USER MOD reduce.3.24.130724 H: found=0, std=0, add=1077, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1061 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 HIS : no HD1:sc= 0.84 K(o=0.43,f=-11!) USER MOD Set 1.2: A 115 HIS : no HD1:sc= -0.413 K(o=0.43,f=-0.82) USER MOD Set 2.1: A 108 GLN : amide:sc= 1.57 K(o=2,f=1) USER MOD Set 2.2: A 110 HIS : no HD1:sc= 0.461 K(o=2,f=-4.7!) USER MOD Set 3.1: A 82 HIS : no HE2:sc= 0.135 K(o=1.3,f=-6.4!) USER MOD Set 3.2: A 88 SER OG : rot 159:sc= 1.18 USER MOD Set 4.1: A 54 SER OG : rot 122:sc= 1.26 USER MOD Set 4.2: A 105 HIS : no HE2:sc= 0.8 K(o=2.1,f=-5.5!) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0467 (180deg=-0.384) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.123) USER MOD Single : A 3 LYS NZ :NH3+ -178:sc= 1.44 (180deg=1.43) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= 1.08 (180deg=0.935) USER MOD Single : A 6 TYR OH : rot -21:sc= 0.698 USER MOD Single : A 9 MET CE :methyl -176:sc= -0.195 (180deg=-0.254) USER MOD Single : A 11 ASN : amide:sc= -0.0069 X(o=-0.0069,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.023 K(o=-0.023,f=-1.5!) USER MOD Single : A 27 THR OG1 : rot -150:sc= -0.0254 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= 1.07 (180deg=0.892) USER MOD Single : A 36 ASN : amide:sc= 1.45 K(o=1.5,f=-6!) USER MOD Single : A 40 TYR OH : rot 5:sc= 0.926 USER MOD Single : A 41 ASN : amide:sc= -1.18 K(o=-1.2,f=-6.5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.015) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 58 CYS SG : rot 163:sc= 0.188 USER MOD Single : A 62 ASN : amide:sc= -0.0138 K(o=-0.014,f=-1.1) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= 0.25 USER MOD Single : A 75 THR OG1 : rot 149:sc= 0.731 USER MOD Single : A 77 ASN : amide:sc=-0.00139 X(o=-0.0014,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.418 K(o=-0.42,f=-3.4!) USER MOD Single : A 80 HIS : no HD1:sc= -0.829 K(o=-0.83,f=-4!) USER MOD Single : A 84 THR OG1 : rot -70:sc= 0.781 USER MOD Single : A 87 MET CE :methyl -171:sc= -0.0437 (180deg=-0.154) USER MOD Single : A 89 MET CE :methyl 167:sc= -0.0553 (180deg=-0.276) USER MOD Single : A 96 THR OG1 : rot 65:sc= 0.405 USER MOD Single : A 98 SER OG : rot 180:sc= 0.318 USER MOD Single : A 99 CYS SG : rot -140:sc= -2.4 USER MOD Single : A 100 GLN : amide:sc= 2.38 K(o=2.4,f=-3!) USER MOD Single : A 116 THR OG1 : rot 140:sc= 0.289 USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl 173:sc= 0 (180deg=-0.0537) USER MOD Single : A 130 THR OG1 : rot -3:sc= 0.716 USER MOD Single : A 131 MET CE :methyl -176:sc= -1.7 (180deg=-1.76) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= 0.677 K(o=0.68,f=-4.4!) USER MOD Single : A 137 MET CE :methyl 157:sc= -0.0433 (180deg=-0.321) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.096 1.370 -16.473 1.00 0.00 N ATOM 2 CA MET A 1 -5.794 1.471 -15.824 1.00 0.00 C ATOM 3 C MET A 1 -5.915 1.295 -14.315 1.00 0.00 C ATOM 4 O MET A 1 -6.842 1.813 -13.693 1.00 0.00 O ATOM 5 CB MET A 1 -5.143 2.813 -16.152 1.00 0.00 C ATOM 6 CG MET A 1 -4.811 3.009 -17.624 1.00 0.00 C ATOM 7 SD MET A 1 -3.621 1.799 -18.236 1.00 0.00 S ATOM 8 CE MET A 1 -2.153 2.283 -17.333 1.00 0.00 C ATOM 0 H1 MET A 1 -6.967 1.324 -17.504 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.581 0.510 -16.146 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.669 2.204 -16.233 1.00 0.00 H new ATOM 0 HA MET A 1 -5.163 0.669 -16.206 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.810 3.614 -15.833 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.227 2.910 -15.570 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.727 2.941 -18.211 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.412 4.012 -17.772 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.276 1.832 -17.796 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.056 3.368 -17.352 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.233 1.944 -16.300 1.00 0.00 H new ATOM 18 N ALA A 2 -4.975 0.558 -13.733 1.00 0.00 N ATOM 19 CA ALA A 2 -4.927 0.380 -12.287 1.00 0.00 C ATOM 20 C ALA A 2 -3.603 0.868 -11.714 1.00 0.00 C ATOM 21 O ALA A 2 -2.646 1.101 -12.452 1.00 0.00 O ATOM 22 CB ALA A 2 -5.153 -1.081 -11.926 1.00 0.00 C ATOM 0 H ALA A 2 -4.235 0.074 -14.242 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.724 0.980 -11.848 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.114 -1.198 -10.843 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.130 -1.399 -12.291 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.377 -1.693 -12.385 1.00 0.00 H new ATOM 28 N LYS A 3 -3.555 1.019 -10.395 1.00 0.00 N ATOM 29 CA LYS A 3 -2.336 1.446 -9.718 1.00 0.00 C ATOM 30 C LYS A 3 -1.752 0.321 -8.873 1.00 0.00 C ATOM 31 O LYS A 3 -2.481 -0.391 -8.181 1.00 0.00 O ATOM 32 CB LYS A 3 -2.611 2.671 -8.843 1.00 0.00 C ATOM 33 CG LYS A 3 -2.929 3.940 -9.621 1.00 0.00 C ATOM 34 CD LYS A 3 -3.062 5.139 -8.694 1.00 0.00 C ATOM 35 CE LYS A 3 -3.267 6.426 -9.478 1.00 0.00 C ATOM 36 NZ LYS A 3 -2.047 6.819 -10.232 1.00 0.00 N ATOM 0 H LYS A 3 -4.346 0.852 -9.773 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.606 1.712 -10.482 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.446 2.448 -8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.741 2.854 -8.212 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.142 4.128 -10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -3.856 3.804 -10.179 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.902 4.986 -8.017 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.167 5.225 -8.077 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.097 6.299 -10.173 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.544 7.228 -8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.218 7.719 -10.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.252 6.932 -9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.816 6.081 -10.928 1.00 0.00 H new ATOM 50 N LYS A 4 -0.435 0.163 -8.935 1.00 0.00 N ATOM 51 CA LYS A 4 0.260 -0.813 -8.105 1.00 0.00 C ATOM 52 C LYS A 4 1.552 -0.236 -7.540 1.00 0.00 C ATOM 53 O LYS A 4 1.919 0.900 -7.841 1.00 0.00 O ATOM 54 CB LYS A 4 0.558 -2.082 -8.906 1.00 0.00 C ATOM 55 CG LYS A 4 -0.674 -2.762 -9.489 1.00 0.00 C ATOM 56 CD LYS A 4 -0.303 -4.033 -10.237 1.00 0.00 C ATOM 57 CE LYS A 4 -1.539 -4.750 -10.759 1.00 0.00 C ATOM 58 NZ LYS A 4 -1.204 -6.069 -11.362 1.00 0.00 N ATOM 0 H LYS A 4 0.174 0.700 -9.553 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.394 -1.066 -7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.239 -1.832 -9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.078 -2.790 -8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.374 -3.000 -8.688 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.185 -2.076 -10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.356 -3.788 -11.070 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.253 -4.697 -9.575 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.247 -4.894 -9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.033 -4.126 -11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.074 -6.624 -11.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.750 -5.923 -12.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.554 -6.583 -10.734 1.00 0.00 H new ATOM 72 N GLY A 5 2.238 -1.025 -6.720 1.00 0.00 N ATOM 73 CA GLY A 5 3.532 -0.628 -6.179 1.00 0.00 C ATOM 74 C GLY A 5 4.199 -1.784 -5.444 1.00 0.00 C ATOM 75 O GLY A 5 3.670 -2.894 -5.403 1.00 0.00 O ATOM 0 H GLY A 5 1.919 -1.945 -6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.178 -0.286 -6.988 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.402 0.213 -5.498 1.00 0.00 H new ATOM 79 N TYR A 6 5.364 -1.515 -4.865 1.00 0.00 N ATOM 80 CA TYR A 6 6.079 -2.515 -4.081 1.00 0.00 C ATOM 81 C TYR A 6 6.975 -1.862 -3.037 1.00 0.00 C ATOM 82 O TYR A 6 7.358 -0.699 -3.175 1.00 0.00 O ATOM 83 CB TYR A 6 6.906 -3.422 -4.997 1.00 0.00 C ATOM 84 CG TYR A 6 8.071 -2.721 -5.659 1.00 0.00 C ATOM 85 CD1 TYR A 6 9.280 -2.602 -4.989 1.00 0.00 C ATOM 86 CD2 TYR A 6 7.931 -2.198 -6.936 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.345 -1.963 -5.594 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.996 -1.558 -7.540 1.00 0.00 C ATOM 89 CZ TYR A 6 10.198 -1.440 -6.874 1.00 0.00 C ATOM 90 OH TYR A 6 11.258 -0.803 -7.477 1.00 0.00 O ATOM 0 H TYR A 6 5.834 -0.612 -4.924 1.00 0.00 H new ATOM 0 HA TYR A 6 5.339 -3.121 -3.559 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.283 -4.263 -4.416 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.256 -3.834 -5.769 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.389 -3.009 -3.994 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.990 -2.291 -7.458 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.288 -1.870 -5.075 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.887 -1.150 -8.534 1.00 0.00 H new ATOM 0 HH TYR A 6 11.895 -0.509 -6.793 1.00 0.00 H new ATOM 100 N ILE A 7 7.307 -2.614 -1.995 1.00 0.00 N ATOM 101 CA ILE A 7 8.256 -2.154 -0.989 1.00 0.00 C ATOM 102 C ILE A 7 9.482 -3.056 -0.933 1.00 0.00 C ATOM 103 O ILE A 7 9.400 -4.207 -0.506 1.00 0.00 O ATOM 104 CB ILE A 7 7.598 -2.096 0.402 1.00 0.00 C ATOM 105 CG1 ILE A 7 6.436 -1.100 0.402 1.00 0.00 C ATOM 106 CG2 ILE A 7 8.624 -1.722 1.461 1.00 0.00 C ATOM 107 CD1 ILE A 7 5.679 -1.045 1.709 1.00 0.00 C ATOM 0 H ILE A 7 6.932 -3.547 -1.824 1.00 0.00 H new ATOM 0 HA ILE A 7 8.571 -1.151 -1.277 1.00 0.00 H new ATOM 0 HB ILE A 7 7.204 -3.084 0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.822 -0.106 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.744 -1.364 -0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.142 -1.686 2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.419 -2.467 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.047 -0.745 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.871 -0.317 1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.262 -2.028 1.930 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.357 -0.750 2.510 1.00 0.00 H new ATOM 119 N LEU A 8 10.621 -2.526 -1.370 1.00 0.00 N ATOM 120 CA LEU A 8 11.887 -3.243 -1.271 1.00 0.00 C ATOM 121 C LEU A 8 12.529 -3.039 0.095 1.00 0.00 C ATOM 122 O LEU A 8 12.913 -1.925 0.451 1.00 0.00 O ATOM 123 CB LEU A 8 12.848 -2.774 -2.370 1.00 0.00 C ATOM 124 CG LEU A 8 13.715 -3.869 -3.006 1.00 0.00 C ATOM 125 CD1 LEU A 8 14.661 -3.241 -4.021 1.00 0.00 C ATOM 126 CD2 LEU A 8 14.489 -4.599 -1.918 1.00 0.00 C ATOM 0 H LEU A 8 10.692 -1.602 -1.796 1.00 0.00 H new ATOM 0 HA LEU A 8 11.682 -4.306 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.265 -2.295 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.506 -2.012 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 8 13.084 -4.591 -3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.277 -4.018 -4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.082 -2.740 -4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.302 -2.515 -3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.105 -5.377 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.128 -3.892 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.790 -5.052 -1.215 1.00 0.00 H new ATOM 138 N MET A 9 12.646 -4.122 0.856 1.00 0.00 N ATOM 139 CA MET A 9 13.209 -4.058 2.199 1.00 0.00 C ATOM 140 C MET A 9 14.732 -4.087 2.159 1.00 0.00 C ATOM 141 O MET A 9 15.328 -4.592 1.207 1.00 0.00 O ATOM 142 CB MET A 9 12.677 -5.208 3.051 1.00 0.00 C ATOM 143 CG MET A 9 11.161 -5.243 3.186 1.00 0.00 C ATOM 144 SD MET A 9 10.492 -3.730 3.908 1.00 0.00 S ATOM 145 CE MET A 9 11.115 -3.851 5.582 1.00 0.00 C ATOM 0 H MET A 9 12.358 -5.056 0.565 1.00 0.00 H new ATOM 0 HA MET A 9 12.903 -3.114 2.650 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.013 -6.150 2.618 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.117 -5.140 4.046 1.00 0.00 H new ATOM 0 HG2 MET A 9 10.716 -5.400 2.203 1.00 0.00 H new ATOM 0 HG3 MET A 9 10.875 -6.094 3.805 1.00 0.00 H new ATOM 0 HE1 MET A 9 10.727 -3.023 6.175 1.00 0.00 H new ATOM 0 HE2 MET A 9 10.794 -4.795 6.022 1.00 0.00 H new ATOM 0 HE3 MET A 9 12.204 -3.809 5.569 1.00 0.00 H new ATOM 155 N GLU A 10 15.357 -3.544 3.198 1.00 0.00 N ATOM 156 CA GLU A 10 16.812 -3.505 3.283 1.00 0.00 C ATOM 157 C GLU A 10 17.402 -4.909 3.258 1.00 0.00 C ATOM 158 O GLU A 10 18.522 -5.114 2.789 1.00 0.00 O ATOM 159 CB GLU A 10 17.253 -2.777 4.555 1.00 0.00 C ATOM 160 CG GLU A 10 18.759 -2.614 4.695 1.00 0.00 C ATOM 161 CD GLU A 10 19.351 -1.715 3.645 1.00 0.00 C ATOM 162 OE1 GLU A 10 18.601 -1.081 2.942 1.00 0.00 O ATOM 163 OE2 GLU A 10 20.554 -1.662 3.546 1.00 0.00 O ATOM 0 H GLU A 10 14.878 -3.124 3.994 1.00 0.00 H new ATOM 0 HA GLU A 10 17.183 -2.962 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.790 -1.791 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.877 -3.323 5.420 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.985 -2.210 5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 10 19.232 -3.594 4.636 1.00 0.00 H new ATOM 170 N ASN A 11 16.644 -5.874 3.767 1.00 0.00 N ATOM 171 CA ASN A 11 17.103 -7.255 3.834 1.00 0.00 C ATOM 172 C ASN A 11 16.779 -8.008 2.550 1.00 0.00 C ATOM 173 O ASN A 11 17.058 -9.201 2.431 1.00 0.00 O ATOM 174 CB ASN A 11 16.500 -7.962 5.034 1.00 0.00 C ATOM 175 CG ASN A 11 17.002 -7.413 6.340 1.00 0.00 C ATOM 176 OD1 ASN A 11 18.203 -7.465 6.629 1.00 0.00 O ATOM 177 ND2 ASN A 11 16.106 -6.888 7.137 1.00 0.00 N ATOM 0 H ASN A 11 15.707 -5.724 4.140 1.00 0.00 H new ATOM 0 HA ASN A 11 18.187 -7.241 3.949 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.415 -7.869 4.998 1.00 0.00 H new ATOM 0 HB3 ASN A 11 16.731 -9.026 4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 11 16.389 -6.501 8.037 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.125 -6.866 6.858 1.00 0.00 H new ATOM 184 N GLY A 12 16.189 -7.303 1.590 1.00 0.00 N ATOM 185 CA GLY A 12 15.891 -7.883 0.287 1.00 0.00 C ATOM 186 C GLY A 12 14.521 -8.549 0.280 1.00 0.00 C ATOM 187 O GLY A 12 14.149 -9.215 -0.687 1.00 0.00 O ATOM 0 H GLY A 12 15.908 -6.328 1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.924 -7.105 -0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 12 16.656 -8.616 0.029 1.00 0.00 H new ATOM 191 N GLY A 13 13.774 -8.366 1.362 1.00 0.00 N ATOM 192 CA GLY A 13 12.449 -8.960 1.489 1.00 0.00 C ATOM 193 C GLY A 13 11.398 -8.122 0.772 1.00 0.00 C ATOM 194 O GLY A 13 10.483 -7.588 1.398 1.00 0.00 O ATOM 0 H GLY A 13 14.064 -7.810 2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.458 -9.968 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.188 -9.051 2.543 1.00 0.00 H new ATOM 198 N LYS A 14 11.537 -8.011 -0.545 1.00 0.00 N ATOM 199 CA LYS A 14 10.659 -7.156 -1.337 1.00 0.00 C ATOM 200 C LYS A 14 9.235 -7.695 -1.355 1.00 0.00 C ATOM 201 O LYS A 14 9.010 -8.873 -1.635 1.00 0.00 O ATOM 202 CB LYS A 14 11.190 -7.023 -2.765 1.00 0.00 C ATOM 203 CG LYS A 14 10.438 -6.015 -3.624 1.00 0.00 C ATOM 204 CD LYS A 14 11.064 -5.889 -5.005 1.00 0.00 C ATOM 205 CE LYS A 14 10.520 -6.942 -5.959 1.00 0.00 C ATOM 206 NZ LYS A 14 11.085 -6.798 -7.328 1.00 0.00 N ATOM 0 H LYS A 14 12.249 -8.502 -1.086 1.00 0.00 H new ATOM 0 HA LYS A 14 10.643 -6.170 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.240 -6.735 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.146 -7.999 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.397 -6.322 -3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.439 -5.042 -3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.866 -4.895 -5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.146 -5.991 -4.926 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.752 -7.935 -5.574 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.434 -6.863 -6.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.689 -7.534 -7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.842 -5.860 -7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.119 -6.899 -7.289 1.00 0.00 H new ATOM 220 N ILE A 15 8.275 -6.826 -1.055 1.00 0.00 N ATOM 221 CA ILE A 15 6.866 -7.192 -1.116 1.00 0.00 C ATOM 222 C ILE A 15 6.133 -6.383 -2.179 1.00 0.00 C ATOM 223 O ILE A 15 6.530 -5.265 -2.506 1.00 0.00 O ATOM 224 CB ILE A 15 6.184 -6.983 0.248 1.00 0.00 C ATOM 225 CG1 ILE A 15 6.204 -5.501 0.634 1.00 0.00 C ATOM 226 CG2 ILE A 15 6.866 -7.823 1.317 1.00 0.00 C ATOM 227 CD1 ILE A 15 5.382 -5.179 1.861 1.00 0.00 C ATOM 0 H ILE A 15 8.448 -5.863 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 15 6.817 -8.248 -1.381 1.00 0.00 H new ATOM 0 HB ILE A 15 5.145 -7.304 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.235 -5.194 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.834 -4.912 -0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.372 -7.664 2.275 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.803 -8.877 1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.913 -7.531 1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.445 -4.111 2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.342 -5.453 1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.765 -5.740 2.713 1.00 0.00 H new ATOM 239 N GLU A 16 5.060 -6.954 -2.716 1.00 0.00 N ATOM 240 CA GLU A 16 4.314 -6.321 -3.797 1.00 0.00 C ATOM 241 C GLU A 16 2.841 -6.178 -3.439 1.00 0.00 C ATOM 242 O GLU A 16 2.256 -7.060 -2.809 1.00 0.00 O ATOM 243 CB GLU A 16 4.459 -7.128 -5.090 1.00 0.00 C ATOM 244 CG GLU A 16 5.880 -7.195 -5.632 1.00 0.00 C ATOM 245 CD GLU A 16 5.978 -7.969 -6.918 1.00 0.00 C ATOM 246 OE1 GLU A 16 4.973 -8.461 -7.372 1.00 0.00 O ATOM 247 OE2 GLU A 16 7.060 -8.068 -7.446 1.00 0.00 O ATOM 0 H GLU A 16 4.687 -7.856 -2.419 1.00 0.00 H new ATOM 0 HA GLU A 16 4.729 -5.325 -3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.102 -8.143 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.813 -6.691 -5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.250 -6.183 -5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.527 -7.656 -4.886 1.00 0.00 H new ATOM 254 N PHE A 17 2.244 -5.062 -3.845 1.00 0.00 N ATOM 255 CA PHE A 17 0.873 -4.745 -3.465 1.00 0.00 C ATOM 256 C PHE A 17 0.151 -4.000 -4.580 1.00 0.00 C ATOM 257 O PHE A 17 0.782 -3.443 -5.479 1.00 0.00 O ATOM 258 CB PHE A 17 0.854 -3.904 -2.187 1.00 0.00 C ATOM 259 CG PHE A 17 1.536 -2.573 -2.327 1.00 0.00 C ATOM 260 CD1 PHE A 17 0.843 -1.468 -2.800 1.00 0.00 C ATOM 261 CD2 PHE A 17 2.872 -2.423 -1.987 1.00 0.00 C ATOM 262 CE1 PHE A 17 1.472 -0.244 -2.929 1.00 0.00 C ATOM 263 CE2 PHE A 17 3.502 -1.201 -2.113 1.00 0.00 C ATOM 264 CZ PHE A 17 2.799 -0.110 -2.586 1.00 0.00 C ATOM 0 H PHE A 17 2.689 -4.362 -4.438 1.00 0.00 H new ATOM 0 HA PHE A 17 0.353 -5.686 -3.285 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.181 -3.742 -1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.335 -4.466 -1.386 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.198 -1.565 -3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.427 -3.273 -1.619 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.922 0.609 -3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.542 -1.098 -1.842 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.289 0.847 -2.687 1.00 0.00 H new ATOM 274 N GLU A 18 -1.177 -3.991 -4.517 1.00 0.00 N ATOM 275 CA GLU A 18 -1.982 -3.197 -5.437 1.00 0.00 C ATOM 276 C GLU A 18 -2.616 -2.008 -4.727 1.00 0.00 C ATOM 277 O GLU A 18 -2.701 -1.978 -3.499 1.00 0.00 O ATOM 278 CB GLU A 18 -3.072 -4.062 -6.074 1.00 0.00 C ATOM 279 CG GLU A 18 -2.546 -5.187 -6.956 1.00 0.00 C ATOM 280 CD GLU A 18 -3.644 -5.997 -7.587 1.00 0.00 C ATOM 281 OE1 GLU A 18 -4.789 -5.713 -7.329 1.00 0.00 O ATOM 282 OE2 GLU A 18 -3.336 -6.900 -8.328 1.00 0.00 O ATOM 0 H GLU A 18 -1.718 -4.525 -3.837 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.321 -2.820 -6.218 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.685 -4.493 -5.283 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.724 -3.423 -6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.917 -4.764 -7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.913 -5.844 -6.359 1.00 0.00 H new ATOM 289 N LEU A 19 -3.060 -1.028 -5.506 1.00 0.00 N ATOM 290 CA LEU A 19 -3.724 0.148 -4.957 1.00 0.00 C ATOM 291 C LEU A 19 -5.136 0.293 -5.512 1.00 0.00 C ATOM 292 O LEU A 19 -5.449 -0.232 -6.581 1.00 0.00 O ATOM 293 CB LEU A 19 -2.913 1.411 -5.269 1.00 0.00 C ATOM 294 CG LEU A 19 -1.527 1.489 -4.616 1.00 0.00 C ATOM 295 CD1 LEU A 19 -0.768 2.686 -5.174 1.00 0.00 C ATOM 296 CD2 LEU A 19 -1.683 1.597 -3.106 1.00 0.00 C ATOM 0 H LEU A 19 -2.972 -1.025 -6.522 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.790 0.020 -3.877 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.790 1.484 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.492 2.279 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.958 0.586 -4.840 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.217 2.741 -4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.655 2.575 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.322 3.600 -4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.698 1.652 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.250 2.495 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.212 0.721 -2.731 1.00 0.00 H new ATOM 308 N PHE A 20 -5.983 1.008 -4.781 1.00 0.00 N ATOM 309 CA PHE A 20 -7.378 1.178 -5.171 1.00 0.00 C ATOM 310 C PHE A 20 -7.767 2.651 -5.198 1.00 0.00 C ATOM 311 O PHE A 20 -8.454 3.137 -4.300 1.00 0.00 O ATOM 312 CB PHE A 20 -8.297 0.420 -4.212 1.00 0.00 C ATOM 313 CG PHE A 20 -7.986 -1.046 -4.106 1.00 0.00 C ATOM 314 CD1 PHE A 20 -8.397 -1.931 -5.092 1.00 0.00 C ATOM 315 CD2 PHE A 20 -7.281 -1.543 -3.021 1.00 0.00 C ATOM 316 CE1 PHE A 20 -8.113 -3.278 -4.996 1.00 0.00 C ATOM 317 CE2 PHE A 20 -6.994 -2.892 -2.922 1.00 0.00 C ATOM 318 CZ PHE A 20 -7.410 -3.760 -3.909 1.00 0.00 C ATOM 0 H PHE A 20 -5.728 1.480 -3.914 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.493 0.772 -6.176 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.224 0.870 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.329 0.540 -4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.946 -1.561 -5.945 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.952 -0.869 -2.244 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -8.440 -3.955 -5.771 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.444 -3.266 -2.071 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.187 -4.814 -3.833 1.00 0.00 H new ATOM 328 N PRO A 21 -7.324 3.355 -6.234 1.00 0.00 N ATOM 329 CA PRO A 21 -7.636 4.772 -6.386 1.00 0.00 C ATOM 330 C PRO A 21 -9.127 4.986 -6.617 1.00 0.00 C ATOM 331 O PRO A 21 -9.644 6.086 -6.420 1.00 0.00 O ATOM 332 CB PRO A 21 -6.811 5.177 -7.611 1.00 0.00 C ATOM 333 CG PRO A 21 -6.629 3.905 -8.367 1.00 0.00 C ATOM 334 CD PRO A 21 -6.453 2.857 -7.300 1.00 0.00 C ATOM 0 HA PRO A 21 -7.400 5.363 -5.501 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.329 5.926 -8.210 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.853 5.608 -7.321 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.492 3.690 -8.997 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.760 3.954 -9.023 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -6.756 1.869 -7.646 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.416 2.777 -6.975 1.00 0.00 H new ATOM 342 N ASN A 22 -9.812 3.928 -7.037 1.00 0.00 N ATOM 343 CA ASN A 22 -11.255 3.983 -7.241 1.00 0.00 C ATOM 344 C ASN A 22 -12.000 3.995 -5.912 1.00 0.00 C ATOM 345 O ASN A 22 -13.142 4.447 -5.835 1.00 0.00 O ATOM 346 CB ASN A 22 -11.717 2.822 -8.102 1.00 0.00 C ATOM 347 CG ASN A 22 -11.297 2.963 -9.539 1.00 0.00 C ATOM 348 OD1 ASN A 22 -11.009 4.070 -10.008 1.00 0.00 O ATOM 349 ND2 ASN A 22 -11.256 1.863 -10.247 1.00 0.00 N ATOM 0 H ASN A 22 -9.391 3.022 -7.243 1.00 0.00 H new ATOM 0 HA ASN A 22 -11.484 4.913 -7.761 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.314 1.893 -7.699 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.803 2.746 -8.051 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.978 1.898 -11.228 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.502 0.971 -9.818 1.00 0.00 H new ATOM 356 N GLU A 23 -11.346 3.497 -4.869 1.00 0.00 N ATOM 357 CA GLU A 23 -11.965 3.400 -3.552 1.00 0.00 C ATOM 358 C GLU A 23 -11.452 4.491 -2.621 1.00 0.00 C ATOM 359 O GLU A 23 -12.178 4.967 -1.748 1.00 0.00 O ATOM 360 CB GLU A 23 -11.699 2.024 -2.938 1.00 0.00 C ATOM 361 CG GLU A 23 -12.263 0.859 -3.738 1.00 0.00 C ATOM 362 CD GLU A 23 -11.945 -0.478 -3.128 1.00 0.00 C ATOM 363 OE1 GLU A 23 -11.287 -0.506 -2.116 1.00 0.00 O ATOM 364 OE2 GLU A 23 -12.360 -1.472 -3.675 1.00 0.00 O ATOM 0 H GLU A 23 -10.386 3.154 -4.910 1.00 0.00 H new ATOM 0 HA GLU A 23 -13.039 3.534 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.623 1.889 -2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.124 1.999 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.345 0.969 -3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.864 0.894 -4.752 1.00 0.00 H new ATOM 371 N ALA A 24 -10.197 4.882 -2.812 1.00 0.00 N ATOM 372 CA ALA A 24 -9.598 5.948 -2.017 1.00 0.00 C ATOM 373 C ALA A 24 -8.730 6.857 -2.879 1.00 0.00 C ATOM 374 O ALA A 24 -7.503 6.825 -2.790 1.00 0.00 O ATOM 375 CB ALA A 24 -8.779 5.362 -0.876 1.00 0.00 C ATOM 0 H ALA A 24 -9.574 4.477 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.405 6.550 -1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.338 6.170 -0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.425 4.762 -0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.986 4.734 -1.282 1.00 0.00 H new ATOM 381 N PRO A 25 -9.375 7.666 -3.713 1.00 0.00 N ATOM 382 CA PRO A 25 -8.662 8.573 -4.604 1.00 0.00 C ATOM 383 C PRO A 25 -7.600 9.364 -3.851 1.00 0.00 C ATOM 384 O PRO A 25 -6.440 9.410 -4.259 1.00 0.00 O ATOM 385 CB PRO A 25 -9.776 9.484 -5.131 1.00 0.00 C ATOM 386 CG PRO A 25 -10.976 8.601 -5.181 1.00 0.00 C ATOM 387 CD PRO A 25 -10.860 7.741 -3.950 1.00 0.00 C ATOM 0 HA PRO A 25 -8.121 8.060 -5.399 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.937 10.338 -4.473 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.533 9.882 -6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.898 9.183 -5.174 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.987 7.997 -6.088 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.380 8.184 -3.101 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.292 6.753 -4.109 1.00 0.00 H new ATOM 395 N VAL A 26 -8.004 9.986 -2.748 1.00 0.00 N ATOM 396 CA VAL A 26 -7.143 10.925 -2.039 1.00 0.00 C ATOM 397 C VAL A 26 -5.956 10.212 -1.404 1.00 0.00 C ATOM 398 O VAL A 26 -4.807 10.616 -1.584 1.00 0.00 O ATOM 399 CB VAL A 26 -7.940 11.661 -0.946 1.00 0.00 C ATOM 400 CG1 VAL A 26 -7.009 12.489 -0.073 1.00 0.00 C ATOM 401 CG2 VAL A 26 -9.004 12.541 -1.586 1.00 0.00 C ATOM 0 H VAL A 26 -8.923 9.856 -2.326 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.769 11.646 -2.767 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.432 10.925 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.590 13.002 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.278 11.835 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.491 13.224 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.564 13.059 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.527 13.273 -2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.684 11.922 -2.172 1.00 0.00 H new ATOM 411 N THR A 27 -6.240 9.149 -0.659 1.00 0.00 N ATOM 412 CA THR A 27 -5.211 8.445 0.097 1.00 0.00 C ATOM 413 C THR A 27 -4.196 7.792 -0.831 1.00 0.00 C ATOM 414 O THR A 27 -2.992 7.833 -0.577 1.00 0.00 O ATOM 415 CB THR A 27 -5.831 7.380 1.019 1.00 0.00 C ATOM 416 OG1 THR A 27 -6.740 8.006 1.934 1.00 0.00 O ATOM 417 CG2 THR A 27 -4.747 6.656 1.803 1.00 0.00 C ATOM 0 H THR A 27 -7.176 8.756 -0.563 1.00 0.00 H new ATOM 0 HA THR A 27 -4.698 9.185 0.711 1.00 0.00 H new ATOM 0 HB THR A 27 -6.365 6.656 0.404 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.765 7.496 2.770 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.204 5.907 2.449 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.061 6.168 1.110 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.197 7.374 2.412 1.00 0.00 H new ATOM 425 N VAL A 28 -4.688 7.188 -1.907 1.00 0.00 N ATOM 426 CA VAL A 28 -3.823 6.541 -2.886 1.00 0.00 C ATOM 427 C VAL A 28 -2.930 7.556 -3.588 1.00 0.00 C ATOM 428 O VAL A 28 -1.732 7.332 -3.755 1.00 0.00 O ATOM 429 CB VAL A 28 -4.669 5.794 -3.935 1.00 0.00 C ATOM 430 CG1 VAL A 28 -3.794 5.328 -5.090 1.00 0.00 C ATOM 431 CG2 VAL A 28 -5.377 4.615 -3.285 1.00 0.00 C ATOM 0 H VAL A 28 -5.683 7.133 -2.123 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.191 5.831 -2.352 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.421 6.475 -4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.407 4.802 -5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.325 6.191 -5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.022 4.656 -4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.973 4.092 -4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.638 3.932 -2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.028 4.976 -2.489 1.00 0.00 H new ATOM 441 N ALA A 29 -3.521 8.673 -3.997 1.00 0.00 N ATOM 442 CA ALA A 29 -2.773 9.741 -4.649 1.00 0.00 C ATOM 443 C ALA A 29 -1.660 10.263 -3.749 1.00 0.00 C ATOM 444 O ALA A 29 -0.523 10.434 -4.188 1.00 0.00 O ATOM 445 CB ALA A 29 -3.706 10.876 -5.047 1.00 0.00 C ATOM 0 H ALA A 29 -4.517 8.862 -3.888 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.315 9.329 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.132 11.665 -5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.462 10.501 -5.736 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.193 11.276 -4.157 1.00 0.00 H new ATOM 451 N ASN A 30 -1.995 10.516 -2.488 1.00 0.00 N ATOM 452 CA ASN A 30 -1.023 11.014 -1.522 1.00 0.00 C ATOM 453 C ASN A 30 0.090 10.002 -1.289 1.00 0.00 C ATOM 454 O ASN A 30 1.269 10.353 -1.276 1.00 0.00 O ATOM 455 CB ASN A 30 -1.705 11.371 -0.215 1.00 0.00 C ATOM 456 CG ASN A 30 -0.765 12.008 0.772 1.00 0.00 C ATOM 457 OD1 ASN A 30 -0.228 13.093 0.524 1.00 0.00 O ATOM 458 ND2 ASN A 30 -0.558 11.354 1.886 1.00 0.00 N ATOM 0 H ASN A 30 -2.934 10.384 -2.111 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.572 11.917 -1.934 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.532 12.052 -0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.133 10.470 0.225 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.069 11.737 2.593 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.024 10.461 2.047 1.00 0.00 H new ATOM 465 N PHE A 31 -0.292 8.742 -1.104 1.00 0.00 N ATOM 466 CA PHE A 31 0.675 7.670 -0.903 1.00 0.00 C ATOM 467 C PHE A 31 1.654 7.586 -2.068 1.00 0.00 C ATOM 468 O PHE A 31 2.866 7.509 -1.867 1.00 0.00 O ATOM 469 CB PHE A 31 -0.041 6.329 -0.735 1.00 0.00 C ATOM 470 CG PHE A 31 0.888 5.165 -0.537 1.00 0.00 C ATOM 471 CD1 PHE A 31 1.431 4.897 0.713 1.00 0.00 C ATOM 472 CD2 PHE A 31 1.224 4.338 -1.596 1.00 0.00 C ATOM 473 CE1 PHE A 31 2.286 3.828 0.896 1.00 0.00 C ATOM 474 CE2 PHE A 31 2.078 3.268 -1.416 1.00 0.00 C ATOM 475 CZ PHE A 31 2.610 3.013 -0.168 1.00 0.00 C ATOM 0 H PHE A 31 -1.266 8.439 -1.089 1.00 0.00 H new ATOM 0 HA PHE A 31 1.235 7.895 0.005 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.716 6.393 0.119 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.657 6.144 -1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.182 5.531 1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.813 4.533 -2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.701 3.630 1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.330 2.631 -2.251 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.279 2.177 -0.025 1.00 0.00 H new ATOM 485 N GLU A 32 1.121 7.600 -3.284 1.00 0.00 N ATOM 486 CA GLU A 32 1.948 7.571 -4.484 1.00 0.00 C ATOM 487 C GLU A 32 2.924 8.741 -4.507 1.00 0.00 C ATOM 488 O GLU A 32 4.117 8.562 -4.750 1.00 0.00 O ATOM 489 CB GLU A 32 1.072 7.602 -5.738 1.00 0.00 C ATOM 490 CG GLU A 32 1.846 7.676 -7.046 1.00 0.00 C ATOM 491 CD GLU A 32 0.957 7.626 -8.257 1.00 0.00 C ATOM 492 OE1 GLU A 32 -0.229 7.467 -8.093 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.465 7.745 -9.347 1.00 0.00 O ATOM 0 H GLU A 32 0.118 7.631 -3.465 1.00 0.00 H new ATOM 0 HA GLU A 32 2.521 6.644 -4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.446 6.710 -5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.403 8.460 -5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.427 8.598 -7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.556 6.850 -7.089 1.00 0.00 H new ATOM 500 N LYS A 33 2.410 9.939 -4.252 1.00 0.00 N ATOM 501 CA LYS A 33 3.238 11.139 -4.223 1.00 0.00 C ATOM 502 C LYS A 33 4.423 10.966 -3.281 1.00 0.00 C ATOM 503 O LYS A 33 5.567 11.232 -3.653 1.00 0.00 O ATOM 504 CB LYS A 33 2.408 12.354 -3.807 1.00 0.00 C ATOM 505 CG LYS A 33 3.204 13.646 -3.679 1.00 0.00 C ATOM 506 CD LYS A 33 2.295 14.826 -3.368 1.00 0.00 C ATOM 507 CE LYS A 33 3.096 16.035 -2.905 1.00 0.00 C ATOM 508 NZ LYS A 33 4.031 16.519 -3.957 1.00 0.00 N ATOM 0 H LYS A 33 1.422 10.105 -4.062 1.00 0.00 H new ATOM 0 HA LYS A 33 3.623 11.303 -5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.613 12.503 -4.537 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.928 12.141 -2.852 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.949 13.540 -2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.746 13.836 -4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.718 15.087 -4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.580 14.543 -2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.413 16.839 -2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.661 15.775 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.379 17.466 -3.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.835 15.864 -4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.533 16.566 -4.869 1.00 0.00 H new ATOM 522 N LEU A 34 4.144 10.519 -2.062 1.00 0.00 N ATOM 523 CA LEU A 34 5.181 10.352 -1.051 1.00 0.00 C ATOM 524 C LEU A 34 6.199 9.301 -1.474 1.00 0.00 C ATOM 525 O LEU A 34 7.406 9.536 -1.424 1.00 0.00 O ATOM 526 CB LEU A 34 4.552 9.955 0.291 1.00 0.00 C ATOM 527 CG LEU A 34 3.678 11.024 0.959 1.00 0.00 C ATOM 528 CD1 LEU A 34 2.945 10.411 2.145 1.00 0.00 C ATOM 529 CD2 LEU A 34 4.549 12.192 1.397 1.00 0.00 C ATOM 0 H LEU A 34 3.207 10.265 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 34 5.698 11.305 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.947 9.062 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.352 9.684 0.980 1.00 0.00 H new ATOM 0 HG LEU A 34 2.937 11.396 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.324 11.170 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.316 9.591 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.671 10.033 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.928 12.951 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.298 11.841 2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.046 12.622 0.527 1.00 0.00 H new ATOM 541 N ALA A 35 5.704 8.140 -1.890 1.00 0.00 N ATOM 542 CA ALA A 35 6.569 7.015 -2.225 1.00 0.00 C ATOM 543 C ALA A 35 7.524 7.374 -3.356 1.00 0.00 C ATOM 544 O ALA A 35 8.721 7.094 -3.283 1.00 0.00 O ATOM 545 CB ALA A 35 5.735 5.799 -2.603 1.00 0.00 C ATOM 0 H ALA A 35 4.708 7.954 -2.003 1.00 0.00 H new ATOM 0 HA ALA A 35 7.164 6.774 -1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.395 4.968 -2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.098 5.519 -1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.114 6.038 -3.466 1.00 0.00 H new ATOM 551 N ASN A 36 6.988 7.994 -4.402 1.00 0.00 N ATOM 552 CA ASN A 36 7.769 8.293 -5.597 1.00 0.00 C ATOM 553 C ASN A 36 8.629 9.534 -5.399 1.00 0.00 C ATOM 554 O ASN A 36 9.346 9.954 -6.305 1.00 0.00 O ATOM 555 CB ASN A 36 6.858 8.460 -6.801 1.00 0.00 C ATOM 556 CG ASN A 36 6.300 7.152 -7.290 1.00 0.00 C ATOM 557 OD1 ASN A 36 6.829 6.080 -6.973 1.00 0.00 O ATOM 558 ND2 ASN A 36 5.243 7.218 -8.056 1.00 0.00 N ATOM 0 H ASN A 36 6.016 8.299 -4.447 1.00 0.00 H new ATOM 0 HA ASN A 36 8.436 7.451 -5.780 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.036 9.127 -6.540 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.413 8.939 -7.608 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.821 6.363 -8.418 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.840 8.125 -8.292 1.00 0.00 H new ATOM 565 N GLU A 37 8.550 10.117 -4.207 1.00 0.00 N ATOM 566 CA GLU A 37 9.473 11.172 -3.809 1.00 0.00 C ATOM 567 C GLU A 37 10.483 10.666 -2.788 1.00 0.00 C ATOM 568 O GLU A 37 11.297 11.432 -2.272 1.00 0.00 O ATOM 569 CB GLU A 37 8.704 12.363 -3.232 1.00 0.00 C ATOM 570 CG GLU A 37 7.874 13.130 -4.252 1.00 0.00 C ATOM 571 CD GLU A 37 7.095 14.262 -3.642 1.00 0.00 C ATOM 572 OE1 GLU A 37 7.235 14.486 -2.463 1.00 0.00 O ATOM 573 OE2 GLU A 37 6.360 14.904 -4.355 1.00 0.00 O ATOM 0 H GLU A 37 7.855 9.876 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 37 10.016 11.492 -4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.045 12.005 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.414 13.049 -2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.533 13.525 -5.026 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.184 12.443 -4.741 1.00 0.00 H new ATOM 580 N GLY A 38 10.425 9.370 -2.499 1.00 0.00 N ATOM 581 CA GLY A 38 11.428 8.727 -1.658 1.00 0.00 C ATOM 582 C GLY A 38 11.124 8.937 -0.180 1.00 0.00 C ATOM 583 O GLY A 38 11.990 8.753 0.674 1.00 0.00 O ATOM 0 H GLY A 38 9.693 8.744 -2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.460 7.660 -1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.414 9.130 -1.890 1.00 0.00 H new ATOM 587 N PHE A 39 9.887 9.322 0.115 1.00 0.00 N ATOM 588 CA PHE A 39 9.479 9.602 1.486 1.00 0.00 C ATOM 589 C PHE A 39 9.678 8.385 2.380 1.00 0.00 C ATOM 590 O PHE A 39 10.211 8.494 3.484 1.00 0.00 O ATOM 591 CB PHE A 39 8.013 10.038 1.529 1.00 0.00 C ATOM 592 CG PHE A 39 7.496 10.289 2.917 1.00 0.00 C ATOM 593 CD1 PHE A 39 7.715 11.505 3.546 1.00 0.00 C ATOM 594 CD2 PHE A 39 6.789 9.309 3.597 1.00 0.00 C ATOM 595 CE1 PHE A 39 7.239 11.737 4.823 1.00 0.00 C ATOM 596 CE2 PHE A 39 6.311 9.538 4.873 1.00 0.00 C ATOM 597 CZ PHE A 39 6.537 10.753 5.486 1.00 0.00 C ATOM 0 H PHE A 39 9.149 9.447 -0.578 1.00 0.00 H new ATOM 0 HA PHE A 39 10.107 10.411 1.859 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.896 10.946 0.938 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.401 9.270 1.057 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.264 12.280 3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.610 8.355 3.123 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.417 12.689 5.301 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.761 8.766 5.390 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.165 10.933 6.484 1.00 0.00 H new ATOM 607 N TYR A 40 9.245 7.225 1.897 1.00 0.00 N ATOM 608 CA TYR A 40 9.275 6.004 2.694 1.00 0.00 C ATOM 609 C TYR A 40 10.641 5.332 2.621 1.00 0.00 C ATOM 610 O TYR A 40 10.903 4.361 3.330 1.00 0.00 O ATOM 611 CB TYR A 40 8.183 5.038 2.232 1.00 0.00 C ATOM 612 CG TYR A 40 6.779 5.563 2.430 1.00 0.00 C ATOM 613 CD1 TYR A 40 6.219 5.584 3.698 1.00 0.00 C ATOM 614 CD2 TYR A 40 6.051 6.025 1.342 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.936 6.065 3.879 1.00 0.00 C ATOM 616 CE2 TYR A 40 4.768 6.505 1.524 1.00 0.00 C ATOM 617 CZ TYR A 40 4.212 6.524 2.797 1.00 0.00 C ATOM 618 OH TYR A 40 2.934 7.002 2.978 1.00 0.00 O ATOM 0 H TYR A 40 8.869 7.105 0.957 1.00 0.00 H new ATOM 0 HA TYR A 40 9.088 6.277 3.733 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.332 4.815 1.175 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.289 4.098 2.774 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.785 5.224 4.544 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.487 6.009 0.354 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.500 6.082 4.867 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.199 6.864 0.679 1.00 0.00 H new ATOM 0 HH TYR A 40 2.722 7.015 3.935 1.00 0.00 H new ATOM 628 N ASN A 41 11.506 5.856 1.760 1.00 0.00 N ATOM 629 CA ASN A 41 12.868 5.347 1.637 1.00 0.00 C ATOM 630 C ASN A 41 13.696 5.689 2.870 1.00 0.00 C ATOM 631 O ASN A 41 14.032 6.850 3.101 1.00 0.00 O ATOM 632 CB ASN A 41 13.529 5.887 0.383 1.00 0.00 C ATOM 633 CG ASN A 41 14.897 5.307 0.155 1.00 0.00 C ATOM 634 OD1 ASN A 41 15.588 4.924 1.106 1.00 0.00 O ATOM 635 ND2 ASN A 41 15.301 5.234 -1.087 1.00 0.00 N ATOM 0 H ASN A 41 11.289 6.633 1.136 1.00 0.00 H new ATOM 0 HA ASN A 41 12.815 4.261 1.559 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.898 5.669 -0.479 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.606 6.972 0.456 1.00 0.00 H new ATOM 0 HD21 ASN A 41 16.221 4.849 -1.302 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.696 5.562 -1.840 1.00 0.00 H new ATOM 642 N GLY A 42 14.021 4.670 3.658 1.00 0.00 N ATOM 643 CA GLY A 42 14.817 4.860 4.865 1.00 0.00 C ATOM 644 C GLY A 42 13.948 4.785 6.114 1.00 0.00 C ATOM 645 O GLY A 42 14.457 4.760 7.235 1.00 0.00 O ATOM 0 H GLY A 42 13.745 3.704 3.483 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.596 4.099 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.318 5.827 4.825 1.00 0.00 H new ATOM 649 N LEU A 43 12.635 4.751 5.914 1.00 0.00 N ATOM 650 CA LEU A 43 11.696 4.600 7.019 1.00 0.00 C ATOM 651 C LEU A 43 11.545 3.137 7.417 1.00 0.00 C ATOM 652 O LEU A 43 11.845 2.237 6.635 1.00 0.00 O ATOM 653 CB LEU A 43 10.328 5.175 6.634 1.00 0.00 C ATOM 654 CG LEU A 43 10.300 6.678 6.327 1.00 0.00 C ATOM 655 CD1 LEU A 43 8.857 7.158 6.260 1.00 0.00 C ATOM 656 CD2 LEU A 43 11.076 7.429 7.399 1.00 0.00 C ATOM 0 H LEU A 43 12.197 4.826 4.996 1.00 0.00 H new ATOM 0 HA LEU A 43 12.093 5.150 7.873 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.962 4.637 5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.629 4.976 7.446 1.00 0.00 H new ATOM 0 HG LEU A 43 10.770 6.869 5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.839 8.226 6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.330 6.618 5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.368 6.975 7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.057 8.497 7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.620 7.249 8.372 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.109 7.080 7.412 1.00 0.00 H new ATOM 668 N THR A 44 11.076 2.907 8.639 1.00 0.00 N ATOM 669 CA THR A 44 11.053 1.567 9.211 1.00 0.00 C ATOM 670 C THR A 44 9.636 1.150 9.586 1.00 0.00 C ATOM 671 O THR A 44 8.719 1.972 9.589 1.00 0.00 O ATOM 672 CB THR A 44 11.963 1.478 10.450 1.00 0.00 C ATOM 673 OG1 THR A 44 11.438 2.310 11.492 1.00 0.00 O ATOM 674 CG2 THR A 44 13.375 1.928 10.109 1.00 0.00 C ATOM 0 H THR A 44 10.706 3.633 9.253 1.00 0.00 H new ATOM 0 HA THR A 44 11.428 0.885 8.448 1.00 0.00 H new ATOM 0 HB THR A 44 11.995 0.441 10.785 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.017 2.251 12.281 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.004 1.858 10.997 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.781 1.288 9.325 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.354 2.960 9.760 1.00 0.00 H new ATOM 682 N PHE A 45 9.464 -0.128 9.900 1.00 0.00 N ATOM 683 CA PHE A 45 8.224 -0.610 10.498 1.00 0.00 C ATOM 684 C PHE A 45 8.319 -0.638 12.017 1.00 0.00 C ATOM 685 O PHE A 45 9.038 -1.457 12.589 1.00 0.00 O ATOM 686 CB PHE A 45 7.888 -2.010 9.977 1.00 0.00 C ATOM 687 CG PHE A 45 7.391 -2.025 8.560 1.00 0.00 C ATOM 688 CD1 PHE A 45 6.043 -1.855 8.281 1.00 0.00 C ATOM 689 CD2 PHE A 45 8.269 -2.210 7.502 1.00 0.00 C ATOM 690 CE1 PHE A 45 5.582 -1.871 6.978 1.00 0.00 C ATOM 691 CE2 PHE A 45 7.811 -2.225 6.198 1.00 0.00 C ATOM 692 CZ PHE A 45 6.469 -2.055 5.936 1.00 0.00 C ATOM 0 H PHE A 45 10.168 -0.851 9.750 1.00 0.00 H new ATOM 0 HA PHE A 45 7.430 0.080 10.214 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.777 -2.637 10.047 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.131 -2.456 10.623 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.345 -1.708 9.092 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.322 -2.344 7.699 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.529 -1.740 6.775 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.506 -2.370 5.384 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.111 -2.066 4.917 1.00 0.00 H new ATOM 702 N HIS A 46 7.590 0.263 12.668 1.00 0.00 N ATOM 703 CA HIS A 46 7.766 0.506 14.095 1.00 0.00 C ATOM 704 C HIS A 46 7.284 -0.681 14.918 1.00 0.00 C ATOM 705 O HIS A 46 7.921 -1.069 15.898 1.00 0.00 O ATOM 706 CB HIS A 46 7.017 1.771 14.524 1.00 0.00 C ATOM 707 CG HIS A 46 7.359 2.232 15.906 1.00 0.00 C ATOM 708 ND1 HIS A 46 8.626 2.646 16.261 1.00 0.00 N ATOM 709 CD2 HIS A 46 6.600 2.344 17.022 1.00 0.00 C ATOM 710 CE1 HIS A 46 8.631 2.993 17.536 1.00 0.00 C ATOM 711 NE2 HIS A 46 7.416 2.819 18.020 1.00 0.00 N ATOM 0 H HIS A 46 6.871 0.838 12.229 1.00 0.00 H new ATOM 0 HA HIS A 46 8.832 0.644 14.277 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.239 2.571 13.818 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.945 1.585 14.468 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.551 2.105 17.111 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.485 3.357 18.088 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.129 3.007 18.981 1.00 0.00 H new ATOM 718 N ARG A 47 6.155 -1.254 14.516 1.00 0.00 N ATOM 719 CA ARG A 47 5.535 -2.337 15.270 1.00 0.00 C ATOM 720 C ARG A 47 4.981 -3.409 14.341 1.00 0.00 C ATOM 721 O ARG A 47 3.834 -3.332 13.902 1.00 0.00 O ATOM 722 CB ARG A 47 4.414 -1.804 16.149 1.00 0.00 C ATOM 723 CG ARG A 47 4.868 -0.920 17.300 1.00 0.00 C ATOM 724 CD ARG A 47 5.567 -1.703 18.351 1.00 0.00 C ATOM 725 NE ARG A 47 5.952 -0.870 19.480 1.00 0.00 N ATOM 726 CZ ARG A 47 7.124 -0.214 19.583 1.00 0.00 C ATOM 727 NH1 ARG A 47 8.012 -0.301 18.617 1.00 0.00 N ATOM 728 NH2 ARG A 47 7.380 0.519 20.652 1.00 0.00 N ATOM 0 H ARG A 47 5.650 -0.986 13.671 1.00 0.00 H new ATOM 0 HA ARG A 47 6.307 -2.782 15.898 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.722 -1.237 15.526 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.858 -2.649 16.556 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.533 -0.143 16.922 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.005 -0.417 17.735 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.918 -2.507 18.697 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.455 -2.171 17.925 1.00 0.00 H new ATOM 0 HE ARG A 47 5.287 -0.776 20.248 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.813 -0.865 17.791 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.900 0.195 18.694 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.690 0.588 21.400 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.268 1.015 20.729 1.00 0.00 H new ATOM 742 N VAL A 48 5.803 -4.410 14.042 1.00 0.00 N ATOM 743 CA VAL A 48 5.370 -5.543 13.234 1.00 0.00 C ATOM 744 C VAL A 48 4.747 -6.630 14.100 1.00 0.00 C ATOM 745 O VAL A 48 5.432 -7.271 14.897 1.00 0.00 O ATOM 746 CB VAL A 48 6.562 -6.130 12.455 1.00 0.00 C ATOM 747 CG1 VAL A 48 6.130 -7.359 11.667 1.00 0.00 C ATOM 748 CG2 VAL A 48 7.147 -5.074 11.530 1.00 0.00 C ATOM 0 H VAL A 48 6.775 -4.459 14.348 1.00 0.00 H new ATOM 0 HA VAL A 48 4.618 -5.182 12.533 1.00 0.00 H new ATOM 0 HB VAL A 48 7.331 -6.437 13.164 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.984 -7.761 11.123 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.748 -8.115 12.353 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.347 -7.082 10.961 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.990 -5.496 10.982 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.384 -4.745 10.825 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.487 -4.222 12.119 1.00 0.00 H new ATOM 758 N ILE A 49 3.444 -6.836 13.937 1.00 0.00 N ATOM 759 CA ILE A 49 2.723 -7.834 14.716 1.00 0.00 C ATOM 760 C ILE A 49 2.027 -8.842 13.809 1.00 0.00 C ATOM 761 O ILE A 49 0.926 -8.594 13.317 1.00 0.00 O ATOM 762 CB ILE A 49 1.684 -7.168 15.635 1.00 0.00 C ATOM 763 CG1 ILE A 49 2.342 -6.074 16.480 1.00 0.00 C ATOM 764 CG2 ILE A 49 1.020 -8.206 16.528 1.00 0.00 C ATOM 765 CD1 ILE A 49 1.360 -5.239 17.271 1.00 0.00 C ATOM 0 H ILE A 49 2.866 -6.324 13.271 1.00 0.00 H new ATOM 0 HA ILE A 49 3.456 -8.359 15.329 1.00 0.00 H new ATOM 0 HB ILE A 49 0.916 -6.708 15.013 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.049 -6.536 17.169 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.917 -5.419 15.825 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.288 -7.718 17.171 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.520 -8.951 15.910 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.776 -8.694 17.143 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.901 -4.486 17.844 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.668 -4.747 16.588 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.802 -5.881 17.952 1.00 0.00 H new ATOM 777 N PRO A 50 2.676 -9.982 13.593 1.00 0.00 N ATOM 778 CA PRO A 50 2.112 -11.038 12.761 1.00 0.00 C ATOM 779 C PRO A 50 0.897 -11.672 13.427 1.00 0.00 C ATOM 780 O PRO A 50 0.885 -11.895 14.638 1.00 0.00 O ATOM 781 CB PRO A 50 3.270 -12.033 12.635 1.00 0.00 C ATOM 782 CG PRO A 50 4.078 -11.813 13.868 1.00 0.00 C ATOM 783 CD PRO A 50 4.020 -10.325 14.092 1.00 0.00 C ATOM 0 HA PRO A 50 1.752 -10.682 11.796 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.908 -13.059 12.574 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.858 -11.848 11.736 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.665 -12.359 14.716 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.104 -12.156 13.737 1.00 0.00 H new ATOM 0 HD2 PRO A 50 4.141 -10.068 15.144 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.803 -9.801 13.544 1.00 0.00 H new ATOM 791 N GLY A 51 -0.125 -11.962 12.628 1.00 0.00 N ATOM 792 CA GLY A 51 -1.374 -12.505 13.149 1.00 0.00 C ATOM 793 C GLY A 51 -2.302 -11.394 13.622 1.00 0.00 C ATOM 794 O GLY A 51 -3.369 -11.658 14.179 1.00 0.00 O ATOM 0 H GLY A 51 -0.112 -11.830 11.617 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.869 -13.092 12.375 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.162 -13.182 13.976 1.00 0.00 H new ATOM 798 N PHE A 52 -1.892 -10.151 13.399 1.00 0.00 N ATOM 799 CA PHE A 52 -2.703 -8.997 13.768 1.00 0.00 C ATOM 800 C PHE A 52 -2.519 -7.854 12.778 1.00 0.00 C ATOM 801 O PHE A 52 -3.161 -7.819 11.728 1.00 0.00 O ATOM 802 CB PHE A 52 -2.345 -8.520 15.177 1.00 0.00 C ATOM 803 CG PHE A 52 -3.177 -7.364 15.655 1.00 0.00 C ATOM 804 CD1 PHE A 52 -4.556 -7.478 15.754 1.00 0.00 C ATOM 805 CD2 PHE A 52 -2.583 -6.162 16.007 1.00 0.00 C ATOM 806 CE1 PHE A 52 -5.323 -6.415 16.194 1.00 0.00 C ATOM 807 CE2 PHE A 52 -3.346 -5.098 16.448 1.00 0.00 C ATOM 808 CZ PHE A 52 -4.718 -5.226 16.541 1.00 0.00 C ATOM 0 H PHE A 52 -1.000 -9.916 12.963 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.748 -9.307 13.747 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.461 -9.351 15.872 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.294 -8.232 15.197 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.036 -8.407 15.484 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.511 -6.056 15.936 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.396 -6.516 16.266 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.870 -4.167 16.720 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.316 -4.395 16.885 1.00 0.00 H new ATOM 818 N VAL A 53 -1.638 -6.919 13.118 1.00 0.00 N ATOM 819 CA VAL A 53 -1.401 -5.749 12.282 1.00 0.00 C ATOM 820 C VAL A 53 0.061 -5.322 12.334 1.00 0.00 C ATOM 821 O VAL A 53 0.630 -5.153 13.412 1.00 0.00 O ATOM 822 CB VAL A 53 -2.292 -4.578 12.737 1.00 0.00 C ATOM 823 CG1 VAL A 53 -1.973 -3.324 11.935 1.00 0.00 C ATOM 824 CG2 VAL A 53 -3.757 -4.955 12.589 1.00 0.00 C ATOM 0 H VAL A 53 -1.076 -6.949 13.968 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.649 -6.019 11.256 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.091 -4.367 13.787 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.611 -2.506 12.269 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.928 -3.053 12.084 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.151 -3.514 10.877 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.381 -4.122 12.913 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.970 -5.184 11.545 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.972 -5.829 13.203 1.00 0.00 H new ATOM 834 N SER A 54 0.664 -5.149 11.163 1.00 0.00 N ATOM 835 CA SER A 54 2.016 -4.611 11.069 1.00 0.00 C ATOM 836 C SER A 54 1.995 -3.120 10.755 1.00 0.00 C ATOM 837 O SER A 54 1.705 -2.717 9.628 1.00 0.00 O ATOM 838 CB SER A 54 2.799 -5.351 10.002 1.00 0.00 C ATOM 839 OG SER A 54 2.902 -6.713 10.308 1.00 0.00 O ATOM 0 H SER A 54 0.237 -5.374 10.264 1.00 0.00 H new ATOM 0 HA SER A 54 2.501 -4.750 12.035 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.310 -5.228 9.036 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.796 -4.919 9.912 1.00 0.00 H new ATOM 0 HG SER A 54 2.515 -7.242 9.580 1.00 0.00 H new ATOM 845 N GLN A 55 2.304 -2.306 11.758 1.00 0.00 N ATOM 846 CA GLN A 55 2.192 -0.857 11.631 1.00 0.00 C ATOM 847 C GLN A 55 3.544 -0.225 11.324 1.00 0.00 C ATOM 848 O GLN A 55 4.545 -0.533 11.970 1.00 0.00 O ATOM 849 CB GLN A 55 1.611 -0.250 12.910 1.00 0.00 C ATOM 850 CG GLN A 55 1.369 1.248 12.835 1.00 0.00 C ATOM 851 CD GLN A 55 0.702 1.790 14.085 1.00 0.00 C ATOM 852 OE1 GLN A 55 0.368 1.038 15.003 1.00 0.00 O ATOM 853 NE2 GLN A 55 0.503 3.103 14.125 1.00 0.00 N ATOM 0 H GLN A 55 2.634 -2.625 12.669 1.00 0.00 H new ATOM 0 HA GLN A 55 1.519 -0.648 10.800 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.669 -0.748 13.139 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.290 -0.456 13.737 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.319 1.760 12.683 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.746 1.470 11.969 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.796 3.687 13.342 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.057 3.527 14.939 1.00 0.00 H new ATOM 862 N GLY A 56 3.566 0.660 10.333 1.00 0.00 N ATOM 863 CA GLY A 56 4.795 1.340 9.941 1.00 0.00 C ATOM 864 C GLY A 56 5.166 2.426 10.942 1.00 0.00 C ATOM 865 O GLY A 56 4.363 2.797 11.797 1.00 0.00 O ATOM 0 H GLY A 56 2.746 0.923 9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.607 0.616 9.868 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.671 1.781 8.952 1.00 0.00 H new ATOM 869 N GLY A 57 6.390 2.933 10.830 1.00 0.00 N ATOM 870 CA GLY A 57 6.877 3.963 11.739 1.00 0.00 C ATOM 871 C GLY A 57 6.721 5.352 11.132 1.00 0.00 C ATOM 872 O GLY A 57 5.694 5.664 10.529 1.00 0.00 O ATOM 0 H GLY A 57 7.062 2.647 10.118 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.329 3.911 12.680 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.926 3.780 11.971 1.00 0.00 H new ATOM 876 N CYS A 58 7.745 6.182 11.294 1.00 0.00 N ATOM 877 CA CYS A 58 7.696 7.561 10.825 1.00 0.00 C ATOM 878 C CYS A 58 9.095 8.153 10.705 1.00 0.00 C ATOM 879 O CYS A 58 10.057 7.610 11.248 1.00 0.00 O ATOM 880 CB CYS A 58 6.863 8.423 11.773 1.00 0.00 C ATOM 881 SG CYS A 58 7.571 8.595 13.429 1.00 0.00 S ATOM 0 H CYS A 58 8.621 5.923 11.748 1.00 0.00 H new ATOM 0 HA CYS A 58 7.232 7.554 9.839 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.744 9.414 11.336 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.866 7.991 11.859 1.00 0.00 H new ATOM 0 HG CYS A 58 7.024 9.609 14.032 1.00 0.00 H new ATOM 887 N PRO A 59 9.201 9.269 9.992 1.00 0.00 N ATOM 888 CA PRO A 59 10.482 9.937 9.801 1.00 0.00 C ATOM 889 C PRO A 59 11.145 10.249 11.136 1.00 0.00 C ATOM 890 O PRO A 59 12.372 10.271 11.241 1.00 0.00 O ATOM 891 CB PRO A 59 10.096 11.215 9.049 1.00 0.00 C ATOM 892 CG PRO A 59 8.869 10.837 8.291 1.00 0.00 C ATOM 893 CD PRO A 59 8.111 9.938 9.231 1.00 0.00 C ATOM 0 HA PRO A 59 11.209 9.330 9.261 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.902 12.038 9.736 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.893 11.540 8.380 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.282 11.715 8.021 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.118 10.322 7.363 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.448 10.503 9.886 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.492 9.220 8.694 1.00 0.00 H new ATOM 901 N ARG A 60 10.328 10.490 12.155 1.00 0.00 N ATOM 902 CA ARG A 60 10.832 10.859 13.472 1.00 0.00 C ATOM 903 C ARG A 60 11.386 9.646 14.209 1.00 0.00 C ATOM 904 O ARG A 60 12.220 9.779 15.105 1.00 0.00 O ATOM 905 CB ARG A 60 9.733 11.497 14.307 1.00 0.00 C ATOM 906 CG ARG A 60 9.203 12.817 13.767 1.00 0.00 C ATOM 907 CD ARG A 60 8.176 13.405 14.664 1.00 0.00 C ATOM 908 NE ARG A 60 8.740 13.817 15.939 1.00 0.00 N ATOM 909 CZ ARG A 60 8.021 14.268 16.985 1.00 0.00 C ATOM 910 NH1 ARG A 60 6.713 14.359 16.891 1.00 0.00 N ATOM 911 NH2 ARG A 60 8.629 14.618 18.104 1.00 0.00 N ATOM 0 H ARG A 60 9.311 10.436 12.094 1.00 0.00 H new ATOM 0 HA ARG A 60 11.637 11.578 13.324 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.903 10.795 14.387 1.00 0.00 H new ATOM 0 HB3 ARG A 60 10.111 11.660 15.316 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.028 13.519 13.649 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.774 12.659 12.777 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.717 14.265 14.176 1.00 0.00 H new ATOM 0 HD3 ARG A 60 7.384 12.676 14.836 1.00 0.00 H new ATOM 0 HE ARG A 60 9.752 13.761 16.049 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.244 14.088 16.027 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.167 14.700 17.682 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.644 14.547 18.177 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.084 14.959 18.895 1.00 0.00 H new ATOM 925 N GLY A 61 10.917 8.463 13.827 1.00 0.00 N ATOM 926 CA GLY A 61 11.381 7.222 14.435 1.00 0.00 C ATOM 927 C GLY A 61 10.800 7.041 15.831 1.00 0.00 C ATOM 928 O GLY A 61 11.270 6.210 16.608 1.00 0.00 O ATOM 0 H GLY A 61 10.215 8.338 13.098 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.096 6.378 13.807 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.470 7.225 14.489 1.00 0.00 H new ATOM 932 N ASN A 62 9.772 7.823 16.144 1.00 0.00 N ATOM 933 CA ASN A 62 9.141 7.770 17.457 1.00 0.00 C ATOM 934 C ASN A 62 7.845 6.969 17.413 1.00 0.00 C ATOM 935 O ASN A 62 7.268 6.646 18.451 1.00 0.00 O ATOM 936 CB ASN A 62 8.885 9.169 17.985 1.00 0.00 C ATOM 937 CG ASN A 62 10.156 9.906 18.307 1.00 0.00 C ATOM 938 OD1 ASN A 62 11.162 9.295 18.685 1.00 0.00 O ATOM 939 ND2 ASN A 62 10.129 11.206 18.165 1.00 0.00 N ATOM 0 H ASN A 62 9.358 8.502 15.505 1.00 0.00 H new ATOM 0 HA ASN A 62 9.826 7.264 18.137 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.318 9.735 17.245 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.267 9.108 18.881 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.962 11.759 18.369 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.275 11.667 17.850 1.00 0.00 H new ATOM 946 N GLY A 63 7.392 6.651 16.204 1.00 0.00 N ATOM 947 CA GLY A 63 6.141 5.927 16.021 1.00 0.00 C ATOM 948 C GLY A 63 4.987 6.881 15.741 1.00 0.00 C ATOM 949 O GLY A 63 3.895 6.456 15.368 1.00 0.00 O ATOM 0 H GLY A 63 7.874 6.884 15.336 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.243 5.223 15.195 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.923 5.341 16.914 1.00 0.00 H new ATOM 953 N THR A 64 5.238 8.173 15.921 1.00 0.00 N ATOM 954 CA THR A 64 4.220 9.191 15.692 1.00 0.00 C ATOM 955 C THR A 64 4.578 10.070 14.500 1.00 0.00 C ATOM 956 O THR A 64 5.546 10.829 14.547 1.00 0.00 O ATOM 957 CB THR A 64 4.020 10.068 16.942 1.00 0.00 C ATOM 958 OG1 THR A 64 3.595 9.250 18.040 1.00 0.00 O ATOM 959 CG2 THR A 64 2.975 11.141 16.678 1.00 0.00 C ATOM 0 H THR A 64 6.140 8.540 16.225 1.00 0.00 H new ATOM 0 HA THR A 64 3.287 8.671 15.475 1.00 0.00 H new ATOM 0 HB THR A 64 4.967 10.550 17.185 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.470 9.809 18.835 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.846 11.751 17.572 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.302 11.772 15.852 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.026 10.670 16.421 1.00 0.00 H new ATOM 967 N GLY A 65 3.793 9.963 13.435 1.00 0.00 N ATOM 968 CA GLY A 65 4.059 10.706 12.209 1.00 0.00 C ATOM 969 C GLY A 65 3.826 12.198 12.408 1.00 0.00 C ATOM 970 O GLY A 65 2.953 12.603 13.176 1.00 0.00 O ATOM 0 H GLY A 65 2.966 9.368 13.395 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.088 10.535 11.893 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.415 10.338 11.410 1.00 0.00 H new ATOM 974 N ASP A 66 4.613 13.012 11.713 1.00 0.00 N ATOM 975 CA ASP A 66 4.455 14.461 11.766 1.00 0.00 C ATOM 976 C ASP A 66 4.975 15.119 10.494 1.00 0.00 C ATOM 977 O ASP A 66 5.641 16.153 10.546 1.00 0.00 O ATOM 978 CB ASP A 66 5.186 15.036 12.981 1.00 0.00 C ATOM 979 CG ASP A 66 4.730 16.446 13.334 1.00 0.00 C ATOM 980 OD1 ASP A 66 3.704 16.857 12.847 1.00 0.00 O ATOM 981 OD2 ASP A 66 5.413 17.098 14.087 1.00 0.00 O ATOM 0 H ASP A 66 5.368 12.693 11.106 1.00 0.00 H new ATOM 0 HA ASP A 66 3.390 14.674 11.855 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.025 14.382 13.838 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.258 15.045 12.783 1.00 0.00 H new ATOM 986 N ALA A 67 4.668 14.513 9.352 1.00 0.00 N ATOM 987 CA ALA A 67 5.168 14.996 8.070 1.00 0.00 C ATOM 988 C ALA A 67 4.415 16.240 7.619 1.00 0.00 C ATOM 989 O ALA A 67 4.935 17.048 6.849 1.00 0.00 O ATOM 990 CB ALA A 67 5.066 13.903 7.016 1.00 0.00 C ATOM 0 H ALA A 67 4.075 13.686 9.288 1.00 0.00 H new ATOM 0 HA ALA A 67 6.217 15.265 8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.443 14.279 6.065 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.658 13.042 7.326 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.024 13.605 6.901 1.00 0.00 H new ATOM 996 N GLY A 68 3.185 16.389 8.101 1.00 0.00 N ATOM 997 CA GLY A 68 2.387 17.574 7.812 1.00 0.00 C ATOM 998 C GLY A 68 1.377 17.303 6.705 1.00 0.00 C ATOM 999 O GLY A 68 0.548 18.155 6.386 1.00 0.00 O ATOM 0 H GLY A 68 2.719 15.702 8.694 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.865 17.892 8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.042 18.394 7.517 1.00 0.00 H new ATOM 1003 N TYR A 69 1.452 16.112 6.121 1.00 0.00 N ATOM 1004 CA TYR A 69 0.554 15.731 5.038 1.00 0.00 C ATOM 1005 C TYR A 69 -0.769 15.204 5.580 1.00 0.00 C ATOM 1006 O TYR A 69 -1.083 14.022 5.435 1.00 0.00 O ATOM 1007 CB TYR A 69 1.213 14.684 4.138 1.00 0.00 C ATOM 1008 CG TYR A 69 2.371 15.220 3.325 1.00 0.00 C ATOM 1009 CD1 TYR A 69 3.632 15.321 3.895 1.00 0.00 C ATOM 1010 CD2 TYR A 69 2.171 15.612 2.010 1.00 0.00 C ATOM 1011 CE1 TYR A 69 4.688 15.811 3.152 1.00 0.00 C ATOM 1012 CE2 TYR A 69 3.228 16.102 1.267 1.00 0.00 C ATOM 1013 CZ TYR A 69 4.482 16.202 1.834 1.00 0.00 C ATOM 1014 OH TYR A 69 5.535 16.690 1.093 1.00 0.00 O ATOM 0 H TYR A 69 2.127 15.393 6.380 1.00 0.00 H new ATOM 0 HA TYR A 69 0.347 16.623 4.446 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.566 13.858 4.755 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.463 14.277 3.460 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.788 15.017 4.919 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.189 15.534 1.567 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.670 15.890 3.593 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.073 16.407 0.243 1.00 0.00 H new ATOM 0 HH TYR A 69 5.224 16.917 0.192 1.00 0.00 H new ATOM 1024 N THR A 70 -1.541 16.087 6.203 1.00 0.00 N ATOM 1025 CA THR A 70 -2.852 15.723 6.727 1.00 0.00 C ATOM 1026 C THR A 70 -3.885 15.631 5.613 1.00 0.00 C ATOM 1027 O THR A 70 -4.141 16.608 4.908 1.00 0.00 O ATOM 1028 CB THR A 70 -3.325 16.733 7.789 1.00 0.00 C ATOM 1029 OG1 THR A 70 -2.381 16.774 8.868 1.00 0.00 O ATOM 1030 CG2 THR A 70 -4.691 16.339 8.330 1.00 0.00 C ATOM 0 H THR A 70 -1.281 17.061 6.358 1.00 0.00 H new ATOM 0 HA THR A 70 -2.751 14.743 7.193 1.00 0.00 H new ATOM 0 HB THR A 70 -3.400 17.716 7.325 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.682 17.418 9.542 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.009 17.064 9.079 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.414 16.320 7.514 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.631 15.350 8.785 1.00 0.00 H new ATOM 1038 N ILE A 71 -4.477 14.452 5.457 1.00 0.00 N ATOM 1039 CA ILE A 71 -5.459 14.221 4.403 1.00 0.00 C ATOM 1040 C ILE A 71 -6.805 13.811 4.984 1.00 0.00 C ATOM 1041 O ILE A 71 -6.878 13.277 6.091 1.00 0.00 O ATOM 1042 CB ILE A 71 -4.969 13.137 3.425 1.00 0.00 C ATOM 1043 CG1 ILE A 71 -4.739 11.816 4.164 1.00 0.00 C ATOM 1044 CG2 ILE A 71 -3.696 13.587 2.725 1.00 0.00 C ATOM 1045 CD1 ILE A 71 -4.459 10.645 3.250 1.00 0.00 C ATOM 0 H ILE A 71 -4.294 13.641 6.047 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.582 15.160 3.863 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.738 12.980 2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.902 11.936 4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.618 11.591 4.768 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.364 12.809 2.038 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.891 14.503 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.919 13.772 3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.307 9.746 3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.305 10.497 2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.563 10.847 2.664 1.00 0.00 H new ATOM 1057 N PRO A 72 -7.870 14.064 4.232 1.00 0.00 N ATOM 1058 CA PRO A 72 -9.213 13.676 4.649 1.00 0.00 C ATOM 1059 C PRO A 72 -9.405 12.168 4.552 1.00 0.00 C ATOM 1060 O PRO A 72 -8.689 11.487 3.817 1.00 0.00 O ATOM 1061 CB PRO A 72 -10.112 14.425 3.659 1.00 0.00 C ATOM 1062 CG PRO A 72 -9.282 14.537 2.425 1.00 0.00 C ATOM 1063 CD PRO A 72 -7.886 14.781 2.933 1.00 0.00 C ATOM 0 HA PRO A 72 -9.430 13.922 5.688 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.037 13.880 3.469 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -10.393 15.407 4.040 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.334 13.627 1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.622 15.355 1.790 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.134 14.390 2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -7.682 15.845 3.057 1.00 0.00 H new ATOM 1071 N CYS A 73 -10.376 11.652 5.297 1.00 0.00 N ATOM 1072 CA CYS A 73 -10.667 10.223 5.294 1.00 0.00 C ATOM 1073 C CYS A 73 -11.728 9.879 4.255 1.00 0.00 C ATOM 1074 O CYS A 73 -12.707 10.607 4.090 1.00 0.00 O ATOM 1075 CB CYS A 73 -11.145 9.768 6.672 1.00 0.00 C ATOM 1076 SG CYS A 73 -9.872 9.838 7.955 1.00 0.00 S ATOM 0 H CYS A 73 -10.976 12.203 5.911 1.00 0.00 H new ATOM 0 HA CYS A 73 -9.744 9.702 5.040 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.987 10.390 6.976 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -11.515 8.745 6.597 1.00 0.00 H new ATOM 0 HG CYS A 73 -10.373 9.436 9.085 1.00 0.00 H new ATOM 1082 N GLU A 74 -11.527 8.767 3.557 1.00 0.00 N ATOM 1083 CA GLU A 74 -12.390 8.397 2.442 1.00 0.00 C ATOM 1084 C GLU A 74 -13.543 7.518 2.907 1.00 0.00 C ATOM 1085 O GLU A 74 -14.485 7.263 2.157 1.00 0.00 O ATOM 1086 CB GLU A 74 -11.585 7.669 1.363 1.00 0.00 C ATOM 1087 CG GLU A 74 -10.438 8.482 0.779 1.00 0.00 C ATOM 1088 CD GLU A 74 -10.900 9.528 -0.196 1.00 0.00 C ATOM 1089 OE1 GLU A 74 -11.659 10.383 0.193 1.00 0.00 O ATOM 1090 OE2 GLU A 74 -10.493 9.473 -1.332 1.00 0.00 O ATOM 0 H GLU A 74 -10.773 8.106 3.744 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.804 9.314 2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.183 6.748 1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.259 7.382 0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.891 8.964 1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.740 7.810 0.280 1.00 0.00 H new ATOM 1097 N THR A 75 -13.465 7.055 4.151 1.00 0.00 N ATOM 1098 CA THR A 75 -14.470 6.153 4.699 1.00 0.00 C ATOM 1099 C THR A 75 -15.789 6.877 4.936 1.00 0.00 C ATOM 1100 O THR A 75 -16.832 6.247 5.109 1.00 0.00 O ATOM 1101 CB THR A 75 -13.986 5.515 6.013 1.00 0.00 C ATOM 1102 OG1 THR A 75 -13.769 6.540 6.992 1.00 0.00 O ATOM 1103 CG2 THR A 75 -12.691 4.750 5.791 1.00 0.00 C ATOM 0 H THR A 75 -12.714 7.291 4.799 1.00 0.00 H new ATOM 0 HA THR A 75 -14.630 5.364 3.964 1.00 0.00 H new ATOM 0 HB THR A 75 -14.749 4.821 6.365 1.00 0.00 H new ATOM 0 HG1 THR A 75 -13.953 6.183 7.886 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.365 4.306 6.732 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.855 3.962 5.056 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.923 5.432 5.426 1.00 0.00 H new ATOM 1111 N ASP A 76 -15.736 8.205 4.944 1.00 0.00 N ATOM 1112 CA ASP A 76 -16.937 9.019 5.081 1.00 0.00 C ATOM 1113 C ASP A 76 -17.825 8.903 3.850 1.00 0.00 C ATOM 1114 O ASP A 76 -19.044 9.064 3.932 1.00 0.00 O ATOM 1115 CB ASP A 76 -16.568 10.486 5.315 1.00 0.00 C ATOM 1116 CG ASP A 76 -16.059 10.751 6.726 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -16.180 9.879 7.554 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -15.554 11.823 6.962 1.00 0.00 O ATOM 0 H ASP A 76 -14.872 8.741 4.857 1.00 0.00 H new ATOM 0 HA ASP A 76 -17.491 8.647 5.943 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.804 10.782 4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -17.442 11.110 5.126 1.00 0.00 H new ATOM 1123 N ASN A 77 -17.209 8.623 2.706 1.00 0.00 N ATOM 1124 CA ASN A 77 -17.945 8.460 1.458 1.00 0.00 C ATOM 1125 C ASN A 77 -18.068 6.990 1.079 1.00 0.00 C ATOM 1126 O ASN A 77 -19.044 6.581 0.449 1.00 0.00 O ATOM 1127 CB ASN A 77 -17.284 9.247 0.342 1.00 0.00 C ATOM 1128 CG ASN A 77 -17.384 10.734 0.545 1.00 0.00 C ATOM 1129 OD1 ASN A 77 -18.473 11.312 0.462 1.00 0.00 O ATOM 1130 ND2 ASN A 77 -16.267 11.363 0.808 1.00 0.00 N ATOM 0 H ASN A 77 -16.200 8.504 2.618 1.00 0.00 H new ATOM 0 HA ASN A 77 -18.951 8.852 1.608 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.234 8.963 0.275 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -17.747 8.982 -0.608 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -16.272 12.372 0.954 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -15.391 10.844 0.867 1.00 0.00 H new ATOM 1137 N ASN A 78 -17.072 6.199 1.464 1.00 0.00 N ATOM 1138 CA ASN A 78 -17.091 4.764 1.210 1.00 0.00 C ATOM 1139 C ASN A 78 -16.303 4.007 2.270 1.00 0.00 C ATOM 1140 O ASN A 78 -15.098 3.800 2.132 1.00 0.00 O ATOM 1141 CB ASN A 78 -16.551 4.460 -0.176 1.00 0.00 C ATOM 1142 CG ASN A 78 -16.809 3.041 -0.598 1.00 0.00 C ATOM 1143 OD1 ASN A 78 -17.089 2.173 0.237 1.00 0.00 O ATOM 1144 ND2 ASN A 78 -16.720 2.787 -1.878 1.00 0.00 N ATOM 0 H ASN A 78 -16.240 6.529 1.954 1.00 0.00 H new ATOM 0 HA ASN A 78 -18.127 4.428 1.259 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -17.008 5.138 -0.897 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -15.478 4.651 -0.194 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -16.884 1.841 -2.223 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -16.486 3.535 -2.531 1.00 0.00 H new ATOM 1151 N PRO A 79 -16.991 3.594 3.329 1.00 0.00 N ATOM 1152 CA PRO A 79 -16.350 2.884 4.431 1.00 0.00 C ATOM 1153 C PRO A 79 -15.564 1.681 3.927 1.00 0.00 C ATOM 1154 O PRO A 79 -16.043 0.922 3.085 1.00 0.00 O ATOM 1155 CB PRO A 79 -17.536 2.459 5.302 1.00 0.00 C ATOM 1156 CG PRO A 79 -18.560 3.517 5.068 1.00 0.00 C ATOM 1157 CD PRO A 79 -18.425 3.851 3.607 1.00 0.00 C ATOM 0 HA PRO A 79 -15.622 3.490 4.971 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -17.908 1.475 5.016 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.257 2.401 6.354 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -19.562 3.159 5.303 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -18.379 4.391 5.694 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.072 3.227 2.990 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -18.694 4.888 3.405 1.00 0.00 H new ATOM 1165 N HIS A 80 -14.353 1.511 4.448 1.00 0.00 N ATOM 1166 CA HIS A 80 -13.484 0.420 4.026 1.00 0.00 C ATOM 1167 C HIS A 80 -13.421 -0.674 5.084 1.00 0.00 C ATOM 1168 O HIS A 80 -13.345 -0.391 6.279 1.00 0.00 O ATOM 1169 CB HIS A 80 -12.071 0.936 3.733 1.00 0.00 C ATOM 1170 CG HIS A 80 -12.003 1.874 2.568 1.00 0.00 C ATOM 1171 ND1 HIS A 80 -12.218 3.231 2.692 1.00 0.00 N ATOM 1172 CD2 HIS A 80 -11.747 1.651 1.257 1.00 0.00 C ATOM 1173 CE1 HIS A 80 -12.095 3.803 1.506 1.00 0.00 C ATOM 1174 NE2 HIS A 80 -11.810 2.867 0.620 1.00 0.00 N ATOM 0 H HIS A 80 -13.951 2.116 5.164 1.00 0.00 H new ATOM 0 HA HIS A 80 -13.906 -0.002 3.114 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -11.688 1.442 4.619 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -11.415 0.086 3.543 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -11.533 0.697 0.798 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.208 4.857 1.298 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -11.661 3.021 -0.377 1.00 0.00 H new ATOM 1181 N ARG A 81 -13.453 -1.925 4.636 1.00 0.00 N ATOM 1182 CA ARG A 81 -13.296 -3.064 5.533 1.00 0.00 C ATOM 1183 C ARG A 81 -11.837 -3.490 5.632 1.00 0.00 C ATOM 1184 O ARG A 81 -11.073 -3.351 4.676 1.00 0.00 O ATOM 1185 CB ARG A 81 -14.133 -4.240 5.056 1.00 0.00 C ATOM 1186 CG ARG A 81 -15.637 -4.018 5.108 1.00 0.00 C ATOM 1187 CD ARG A 81 -16.387 -5.233 4.699 1.00 0.00 C ATOM 1188 NE ARG A 81 -17.816 -4.982 4.603 1.00 0.00 N ATOM 1189 CZ ARG A 81 -18.729 -5.896 4.222 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -18.348 -7.113 3.904 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -20.009 -5.569 4.167 1.00 0.00 N ATOM 0 H ARG A 81 -13.586 -2.176 3.656 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.638 -2.753 6.520 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.850 -4.476 4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.888 -5.112 5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -15.928 -3.734 6.119 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.905 -3.188 4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.014 -5.583 3.736 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.206 -6.031 5.419 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.150 -4.048 4.841 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.361 -7.366 3.946 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.040 -7.805 3.616 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -20.305 -4.624 4.413 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.700 -6.261 3.878 1.00 0.00 H new ATOM 1205 N HIS A 82 -11.455 -4.012 6.794 1.00 0.00 N ATOM 1206 CA HIS A 82 -10.076 -4.422 7.033 1.00 0.00 C ATOM 1207 C HIS A 82 -9.961 -5.938 7.119 1.00 0.00 C ATOM 1208 O HIS A 82 -10.416 -6.552 8.084 1.00 0.00 O ATOM 1209 CB HIS A 82 -9.541 -3.789 8.321 1.00 0.00 C ATOM 1210 CG HIS A 82 -9.354 -2.306 8.230 1.00 0.00 C ATOM 1211 ND1 HIS A 82 -10.410 -1.420 8.270 1.00 0.00 N ATOM 1212 CD2 HIS A 82 -8.236 -1.553 8.100 1.00 0.00 C ATOM 1213 CE1 HIS A 82 -9.949 -0.185 8.170 1.00 0.00 C ATOM 1214 NE2 HIS A 82 -8.633 -0.240 8.065 1.00 0.00 N ATOM 0 H HIS A 82 -12.082 -4.161 7.585 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.478 -4.076 6.190 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -10.229 -4.010 9.137 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.587 -4.252 8.574 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -11.393 -1.677 8.362 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -7.221 -1.918 8.036 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.546 0.715 8.174 1.00 0.00 H new ATOM 1221 N VAL A 83 -9.347 -6.538 6.105 1.00 0.00 N ATOM 1222 CA VAL A 83 -9.188 -7.986 6.054 1.00 0.00 C ATOM 1223 C VAL A 83 -7.730 -8.373 5.836 1.00 0.00 C ATOM 1224 O VAL A 83 -6.864 -7.509 5.689 1.00 0.00 O ATOM 1225 CB VAL A 83 -10.047 -8.579 4.923 1.00 0.00 C ATOM 1226 CG1 VAL A 83 -11.522 -8.302 5.174 1.00 0.00 C ATOM 1227 CG2 VAL A 83 -9.610 -8.004 3.584 1.00 0.00 C ATOM 0 H VAL A 83 -8.951 -6.043 5.306 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.517 -8.389 7.012 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.905 -9.660 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.115 -8.728 4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.821 -8.754 6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.688 -7.226 5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.222 -8.428 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.731 -6.921 3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.563 -8.250 3.407 1.00 0.00 H new ATOM 1237 N THR A 84 -7.465 -9.673 5.817 1.00 0.00 N ATOM 1238 CA THR A 84 -6.110 -10.176 5.623 1.00 0.00 C ATOM 1239 C THR A 84 -5.512 -9.660 4.320 1.00 0.00 C ATOM 1240 O THR A 84 -6.055 -9.893 3.240 1.00 0.00 O ATOM 1241 CB THR A 84 -6.084 -11.716 5.628 1.00 0.00 C ATOM 1242 OG1 THR A 84 -6.624 -12.201 6.864 1.00 0.00 O ATOM 1243 CG2 THR A 84 -4.659 -12.226 5.467 1.00 0.00 C ATOM 0 H THR A 84 -8.171 -10.400 5.934 1.00 0.00 H new ATOM 0 HA THR A 84 -5.508 -9.810 6.455 1.00 0.00 H new ATOM 0 HB THR A 84 -6.685 -12.078 4.794 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.998 -12.008 7.593 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.660 -13.316 5.473 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.249 -11.868 4.522 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.046 -11.859 6.290 1.00 0.00 H new ATOM 1251 N GLY A 85 -4.390 -8.956 4.428 1.00 0.00 N ATOM 1252 CA GLY A 85 -3.675 -8.471 3.254 1.00 0.00 C ATOM 1253 C GLY A 85 -3.879 -6.973 3.065 1.00 0.00 C ATOM 1254 O GLY A 85 -3.072 -6.303 2.420 1.00 0.00 O ATOM 0 H GLY A 85 -3.956 -8.709 5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.611 -8.686 3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.022 -9.003 2.368 1.00 0.00 H new ATOM 1258 N ALA A 86 -4.962 -6.453 3.632 1.00 0.00 N ATOM 1259 CA ALA A 86 -5.364 -5.072 3.391 1.00 0.00 C ATOM 1260 C ALA A 86 -4.292 -4.096 3.860 1.00 0.00 C ATOM 1261 O ALA A 86 -3.637 -4.321 4.878 1.00 0.00 O ATOM 1262 CB ALA A 86 -6.687 -4.776 4.083 1.00 0.00 C ATOM 0 H ALA A 86 -5.578 -6.967 4.262 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.491 -4.942 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.973 -3.741 3.894 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.457 -5.443 3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.579 -4.932 5.156 1.00 0.00 H new ATOM 1268 N MET A 87 -4.117 -3.011 3.113 1.00 0.00 N ATOM 1269 CA MET A 87 -3.211 -1.942 3.514 1.00 0.00 C ATOM 1270 C MET A 87 -3.965 -0.640 3.751 1.00 0.00 C ATOM 1271 O MET A 87 -4.571 -0.087 2.833 1.00 0.00 O ATOM 1272 CB MET A 87 -2.126 -1.745 2.456 1.00 0.00 C ATOM 1273 CG MET A 87 -1.037 -0.757 2.847 1.00 0.00 C ATOM 1274 SD MET A 87 0.193 -0.528 1.548 1.00 0.00 S ATOM 1275 CE MET A 87 1.102 -2.066 1.667 1.00 0.00 C ATOM 0 H MET A 87 -4.592 -2.849 2.225 1.00 0.00 H new ATOM 0 HA MET A 87 -2.740 -2.232 4.454 1.00 0.00 H new ATOM 0 HB2 MET A 87 -1.665 -2.709 2.243 1.00 0.00 H new ATOM 0 HB3 MET A 87 -2.594 -1.404 1.533 1.00 0.00 H new ATOM 0 HG2 MET A 87 -1.492 0.204 3.084 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.542 -1.107 3.753 1.00 0.00 H new ATOM 0 HE1 MET A 87 1.992 -2.012 1.040 1.00 0.00 H new ATOM 0 HE2 MET A 87 1.397 -2.235 2.703 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.471 -2.889 1.331 1.00 0.00 H new ATOM 1285 N SER A 88 -3.924 -0.155 4.986 1.00 0.00 N ATOM 1286 CA SER A 88 -4.804 0.927 5.414 1.00 0.00 C ATOM 1287 C SER A 88 -4.007 2.088 5.995 1.00 0.00 C ATOM 1288 O SER A 88 -3.085 1.887 6.786 1.00 0.00 O ATOM 1289 CB SER A 88 -5.794 0.418 6.442 1.00 0.00 C ATOM 1290 OG SER A 88 -6.662 1.439 6.852 1.00 0.00 O ATOM 0 H SER A 88 -3.290 -0.494 5.710 1.00 0.00 H new ATOM 0 HA SER A 88 -5.344 1.287 4.539 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.370 -0.406 6.021 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.257 0.024 7.305 1.00 0.00 H new ATOM 0 HG SER A 88 -7.471 1.045 7.241 1.00 0.00 H new ATOM 1296 N MET A 89 -4.367 3.304 5.598 1.00 0.00 N ATOM 1297 CA MET A 89 -3.702 4.501 6.098 1.00 0.00 C ATOM 1298 C MET A 89 -4.159 4.836 7.511 1.00 0.00 C ATOM 1299 O MET A 89 -5.355 4.834 7.803 1.00 0.00 O ATOM 1300 CB MET A 89 -3.961 5.679 5.160 1.00 0.00 C ATOM 1301 CG MET A 89 -3.125 6.915 5.456 1.00 0.00 C ATOM 1302 SD MET A 89 -1.372 6.669 5.108 1.00 0.00 S ATOM 1303 CE MET A 89 -1.382 6.651 3.317 1.00 0.00 C ATOM 0 H MET A 89 -5.117 3.486 4.931 1.00 0.00 H new ATOM 0 HA MET A 89 -2.630 4.304 6.131 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.767 5.361 4.136 1.00 0.00 H new ATOM 0 HB3 MET A 89 -5.016 5.947 5.216 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.496 7.750 4.862 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.248 7.190 6.504 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.361 6.739 2.947 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.816 5.715 2.965 1.00 0.00 H new ATOM 0 HE3 MET A 89 -1.975 7.488 2.948 1.00 0.00 H new ATOM 1313 N ALA A 90 -3.202 5.123 8.386 1.00 0.00 N ATOM 1314 CA ALA A 90 -3.506 5.480 9.766 1.00 0.00 C ATOM 1315 C ALA A 90 -3.868 6.954 9.888 1.00 0.00 C ATOM 1316 O ALA A 90 -3.438 7.777 9.081 1.00 0.00 O ATOM 1317 CB ALA A 90 -2.328 5.147 10.672 1.00 0.00 C ATOM 0 H ALA A 90 -2.207 5.115 8.163 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.370 4.895 10.081 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.571 5.419 11.699 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.119 4.078 10.620 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.450 5.704 10.347 1.00 0.00 H new ATOM 1323 N HIS A 91 -4.662 7.282 10.903 1.00 0.00 N ATOM 1324 CA HIS A 91 -5.064 8.662 11.146 1.00 0.00 C ATOM 1325 C HIS A 91 -5.100 8.970 12.637 1.00 0.00 C ATOM 1326 O HIS A 91 -4.995 8.069 13.469 1.00 0.00 O ATOM 1327 CB HIS A 91 -6.436 8.943 10.527 1.00 0.00 C ATOM 1328 CG HIS A 91 -7.543 8.129 11.122 1.00 0.00 C ATOM 1329 ND1 HIS A 91 -7.958 8.279 12.429 1.00 0.00 N ATOM 1330 CD2 HIS A 91 -8.320 7.156 10.590 1.00 0.00 C ATOM 1331 CE1 HIS A 91 -8.944 7.434 12.674 1.00 0.00 C ATOM 1332 NE2 HIS A 91 -9.181 6.741 11.576 1.00 0.00 N ATOM 0 H HIS A 91 -5.040 6.610 11.571 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.322 9.308 10.676 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -6.669 10.001 10.648 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -6.388 8.747 9.456 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.272 6.777 9.580 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.467 7.328 13.613 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.890 6.014 11.476 1.00 0.00 H new ATOM 1339 N ARG A 92 -5.249 10.249 12.968 1.00 0.00 N ATOM 1340 CA ARG A 92 -5.383 10.669 14.358 1.00 0.00 C ATOM 1341 C ARG A 92 -6.774 11.223 14.635 1.00 0.00 C ATOM 1342 O ARG A 92 -6.947 12.093 15.488 1.00 0.00 O ATOM 1343 CB ARG A 92 -4.341 11.725 14.700 1.00 0.00 C ATOM 1344 CG ARG A 92 -2.899 11.279 14.525 1.00 0.00 C ATOM 1345 CD ARG A 92 -2.543 10.186 15.465 1.00 0.00 C ATOM 1346 NE ARG A 92 -2.770 10.565 16.850 1.00 0.00 N ATOM 1347 CZ ARG A 92 -2.632 9.736 17.904 1.00 0.00 C ATOM 1348 NH1 ARG A 92 -2.268 8.487 17.713 1.00 0.00 N ATOM 1349 NH2 ARG A 92 -2.864 10.179 19.127 1.00 0.00 N ATOM 0 H ARG A 92 -5.280 11.012 12.292 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.226 9.790 14.983 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.514 12.601 14.075 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.487 12.037 15.734 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.744 10.942 13.500 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.234 12.128 14.685 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.132 9.299 15.230 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.495 9.918 15.329 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.054 11.527 17.038 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.090 8.146 16.768 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.163 7.859 18.510 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.147 11.148 19.273 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.760 9.552 19.925 1.00 0.00 H new ATOM 1363 N GLY A 93 -7.764 10.715 13.908 1.00 0.00 N ATOM 1364 CA GLY A 93 -9.128 11.217 14.014 1.00 0.00 C ATOM 1365 C GLY A 93 -9.774 11.350 12.642 1.00 0.00 C ATOM 1366 O GLY A 93 -9.167 11.018 11.624 1.00 0.00 O ATOM 0 H GLY A 93 -7.646 9.955 13.238 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.719 10.543 14.633 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.124 12.186 14.512 1.00 0.00 H new ATOM 1370 N ARG A 94 -11.010 11.836 12.619 1.00 0.00 N ATOM 1371 CA ARG A 94 -11.744 12.008 11.371 1.00 0.00 C ATOM 1372 C ARG A 94 -11.077 13.046 10.478 1.00 0.00 C ATOM 1373 O ARG A 94 -10.724 14.134 10.931 1.00 0.00 O ATOM 1374 CB ARG A 94 -13.180 12.429 11.647 1.00 0.00 C ATOM 1375 CG ARG A 94 -14.071 12.511 10.418 1.00 0.00 C ATOM 1376 CD ARG A 94 -15.462 12.889 10.772 1.00 0.00 C ATOM 1377 NE ARG A 94 -16.331 12.911 9.606 1.00 0.00 N ATOM 1378 CZ ARG A 94 -17.634 13.257 9.630 1.00 0.00 C ATOM 1379 NH1 ARG A 94 -18.201 13.607 10.763 1.00 0.00 N ATOM 1380 NH2 ARG A 94 -18.341 13.244 8.513 1.00 0.00 N ATOM 0 H ARG A 94 -11.526 12.118 13.453 1.00 0.00 H new ATOM 0 HA ARG A 94 -11.741 11.048 10.855 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -13.621 11.723 12.351 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.170 13.403 12.136 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.662 13.242 9.720 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.075 11.549 9.906 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.855 12.184 11.504 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -15.462 13.872 11.244 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.927 12.646 8.708 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.655 13.617 11.625 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.187 13.869 10.781 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -17.901 12.972 7.634 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -19.327 13.506 8.530 1.00 0.00 H new ATOM 1394 N ASP A 95 -10.906 12.702 9.206 1.00 0.00 N ATOM 1395 CA ASP A 95 -10.262 13.596 8.251 1.00 0.00 C ATOM 1396 C ASP A 95 -8.913 14.077 8.769 1.00 0.00 C ATOM 1397 O ASP A 95 -8.529 15.228 8.555 1.00 0.00 O ATOM 1398 CB ASP A 95 -11.160 14.799 7.952 1.00 0.00 C ATOM 1399 CG ASP A 95 -12.359 14.442 7.085 1.00 0.00 C ATOM 1400 OD1 ASP A 95 -12.355 13.381 6.507 1.00 0.00 O ATOM 1401 OD2 ASP A 95 -13.267 15.235 7.006 1.00 0.00 O ATOM 0 H ASP A 95 -11.205 11.810 8.812 1.00 0.00 H new ATOM 0 HA ASP A 95 -10.098 13.034 7.331 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -11.511 15.226 8.891 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -10.573 15.569 7.452 1.00 0.00 H new ATOM 1406 N THR A 96 -8.197 13.191 9.454 1.00 0.00 N ATOM 1407 CA THR A 96 -6.874 13.513 9.973 1.00 0.00 C ATOM 1408 C THR A 96 -5.875 12.406 9.661 1.00 0.00 C ATOM 1409 O THR A 96 -5.142 11.952 10.539 1.00 0.00 O ATOM 1410 CB THR A 96 -6.917 13.756 11.493 1.00 0.00 C ATOM 1411 OG1 THR A 96 -7.904 14.752 11.791 1.00 0.00 O ATOM 1412 CG2 THR A 96 -5.561 14.222 11.998 1.00 0.00 C ATOM 0 H THR A 96 -8.512 12.243 9.662 1.00 0.00 H new ATOM 0 HA THR A 96 -6.549 14.429 9.479 1.00 0.00 H new ATOM 0 HB THR A 96 -7.174 12.820 11.989 1.00 0.00 H new ATOM 0 HG1 THR A 96 -8.793 14.412 11.556 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.611 14.389 13.074 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.811 13.460 11.783 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.287 15.152 11.499 1.00 0.00 H new ATOM 1420 N GLY A 97 -5.852 11.975 8.404 1.00 0.00 N ATOM 1421 CA GLY A 97 -4.980 10.884 7.984 1.00 0.00 C ATOM 1422 C GLY A 97 -3.546 11.364 7.799 1.00 0.00 C ATOM 1423 O GLY A 97 -3.310 12.478 7.331 1.00 0.00 O ATOM 0 H GLY A 97 -6.428 12.365 7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.006 10.087 8.727 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.348 10.460 7.049 1.00 0.00 H new ATOM 1427 N SER A 98 -2.591 10.518 8.170 1.00 0.00 N ATOM 1428 CA SER A 98 -1.179 10.876 8.097 1.00 0.00 C ATOM 1429 C SER A 98 -0.473 10.104 6.989 1.00 0.00 C ATOM 1430 O SER A 98 -1.115 9.450 6.168 1.00 0.00 O ATOM 1431 CB SER A 98 -0.503 10.605 9.426 1.00 0.00 C ATOM 1432 OG SER A 98 -0.364 9.228 9.647 1.00 0.00 O ATOM 0 H SER A 98 -2.769 9.578 8.525 1.00 0.00 H new ATOM 0 HA SER A 98 -1.112 11.940 7.869 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.478 11.080 9.443 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.087 11.049 10.232 1.00 0.00 H new ATOM 0 HG SER A 98 0.076 9.078 10.510 1.00 0.00 H new ATOM 1438 N CYS A 99 0.854 10.186 6.973 1.00 0.00 N ATOM 1439 CA CYS A 99 1.657 9.410 6.036 1.00 0.00 C ATOM 1440 C CYS A 99 1.797 7.964 6.497 1.00 0.00 C ATOM 1441 O CYS A 99 2.194 7.092 5.723 1.00 0.00 O ATOM 1442 CB CYS A 99 3.047 10.026 5.879 1.00 0.00 C ATOM 1443 SG CYS A 99 3.037 11.709 5.214 1.00 0.00 S ATOM 0 H CYS A 99 1.395 10.782 7.599 1.00 0.00 H new ATOM 0 HA CYS A 99 1.143 9.425 5.075 1.00 0.00 H new ATOM 0 HB2 CYS A 99 3.541 10.033 6.850 1.00 0.00 H new ATOM 0 HB3 CYS A 99 3.642 9.391 5.223 1.00 0.00 H new ATOM 0 HG CYS A 99 4.018 11.849 4.373 1.00 0.00 H new ATOM 1449 N GLN A 100 1.471 7.717 7.760 1.00 0.00 N ATOM 1450 CA GLN A 100 1.644 6.396 8.352 1.00 0.00 C ATOM 1451 C GLN A 100 0.564 5.433 7.878 1.00 0.00 C ATOM 1452 O GLN A 100 -0.590 5.821 7.692 1.00 0.00 O ATOM 1453 CB GLN A 100 1.630 6.487 9.880 1.00 0.00 C ATOM 1454 CG GLN A 100 2.752 7.328 10.465 1.00 0.00 C ATOM 1455 CD GLN A 100 2.811 7.242 11.978 1.00 0.00 C ATOM 1456 OE1 GLN A 100 2.033 7.892 12.682 1.00 0.00 O ATOM 1457 NE2 GLN A 100 3.737 6.438 12.488 1.00 0.00 N ATOM 0 H GLN A 100 1.085 8.416 8.395 1.00 0.00 H new ATOM 0 HA GLN A 100 2.611 6.011 8.028 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.675 6.904 10.199 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.693 5.480 10.293 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.704 7.000 10.048 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.616 8.368 10.168 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.359 5.919 11.868 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.826 6.339 13.499 1.00 0.00 H new ATOM 1466 N PHE A 101 0.944 4.174 7.684 1.00 0.00 N ATOM 1467 CA PHE A 101 -0.009 3.135 7.312 1.00 0.00 C ATOM 1468 C PHE A 101 0.327 1.812 7.988 1.00 0.00 C ATOM 1469 O PHE A 101 1.391 1.663 8.589 1.00 0.00 O ATOM 1470 CB PHE A 101 -0.029 2.947 5.794 1.00 0.00 C ATOM 1471 CG PHE A 101 1.242 2.369 5.238 1.00 0.00 C ATOM 1472 CD1 PHE A 101 2.308 3.192 4.909 1.00 0.00 C ATOM 1473 CD2 PHE A 101 1.373 1.002 5.044 1.00 0.00 C ATOM 1474 CE1 PHE A 101 3.478 2.663 4.397 1.00 0.00 C ATOM 1475 CE2 PHE A 101 2.541 0.470 4.533 1.00 0.00 C ATOM 1476 CZ PHE A 101 3.594 1.299 4.209 1.00 0.00 C ATOM 0 H PHE A 101 1.906 3.849 7.778 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.995 3.454 7.648 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.861 2.294 5.529 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.217 3.911 5.320 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.223 4.259 5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.553 0.346 5.295 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.301 3.315 4.144 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.629 -0.596 4.387 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.507 0.883 3.809 1.00 0.00 H new ATOM 1486 N PHE A 102 -0.587 0.853 7.888 1.00 0.00 N ATOM 1487 CA PHE A 102 -0.398 -0.453 8.506 1.00 0.00 C ATOM 1488 C PHE A 102 -0.994 -1.561 7.646 1.00 0.00 C ATOM 1489 O PHE A 102 -1.981 -1.350 6.941 1.00 0.00 O ATOM 1490 CB PHE A 102 -1.034 -0.484 9.897 1.00 0.00 C ATOM 1491 CG PHE A 102 -2.493 -0.128 9.906 1.00 0.00 C ATOM 1492 CD1 PHE A 102 -2.900 1.190 10.039 1.00 0.00 C ATOM 1493 CD2 PHE A 102 -3.462 -1.112 9.778 1.00 0.00 C ATOM 1494 CE1 PHE A 102 -4.241 1.518 10.048 1.00 0.00 C ATOM 1495 CE2 PHE A 102 -4.805 -0.786 9.784 1.00 0.00 C ATOM 1496 CZ PHE A 102 -5.195 0.529 9.919 1.00 0.00 C ATOM 0 H PHE A 102 -1.468 0.957 7.384 1.00 0.00 H new ATOM 0 HA PHE A 102 0.675 -0.624 8.597 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.910 -1.481 10.320 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.497 0.207 10.547 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.159 1.970 10.137 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -3.164 -2.145 9.672 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -4.544 2.549 10.156 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.549 -1.562 9.683 1.00 0.00 H new ATOM 0 HZ PHE A 102 -6.244 0.785 9.924 1.00 0.00 H new ATOM 1506 N ILE A 103 -0.388 -2.742 7.708 1.00 0.00 N ATOM 1507 CA ILE A 103 -0.850 -3.882 6.926 1.00 0.00 C ATOM 1508 C ILE A 103 -1.584 -4.889 7.802 1.00 0.00 C ATOM 1509 O ILE A 103 -1.023 -5.415 8.764 1.00 0.00 O ATOM 1510 CB ILE A 103 0.328 -4.578 6.220 1.00 0.00 C ATOM 1511 CG1 ILE A 103 1.036 -3.603 5.277 1.00 0.00 C ATOM 1512 CG2 ILE A 103 -0.158 -5.803 5.458 1.00 0.00 C ATOM 1513 CD1 ILE A 103 2.354 -4.117 4.745 1.00 0.00 C ATOM 0 H ILE A 103 0.425 -2.934 8.293 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.541 -3.501 6.174 1.00 0.00 H new ATOM 0 HB ILE A 103 1.042 -4.905 6.976 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.377 -3.382 4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 103 1.209 -2.664 5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.687 -6.283 4.965 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.619 -6.505 6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.890 -5.499 4.710 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.796 -3.371 4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.031 -4.311 5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.187 -5.040 4.190 1.00 0.00 H new ATOM 1525 N VAL A 104 -2.842 -5.154 7.464 1.00 0.00 N ATOM 1526 CA VAL A 104 -3.681 -6.035 8.267 1.00 0.00 C ATOM 1527 C VAL A 104 -3.403 -7.499 7.951 1.00 0.00 C ATOM 1528 O VAL A 104 -3.337 -7.891 6.786 1.00 0.00 O ATOM 1529 CB VAL A 104 -5.170 -5.732 8.013 1.00 0.00 C ATOM 1530 CG1 VAL A 104 -6.050 -6.701 8.788 1.00 0.00 C ATOM 1531 CG2 VAL A 104 -5.480 -4.295 8.400 1.00 0.00 C ATOM 0 H VAL A 104 -3.303 -4.771 6.639 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.444 -5.853 9.315 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.380 -5.860 6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.099 -6.473 8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -5.837 -7.721 8.469 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.846 -6.605 9.854 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.535 -4.088 8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.259 -4.147 9.457 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.869 -3.618 7.803 1.00 0.00 H new ATOM 1541 N HIS A 105 -3.239 -8.304 8.996 1.00 0.00 N ATOM 1542 CA HIS A 105 -3.087 -9.745 8.835 1.00 0.00 C ATOM 1543 C HIS A 105 -4.308 -10.490 9.360 1.00 0.00 C ATOM 1544 O HIS A 105 -4.675 -11.544 8.840 1.00 0.00 O ATOM 1545 CB HIS A 105 -1.830 -10.240 9.559 1.00 0.00 C ATOM 1546 CG HIS A 105 -0.567 -9.599 9.077 1.00 0.00 C ATOM 1547 ND1 HIS A 105 -0.072 -9.795 7.805 1.00 0.00 N ATOM 1548 CD2 HIS A 105 0.303 -8.765 9.694 1.00 0.00 C ATOM 1549 CE1 HIS A 105 1.049 -9.109 7.660 1.00 0.00 C ATOM 1550 NE2 HIS A 105 1.298 -8.476 8.793 1.00 0.00 N ATOM 0 H HIS A 105 -3.208 -7.982 9.963 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.989 -9.948 7.769 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -1.938 -10.051 10.627 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -1.750 -11.320 9.433 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -0.503 -10.378 7.088 1.00 0.00 H new ATOM 0 HD2 HIS A 105 0.228 -8.396 10.706 1.00 0.00 H new ATOM 0 HE1 HIS A 105 1.657 -9.072 6.768 1.00 0.00 H new ATOM 1557 N GLU A 106 -4.934 -9.937 10.393 1.00 0.00 N ATOM 1558 CA GLU A 106 -6.191 -10.471 10.903 1.00 0.00 C ATOM 1559 C GLU A 106 -7.328 -9.474 10.719 1.00 0.00 C ATOM 1560 O GLU A 106 -7.220 -8.315 11.117 1.00 0.00 O ATOM 1561 CB GLU A 106 -6.054 -10.836 12.383 1.00 0.00 C ATOM 1562 CG GLU A 106 -7.286 -11.495 12.985 1.00 0.00 C ATOM 1563 CD GLU A 106 -7.093 -11.898 14.421 1.00 0.00 C ATOM 1564 OE1 GLU A 106 -6.845 -11.037 15.230 1.00 0.00 O ATOM 1565 OE2 GLU A 106 -7.194 -13.067 14.708 1.00 0.00 O ATOM 0 H GLU A 106 -4.591 -9.118 10.894 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.427 -11.370 10.333 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.203 -11.507 12.502 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.828 -9.932 12.948 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.129 -10.808 12.916 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.544 -12.376 12.397 1.00 0.00 H new ATOM 1572 N PRO A 107 -8.418 -9.934 10.114 1.00 0.00 N ATOM 1573 CA PRO A 107 -9.555 -9.068 9.824 1.00 0.00 C ATOM 1574 C PRO A 107 -10.034 -8.347 11.076 1.00 0.00 C ATOM 1575 O PRO A 107 -10.071 -8.926 12.162 1.00 0.00 O ATOM 1576 CB PRO A 107 -10.609 -10.048 9.299 1.00 0.00 C ATOM 1577 CG PRO A 107 -9.813 -11.129 8.649 1.00 0.00 C ATOM 1578 CD PRO A 107 -8.612 -11.297 9.541 1.00 0.00 C ATOM 0 HA PRO A 107 -9.322 -8.274 9.115 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.226 -10.439 10.108 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.281 -9.567 8.589 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.385 -12.054 8.574 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -9.520 -10.853 7.636 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.789 -12.039 10.319 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.737 -11.626 8.980 1.00 0.00 H new ATOM 1586 N GLN A 108 -10.400 -7.079 10.920 1.00 0.00 N ATOM 1587 CA GLN A 108 -10.851 -6.268 12.044 1.00 0.00 C ATOM 1588 C GLN A 108 -12.175 -5.582 11.733 1.00 0.00 C ATOM 1589 O GLN A 108 -12.200 -4.465 11.220 1.00 0.00 O ATOM 1590 CB GLN A 108 -9.793 -5.222 12.407 1.00 0.00 C ATOM 1591 CG GLN A 108 -8.426 -5.802 12.725 1.00 0.00 C ATOM 1592 CD GLN A 108 -8.445 -6.684 13.960 1.00 0.00 C ATOM 1593 OE1 GLN A 108 -8.994 -6.309 14.999 1.00 0.00 O ATOM 1594 NE2 GLN A 108 -7.844 -7.863 13.852 1.00 0.00 N ATOM 0 H GLN A 108 -10.393 -6.591 10.025 1.00 0.00 H new ATOM 0 HA GLN A 108 -11.002 -6.933 12.895 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -9.694 -4.520 11.579 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -10.142 -4.652 13.268 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -8.073 -6.383 11.873 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.715 -4.989 12.873 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -7.403 -8.132 12.973 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -7.824 -8.500 14.648 1.00 0.00 H new ATOM 1603 N PRO A 109 -13.275 -6.259 12.048 1.00 0.00 N ATOM 1604 CA PRO A 109 -14.604 -5.741 11.755 1.00 0.00 C ATOM 1605 C PRO A 109 -14.817 -4.375 12.395 1.00 0.00 C ATOM 1606 O PRO A 109 -15.543 -3.535 11.863 1.00 0.00 O ATOM 1607 CB PRO A 109 -15.529 -6.800 12.362 1.00 0.00 C ATOM 1608 CG PRO A 109 -14.737 -8.060 12.294 1.00 0.00 C ATOM 1609 CD PRO A 109 -13.326 -7.631 12.598 1.00 0.00 C ATOM 0 HA PRO A 109 -14.781 -5.584 10.691 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -15.797 -6.553 13.389 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -16.460 -6.884 11.801 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -15.094 -8.793 13.017 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -14.809 -8.522 11.309 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -13.121 -7.646 13.668 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -12.594 -8.284 12.124 1.00 0.00 H new ATOM 1617 N HIS A 110 -14.179 -4.160 13.541 1.00 0.00 N ATOM 1618 CA HIS A 110 -14.410 -2.956 14.332 1.00 0.00 C ATOM 1619 C HIS A 110 -13.687 -1.756 13.734 1.00 0.00 C ATOM 1620 O HIS A 110 -13.904 -0.619 14.149 1.00 0.00 O ATOM 1621 CB HIS A 110 -13.955 -3.165 15.780 1.00 0.00 C ATOM 1622 CG HIS A 110 -12.488 -3.428 15.917 1.00 0.00 C ATOM 1623 ND1 HIS A 110 -11.572 -2.427 16.164 1.00 0.00 N ATOM 1624 CD2 HIS A 110 -11.778 -4.578 15.841 1.00 0.00 C ATOM 1625 CE1 HIS A 110 -10.360 -2.951 16.235 1.00 0.00 C ATOM 1626 NE2 HIS A 110 -10.459 -4.253 16.043 1.00 0.00 N ATOM 0 H HIS A 110 -13.498 -4.804 13.943 1.00 0.00 H new ATOM 0 HA HIS A 110 -15.481 -2.756 14.320 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -14.213 -2.281 16.364 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -14.507 -4.002 16.208 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -12.174 -5.566 15.656 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -9.445 -2.407 16.419 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -9.681 -4.912 16.044 1.00 0.00 H new ATOM 1633 N LEU A 111 -12.827 -2.018 12.756 1.00 0.00 N ATOM 1634 CA LEU A 111 -12.137 -0.954 12.037 1.00 0.00 C ATOM 1635 C LEU A 111 -12.851 -0.615 10.735 1.00 0.00 C ATOM 1636 O LEU A 111 -12.388 0.226 9.963 1.00 0.00 O ATOM 1637 CB LEU A 111 -10.689 -1.367 11.741 1.00 0.00 C ATOM 1638 CG LEU A 111 -9.795 -1.582 12.968 1.00 0.00 C ATOM 1639 CD1 LEU A 111 -8.387 -1.945 12.514 1.00 0.00 C ATOM 1640 CD2 LEU A 111 -9.787 -0.320 13.818 1.00 0.00 C ATOM 0 H LEU A 111 -12.591 -2.960 12.443 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.139 -0.067 12.670 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.705 -2.289 11.160 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.234 -0.602 11.112 1.00 0.00 H new ATOM 0 HG LEU A 111 -10.183 -2.402 13.573 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.752 -2.098 13.386 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.420 -2.861 11.924 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.981 -1.136 11.906 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.151 -0.473 14.690 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.401 0.513 13.230 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.802 -0.094 14.144 1.00 0.00 H new ATOM 1652 N ASP A 112 -13.980 -1.273 10.496 1.00 0.00 N ATOM 1653 CA ASP A 112 -14.766 -1.033 9.292 1.00 0.00 C ATOM 1654 C ASP A 112 -15.231 0.416 9.217 1.00 0.00 C ATOM 1655 O ASP A 112 -16.104 0.838 9.974 1.00 0.00 O ATOM 1656 CB ASP A 112 -15.979 -1.966 9.249 1.00 0.00 C ATOM 1657 CG ASP A 112 -16.787 -1.829 7.966 1.00 0.00 C ATOM 1658 OD1 ASP A 112 -16.490 -0.951 7.192 1.00 0.00 O ATOM 1659 OD2 ASP A 112 -17.692 -2.605 7.772 1.00 0.00 O ATOM 0 H ASP A 112 -14.372 -1.978 11.121 1.00 0.00 H new ATOM 0 HA ASP A 112 -14.126 -1.236 8.434 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -15.641 -2.997 9.351 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -16.623 -1.755 10.102 1.00 0.00 H new ATOM 1664 N GLY A 113 -14.641 1.174 8.300 1.00 0.00 N ATOM 1665 CA GLY A 113 -15.029 2.563 8.087 1.00 0.00 C ATOM 1666 C GLY A 113 -14.255 3.498 9.008 1.00 0.00 C ATOM 1667 O GLY A 113 -14.480 4.709 9.011 1.00 0.00 O ATOM 0 H GLY A 113 -13.890 0.849 7.691 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -14.848 2.839 7.048 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -16.098 2.676 8.265 1.00 0.00 H new ATOM 1671 N VAL A 114 -13.342 2.931 9.789 1.00 0.00 N ATOM 1672 CA VAL A 114 -12.541 3.711 10.723 1.00 0.00 C ATOM 1673 C VAL A 114 -11.285 4.253 10.052 1.00 0.00 C ATOM 1674 O VAL A 114 -11.033 5.458 10.068 1.00 0.00 O ATOM 1675 CB VAL A 114 -12.140 2.848 11.935 1.00 0.00 C ATOM 1676 CG1 VAL A 114 -11.219 3.627 12.862 1.00 0.00 C ATOM 1677 CG2 VAL A 114 -13.386 2.385 12.675 1.00 0.00 C ATOM 0 H VAL A 114 -13.139 1.932 9.793 1.00 0.00 H new ATOM 0 HA VAL A 114 -13.149 4.552 11.058 1.00 0.00 H new ATOM 0 HB VAL A 114 -11.598 1.971 11.582 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -10.946 3.002 13.712 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -10.319 3.917 12.321 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -11.732 4.520 13.218 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -13.096 1.775 13.531 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -13.947 3.253 13.022 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -14.009 1.794 12.004 1.00 0.00 H new ATOM 1687 N HIS A 115 -10.500 3.356 9.464 1.00 0.00 N ATOM 1688 CA HIS A 115 -9.327 3.753 8.694 1.00 0.00 C ATOM 1689 C HIS A 115 -9.547 3.534 7.203 1.00 0.00 C ATOM 1690 O HIS A 115 -10.299 2.646 6.801 1.00 0.00 O ATOM 1691 CB HIS A 115 -8.090 2.975 9.155 1.00 0.00 C ATOM 1692 CG HIS A 115 -7.664 3.295 10.554 1.00 0.00 C ATOM 1693 ND1 HIS A 115 -6.835 4.354 10.855 1.00 0.00 N ATOM 1694 CD2 HIS A 115 -7.952 2.695 11.732 1.00 0.00 C ATOM 1695 CE1 HIS A 115 -6.631 4.393 12.160 1.00 0.00 C ATOM 1696 NE2 HIS A 115 -7.297 3.397 12.716 1.00 0.00 N ATOM 0 H HIS A 115 -10.655 2.349 9.506 1.00 0.00 H new ATOM 0 HA HIS A 115 -9.164 4.817 8.867 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -8.296 1.907 9.083 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -7.264 3.187 8.476 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -8.579 1.827 11.873 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -6.023 5.116 12.683 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.321 3.183 13.713 1.00 0.00 H new ATOM 1703 N THR A 116 -8.885 4.347 6.387 1.00 0.00 N ATOM 1704 CA THR A 116 -9.050 4.281 4.940 1.00 0.00 C ATOM 1705 C THR A 116 -8.103 3.261 4.323 1.00 0.00 C ATOM 1706 O THR A 116 -6.892 3.478 4.268 1.00 0.00 O ATOM 1707 CB THR A 116 -8.820 5.659 4.292 1.00 0.00 C ATOM 1708 OG1 THR A 116 -9.801 6.586 4.773 1.00 0.00 O ATOM 1709 CG2 THR A 116 -8.919 5.561 2.778 1.00 0.00 C ATOM 0 H THR A 116 -8.228 5.060 6.704 1.00 0.00 H new ATOM 0 HA THR A 116 -10.076 3.968 4.747 1.00 0.00 H new ATOM 0 HB THR A 116 -7.821 6.006 4.558 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.379 7.456 4.931 1.00 0.00 H new ATOM 0 HG21 THR A 116 -8.754 6.545 2.338 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.165 4.867 2.408 1.00 0.00 H new ATOM 0 HG23 THR A 116 -9.910 5.201 2.501 1.00 0.00 H new ATOM 1717 N VAL A 117 -8.660 2.147 3.860 1.00 0.00 N ATOM 1718 CA VAL A 117 -7.905 1.185 3.067 1.00 0.00 C ATOM 1719 C VAL A 117 -7.665 1.703 1.654 1.00 0.00 C ATOM 1720 O VAL A 117 -8.602 2.095 0.959 1.00 0.00 O ATOM 1721 CB VAL A 117 -8.658 -0.157 2.997 1.00 0.00 C ATOM 1722 CG1 VAL A 117 -7.908 -1.142 2.112 1.00 0.00 C ATOM 1723 CG2 VAL A 117 -8.840 -0.722 4.398 1.00 0.00 C ATOM 0 H VAL A 117 -9.633 1.888 4.021 1.00 0.00 H new ATOM 0 HA VAL A 117 -6.941 1.039 3.554 1.00 0.00 H new ATOM 0 HB VAL A 117 -9.641 0.011 2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -8.454 -2.085 2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.819 -0.733 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.913 -1.315 2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -9.373 -1.671 4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.864 -0.881 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -9.414 -0.019 5.002 1.00 0.00 H new ATOM 1733 N PHE A 118 -6.404 1.702 1.236 1.00 0.00 N ATOM 1734 CA PHE A 118 -6.012 2.343 -0.014 1.00 0.00 C ATOM 1735 C PHE A 118 -5.243 1.379 -0.908 1.00 0.00 C ATOM 1736 O PHE A 118 -5.061 1.633 -2.099 1.00 0.00 O ATOM 1737 CB PHE A 118 -5.155 3.579 0.265 1.00 0.00 C ATOM 1738 CG PHE A 118 -3.816 3.266 0.867 1.00 0.00 C ATOM 1739 CD1 PHE A 118 -3.658 3.181 2.242 1.00 0.00 C ATOM 1740 CD2 PHE A 118 -2.708 3.054 0.057 1.00 0.00 C ATOM 1741 CE1 PHE A 118 -2.426 2.893 2.796 1.00 0.00 C ATOM 1742 CE2 PHE A 118 -1.475 2.765 0.610 1.00 0.00 C ATOM 1743 CZ PHE A 118 -1.333 2.685 1.979 1.00 0.00 C ATOM 0 H PHE A 118 -5.636 1.264 1.744 1.00 0.00 H new ATOM 0 HA PHE A 118 -6.923 2.645 -0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -5.005 4.123 -0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.699 4.242 0.938 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.509 3.342 2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -2.811 3.116 -1.016 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -2.318 2.831 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -0.621 2.602 -0.031 1.00 0.00 H new ATOM 0 HZ PHE A 118 -0.369 2.460 2.411 1.00 0.00 H new ATOM 1753 N GLY A 119 -4.794 0.271 -0.329 1.00 0.00 N ATOM 1754 CA GLY A 119 -4.063 -0.744 -1.078 1.00 0.00 C ATOM 1755 C GLY A 119 -4.238 -2.122 -0.454 1.00 0.00 C ATOM 1756 O GLY A 119 -4.980 -2.286 0.515 1.00 0.00 O ATOM 0 H GLY A 119 -4.924 0.053 0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.414 -0.762 -2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -3.004 -0.487 -1.106 1.00 0.00 H new ATOM 1760 N GLN A 120 -3.552 -3.112 -1.016 1.00 0.00 N ATOM 1761 CA GLN A 120 -3.599 -4.471 -0.490 1.00 0.00 C ATOM 1762 C GLN A 120 -2.401 -5.286 -0.961 1.00 0.00 C ATOM 1763 O GLN A 120 -2.093 -5.322 -2.152 1.00 0.00 O ATOM 1764 CB GLN A 120 -4.899 -5.164 -0.909 1.00 0.00 C ATOM 1765 CG GLN A 120 -5.033 -6.591 -0.407 1.00 0.00 C ATOM 1766 CD GLN A 120 -6.323 -7.246 -0.863 1.00 0.00 C ATOM 1767 OE1 GLN A 120 -7.118 -6.644 -1.591 1.00 0.00 O ATOM 1768 NE2 GLN A 120 -6.539 -8.486 -0.437 1.00 0.00 N ATOM 0 H GLN A 120 -2.957 -2.998 -1.836 1.00 0.00 H new ATOM 0 HA GLN A 120 -3.564 -4.407 0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -5.743 -4.581 -0.542 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -4.962 -5.166 -1.997 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -4.186 -7.179 -0.760 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -4.992 -6.595 0.682 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -5.854 -8.945 0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -7.389 -8.978 -0.711 1.00 0.00 H new ATOM 1777 N VAL A 121 -1.727 -5.938 -0.019 1.00 0.00 N ATOM 1778 CA VAL A 121 -0.565 -6.757 -0.337 1.00 0.00 C ATOM 1779 C VAL A 121 -0.973 -8.034 -1.062 1.00 0.00 C ATOM 1780 O VAL A 121 -1.858 -8.759 -0.610 1.00 0.00 O ATOM 1781 CB VAL A 121 0.200 -7.122 0.949 1.00 0.00 C ATOM 1782 CG1 VAL A 121 1.360 -8.054 0.632 1.00 0.00 C ATOM 1783 CG2 VAL A 121 0.694 -5.858 1.634 1.00 0.00 C ATOM 0 H VAL A 121 -1.967 -5.914 0.972 1.00 0.00 H new ATOM 0 HA VAL A 121 0.081 -6.174 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 121 -0.476 -7.643 1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.890 -8.302 1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.979 -8.967 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.044 -7.561 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 121 1.234 -6.124 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.359 -5.316 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -0.157 -5.226 1.889 1.00 0.00 H new ATOM 1793 N THR A 122 -0.321 -8.303 -2.188 1.00 0.00 N ATOM 1794 CA THR A 122 -0.685 -9.433 -3.033 1.00 0.00 C ATOM 1795 C THR A 122 0.420 -10.481 -3.059 1.00 0.00 C ATOM 1796 O THR A 122 0.179 -11.644 -3.384 1.00 0.00 O ATOM 1797 CB THR A 122 -0.997 -8.975 -4.470 1.00 0.00 C ATOM 1798 OG1 THR A 122 0.161 -8.350 -5.036 1.00 0.00 O ATOM 1799 CG2 THR A 122 -2.154 -7.988 -4.475 1.00 0.00 C ATOM 0 H THR A 122 0.464 -7.752 -2.537 1.00 0.00 H new ATOM 0 HA THR A 122 -1.582 -9.880 -2.603 1.00 0.00 H new ATOM 0 HB THR A 122 -1.274 -9.847 -5.062 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.038 -8.060 -5.951 1.00 0.00 H new ATOM 0 HG21 THR A 122 -2.361 -7.675 -5.498 1.00 0.00 H new ATOM 0 HG22 THR A 122 -3.040 -8.464 -4.055 1.00 0.00 H new ATOM 0 HG23 THR A 122 -1.892 -7.117 -3.875 1.00 0.00 H new ATOM 1807 N SER A 123 1.633 -10.063 -2.715 1.00 0.00 N ATOM 1808 CA SER A 123 2.762 -10.980 -2.618 1.00 0.00 C ATOM 1809 C SER A 123 3.748 -10.530 -1.548 1.00 0.00 C ATOM 1810 O SER A 123 4.077 -9.348 -1.452 1.00 0.00 O ATOM 1811 CB SER A 123 3.466 -11.084 -3.957 1.00 0.00 C ATOM 1812 OG SER A 123 4.562 -11.953 -3.881 1.00 0.00 O ATOM 0 H SER A 123 1.860 -9.092 -2.498 1.00 0.00 H new ATOM 0 HA SER A 123 2.376 -11.959 -2.335 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.766 -11.440 -4.713 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.802 -10.096 -4.273 1.00 0.00 H new ATOM 0 HG SER A 123 4.999 -12.005 -4.757 1.00 0.00 H new ATOM 1818 N GLY A 124 4.216 -11.478 -0.746 1.00 0.00 N ATOM 1819 CA GLY A 124 5.202 -11.189 0.289 1.00 0.00 C ATOM 1820 C GLY A 124 4.527 -10.826 1.606 1.00 0.00 C ATOM 1821 O GLY A 124 5.172 -10.322 2.526 1.00 0.00 O ATOM 0 H GLY A 124 3.928 -12.456 -0.792 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.846 -12.056 0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 124 5.842 -10.368 -0.033 1.00 0.00 H new ATOM 1825 N MET A 125 3.227 -11.085 1.690 1.00 0.00 N ATOM 1826 CA MET A 125 2.486 -10.893 2.931 1.00 0.00 C ATOM 1827 C MET A 125 3.111 -11.687 4.072 1.00 0.00 C ATOM 1828 O MET A 125 3.157 -11.221 5.211 1.00 0.00 O ATOM 1829 CB MET A 125 1.025 -11.295 2.741 1.00 0.00 C ATOM 1830 CG MET A 125 0.128 -10.987 3.931 1.00 0.00 C ATOM 1831 SD MET A 125 -1.593 -11.446 3.641 1.00 0.00 S ATOM 1832 CE MET A 125 -1.503 -13.225 3.820 1.00 0.00 C ATOM 0 H MET A 125 2.664 -11.429 0.912 1.00 0.00 H new ATOM 0 HA MET A 125 2.530 -9.836 3.193 1.00 0.00 H new ATOM 0 HB2 MET A 125 0.631 -10.783 1.863 1.00 0.00 H new ATOM 0 HB3 MET A 125 0.979 -12.364 2.534 1.00 0.00 H new ATOM 0 HG2 MET A 125 0.499 -11.518 4.808 1.00 0.00 H new ATOM 0 HG3 MET A 125 0.183 -9.922 4.157 1.00 0.00 H new ATOM 0 HE1 MET A 125 -2.509 -13.645 3.792 1.00 0.00 H new ATOM 0 HE2 MET A 125 -0.913 -13.643 3.005 1.00 0.00 H new ATOM 0 HE3 MET A 125 -1.033 -13.472 4.772 1.00 0.00 H new ATOM 1842 N ASP A 126 3.590 -12.886 3.761 1.00 0.00 N ATOM 1843 CA ASP A 126 4.321 -13.694 4.729 1.00 0.00 C ATOM 1844 C ASP A 126 5.601 -12.999 5.173 1.00 0.00 C ATOM 1845 O ASP A 126 5.953 -13.020 6.353 1.00 0.00 O ATOM 1846 CB ASP A 126 4.657 -15.066 4.138 1.00 0.00 C ATOM 1847 CG ASP A 126 3.440 -15.973 4.019 1.00 0.00 C ATOM 1848 OD1 ASP A 126 2.425 -15.653 4.591 1.00 0.00 O ATOM 1849 OD2 ASP A 126 3.538 -16.980 3.359 1.00 0.00 O ATOM 0 H ASP A 126 3.485 -13.320 2.844 1.00 0.00 H new ATOM 0 HA ASP A 126 3.679 -13.826 5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 126 5.102 -14.932 3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 126 5.406 -15.552 4.763 1.00 0.00 H new ATOM 1854 N VAL A 127 6.295 -12.383 4.222 1.00 0.00 N ATOM 1855 CA VAL A 127 7.504 -11.627 4.523 1.00 0.00 C ATOM 1856 C VAL A 127 7.215 -10.487 5.492 1.00 0.00 C ATOM 1857 O VAL A 127 7.983 -10.240 6.422 1.00 0.00 O ATOM 1858 CB VAL A 127 8.113 -11.055 3.229 1.00 0.00 C ATOM 1859 CG1 VAL A 127 9.263 -10.112 3.552 1.00 0.00 C ATOM 1860 CG2 VAL A 127 8.582 -12.190 2.331 1.00 0.00 C ATOM 0 H VAL A 127 6.040 -12.393 3.234 1.00 0.00 H new ATOM 0 HA VAL A 127 8.213 -12.310 4.990 1.00 0.00 H new ATOM 0 HB VAL A 127 7.348 -10.486 2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 127 9.681 -9.717 2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 127 8.897 -9.288 4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 127 10.036 -10.654 4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.011 -11.778 1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.336 -12.779 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 127 7.735 -12.827 2.078 1.00 0.00 H new ATOM 1870 N VAL A 128 6.103 -9.795 5.268 1.00 0.00 N ATOM 1871 CA VAL A 128 5.665 -8.736 6.169 1.00 0.00 C ATOM 1872 C VAL A 128 5.531 -9.249 7.597 1.00 0.00 C ATOM 1873 O VAL A 128 6.003 -8.617 8.541 1.00 0.00 O ATOM 1874 CB VAL A 128 4.314 -8.163 5.703 1.00 0.00 C ATOM 1875 CG1 VAL A 128 3.780 -7.165 6.720 1.00 0.00 C ATOM 1876 CG2 VAL A 128 4.471 -7.510 4.339 1.00 0.00 C ATOM 0 H VAL A 128 5.488 -9.949 4.469 1.00 0.00 H new ATOM 0 HA VAL A 128 6.421 -7.951 6.150 1.00 0.00 H new ATOM 0 HB VAL A 128 3.595 -8.978 5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 128 2.825 -6.770 6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.641 -7.663 7.680 1.00 0.00 H new ATOM 0 HG13 VAL A 128 4.491 -6.347 6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.511 -7.107 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.200 -6.703 4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 128 4.814 -8.252 3.618 1.00 0.00 H new ATOM 1886 N ARG A 129 4.882 -10.400 7.748 1.00 0.00 N ATOM 1887 CA ARG A 129 4.667 -10.990 9.064 1.00 0.00 C ATOM 1888 C ARG A 129 5.989 -11.315 9.745 1.00 0.00 C ATOM 1889 O ARG A 129 6.090 -11.289 10.973 1.00 0.00 O ATOM 1890 CB ARG A 129 3.833 -12.258 8.952 1.00 0.00 C ATOM 1891 CG ARG A 129 2.371 -12.034 8.596 1.00 0.00 C ATOM 1892 CD ARG A 129 1.634 -13.317 8.468 1.00 0.00 C ATOM 1893 NE ARG A 129 0.243 -13.108 8.102 1.00 0.00 N ATOM 1894 CZ ARG A 129 -0.645 -14.096 7.873 1.00 0.00 C ATOM 1895 NH1 ARG A 129 -0.271 -15.352 7.976 1.00 0.00 N ATOM 1896 NH2 ARG A 129 -1.890 -13.802 7.544 1.00 0.00 N ATOM 0 H ARG A 129 4.496 -10.942 6.975 1.00 0.00 H new ATOM 0 HA ARG A 129 4.133 -10.257 9.668 1.00 0.00 H new ATOM 0 HB2 ARG A 129 4.281 -12.904 8.197 1.00 0.00 H new ATOM 0 HB3 ARG A 129 3.883 -12.793 9.900 1.00 0.00 H new ATOM 0 HG2 ARG A 129 1.900 -11.419 9.363 1.00 0.00 H new ATOM 0 HG3 ARG A 129 2.305 -11.481 7.659 1.00 0.00 H new ATOM 0 HD2 ARG A 129 2.118 -13.940 7.716 1.00 0.00 H new ATOM 0 HD3 ARG A 129 1.684 -13.860 9.412 1.00 0.00 H new ATOM 0 HE ARG A 129 -0.084 -12.146 8.012 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.691 -15.579 8.229 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.943 -16.100 7.803 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -2.180 -12.827 7.463 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -2.562 -14.550 7.371 1.00 0.00 H new ATOM 1910 N THR A 130 7.003 -11.620 8.944 1.00 0.00 N ATOM 1911 CA THR A 130 8.295 -12.045 9.469 1.00 0.00 C ATOM 1912 C THR A 130 9.270 -10.877 9.546 1.00 0.00 C ATOM 1913 O THR A 130 10.456 -11.063 9.821 1.00 0.00 O ATOM 1914 CB THR A 130 8.902 -13.169 8.608 1.00 0.00 C ATOM 1915 OG1 THR A 130 9.066 -12.707 7.260 1.00 0.00 O ATOM 1916 CG2 THR A 130 7.997 -14.393 8.614 1.00 0.00 C ATOM 0 H THR A 130 6.955 -11.581 7.926 1.00 0.00 H new ATOM 0 HA THR A 130 8.124 -12.426 10.476 1.00 0.00 H new ATOM 0 HB THR A 130 9.871 -13.443 9.026 1.00 0.00 H new ATOM 0 HG1 THR A 130 8.709 -11.798 7.180 1.00 0.00 H new ATOM 0 HG21 THR A 130 8.441 -15.177 8.001 1.00 0.00 H new ATOM 0 HG22 THR A 130 7.880 -14.754 9.636 1.00 0.00 H new ATOM 0 HG23 THR A 130 7.021 -14.126 8.210 1.00 0.00 H new ATOM 1924 N MET A 131 8.763 -9.674 9.299 1.00 0.00 N ATOM 1925 CA MET A 131 9.550 -8.460 9.483 1.00 0.00 C ATOM 1926 C MET A 131 9.877 -8.231 10.953 1.00 0.00 C ATOM 1927 O MET A 131 9.174 -8.718 11.838 1.00 0.00 O ATOM 1928 CB MET A 131 8.805 -7.256 8.910 1.00 0.00 C ATOM 1929 CG MET A 131 8.777 -7.198 7.389 1.00 0.00 C ATOM 1930 SD MET A 131 7.919 -5.739 6.765 1.00 0.00 S ATOM 1931 CE MET A 131 7.986 -6.036 5.000 1.00 0.00 C ATOM 0 H MET A 131 7.811 -9.513 8.971 1.00 0.00 H new ATOM 0 HA MET A 131 10.491 -8.583 8.946 1.00 0.00 H new ATOM 0 HB2 MET A 131 7.780 -7.269 9.280 1.00 0.00 H new ATOM 0 HB3 MET A 131 9.268 -6.344 9.288 1.00 0.00 H new ATOM 0 HG2 MET A 131 9.799 -7.203 7.010 1.00 0.00 H new ATOM 0 HG3 MET A 131 8.290 -8.094 7.004 1.00 0.00 H new ATOM 0 HE1 MET A 131 7.558 -5.184 4.471 1.00 0.00 H new ATOM 0 HE2 MET A 131 9.023 -6.170 4.693 1.00 0.00 H new ATOM 0 HE3 MET A 131 7.417 -6.935 4.760 1.00 0.00 H new ATOM 1941 N LYS A 132 10.950 -7.489 11.207 1.00 0.00 N ATOM 1942 CA LYS A 132 11.352 -7.166 12.571 1.00 0.00 C ATOM 1943 C LYS A 132 10.941 -5.749 12.946 1.00 0.00 C ATOM 1944 O LYS A 132 10.668 -4.921 12.076 1.00 0.00 O ATOM 1945 CB LYS A 132 12.864 -7.337 12.737 1.00 0.00 C ATOM 1946 CG LYS A 132 13.367 -8.754 12.494 1.00 0.00 C ATOM 1947 CD LYS A 132 14.873 -8.846 12.688 1.00 0.00 C ATOM 1948 CE LYS A 132 15.374 -10.267 12.477 1.00 0.00 C ATOM 1949 NZ LYS A 132 16.844 -10.375 12.682 1.00 0.00 N ATOM 0 H LYS A 132 11.557 -7.100 10.486 1.00 0.00 H new ATOM 0 HA LYS A 132 10.841 -7.857 13.242 1.00 0.00 H new ATOM 0 HB2 LYS A 132 13.372 -6.661 12.049 1.00 0.00 H new ATOM 0 HB3 LYS A 132 13.143 -7.033 13.746 1.00 0.00 H new ATOM 0 HG2 LYS A 132 12.867 -9.442 13.176 1.00 0.00 H new ATOM 0 HG3 LYS A 132 13.109 -9.065 11.482 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.373 -8.175 11.990 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.133 -8.512 13.693 1.00 0.00 H new ATOM 0 HE2 LYS A 132 14.861 -10.938 13.166 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.124 -10.594 11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 17.145 -11.359 12.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 17.335 -9.754 12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 17.081 -10.088 13.653 1.00 0.00 H new ATOM 1963 N ASN A 133 10.898 -5.474 14.245 1.00 0.00 N ATOM 1964 CA ASN A 133 10.637 -4.126 14.736 1.00 0.00 C ATOM 1965 C ASN A 133 11.812 -3.200 14.451 1.00 0.00 C ATOM 1966 O ASN A 133 12.909 -3.395 14.973 1.00 0.00 O ATOM 1967 CB ASN A 133 10.322 -4.150 16.219 1.00 0.00 C ATOM 1968 CG ASN A 133 8.982 -4.764 16.516 1.00 0.00 C ATOM 1969 OD1 ASN A 133 8.130 -4.884 15.627 1.00 0.00 O ATOM 1970 ND2 ASN A 133 8.778 -5.154 17.748 1.00 0.00 N ATOM 0 H ASN A 133 11.041 -6.168 14.978 1.00 0.00 H new ATOM 0 HA ASN A 133 9.768 -3.737 14.205 1.00 0.00 H new ATOM 0 HB2 ASN A 133 11.098 -4.709 16.742 1.00 0.00 H new ATOM 0 HB3 ASN A 133 10.345 -3.132 16.608 1.00 0.00 H new ATOM 0 HD21 ASN A 133 7.887 -5.577 18.008 1.00 0.00 H new ATOM 0 HD22 ASN A 133 9.510 -5.035 18.448 1.00 0.00 H new ATOM 1977 N GLY A 134 11.576 -2.190 13.621 1.00 0.00 N ATOM 1978 CA GLY A 134 12.637 -1.288 13.190 1.00 0.00 C ATOM 1979 C GLY A 134 13.257 -1.754 11.879 1.00 0.00 C ATOM 1980 O GLY A 134 14.281 -1.227 11.444 1.00 0.00 O ATOM 0 H GLY A 134 10.658 -1.975 13.233 1.00 0.00 H new ATOM 0 HA2 GLY A 134 12.236 -0.282 13.068 1.00 0.00 H new ATOM 0 HA3 GLY A 134 13.406 -1.233 13.960 1.00 0.00 H new ATOM 1984 N ASP A 135 12.632 -2.746 11.255 1.00 0.00 N ATOM 1985 CA ASP A 135 13.063 -3.219 9.945 1.00 0.00 C ATOM 1986 C ASP A 135 12.999 -2.105 8.909 1.00 0.00 C ATOM 1987 O ASP A 135 11.983 -1.420 8.781 1.00 0.00 O ATOM 1988 CB ASP A 135 12.201 -4.398 9.490 1.00 0.00 C ATOM 1989 CG ASP A 135 12.776 -5.121 8.280 1.00 0.00 C ATOM 1990 OD1 ASP A 135 13.768 -4.669 7.757 1.00 0.00 O ATOM 1991 OD2 ASP A 135 12.219 -6.119 7.888 1.00 0.00 O ATOM 0 H ASP A 135 11.824 -3.239 11.636 1.00 0.00 H new ATOM 0 HA ASP A 135 14.099 -3.547 10.036 1.00 0.00 H new ATOM 0 HB2 ASP A 135 12.097 -5.105 10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 135 11.200 -4.039 9.250 1.00 0.00 H new ATOM 1996 N VAL A 136 14.088 -1.927 8.169 1.00 0.00 N ATOM 1997 CA VAL A 136 14.251 -0.758 7.314 1.00 0.00 C ATOM 1998 C VAL A 136 13.708 -1.019 5.914 1.00 0.00 C ATOM 1999 O VAL A 136 13.960 -2.071 5.328 1.00 0.00 O ATOM 2000 CB VAL A 136 15.738 -0.367 7.220 1.00 0.00 C ATOM 2001 CG1 VAL A 136 15.921 0.810 6.273 1.00 0.00 C ATOM 2002 CG2 VAL A 136 16.275 -0.035 8.604 1.00 0.00 C ATOM 0 H VAL A 136 14.872 -2.579 8.144 1.00 0.00 H new ATOM 0 HA VAL A 136 13.686 0.060 7.761 1.00 0.00 H new ATOM 0 HB VAL A 136 16.301 -1.211 6.821 1.00 0.00 H new ATOM 0 HG11 VAL A 136 16.978 1.073 6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 136 15.564 0.537 5.280 1.00 0.00 H new ATOM 0 HG13 VAL A 136 15.353 1.665 6.641 1.00 0.00 H new ATOM 0 HG21 VAL A 136 17.327 0.241 8.530 1.00 0.00 H new ATOM 0 HG22 VAL A 136 15.710 0.798 9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 136 16.173 -0.905 9.252 1.00 0.00 H new ATOM 2012 N MET A 137 12.963 -0.054 5.385 1.00 0.00 N ATOM 2013 CA MET A 137 12.548 -0.087 3.988 1.00 0.00 C ATOM 2014 C MET A 137 13.587 0.572 3.089 1.00 0.00 C ATOM 2015 O MET A 137 13.960 1.726 3.298 1.00 0.00 O ATOM 2016 CB MET A 137 11.192 0.595 3.823 1.00 0.00 C ATOM 2017 CG MET A 137 10.038 -0.125 4.507 1.00 0.00 C ATOM 2018 SD MET A 137 8.451 0.689 4.234 1.00 0.00 S ATOM 2019 CE MET A 137 8.528 1.997 5.454 1.00 0.00 C ATOM 0 H MET A 137 12.634 0.761 5.903 1.00 0.00 H new ATOM 0 HA MET A 137 12.457 -1.131 3.687 1.00 0.00 H new ATOM 0 HB2 MET A 137 11.258 1.608 4.219 1.00 0.00 H new ATOM 0 HB3 MET A 137 10.970 0.683 2.759 1.00 0.00 H new ATOM 0 HG2 MET A 137 9.985 -1.149 4.138 1.00 0.00 H new ATOM 0 HG3 MET A 137 10.234 -0.181 5.578 1.00 0.00 H new ATOM 0 HE1 MET A 137 7.860 2.807 5.162 1.00 0.00 H new ATOM 0 HE2 MET A 137 8.223 1.607 6.425 1.00 0.00 H new ATOM 0 HE3 MET A 137 9.549 2.374 5.519 1.00 0.00 H new ATOM 2029 N LYS A 138 14.051 -0.168 2.088 1.00 0.00 N ATOM 2030 CA LYS A 138 15.124 0.303 1.219 1.00 0.00 C ATOM 2031 C LYS A 138 14.595 1.270 0.167 1.00 0.00 C ATOM 2032 O LYS A 138 15.207 2.303 -0.104 1.00 0.00 O ATOM 2033 CB LYS A 138 15.824 -0.877 0.545 1.00 0.00 C ATOM 2034 CG LYS A 138 17.015 -0.489 -0.321 1.00 0.00 C ATOM 2035 CD LYS A 138 17.748 -1.719 -0.836 1.00 0.00 C ATOM 2036 CE LYS A 138 18.974 -1.334 -1.651 1.00 0.00 C ATOM 2037 NZ LYS A 138 19.718 -2.528 -2.136 1.00 0.00 N ATOM 0 H LYS A 138 13.700 -1.098 1.858 1.00 0.00 H new ATOM 0 HA LYS A 138 15.846 0.835 1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 138 16.160 -1.572 1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 138 15.100 -1.410 -0.071 1.00 0.00 H new ATOM 0 HG2 LYS A 138 16.674 0.113 -1.163 1.00 0.00 H new ATOM 0 HG3 LYS A 138 17.701 0.130 0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 138 18.050 -2.343 0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 138 17.074 -2.316 -1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 138 18.667 -0.727 -2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 138 19.635 -0.717 -1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 20.545 -2.221 -2.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 20.034 -3.094 -1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 19.096 -3.104 -2.738 1.00 0.00 H new ATOM 2051 N GLU A 139 13.454 0.929 -0.423 1.00 0.00 N ATOM 2052 CA GLU A 139 12.770 1.827 -1.346 1.00 0.00 C ATOM 2053 C GLU A 139 11.302 1.449 -1.495 1.00 0.00 C ATOM 2054 O GLU A 139 10.938 0.278 -1.388 1.00 0.00 O ATOM 2055 CB GLU A 139 13.454 1.807 -2.714 1.00 0.00 C ATOM 2056 CG GLU A 139 13.366 0.473 -3.442 1.00 0.00 C ATOM 2057 CD GLU A 139 13.977 0.514 -4.816 1.00 0.00 C ATOM 2058 OE1 GLU A 139 15.121 0.884 -4.926 1.00 0.00 O ATOM 2059 OE2 GLU A 139 13.297 0.176 -5.756 1.00 0.00 O ATOM 0 H GLU A 139 12.983 0.036 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 139 12.825 2.834 -0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 139 13.008 2.579 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 139 14.504 2.068 -2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 139 13.868 -0.292 -2.850 1.00 0.00 H new ATOM 0 HG3 GLU A 139 12.320 0.178 -3.524 1.00 0.00 H new ATOM 2066 N VAL A 140 10.462 2.448 -1.744 1.00 0.00 N ATOM 2067 CA VAL A 140 9.050 2.211 -2.018 1.00 0.00 C ATOM 2068 C VAL A 140 8.613 2.902 -3.303 1.00 0.00 C ATOM 2069 O VAL A 140 8.751 4.118 -3.443 1.00 0.00 O ATOM 2070 CB VAL A 140 8.186 2.717 -0.848 1.00 0.00 C ATOM 2071 CG1 VAL A 140 6.712 2.463 -1.124 1.00 0.00 C ATOM 2072 CG2 VAL A 140 8.618 2.040 0.445 1.00 0.00 C ATOM 0 H VAL A 140 10.735 3.431 -1.762 1.00 0.00 H new ATOM 0 HA VAL A 140 8.913 1.136 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 140 8.328 3.793 -0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 140 6.117 2.827 -0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 140 6.417 2.986 -2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 140 6.545 1.393 -1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 140 8.003 2.402 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 140 8.497 0.961 0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 140 9.664 2.271 0.645 1.00 0.00 H new ATOM 2082 N LYS A 141 8.088 2.122 -4.240 1.00 0.00 N ATOM 2083 CA LYS A 141 7.777 2.627 -5.572 1.00 0.00 C ATOM 2084 C LYS A 141 6.311 2.397 -5.921 1.00 0.00 C ATOM 2085 O LYS A 141 5.746 1.350 -5.607 1.00 0.00 O ATOM 2086 CB LYS A 141 8.676 1.966 -6.619 1.00 0.00 C ATOM 2087 CG LYS A 141 10.167 2.149 -6.372 1.00 0.00 C ATOM 2088 CD LYS A 141 10.583 3.602 -6.546 1.00 0.00 C ATOM 2089 CE LYS A 141 12.077 3.782 -6.322 1.00 0.00 C ATOM 2090 NZ LYS A 141 12.488 5.208 -6.437 1.00 0.00 N ATOM 0 H LYS A 141 7.868 1.136 -4.102 1.00 0.00 H new ATOM 0 HA LYS A 141 7.963 3.701 -5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 141 8.453 0.899 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 141 8.430 2.372 -7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 141 10.414 1.816 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 141 10.732 1.522 -7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 141 10.321 3.940 -7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 141 10.030 4.227 -5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 141 12.344 3.406 -5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 141 12.628 3.186 -7.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 13.513 5.288 -6.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 12.257 5.560 -7.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 11.982 5.774 -5.726 1.00 0.00 H new ATOM 2104 N VAL A 142 5.703 3.382 -6.572 1.00 0.00 N ATOM 2105 CA VAL A 142 4.333 3.249 -7.055 1.00 0.00 C ATOM 2106 C VAL A 142 4.233 3.607 -8.533 1.00 0.00 C ATOM 2107 O VAL A 142 4.859 4.562 -8.993 1.00 0.00 O ATOM 2108 CB VAL A 142 3.390 4.157 -6.245 1.00 0.00 C ATOM 2109 CG1 VAL A 142 1.975 4.086 -6.799 1.00 0.00 C ATOM 2110 CG2 VAL A 142 3.416 3.753 -4.778 1.00 0.00 C ATOM 0 H VAL A 142 6.137 4.282 -6.778 1.00 0.00 H new ATOM 0 HA VAL A 142 4.036 2.208 -6.927 1.00 0.00 H new ATOM 0 HB VAL A 142 3.734 5.188 -6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.322 4.734 -6.214 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.974 4.413 -7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.613 3.059 -6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.747 4.400 -4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 142 3.090 2.718 -4.680 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.430 3.852 -4.391 1.00 0.00 H new ATOM 2120 N PHE A 143 3.442 2.836 -9.271 1.00 0.00 N ATOM 2121 CA PHE A 143 3.382 2.967 -10.721 1.00 0.00 C ATOM 2122 C PHE A 143 1.999 2.609 -11.250 1.00 0.00 C ATOM 2123 O PHE A 143 1.168 2.064 -10.523 1.00 0.00 O ATOM 2124 CB PHE A 143 4.434 2.073 -11.383 1.00 0.00 C ATOM 2125 CG PHE A 143 4.283 0.615 -11.053 1.00 0.00 C ATOM 2126 CD1 PHE A 143 4.877 0.081 -9.920 1.00 0.00 C ATOM 2127 CD2 PHE A 143 3.546 -0.225 -11.875 1.00 0.00 C ATOM 2128 CE1 PHE A 143 4.742 -1.260 -9.615 1.00 0.00 C ATOM 2129 CE2 PHE A 143 3.408 -1.565 -11.573 1.00 0.00 C ATOM 2130 CZ PHE A 143 4.006 -2.084 -10.443 1.00 0.00 C ATOM 0 H PHE A 143 2.833 2.113 -8.888 1.00 0.00 H new ATOM 0 HA PHE A 143 3.588 4.009 -10.968 1.00 0.00 H new ATOM 0 HB2 PHE A 143 4.377 2.199 -12.464 1.00 0.00 H new ATOM 0 HB3 PHE A 143 5.426 2.405 -11.075 1.00 0.00 H new ATOM 0 HD1 PHE A 143 5.452 0.721 -9.268 1.00 0.00 H new ATOM 0 HD2 PHE A 143 3.075 0.174 -12.761 1.00 0.00 H new ATOM 0 HE1 PHE A 143 5.212 -1.663 -8.730 1.00 0.00 H new ATOM 0 HE2 PHE A 143 2.831 -2.208 -12.222 1.00 0.00 H new ATOM 0 HZ PHE A 143 3.899 -3.132 -10.207 1.00 0.00 H new ATOM 2140 N ASP A 144 1.758 2.919 -12.519 1.00 0.00 N ATOM 2141 CA ASP A 144 0.506 2.556 -13.172 1.00 0.00 C ATOM 2142 C ASP A 144 0.678 1.317 -14.043 1.00 0.00 C ATOM 2143 O ASP A 144 1.743 1.095 -14.619 1.00 0.00 O ATOM 2144 CB ASP A 144 -0.012 3.717 -14.023 1.00 0.00 C ATOM 2145 CG ASP A 144 -0.313 4.964 -13.203 1.00 0.00 C ATOM 2146 OD1 ASP A 144 -1.011 4.854 -12.224 1.00 0.00 O ATOM 2147 OD2 ASP A 144 0.160 6.016 -13.565 1.00 0.00 O ATOM 0 H ASP A 144 2.414 3.422 -13.117 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.221 2.332 -12.391 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.727 3.960 -14.786 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -0.917 3.404 -14.544 1.00 0.00 H new ATOM 2152 N GLU A 145 -0.376 0.514 -14.136 1.00 0.00 N ATOM 2153 CA GLU A 145 -0.339 -0.712 -14.922 1.00 0.00 C ATOM 2154 C GLU A 145 -1.686 -0.990 -15.577 1.00 0.00 C ATOM 2155 O GLU A 145 -2.730 -0.895 -14.933 1.00 0.00 O ATOM 2156 CB GLU A 145 0.066 -1.898 -14.044 1.00 0.00 C ATOM 2157 CG GLU A 145 0.223 -3.213 -14.794 1.00 0.00 C ATOM 2158 CD GLU A 145 0.700 -4.336 -13.914 1.00 0.00 C ATOM 2159 OE1 GLU A 145 1.747 -4.201 -13.327 1.00 0.00 O ATOM 2160 OE2 GLU A 145 0.016 -5.329 -13.830 1.00 0.00 O ATOM 0 H GLU A 145 -1.269 0.691 -13.675 1.00 0.00 H new ATOM 0 HA GLU A 145 0.404 -0.578 -15.709 1.00 0.00 H new ATOM 0 HB2 GLU A 145 1.008 -1.662 -13.548 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -0.682 -2.027 -13.262 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -0.733 -3.488 -15.239 1.00 0.00 H new ATOM 0 HG3 GLU A 145 0.928 -3.076 -15.614 1.00 0.00 H new ATOM 2167 N PRO A 146 -1.655 -1.332 -16.860 1.00 0.00 N ATOM 2168 CA PRO A 146 -2.875 -1.627 -17.604 1.00 0.00 C ATOM 2169 C PRO A 146 -3.404 -3.015 -17.266 1.00 0.00 C ATOM 2170 O PRO A 146 -4.317 -3.120 -16.873 1.00 0.00 O ATOM 2171 CB PRO A 146 -2.418 -1.535 -19.063 1.00 0.00 C ATOM 2172 CG PRO A 146 -0.991 -1.963 -19.028 1.00 0.00 C ATOM 2173 CD PRO A 146 -0.459 -1.387 -17.743 1.00 0.00 C ATOM 2174 OXT PRO A 146 -2.725 -3.983 -17.472 1.00 0.00 O ATOM 0 HA PRO A 146 -3.697 -0.949 -17.373 1.00 0.00 H new ATOM 0 HB2 PRO A 146 -3.012 -2.183 -19.708 1.00 0.00 H new ATOM 0 HB3 PRO A 146 -2.520 -0.521 -19.449 1.00 0.00 H new ATOM 0 HG2 PRO A 146 -0.901 -3.049 -19.044 1.00 0.00 H new ATOM 0 HG3 PRO A 146 -0.442 -1.585 -19.890 1.00 0.00 H new ATOM 0 HD2 PRO A 146 0.325 -2.014 -17.317 1.00 0.00 H new ATOM 0 HD3 PRO A 146 -0.028 -0.398 -17.896 1.00 0.00 H new TER 2182 PRO A 146