644 CE2 TRP B 51 -6.595 14.622 -6.278 1.00 0.00 C ATOM 1645 CE3 TRP B 51 -5.833 12.453 -7.032 1.00 0.00 C ATOM 1646 CZ2 TRP B 51 -7.130 14.903 -7.545 1.00 0.00 C ATOM 1647 CZ3 TRP B 51 -6.358 12.728 -8.309 1.00 0.00 C ATOM 1648 CH2 TRP B 51 -7.011 13.946 -8.566 1.00 0.00 C ATOM 0 H TRP B 51 -3.775 10.674 -2.429 1.00 0.00 H new ATOM 0 HA TRP B 51 -5.214 12.999 -1.820 1.00 0.00 H new ATOM 0 HB2 TRP B 51 -3.727 12.656 -3.738 1.00 0.00 H new ATOM 0 HB3 TRP B 51 -4.808 11.437 -4.384 1.00 0.00 H new ATOM 0 HD1 TRP B 51 -5.698 14.991 -3.109 1.00 0.00 H new ATOM 0 HE1 TRP B 51 -6.927 16.270 -4.975 1.00 0.00 H new ATOM 0 HE3 TRP B 51 -5.341 11.508 -6.853 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 -7.627 15.843 -7.732 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 -6.258 11.997 -9.098 1.00 0.00 H new ATOM 0 HH2 TRP B 51 -7.420 14.145 -9.546 1.00 0.00 H new ATOM 1659 N CYS B 52 -7.188 10.640 -3.098 1.00 0.00 N ATOM 1660 CA CYS B 52 -8.571 10.177 -3.027 1.00 0.00 C ATOM 1661 C CYS B 52 -8.898 9.533 -1.701 1.00 0.00 C ATOM 1662 O CYS B 52 -10.062 9.511 -1.318 1.00 0.00 O ATOM 1663 CB CYS B 52 -8.893 9.173 -4.114 1.00 0.00 C ATOM 1664 SG CYS B 52 -7.802 7.745 -4.252 1.00 0.00 S ATOM 0 H CYS B 52 -6.589 10.105 -3.727 1.00 0.00 H new ATOM 0 HA CYS B 52 -9.174 11.076 -3.157 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -9.908 8.810 -3.951 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -8.891 9.696 -5.070 1.00 0.00 H new ATOM 1669 N ALA B 53 -7.906 9.030 -0.965 1.00 0.00 N ATOM 1670 CA ALA B 53 -8.228 8.472 0.324 1.00 0.00 C ATOM 1671 C ALA B 53 -8.849 9.555 1.215 1.00 0.00 C ATOM 1672 O ALA B 53 -9.828 9.285 1.914 1.00 0.00 O ATOM 1673 CB ALA B 53 -6.995 7.890 1.006 1.00 0.00 C ATOM 0 H ALA B 53 -6.922 9.002 -1.232 1.00 0.00 H new ATOM 0 HA ALA B 53 -8.942 7.662 0.172 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -7.276 7.478 1.975 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -6.574 7.100 0.384 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.252 8.675 1.147 1.00 0.00 H new ATOM 1679 N THR B 54 -8.286 10.769 1.116 1.00 0.00 N ATOM 1680 CA THR B 54 -8.739 12.004 1.738 1.00 0.00 C ATOM 1681 C THR B 54 -10.028 12.522 1.075 1.00 0.00 C ATOM 1682 O THR B 54 -11.000 12.792 1.775 1.00 0.00 O ATOM 1683 CB THR B 54 -7.601 13.048 1.651 1.00 0.00 C ATOM 1684 OG1 THR B 54 -6.384 12.510 2.133 1.00 0.00 O ATOM 1685 CG2 THR B 54 -7.906 14.317 2.452 1.00 0.00 C ATOM 0 H THR B 54 -7.444 10.914 0.559 1.00 0.00 H new ATOM 0 HA THR B 54 -8.979 11.818 2.785 1.00 0.00 H new ATOM 0 HB THR B 54 -7.515 13.308 0.596 1.00 0.00 H new ATOM 0 HG1 THR B 54 -5.976 11.950 1.440 1.00 0.00 H new ATOM 0 HG21 THR B 54 -7.075 15.016 2.357 1.00 0.00 H new ATOM 0 HG22 THR B 54 -8.815 14.780 2.068 1.00 0.00 H new ATOM 0 HG23 THR B 54 -8.045 14.060 3.502 1.00 0.00 H new ATOM 1693 N ASN B 55 -10.031 12.707 -0.255 1.00 0.00 N ATOM 1694 CA ASN B 55 -11.078 13.465 -0.966 1.00 0.00 C ATOM 1695 C ASN B 55 -12.288 12.622 -1.368 1.00 0.00 C ATOM 1696 O ASN B 55 -13.319 13.183 -1.735 1.00 0.00 O ATOM 1697 CB ASN B 55 -10.502 14.135 -2.223 1.00 0.00 C ATOM 1698 CG ASN B 55 -9.565 15.271 -1.845 1.00 0.00 C ATOM 1699 OD1 ASN B 55 -9.956 16.427 -1.761 1.00 0.00 O ATOM 1700 ND2 ASN B 55 -8.317 14.953 -1.550 1.00 0.00 N ATOM 0 H ASN B 55 -9.307 12.335 -0.870 1.00 0.00 H new ATOM 0 HA ASN B 55 -11.426 14.213 -0.254 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -9.965 13.398 -2.821 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -11.314 14.517 -2.842 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -7.664 15.676 -1.247 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -8.006 13.984 -1.625 1.00 0.00 H new ATOM 1707 N GLN B 56 -12.151 11.300 -1.273 1.00 0.00 N ATOM 1708 CA GLN B 56 -13.027 10.277 -1.842 1.00 0.00 C ATOM 1709 C GLN B 56 -12.995 10.354 -3.374 1.00 0.00 C ATOM 1710 O GLN B 56 -14.070 10.239 -3.999 1.00 0.00 O ATOM 1711 CB GLN B 56 -14.414 10.335 -1.172 1.00 0.00 C ATOM 1712 CG GLN B 56 -15.256 9.071 -1.387 1.00 0.00 C ATOM 1713 CD GLN B 56 -16.330 8.980 -0.310 1.00 0.00 C ATOM 1714 OE1 GLN B 56 -16.074 8.450 0.769 1.00 0.00 O ATOM 1715 NE2 GLN B 56 -17.517 9.517 -0.561 1.00 0.00 N ATOM 0 H GLN B 56 -11.371 10.887 -0.761 1.00 0.00 H new ATOM 0 HA GLN B 56 -12.670 9.272 -1.619 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -14.284 10.497 -0.102 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -14.960 11.195 -1.561 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -15.718 9.094 -2.374 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -14.618 8.188 -1.354 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -17.700 9.950 -1.466 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -18.247 9.497 0.151 1.00 0.00 H new TER 1724 GLN B 56 HETATM 1725 ZN ZN A 57 7.251 7.405 4.930 1.00 0.00 ZN HETATM 1726 ZN ZN B 57 -6.764 7.413 -6.487 1.00 0.00 ZN