USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 530 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 5 HIS : no HD1:sc= -0.984 K(o=-1.3,f=-4!) USER MOD Set 1.2: A 73 ASN : amide:sc= -0.314 K(o=-1.3,f=-12!) USER MOD Set 2.1: A 32 THR OG1 : rot -35:sc= 1.06 USER MOD Set 2.2: A 62 SER OG : rot -150:sc= 0.167 USER MOD Set 3.1: A 35 THR OG1 : rot 180:sc= -0.403 USER MOD Set 3.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 28 MET CE :methyl -124:sc= 0 (180deg=-0.0279) USER MOD Set 4.2: A 30 THR OG1 : rot -73:sc= 0.0763 USER MOD Set 4.3: A 64 THR OG1 : rot 180:sc= 0.0749 USER MOD Single : A 1 MET CE :methyl 167:sc= 0 (180deg=-0.222) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 13 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.47) USER MOD Single : A 16 ASN : amide:sc= 0.119 K(o=0.12,f=-1!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 100:sc= -0.907 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.819 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 171:sc= -0.683 USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= 0.491 (180deg=0.423) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -129:sc= 0.802 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -150:sc= -0.222 (180deg=-0.852) USER MOD Single : A 60 HIS : no HE2:sc= -0.111 K(o=-0.11,f=-0.99) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -2.26 K(o=-2.3,f=-1.4) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.459 -5.920 -2.488 1.00 70.43 N ATOM 2 CA MET A 1 -1.792 -4.879 -1.715 1.00 61.15 C ATOM 3 C MET A 1 -0.478 -5.391 -1.133 1.00 72.34 C ATOM 4 O MET A 1 -0.469 -6.111 -0.134 1.00 12.12 O ATOM 5 CB MET A 1 -2.704 -4.386 -0.590 1.00 43.24 C ATOM 6 CG MET A 1 -2.458 -2.937 -0.200 1.00 71.31 C ATOM 7 SD MET A 1 -3.937 -2.131 0.444 1.00 23.33 S ATOM 8 CE MET A 1 -4.408 -3.274 1.740 1.00 21.32 C ATOM 0 H1 MET A 1 -3.350 -5.549 -2.874 1.00 70.43 H new ATOM 0 H2 MET A 1 -1.842 -6.221 -3.269 1.00 70.43 H new ATOM 0 H3 MET A 1 -2.661 -6.734 -1.873 1.00 70.43 H new ATOM 0 HA MET A 1 -1.572 -4.048 -2.385 1.00 61.15 H new ATOM 0 HB2 MET A 1 -3.743 -4.499 -0.900 1.00 43.24 H new ATOM 0 HB3 MET A 1 -2.562 -5.019 0.286 1.00 43.24 H new ATOM 0 HG2 MET A 1 -1.670 -2.896 0.552 1.00 71.31 H new ATOM 0 HG3 MET A 1 -2.098 -2.387 -1.069 1.00 71.31 H new ATOM 0 HE1 MET A 1 -5.159 -2.810 2.379 1.00 21.32 H new ATOM 0 HE2 MET A 1 -4.820 -4.180 1.295 1.00 21.32 H new ATOM 0 HE3 MET A 1 -3.532 -3.529 2.336 1.00 21.32 H new ATOM 18 N LEU A 2 0.629 -5.017 -1.764 1.00 41.34 N ATOM 19 CA LEU A 2 1.949 -5.439 -1.309 1.00 2.30 C ATOM 20 C LEU A 2 3.022 -4.453 -1.761 1.00 70.00 C ATOM 21 O LEU A 2 2.901 -3.829 -2.815 1.00 61.15 O ATOM 22 CB LEU A 2 2.270 -6.837 -1.838 1.00 60.54 C ATOM 23 CG LEU A 2 3.613 -7.427 -1.406 1.00 70.10 C ATOM 24 CD1 LEU A 2 3.567 -7.845 0.055 1.00 33.15 C ATOM 25 CD2 LEU A 2 3.986 -8.609 -2.289 1.00 74.11 C ATOM 0 H LEU A 2 0.639 -4.422 -2.593 1.00 41.34 H new ATOM 0 HA LEU A 2 1.940 -5.463 -0.219 1.00 2.30 H new ATOM 0 HB2 LEU A 2 1.479 -7.515 -1.518 1.00 60.54 H new ATOM 0 HB3 LEU A 2 2.243 -6.806 -2.927 1.00 60.54 H new ATOM 0 HG LEU A 2 4.378 -6.659 -1.519 1.00 70.10 H new ATOM 0 HD11 LEU A 2 4.531 -8.263 0.345 1.00 33.15 H new ATOM 0 HD12 LEU A 2 3.347 -6.976 0.675 1.00 33.15 H new ATOM 0 HD13 LEU A 2 2.790 -8.596 0.194 1.00 33.15 H new ATOM 0 HD21 LEU A 2 4.944 -9.016 -1.967 1.00 74.11 H new ATOM 0 HD22 LEU A 2 3.219 -9.380 -2.209 1.00 74.11 H new ATOM 0 HD23 LEU A 2 4.062 -8.279 -3.325 1.00 74.11 H new ATOM 37 N ASP A 3 4.072 -4.320 -0.958 1.00 14.32 N ATOM 38 CA ASP A 3 5.168 -3.412 -1.277 1.00 30.54 C ATOM 39 C ASP A 3 6.485 -4.173 -1.398 1.00 73.12 C ATOM 40 O ASP A 3 6.759 -5.089 -0.623 1.00 33.53 O ATOM 41 CB ASP A 3 5.288 -2.328 -0.205 1.00 44.42 C ATOM 42 CG ASP A 3 3.953 -1.987 0.426 1.00 10.32 C ATOM 43 OD1 ASP A 3 3.431 -2.820 1.195 1.00 32.33 O ATOM 44 OD2 ASP A 3 3.429 -0.887 0.151 1.00 45.44 O ATOM 0 H ASP A 3 4.187 -4.829 -0.082 1.00 14.32 H new ATOM 0 HA ASP A 3 4.951 -2.941 -2.236 1.00 30.54 H new ATOM 0 HB2 ASP A 3 5.978 -2.662 0.570 1.00 44.42 H new ATOM 0 HB3 ASP A 3 5.717 -1.429 -0.648 1.00 44.42 H new ATOM 49 N CYS A 4 7.296 -3.788 -2.377 1.00 44.23 N ATOM 50 CA CYS A 4 8.584 -4.433 -2.603 1.00 31.54 C ATOM 51 C CYS A 4 9.543 -3.495 -3.330 1.00 20.44 C ATOM 52 O CYS A 4 9.164 -2.398 -3.739 1.00 51.34 O ATOM 53 CB CYS A 4 8.399 -5.719 -3.412 1.00 12.33 C ATOM 54 SG CYS A 4 8.143 -7.208 -2.394 1.00 1.21 S ATOM 0 H CYS A 4 7.084 -3.032 -3.028 1.00 44.23 H new ATOM 0 HA CYS A 4 9.013 -4.681 -1.632 1.00 31.54 H new ATOM 0 HB2 CYS A 4 7.545 -5.597 -4.079 1.00 12.33 H new ATOM 0 HB3 CYS A 4 9.276 -5.869 -4.042 1.00 12.33 H new ATOM 59 N HIS A 5 10.788 -3.936 -3.486 1.00 55.44 N ATOM 60 CA HIS A 5 11.801 -3.136 -4.165 1.00 25.12 C ATOM 61 C HIS A 5 11.709 -3.311 -5.678 1.00 13.04 C ATOM 62 O HIS A 5 11.875 -4.415 -6.197 1.00 14.14 O ATOM 63 CB HIS A 5 13.198 -3.526 -3.679 1.00 72.23 C ATOM 64 CG HIS A 5 13.448 -3.189 -2.242 1.00 30.14 C ATOM 65 ND1 HIS A 5 13.646 -1.900 -1.794 1.00 50.24 N ATOM 66 CD2 HIS A 5 13.530 -3.982 -1.148 1.00 0.03 C ATOM 67 CE1 HIS A 5 13.841 -1.914 -0.488 1.00 32.41 C ATOM 68 NE2 HIS A 5 13.775 -3.166 -0.071 1.00 11.13 N ATOM 0 H HIS A 5 11.119 -4.841 -3.152 1.00 55.44 H new ATOM 0 HA HIS A 5 11.620 -2.088 -3.927 1.00 25.12 H new ATOM 0 HB2 HIS A 5 13.337 -4.598 -3.822 1.00 72.23 H new ATOM 0 HB3 HIS A 5 13.942 -3.023 -4.296 1.00 72.23 H new ATOM 0 HD2 HIS A 5 13.423 -5.056 -1.126 1.00 0.03 H new ATOM 0 HE1 HIS A 5 14.023 -1.050 0.133 1.00 32.41 H new ATOM 0 HE2 HIS A 5 13.888 -3.476 0.894 1.00 11.13 H new ATOM 76 N VAL A 6 11.442 -2.214 -6.380 1.00 74.51 N ATOM 77 CA VAL A 6 11.327 -2.246 -7.833 1.00 71.52 C ATOM 78 C VAL A 6 12.394 -1.377 -8.488 1.00 4.00 C ATOM 79 O VAL A 6 12.310 -0.149 -8.467 1.00 15.35 O ATOM 80 CB VAL A 6 9.937 -1.771 -8.297 1.00 44.12 C ATOM 81 CG1 VAL A 6 9.755 -2.026 -9.786 1.00 31.25 C ATOM 82 CG2 VAL A 6 8.844 -2.457 -7.492 1.00 52.32 C ATOM 0 H VAL A 6 11.301 -1.293 -5.966 1.00 74.51 H new ATOM 0 HA VAL A 6 11.469 -3.283 -8.139 1.00 71.52 H new ATOM 0 HB VAL A 6 9.863 -0.697 -8.125 1.00 44.12 H new ATOM 0 HG11 VAL A 6 8.767 -1.684 -10.096 1.00 31.25 H new ATOM 0 HG12 VAL A 6 10.518 -1.484 -10.344 1.00 31.25 H new ATOM 0 HG13 VAL A 6 9.849 -3.093 -9.986 1.00 31.25 H new ATOM 0 HG21 VAL A 6 7.869 -2.110 -7.833 1.00 52.32 H new ATOM 0 HG22 VAL A 6 8.914 -3.536 -7.630 1.00 52.32 H new ATOM 0 HG23 VAL A 6 8.965 -2.218 -6.436 1.00 52.32 H new ATOM 92 N CYS A 7 13.400 -2.022 -9.071 1.00 15.04 N ATOM 93 CA CYS A 7 14.485 -1.309 -9.733 1.00 1.34 C ATOM 94 C CYS A 7 15.482 -2.286 -10.349 1.00 20.14 C ATOM 95 O CYS A 7 15.350 -3.500 -10.198 1.00 25.31 O ATOM 96 CB CYS A 7 15.201 -0.391 -8.739 1.00 71.23 C ATOM 97 SG CYS A 7 15.827 -1.245 -7.257 1.00 1.22 S ATOM 0 H CYS A 7 13.485 -3.038 -9.098 1.00 15.04 H new ATOM 0 HA CYS A 7 14.055 -0.704 -10.532 1.00 1.34 H new ATOM 0 HB2 CYS A 7 16.035 0.095 -9.245 1.00 71.23 H new ATOM 0 HB3 CYS A 7 14.514 0.397 -8.429 1.00 71.23 H new ATOM 102 N ALA A 8 16.479 -1.747 -11.043 1.00 10.14 N ATOM 103 CA ALA A 8 17.499 -2.570 -11.679 1.00 64.33 C ATOM 104 C ALA A 8 18.865 -1.894 -11.622 1.00 21.35 C ATOM 105 O ALA A 8 19.004 -0.723 -11.976 1.00 24.43 O ATOM 106 CB ALA A 8 17.115 -2.866 -13.122 1.00 1.54 C ATOM 0 H ALA A 8 16.602 -0.744 -11.179 1.00 10.14 H new ATOM 0 HA ALA A 8 17.565 -3.510 -11.131 1.00 64.33 H new ATOM 0 HB1 ALA A 8 17.886 -3.482 -13.585 1.00 1.54 H new ATOM 0 HB2 ALA A 8 16.164 -3.398 -13.144 1.00 1.54 H new ATOM 0 HB3 ALA A 8 17.019 -1.930 -13.672 1.00 1.54 H new ATOM 112 N TYR A 9 19.870 -2.638 -11.173 1.00 34.54 N ATOM 113 CA TYR A 9 21.224 -2.110 -11.065 1.00 42.45 C ATOM 114 C TYR A 9 22.256 -3.186 -11.386 1.00 24.43 C ATOM 115 O TYR A 9 22.004 -4.377 -11.204 1.00 44.22 O ATOM 116 CB TYR A 9 21.468 -1.555 -9.661 1.00 21.11 C ATOM 117 CG TYR A 9 22.846 -0.961 -9.475 1.00 51.34 C ATOM 118 CD1 TYR A 9 23.247 0.153 -10.203 1.00 12.42 C ATOM 119 CD2 TYR A 9 23.747 -1.513 -8.574 1.00 20.31 C ATOM 120 CE1 TYR A 9 24.505 0.700 -10.037 1.00 71.43 C ATOM 121 CE2 TYR A 9 25.006 -0.973 -8.401 1.00 5.22 C ATOM 122 CZ TYR A 9 25.381 0.133 -9.135 1.00 12.32 C ATOM 123 OH TYR A 9 26.635 0.674 -8.966 1.00 60.23 O ATOM 0 H TYR A 9 19.772 -3.609 -10.878 1.00 34.54 H new ATOM 0 HA TYR A 9 21.330 -1.303 -11.790 1.00 42.45 H new ATOM 0 HB2 TYR A 9 20.720 -0.791 -9.447 1.00 21.11 H new ATOM 0 HB3 TYR A 9 21.325 -2.354 -8.934 1.00 21.11 H new ATOM 0 HD1 TYR A 9 22.564 0.599 -10.911 1.00 12.42 H new ATOM 0 HD2 TYR A 9 23.458 -2.380 -7.998 1.00 20.31 H new ATOM 0 HE1 TYR A 9 24.801 1.566 -10.610 1.00 71.43 H new ATOM 0 HE2 TYR A 9 25.694 -1.414 -7.695 1.00 5.22 H new ATOM 0 HH TYR A 9 27.126 0.157 -8.294 1.00 60.23 H new ATOM 133 N ASN A 10 23.420 -2.758 -11.863 1.00 4.22 N ATOM 134 CA ASN A 10 24.492 -3.684 -12.209 1.00 24.12 C ATOM 135 C ASN A 10 25.474 -3.838 -11.051 1.00 13.53 C ATOM 136 O ASN A 10 26.642 -3.466 -11.160 1.00 34.55 O ATOM 137 CB ASN A 10 25.231 -3.198 -13.457 1.00 65.22 C ATOM 138 CG ASN A 10 24.298 -2.977 -14.632 1.00 65.32 C ATOM 139 OD1 ASN A 10 23.238 -3.596 -14.722 1.00 11.03 O ATOM 140 ND2 ASN A 10 24.691 -2.092 -15.541 1.00 13.34 N ATOM 0 H ASN A 10 23.645 -1.775 -12.019 1.00 4.22 H new ATOM 0 HA ASN A 10 24.045 -4.657 -12.415 1.00 24.12 H new ATOM 0 HB2 ASN A 10 25.750 -2.267 -13.229 1.00 65.22 H new ATOM 0 HB3 ASN A 10 25.992 -3.928 -13.733 1.00 65.22 H new ATOM 0 HD21 ASN A 10 24.106 -1.902 -16.355 1.00 13.34 H new ATOM 0 HD22 ASN A 10 25.578 -1.602 -15.425 1.00 13.34 H new ATOM 147 N GLY A 11 24.990 -4.388 -9.941 1.00 61.01 N ATOM 148 CA GLY A 11 25.837 -4.581 -8.779 1.00 23.51 C ATOM 149 C GLY A 11 25.235 -5.546 -7.776 1.00 41.05 C ATOM 150 O GLY A 11 24.708 -6.593 -8.152 1.00 72.20 O ATOM 0 H GLY A 11 24.027 -4.703 -9.826 1.00 61.01 H new ATOM 0 HA2 GLY A 11 26.809 -4.955 -9.100 1.00 23.51 H new ATOM 0 HA3 GLY A 11 26.009 -3.620 -8.295 1.00 23.51 H new ATOM 154 N ASP A 12 25.315 -5.194 -6.498 1.00 74.10 N ATOM 155 CA ASP A 12 24.773 -6.037 -5.438 1.00 5.31 C ATOM 156 C ASP A 12 23.252 -6.102 -5.519 1.00 74.34 C ATOM 157 O ASP A 12 22.687 -7.098 -5.971 1.00 11.32 O ATOM 158 CB ASP A 12 25.201 -5.507 -4.068 1.00 71.41 C ATOM 159 CG ASP A 12 26.523 -6.090 -3.609 1.00 42.02 C ATOM 160 OD1 ASP A 12 26.672 -7.329 -3.649 1.00 72.55 O ATOM 161 OD2 ASP A 12 27.410 -5.306 -3.211 1.00 32.45 O ATOM 0 H ASP A 12 25.750 -4.331 -6.170 1.00 74.10 H new ATOM 0 HA ASP A 12 25.169 -7.044 -5.570 1.00 5.31 H new ATOM 0 HB2 ASP A 12 25.282 -4.421 -4.111 1.00 71.41 H new ATOM 0 HB3 ASP A 12 24.430 -5.741 -3.334 1.00 71.41 H new ATOM 166 N ASN A 13 22.594 -5.035 -5.078 1.00 51.02 N ATOM 167 CA ASN A 13 21.137 -4.972 -5.100 1.00 30.13 C ATOM 168 C ASN A 13 20.650 -3.546 -4.860 1.00 64.12 C ATOM 169 O ASN A 13 20.957 -2.938 -3.834 1.00 53.12 O ATOM 170 CB ASN A 13 20.550 -5.908 -4.041 1.00 53.12 C ATOM 171 CG ASN A 13 21.558 -6.273 -2.969 1.00 12.34 C ATOM 172 OD1 ASN A 13 22.021 -7.411 -2.898 1.00 33.24 O ATOM 173 ND2 ASN A 13 21.903 -5.305 -2.127 1.00 54.12 N ATOM 0 H ASN A 13 23.046 -4.202 -4.701 1.00 51.02 H new ATOM 0 HA ASN A 13 20.799 -5.291 -6.086 1.00 30.13 H new ATOM 0 HB2 ASN A 13 19.687 -5.431 -3.577 1.00 53.12 H new ATOM 0 HB3 ASN A 13 20.191 -6.817 -4.523 1.00 53.12 H new ATOM 0 HD21 ASN A 13 22.577 -5.491 -1.385 1.00 54.12 H new ATOM 0 HD22 ASN A 13 21.494 -4.376 -2.223 1.00 54.12 H new ATOM 180 N CYS A 14 19.890 -3.018 -5.814 1.00 21.34 N ATOM 181 CA CYS A 14 19.360 -1.664 -5.708 1.00 21.32 C ATOM 182 C CYS A 14 18.183 -1.615 -4.738 1.00 21.12 C ATOM 183 O CYS A 14 17.365 -2.534 -4.690 1.00 51.13 O ATOM 184 CB CYS A 14 18.923 -1.156 -7.083 1.00 62.22 C ATOM 185 SG CYS A 14 17.606 -2.148 -7.858 1.00 50.31 S ATOM 0 H CYS A 14 19.627 -3.508 -6.669 1.00 21.34 H new ATOM 0 HA CYS A 14 20.151 -1.020 -5.325 1.00 21.32 H new ATOM 0 HB2 CYS A 14 18.578 -0.127 -6.985 1.00 62.22 H new ATOM 0 HB3 CYS A 14 19.789 -1.141 -7.745 1.00 62.22 H new ATOM 190 N PHE A 15 18.104 -0.536 -3.966 1.00 24.20 N ATOM 191 CA PHE A 15 17.028 -0.367 -2.996 1.00 44.44 C ATOM 192 C PHE A 15 16.025 0.679 -3.475 1.00 21.24 C ATOM 193 O PHE A 15 16.364 1.850 -3.640 1.00 62.44 O ATOM 194 CB PHE A 15 17.598 0.042 -1.636 1.00 64.24 C ATOM 195 CG PHE A 15 18.347 -1.061 -0.945 1.00 21.34 C ATOM 196 CD1 PHE A 15 17.841 -2.351 -0.921 1.00 4.03 C ATOM 197 CD2 PHE A 15 19.557 -0.808 -0.318 1.00 34.24 C ATOM 198 CE1 PHE A 15 18.528 -3.368 -0.285 1.00 70.42 C ATOM 199 CE2 PHE A 15 20.248 -1.822 0.319 1.00 11.30 C ATOM 200 CZ PHE A 15 19.732 -3.103 0.336 1.00 24.03 C ATOM 0 H PHE A 15 18.772 0.234 -3.993 1.00 24.20 H new ATOM 0 HA PHE A 15 16.511 -1.321 -2.893 1.00 44.44 H new ATOM 0 HB2 PHE A 15 18.264 0.894 -1.771 1.00 64.24 H new ATOM 0 HB3 PHE A 15 16.782 0.374 -0.994 1.00 64.24 H new ATOM 0 HD1 PHE A 15 16.899 -2.564 -1.405 1.00 4.03 H new ATOM 0 HD2 PHE A 15 19.964 0.192 -0.327 1.00 34.24 H new ATOM 0 HE1 PHE A 15 18.123 -4.369 -0.274 1.00 70.42 H new ATOM 0 HE2 PHE A 15 21.191 -1.613 0.803 1.00 11.30 H new ATOM 0 HZ PHE A 15 20.270 -3.896 0.834 1.00 24.03 H new ATOM 210 N ASN A 16 14.788 0.246 -3.695 1.00 60.30 N ATOM 211 CA ASN A 16 13.735 1.143 -4.155 1.00 53.15 C ATOM 212 C ASN A 16 12.356 0.549 -3.882 1.00 41.41 C ATOM 213 O ASN A 16 11.721 -0.038 -4.758 1.00 60.10 O ATOM 214 CB ASN A 16 13.894 1.425 -5.651 1.00 34.21 C ATOM 215 CG ASN A 16 13.234 2.725 -6.068 1.00 13.24 C ATOM 216 OD1 ASN A 16 13.234 3.702 -5.319 1.00 11.15 O ATOM 217 ND2 ASN A 16 12.667 2.742 -7.268 1.00 53.53 N ATOM 0 H ASN A 16 14.490 -0.721 -3.562 1.00 60.30 H new ATOM 0 HA ASN A 16 13.823 2.079 -3.604 1.00 53.15 H new ATOM 0 HB2 ASN A 16 14.955 1.463 -5.900 1.00 34.21 H new ATOM 0 HB3 ASN A 16 13.462 0.602 -6.221 1.00 34.21 H new ATOM 0 HD21 ASN A 16 12.207 3.589 -7.603 1.00 53.53 H new ATOM 0 HD22 ASN A 16 12.691 1.908 -7.855 1.00 53.53 H new ATOM 224 N PRO A 17 11.881 0.706 -2.638 1.00 33.23 N ATOM 225 CA PRO A 17 10.572 0.193 -2.220 1.00 4.41 C ATOM 226 C PRO A 17 9.419 0.957 -2.862 1.00 31.14 C ATOM 227 O PRO A 17 9.307 2.173 -2.711 1.00 2.05 O ATOM 228 CB PRO A 17 10.576 0.405 -0.704 1.00 1.31 C ATOM 229 CG PRO A 17 11.527 1.530 -0.481 1.00 25.21 C ATOM 230 CD PRO A 17 12.584 1.395 -1.543 1.00 14.42 C ATOM 0 HA PRO A 17 10.426 -0.845 -2.518 1.00 4.41 H new ATOM 0 HB2 PRO A 17 9.580 0.650 -0.336 1.00 1.31 H new ATOM 0 HB3 PRO A 17 10.897 -0.495 -0.179 1.00 1.31 H new ATOM 0 HG2 PRO A 17 11.019 2.491 -0.556 1.00 25.21 H new ATOM 0 HG3 PRO A 17 11.966 1.478 0.515 1.00 25.21 H new ATOM 0 HD2 PRO A 17 12.964 2.367 -1.858 1.00 14.42 H new ATOM 0 HD3 PRO A 17 13.439 0.819 -1.189 1.00 14.42 H new ATOM 238 N MET A 18 8.563 0.235 -3.578 1.00 23.13 N ATOM 239 CA MET A 18 7.417 0.845 -4.241 1.00 51.30 C ATOM 240 C MET A 18 6.183 -0.044 -4.123 1.00 3.04 C ATOM 241 O MET A 18 6.279 -1.268 -4.210 1.00 34.32 O ATOM 242 CB MET A 18 7.733 1.106 -5.715 1.00 73.21 C ATOM 243 CG MET A 18 9.115 1.694 -5.946 1.00 2.23 C ATOM 244 SD MET A 18 9.204 3.445 -5.523 1.00 24.21 S ATOM 245 CE MET A 18 8.691 4.193 -7.067 1.00 62.34 C ATOM 0 H MET A 18 8.642 -0.773 -3.714 1.00 23.13 H new ATOM 0 HA MET A 18 7.207 1.794 -3.748 1.00 51.30 H new ATOM 0 HB2 MET A 18 7.649 0.170 -6.267 1.00 73.21 H new ATOM 0 HB3 MET A 18 6.985 1.786 -6.123 1.00 73.21 H new ATOM 0 HG2 MET A 18 9.844 1.143 -5.352 1.00 2.23 H new ATOM 0 HG3 MET A 18 9.392 1.562 -6.992 1.00 2.23 H new ATOM 0 HE1 MET A 18 8.695 5.278 -6.965 1.00 62.34 H new ATOM 0 HE2 MET A 18 9.380 3.901 -7.859 1.00 62.34 H new ATOM 0 HE3 MET A 18 7.685 3.856 -7.318 1.00 62.34 H new ATOM 255 N ARG A 19 5.027 0.580 -3.923 1.00 73.44 N ATOM 256 CA ARG A 19 3.775 -0.156 -3.792 1.00 11.04 C ATOM 257 C ARG A 19 3.286 -0.645 -5.152 1.00 31.12 C ATOM 258 O ARG A 19 3.203 0.126 -6.108 1.00 0.30 O ATOM 259 CB ARG A 19 2.707 0.725 -3.140 1.00 61.15 C ATOM 260 CG ARG A 19 1.338 0.070 -3.069 1.00 34.53 C ATOM 261 CD ARG A 19 1.248 -0.908 -1.908 1.00 21.34 C ATOM 262 NE ARG A 19 0.752 -0.270 -0.691 1.00 72.04 N ATOM 263 CZ ARG A 19 0.518 -0.926 0.440 1.00 53.12 C ATOM 264 NH1 ARG A 19 0.734 -2.232 0.510 1.00 63.13 N ATOM 265 NH2 ARG A 19 0.066 -0.275 1.504 1.00 4.14 N ATOM 0 H ARG A 19 4.931 1.593 -3.848 1.00 73.44 H new ATOM 0 HA ARG A 19 3.957 -1.024 -3.158 1.00 11.04 H new ATOM 0 HB2 ARG A 19 3.029 0.985 -2.132 1.00 61.15 H new ATOM 0 HB3 ARG A 19 2.626 1.657 -3.699 1.00 61.15 H new ATOM 0 HG2 ARG A 19 0.572 0.837 -2.960 1.00 34.53 H new ATOM 0 HG3 ARG A 19 1.135 -0.453 -4.003 1.00 34.53 H new ATOM 0 HD2 ARG A 19 0.589 -1.733 -2.179 1.00 21.34 H new ATOM 0 HD3 ARG A 19 2.232 -1.336 -1.718 1.00 21.34 H new ATOM 0 HE ARG A 19 0.576 0.734 -0.711 1.00 72.04 H new ATOM 0 HH11 ARG A 19 1.081 -2.736 -0.306 1.00 63.13 H new ATOM 0 HH12 ARG A 19 0.553 -2.733 1.380 1.00 63.13 H new ATOM 0 HH21 ARG A 19 -0.102 0.730 1.454 1.00 4.14 H new ATOM 0 HH22 ARG A 19 -0.114 -0.779 2.372 1.00 4.14 H new ATOM 279 N CYS A 20 2.964 -1.932 -5.231 1.00 53.22 N ATOM 280 CA CYS A 20 2.484 -2.525 -6.473 1.00 60.34 C ATOM 281 C CYS A 20 1.048 -2.098 -6.761 1.00 35.30 C ATOM 282 O CYS A 20 0.296 -1.714 -5.864 1.00 63.33 O ATOM 283 CB CYS A 20 2.569 -4.051 -6.400 1.00 63.13 C ATOM 284 SG CYS A 20 4.126 -4.676 -5.690 1.00 1.33 S ATOM 0 H CYS A 20 3.027 -2.584 -4.449 1.00 53.22 H new ATOM 0 HA CYS A 20 3.119 -2.170 -7.285 1.00 60.34 H new ATOM 0 HB2 CYS A 20 1.735 -4.423 -5.804 1.00 63.13 H new ATOM 0 HB3 CYS A 20 2.450 -4.459 -7.404 1.00 63.13 H new ATOM 289 N PRO A 21 0.655 -2.167 -8.042 1.00 3.42 N ATOM 290 CA PRO A 21 -0.693 -1.792 -8.478 1.00 33.22 C ATOM 291 C PRO A 21 -1.752 -2.779 -7.999 1.00 33.23 C ATOM 292 O PRO A 21 -1.431 -3.815 -7.416 1.00 51.53 O ATOM 293 CB PRO A 21 -0.592 -1.816 -10.005 1.00 21.21 C ATOM 294 CG PRO A 21 0.520 -2.764 -10.296 1.00 3.21 C ATOM 295 CD PRO A 21 1.498 -2.615 -9.163 1.00 71.11 C ATOM 0 HA PRO A 21 -0.999 -0.827 -8.073 1.00 33.22 H new ATOM 0 HB2 PRO A 21 -1.525 -2.150 -10.458 1.00 21.21 H new ATOM 0 HB3 PRO A 21 -0.381 -0.824 -10.403 1.00 21.21 H new ATOM 0 HG2 PRO A 21 0.153 -3.788 -10.362 1.00 3.21 H new ATOM 0 HG3 PRO A 21 0.991 -2.532 -11.251 1.00 3.21 H new ATOM 0 HD2 PRO A 21 1.999 -3.557 -8.938 1.00 71.11 H new ATOM 0 HD3 PRO A 21 2.276 -1.888 -9.396 1.00 71.11 H new ATOM 303 N ALA A 22 -3.016 -2.452 -8.248 1.00 41.41 N ATOM 304 CA ALA A 22 -4.122 -3.311 -7.844 1.00 41.23 C ATOM 305 C ALA A 22 -4.248 -4.515 -8.771 1.00 72.21 C ATOM 306 O ALA A 22 -5.316 -4.774 -9.326 1.00 43.41 O ATOM 307 CB ALA A 22 -5.422 -2.521 -7.821 1.00 74.43 C ATOM 0 H ALA A 22 -3.299 -1.598 -8.728 1.00 41.41 H new ATOM 0 HA ALA A 22 -3.916 -3.679 -6.839 1.00 41.23 H new ATOM 0 HB1 ALA A 22 -6.240 -3.175 -7.518 1.00 74.43 H new ATOM 0 HB2 ALA A 22 -5.334 -1.697 -7.113 1.00 74.43 H new ATOM 0 HB3 ALA A 22 -5.624 -2.125 -8.816 1.00 74.43 H new ATOM 313 N MET A 23 -3.152 -5.248 -8.934 1.00 45.03 N ATOM 314 CA MET A 23 -3.141 -6.426 -9.794 1.00 41.32 C ATOM 315 C MET A 23 -2.031 -7.388 -9.384 1.00 64.13 C ATOM 316 O MET A 23 -2.218 -8.605 -9.386 1.00 12.22 O ATOM 317 CB MET A 23 -2.961 -6.014 -11.257 1.00 21.24 C ATOM 318 CG MET A 23 -1.872 -4.974 -11.466 1.00 33.13 C ATOM 319 SD MET A 23 -1.599 -4.595 -13.207 1.00 52.31 S ATOM 320 CE MET A 23 -0.303 -5.764 -13.609 1.00 41.50 C ATOM 0 H MET A 23 -2.260 -5.047 -8.482 1.00 45.03 H new ATOM 0 HA MET A 23 -4.098 -6.935 -9.683 1.00 41.32 H new ATOM 0 HB2 MET A 23 -2.726 -6.899 -11.849 1.00 21.24 H new ATOM 0 HB3 MET A 23 -3.905 -5.620 -11.634 1.00 21.24 H new ATOM 0 HG2 MET A 23 -2.142 -4.060 -10.937 1.00 33.13 H new ATOM 0 HG3 MET A 23 -0.942 -5.334 -11.026 1.00 33.13 H new ATOM 0 HE1 MET A 23 -0.024 -5.652 -14.657 1.00 41.50 H new ATOM 0 HE2 MET A 23 0.567 -5.574 -12.980 1.00 41.50 H new ATOM 0 HE3 MET A 23 -0.661 -6.779 -13.435 1.00 41.50 H new ATOM 330 N VAL A 24 -0.874 -6.835 -9.034 1.00 23.21 N ATOM 331 CA VAL A 24 0.266 -7.645 -8.621 1.00 5.21 C ATOM 332 C VAL A 24 0.106 -8.128 -7.184 1.00 34.10 C ATOM 333 O VAL A 24 -0.460 -7.430 -6.343 1.00 50.12 O ATOM 334 CB VAL A 24 1.586 -6.859 -8.742 1.00 72.31 C ATOM 335 CG1 VAL A 24 2.708 -7.584 -8.015 1.00 32.33 C ATOM 336 CG2 VAL A 24 1.942 -6.639 -10.205 1.00 21.54 C ATOM 0 H VAL A 24 -0.701 -5.830 -9.028 1.00 23.21 H new ATOM 0 HA VAL A 24 0.301 -8.506 -9.289 1.00 5.21 H new ATOM 0 HB VAL A 24 1.453 -5.884 -8.273 1.00 72.31 H new ATOM 0 HG11 VAL A 24 3.632 -7.014 -8.112 1.00 32.33 H new ATOM 0 HG12 VAL A 24 2.452 -7.685 -6.960 1.00 32.33 H new ATOM 0 HG13 VAL A 24 2.845 -8.573 -8.452 1.00 32.33 H new ATOM 0 HG21 VAL A 24 2.877 -6.082 -10.272 1.00 21.54 H new ATOM 0 HG22 VAL A 24 2.057 -7.603 -10.700 1.00 21.54 H new ATOM 0 HG23 VAL A 24 1.147 -6.074 -10.692 1.00 21.54 H new ATOM 346 N ALA A 25 0.608 -9.328 -6.909 1.00 54.43 N ATOM 347 CA ALA A 25 0.522 -9.904 -5.573 1.00 50.21 C ATOM 348 C ALA A 25 1.760 -10.735 -5.253 1.00 40.42 C ATOM 349 O ALA A 25 1.722 -11.619 -4.398 1.00 32.24 O ATOM 350 CB ALA A 25 -0.734 -10.753 -5.444 1.00 62.00 C ATOM 0 H ALA A 25 1.078 -9.920 -7.594 1.00 54.43 H new ATOM 0 HA ALA A 25 0.470 -9.086 -4.854 1.00 50.21 H new ATOM 0 HB1 ALA A 25 -0.785 -11.177 -4.441 1.00 62.00 H new ATOM 0 HB2 ALA A 25 -1.612 -10.132 -5.621 1.00 62.00 H new ATOM 0 HB3 ALA A 25 -0.705 -11.559 -6.177 1.00 62.00 H new ATOM 356 N TYR A 26 2.856 -10.445 -5.946 1.00 31.23 N ATOM 357 CA TYR A 26 4.105 -11.168 -5.737 1.00 71.23 C ATOM 358 C TYR A 26 5.298 -10.339 -6.201 1.00 4.41 C ATOM 359 O TYR A 26 5.191 -9.541 -7.132 1.00 51.55 O ATOM 360 CB TYR A 26 4.077 -12.503 -6.484 1.00 14.02 C ATOM 361 CG TYR A 26 3.315 -13.588 -5.756 1.00 51.42 C ATOM 362 CD1 TYR A 26 3.894 -14.284 -4.703 1.00 24.01 C ATOM 363 CD2 TYR A 26 2.015 -13.915 -6.122 1.00 31.34 C ATOM 364 CE1 TYR A 26 3.202 -15.276 -4.036 1.00 24.31 C ATOM 365 CE2 TYR A 26 1.315 -14.905 -5.459 1.00 73.13 C ATOM 366 CZ TYR A 26 1.913 -15.583 -4.418 1.00 11.04 C ATOM 367 OH TYR A 26 1.220 -16.570 -3.755 1.00 13.22 O ATOM 0 H TYR A 26 2.905 -9.715 -6.657 1.00 31.23 H new ATOM 0 HA TYR A 26 4.211 -11.358 -4.669 1.00 71.23 H new ATOM 0 HB2 TYR A 26 3.628 -12.351 -7.466 1.00 14.02 H new ATOM 0 HB3 TYR A 26 5.101 -12.838 -6.650 1.00 14.02 H new ATOM 0 HD1 TYR A 26 4.903 -14.045 -4.400 1.00 24.01 H new ATOM 0 HD2 TYR A 26 1.544 -13.387 -6.938 1.00 31.34 H new ATOM 0 HE1 TYR A 26 3.668 -15.808 -3.220 1.00 24.31 H new ATOM 0 HE2 TYR A 26 0.305 -15.146 -5.755 1.00 73.13 H new ATOM 0 HH TYR A 26 0.326 -16.661 -4.146 1.00 13.22 H new ATOM 377 N CYS A 27 6.437 -10.534 -5.544 1.00 50.21 N ATOM 378 CA CYS A 27 7.653 -9.805 -5.887 1.00 35.53 C ATOM 379 C CYS A 27 8.629 -10.702 -6.642 1.00 25.44 C ATOM 380 O CYS A 27 8.966 -11.794 -6.184 1.00 70.11 O ATOM 381 CB CYS A 27 8.318 -9.259 -4.622 1.00 50.42 C ATOM 382 SG CYS A 27 7.151 -8.560 -3.411 1.00 12.14 S ATOM 0 H CYS A 27 6.543 -11.191 -4.771 1.00 50.21 H new ATOM 0 HA CYS A 27 7.378 -8.972 -6.534 1.00 35.53 H new ATOM 0 HB2 CYS A 27 8.882 -10.061 -4.146 1.00 50.42 H new ATOM 0 HB3 CYS A 27 9.036 -8.489 -4.905 1.00 50.42 H new ATOM 387 N MET A 28 9.081 -10.233 -7.800 1.00 52.11 N ATOM 388 CA MET A 28 10.020 -10.992 -8.618 1.00 3.42 C ATOM 389 C MET A 28 11.413 -10.372 -8.562 1.00 50.13 C ATOM 390 O MET A 28 11.560 -9.149 -8.556 1.00 65.25 O ATOM 391 CB MET A 28 9.534 -11.053 -10.067 1.00 40.00 C ATOM 392 CG MET A 28 10.515 -11.733 -11.009 1.00 13.32 C ATOM 393 SD MET A 28 10.044 -11.565 -12.741 1.00 74.42 S ATOM 394 CE MET A 28 11.311 -12.553 -13.533 1.00 51.55 C ATOM 0 H MET A 28 8.812 -9.331 -8.193 1.00 52.11 H new ATOM 0 HA MET A 28 10.076 -12.005 -8.219 1.00 3.42 H new ATOM 0 HB2 MET A 28 8.583 -11.584 -10.101 1.00 40.00 H new ATOM 0 HB3 MET A 28 9.346 -10.040 -10.421 1.00 40.00 H new ATOM 0 HG2 MET A 28 11.508 -11.307 -10.863 1.00 13.32 H new ATOM 0 HG3 MET A 28 10.582 -12.791 -10.756 1.00 13.32 H new ATOM 0 HE1 MET A 28 11.833 -11.949 -14.275 1.00 51.55 H new ATOM 0 HE2 MET A 28 12.022 -12.902 -12.784 1.00 51.55 H new ATOM 0 HE3 MET A 28 10.850 -13.411 -14.023 1.00 51.55 H new ATOM 404 N THR A 29 12.434 -11.223 -8.521 1.00 54.12 N ATOM 405 CA THR A 29 13.814 -10.759 -8.465 1.00 11.14 C ATOM 406 C THR A 29 14.742 -11.699 -9.226 1.00 13.04 C ATOM 407 O THR A 29 14.909 -12.861 -8.852 1.00 51.43 O ATOM 408 CB THR A 29 14.306 -10.636 -7.010 1.00 62.32 C ATOM 409 OG1 THR A 29 13.407 -9.816 -6.256 1.00 42.31 O ATOM 410 CG2 THR A 29 15.706 -10.042 -6.961 1.00 33.11 C ATOM 0 H THR A 29 12.330 -12.238 -8.526 1.00 54.12 H new ATOM 0 HA THR A 29 13.836 -9.775 -8.933 1.00 11.14 H new ATOM 0 HB THR A 29 14.337 -11.635 -6.574 1.00 62.32 H new ATOM 0 HG1 THR A 29 12.809 -10.386 -5.729 1.00 42.31 H new ATOM 0 HG21 THR A 29 16.032 -9.965 -5.924 1.00 33.11 H new ATOM 0 HG22 THR A 29 16.393 -10.685 -7.511 1.00 33.11 H new ATOM 0 HG23 THR A 29 15.697 -9.050 -7.413 1.00 33.11 H new ATOM 418 N THR A 30 15.345 -11.190 -10.296 1.00 33.04 N ATOM 419 CA THR A 30 16.256 -11.985 -11.110 1.00 13.53 C ATOM 420 C THR A 30 17.698 -11.527 -10.926 1.00 63.30 C ATOM 421 O THR A 30 18.094 -10.474 -11.426 1.00 62.55 O ATOM 422 CB THR A 30 15.890 -11.904 -12.604 1.00 11.42 C ATOM 423 OG1 THR A 30 14.516 -12.259 -12.792 1.00 35.24 O ATOM 424 CG2 THR A 30 16.775 -12.826 -13.428 1.00 72.14 C ATOM 0 H THR A 30 15.219 -10.231 -10.619 1.00 33.04 H new ATOM 0 HA THR A 30 16.160 -13.018 -10.776 1.00 13.53 H new ATOM 0 HB THR A 30 16.048 -10.879 -12.939 1.00 11.42 H new ATOM 0 HG1 THR A 30 14.410 -13.227 -12.680 1.00 35.24 H new ATOM 0 HG21 THR A 30 16.498 -12.752 -14.480 1.00 72.14 H new ATOM 0 HG22 THR A 30 17.818 -12.534 -13.306 1.00 72.14 H new ATOM 0 HG23 THR A 30 16.644 -13.854 -13.090 1.00 72.14 H new ATOM 432 N ARG A 31 18.480 -12.325 -10.206 1.00 70.30 N ATOM 433 CA ARG A 31 19.879 -12.002 -9.956 1.00 43.42 C ATOM 434 C ARG A 31 20.791 -12.745 -10.928 1.00 22.02 C ATOM 435 O ARG A 31 20.992 -13.954 -10.807 1.00 23.01 O ATOM 436 CB ARG A 31 20.257 -12.352 -8.516 1.00 32.52 C ATOM 437 CG ARG A 31 19.729 -13.703 -8.060 1.00 11.24 C ATOM 438 CD ARG A 31 18.400 -13.565 -7.332 1.00 44.15 C ATOM 439 NE ARG A 31 18.494 -12.664 -6.187 1.00 44.20 N ATOM 440 CZ ARG A 31 18.948 -13.035 -4.995 1.00 34.30 C ATOM 441 NH1 ARG A 31 19.347 -14.284 -4.793 1.00 53.53 N ATOM 442 NH2 ARG A 31 19.003 -12.157 -4.002 1.00 31.33 N ATOM 0 H ARG A 31 18.168 -13.200 -9.786 1.00 70.30 H new ATOM 0 HA ARG A 31 20.011 -10.931 -10.108 1.00 43.42 H new ATOM 0 HB2 ARG A 31 21.343 -12.345 -8.422 1.00 32.52 H new ATOM 0 HB3 ARG A 31 19.875 -11.578 -7.850 1.00 32.52 H new ATOM 0 HG2 ARG A 31 19.606 -14.357 -8.923 1.00 11.24 H new ATOM 0 HG3 ARG A 31 20.458 -14.177 -7.402 1.00 11.24 H new ATOM 0 HD2 ARG A 31 17.644 -13.194 -8.024 1.00 44.15 H new ATOM 0 HD3 ARG A 31 18.068 -14.547 -6.994 1.00 44.15 H new ATOM 0 HE ARG A 31 18.195 -11.697 -6.309 1.00 44.20 H new ATOM 0 HH11 ARG A 31 19.306 -14.962 -5.554 1.00 53.53 H new ATOM 0 HH12 ARG A 31 19.695 -14.566 -3.877 1.00 53.53 H new ATOM 0 HH21 ARG A 31 18.696 -11.196 -4.153 1.00 31.33 H new ATOM 0 HH22 ARG A 31 19.352 -12.443 -3.087 1.00 31.33 H new ATOM 456 N THR A 32 21.341 -12.014 -11.893 1.00 20.04 N ATOM 457 CA THR A 32 22.230 -12.604 -12.886 1.00 12.50 C ATOM 458 C THR A 32 23.690 -12.444 -12.480 1.00 65.32 C ATOM 459 O THR A 32 24.036 -11.551 -11.706 1.00 61.41 O ATOM 460 CB THR A 32 22.022 -11.968 -14.273 1.00 50.45 C ATOM 461 OG1 THR A 32 20.623 -11.842 -14.550 1.00 73.23 O ATOM 462 CG2 THR A 32 22.686 -12.804 -15.357 1.00 35.20 C ATOM 0 H THR A 32 21.186 -11.012 -12.008 1.00 20.04 H new ATOM 0 HA THR A 32 21.985 -13.665 -12.940 1.00 12.50 H new ATOM 0 HB THR A 32 22.481 -10.979 -14.267 1.00 50.45 H new ATOM 0 HG1 THR A 32 20.143 -12.602 -14.160 1.00 73.23 H new ATOM 0 HG21 THR A 32 22.526 -12.335 -16.328 1.00 35.20 H new ATOM 0 HG22 THR A 32 23.756 -12.873 -15.160 1.00 35.20 H new ATOM 0 HG23 THR A 32 22.253 -13.804 -15.361 1.00 35.20 H new ATOM 470 N TYR A 33 24.544 -13.315 -13.008 1.00 2.34 N ATOM 471 CA TYR A 33 25.968 -13.271 -12.699 1.00 25.45 C ATOM 472 C TYR A 33 26.805 -13.400 -13.968 1.00 5.34 C ATOM 473 O TYR A 33 26.994 -14.498 -14.492 1.00 50.52 O ATOM 474 CB TYR A 33 26.333 -14.388 -11.719 1.00 2.34 C ATOM 475 CG TYR A 33 25.304 -14.600 -10.632 1.00 14.22 C ATOM 476 CD1 TYR A 33 24.964 -13.573 -9.760 1.00 14.50 C ATOM 477 CD2 TYR A 33 24.672 -15.827 -10.476 1.00 33.21 C ATOM 478 CE1 TYR A 33 24.024 -13.762 -8.765 1.00 40.30 C ATOM 479 CE2 TYR A 33 23.730 -16.025 -9.485 1.00 11.02 C ATOM 480 CZ TYR A 33 23.410 -14.989 -8.632 1.00 33.42 C ATOM 481 OH TYR A 33 22.473 -15.183 -7.642 1.00 41.14 O ATOM 0 H TYR A 33 24.275 -14.059 -13.651 1.00 2.34 H new ATOM 0 HA TYR A 33 26.184 -12.307 -12.239 1.00 25.45 H new ATOM 0 HB2 TYR A 33 26.461 -15.318 -12.273 1.00 2.34 H new ATOM 0 HB3 TYR A 33 27.293 -14.156 -11.258 1.00 2.34 H new ATOM 0 HD1 TYR A 33 25.443 -12.610 -9.862 1.00 14.50 H new ATOM 0 HD2 TYR A 33 24.921 -16.641 -11.141 1.00 33.21 H new ATOM 0 HE1 TYR A 33 23.772 -12.953 -8.095 1.00 40.30 H new ATOM 0 HE2 TYR A 33 23.247 -16.985 -9.379 1.00 11.02 H new ATOM 0 HH TYR A 33 22.136 -16.102 -7.686 1.00 41.14 H new ATOM 491 N TYR A 34 27.306 -12.270 -14.455 1.00 55.21 N ATOM 492 CA TYR A 34 28.121 -12.254 -15.663 1.00 43.25 C ATOM 493 C TYR A 34 29.582 -12.550 -15.339 1.00 22.24 C ATOM 494 O TYR A 34 30.107 -13.609 -15.687 1.00 15.30 O ATOM 495 CB TYR A 34 28.008 -10.898 -16.363 1.00 33.13 C ATOM 496 CG TYR A 34 26.741 -10.739 -17.173 1.00 62.02 C ATOM 497 CD1 TYR A 34 25.516 -10.532 -16.551 1.00 23.03 C ATOM 498 CD2 TYR A 34 26.769 -10.797 -18.561 1.00 41.31 C ATOM 499 CE1 TYR A 34 24.356 -10.387 -17.287 1.00 3.11 C ATOM 500 CE2 TYR A 34 25.614 -10.651 -19.305 1.00 65.13 C ATOM 501 CZ TYR A 34 24.411 -10.447 -18.664 1.00 13.32 C ATOM 502 OH TYR A 34 23.258 -10.303 -19.402 1.00 1.44 O ATOM 0 H TYR A 34 27.162 -11.353 -14.031 1.00 55.21 H new ATOM 0 HA TYR A 34 27.750 -13.032 -16.330 1.00 43.25 H new ATOM 0 HB2 TYR A 34 28.052 -10.107 -15.614 1.00 33.13 H new ATOM 0 HB3 TYR A 34 28.868 -10.764 -17.019 1.00 33.13 H new ATOM 0 HD1 TYR A 34 25.470 -10.484 -15.473 1.00 23.03 H new ATOM 0 HD2 TYR A 34 27.709 -10.959 -19.067 1.00 41.31 H new ATOM 0 HE1 TYR A 34 23.412 -10.228 -16.787 1.00 3.11 H new ATOM 0 HE2 TYR A 34 25.654 -10.696 -20.383 1.00 65.13 H new ATOM 0 HH TYR A 34 23.470 -10.369 -20.356 1.00 1.44 H new ATOM 512 N THR A 35 30.236 -11.607 -14.667 1.00 55.11 N ATOM 513 CA THR A 35 31.636 -11.765 -14.295 1.00 14.45 C ATOM 514 C THR A 35 31.797 -11.837 -12.780 1.00 51.14 C ATOM 515 O THR A 35 30.923 -11.423 -12.018 1.00 51.14 O ATOM 516 CB THR A 35 32.495 -10.607 -14.836 1.00 40.32 C ATOM 517 OG1 THR A 35 32.576 -9.560 -13.863 1.00 1.33 O ATOM 518 CG2 THR A 35 31.912 -10.059 -16.130 1.00 74.10 C ATOM 0 H THR A 35 29.818 -10.726 -14.369 1.00 55.11 H new ATOM 0 HA THR A 35 31.978 -12.700 -14.739 1.00 14.45 H new ATOM 0 HB THR A 35 33.495 -10.991 -15.040 1.00 40.32 H new ATOM 0 HG1 THR A 35 33.125 -8.829 -14.215 1.00 1.33 H new ATOM 0 HG21 THR A 35 32.536 -9.242 -16.493 1.00 74.10 H new ATOM 0 HG22 THR A 35 31.879 -10.851 -16.878 1.00 74.10 H new ATOM 0 HG23 THR A 35 30.902 -9.691 -15.947 1.00 74.10 H new ATOM 526 N PRO A 36 32.941 -12.374 -12.331 1.00 72.33 N ATOM 527 CA PRO A 36 33.244 -12.512 -10.904 1.00 32.13 C ATOM 528 C PRO A 36 33.498 -11.167 -10.233 1.00 10.44 C ATOM 529 O PRO A 36 33.676 -11.091 -9.016 1.00 63.03 O ATOM 530 CB PRO A 36 34.515 -13.364 -10.892 1.00 22.44 C ATOM 531 CG PRO A 36 35.154 -13.110 -12.213 1.00 4.01 C ATOM 532 CD PRO A 36 34.027 -12.888 -13.183 1.00 33.43 C ATOM 0 HA PRO A 36 32.414 -12.953 -10.352 1.00 32.13 H new ATOM 0 HB2 PRO A 36 35.174 -13.080 -10.072 1.00 22.44 H new ATOM 0 HB3 PRO A 36 34.282 -14.421 -10.762 1.00 22.44 H new ATOM 0 HG2 PRO A 36 35.808 -12.239 -12.169 1.00 4.01 H new ATOM 0 HG3 PRO A 36 35.770 -13.956 -12.518 1.00 4.01 H new ATOM 0 HD2 PRO A 36 34.300 -12.174 -13.960 1.00 33.43 H new ATOM 0 HD3 PRO A 36 33.741 -13.812 -13.685 1.00 33.43 H new ATOM 540 N THR A 37 33.513 -10.105 -11.032 1.00 41.25 N ATOM 541 CA THR A 37 33.746 -8.762 -10.516 1.00 22.10 C ATOM 542 C THR A 37 32.597 -7.828 -10.876 1.00 12.55 C ATOM 543 O THR A 37 32.573 -6.669 -10.460 1.00 1.02 O ATOM 544 CB THR A 37 35.062 -8.172 -11.058 1.00 55.14 C ATOM 545 OG1 THR A 37 35.168 -8.422 -12.464 1.00 74.14 O ATOM 546 CG2 THR A 37 36.261 -8.771 -10.340 1.00 33.54 C ATOM 0 H THR A 37 33.366 -10.149 -12.040 1.00 41.25 H new ATOM 0 HA THR A 37 33.815 -8.848 -9.432 1.00 22.10 H new ATOM 0 HB THR A 37 35.052 -7.097 -10.880 1.00 55.14 H new ATOM 0 HG1 THR A 37 36.006 -8.043 -12.801 1.00 74.14 H new ATOM 0 HG21 THR A 37 37.178 -8.339 -10.740 1.00 33.54 H new ATOM 0 HG22 THR A 37 36.193 -8.554 -9.274 1.00 33.54 H new ATOM 0 HG23 THR A 37 36.273 -9.851 -10.490 1.00 33.54 H new ATOM 554 N ARG A 38 31.645 -8.338 -11.650 1.00 31.44 N ATOM 555 CA ARG A 38 30.492 -7.548 -12.065 1.00 63.43 C ATOM 556 C ARG A 38 29.243 -8.419 -12.162 1.00 51.03 C ATOM 557 O ARG A 38 29.270 -9.497 -12.755 1.00 25.44 O ATOM 558 CB ARG A 38 30.766 -6.878 -13.413 1.00 32.10 C ATOM 559 CG ARG A 38 31.375 -5.491 -13.291 1.00 14.12 C ATOM 560 CD ARG A 38 30.302 -4.423 -13.143 1.00 2.12 C ATOM 561 NE ARG A 38 30.773 -3.110 -13.577 1.00 22.40 N ATOM 562 CZ ARG A 38 30.818 -2.729 -14.849 1.00 31.52 C ATOM 563 NH1 ARG A 38 30.422 -3.557 -15.806 1.00 52.53 N ATOM 564 NH2 ARG A 38 31.259 -1.519 -15.165 1.00 2.42 N ATOM 0 H ARG A 38 31.649 -9.295 -12.003 1.00 31.44 H new ATOM 0 HA ARG A 38 30.319 -6.779 -11.312 1.00 63.43 H new ATOM 0 HB2 ARG A 38 31.437 -7.511 -13.994 1.00 32.10 H new ATOM 0 HB3 ARG A 38 29.832 -6.808 -13.971 1.00 32.10 H new ATOM 0 HG2 ARG A 38 32.042 -5.460 -12.430 1.00 14.12 H new ATOM 0 HG3 ARG A 38 31.981 -5.280 -14.172 1.00 14.12 H new ATOM 0 HD2 ARG A 38 29.426 -4.705 -13.727 1.00 2.12 H new ATOM 0 HD3 ARG A 38 29.986 -4.369 -12.101 1.00 2.12 H new ATOM 0 HE ARG A 38 31.084 -2.450 -12.865 1.00 22.40 H new ATOM 0 HH11 ARG A 38 30.082 -4.488 -15.566 1.00 52.53 H new ATOM 0 HH12 ARG A 38 30.457 -3.263 -16.782 1.00 52.53 H new ATOM 0 HH21 ARG A 38 31.564 -0.880 -14.431 1.00 2.42 H new ATOM 0 HH22 ARG A 38 31.293 -1.228 -16.142 1.00 2.42 H new ATOM 578 N MET A 39 28.149 -7.943 -11.576 1.00 42.01 N ATOM 579 CA MET A 39 26.890 -8.678 -11.597 1.00 52.14 C ATOM 580 C MET A 39 25.726 -7.752 -11.935 1.00 53.14 C ATOM 581 O MET A 39 25.906 -6.545 -12.100 1.00 22.10 O ATOM 582 CB MET A 39 26.645 -9.352 -10.246 1.00 11.41 C ATOM 583 CG MET A 39 26.742 -8.399 -9.065 1.00 42.14 C ATOM 584 SD MET A 39 28.408 -8.308 -8.381 1.00 60.53 S ATOM 585 CE MET A 39 28.427 -9.768 -7.343 1.00 44.12 C ATOM 0 H MET A 39 28.109 -7.052 -11.081 1.00 42.01 H new ATOM 0 HA MET A 39 26.958 -9.444 -12.369 1.00 52.14 H new ATOM 0 HB2 MET A 39 25.656 -9.811 -10.252 1.00 11.41 H new ATOM 0 HB3 MET A 39 27.369 -10.156 -10.114 1.00 11.41 H new ATOM 0 HG2 MET A 39 26.428 -7.404 -9.379 1.00 42.14 H new ATOM 0 HG3 MET A 39 26.051 -8.720 -8.286 1.00 42.14 H new ATOM 0 HE1 MET A 39 29.395 -9.851 -6.850 1.00 44.12 H new ATOM 0 HE2 MET A 39 27.642 -9.690 -6.591 1.00 44.12 H new ATOM 0 HE3 MET A 39 28.255 -10.653 -7.956 1.00 44.12 H new ATOM 595 N LYS A 40 24.531 -8.324 -12.038 1.00 71.11 N ATOM 596 CA LYS A 40 23.336 -7.551 -12.356 1.00 4.44 C ATOM 597 C LYS A 40 22.135 -8.056 -11.563 1.00 53.43 C ATOM 598 O LYS A 40 22.001 -9.254 -11.316 1.00 74.12 O ATOM 599 CB LYS A 40 23.040 -7.625 -13.855 1.00 55.41 C ATOM 600 CG LYS A 40 24.213 -7.214 -14.728 1.00 55.13 C ATOM 601 CD LYS A 40 23.745 -6.621 -16.047 1.00 3.42 C ATOM 602 CE LYS A 40 24.864 -5.863 -16.745 1.00 4.02 C ATOM 603 NZ LYS A 40 25.734 -6.770 -17.543 1.00 63.25 N ATOM 0 H LYS A 40 24.364 -9.322 -11.906 1.00 71.11 H new ATOM 0 HA LYS A 40 23.520 -6.513 -12.080 1.00 4.44 H new ATOM 0 HB2 LYS A 40 22.748 -8.644 -14.109 1.00 55.41 H new ATOM 0 HB3 LYS A 40 22.188 -6.984 -14.081 1.00 55.41 H new ATOM 0 HG2 LYS A 40 24.825 -6.485 -14.197 1.00 55.13 H new ATOM 0 HG3 LYS A 40 24.845 -8.081 -14.921 1.00 55.13 H new ATOM 0 HD2 LYS A 40 23.383 -7.417 -16.697 1.00 3.42 H new ATOM 0 HD3 LYS A 40 22.906 -5.949 -15.868 1.00 3.42 H new ATOM 0 HE2 LYS A 40 24.435 -5.103 -17.398 1.00 4.02 H new ATOM 0 HE3 LYS A 40 25.468 -5.341 -16.002 1.00 4.02 H new ATOM 0 HZ1 LYS A 40 26.484 -6.216 -18.003 1.00 63.25 H new ATOM 0 HZ2 LYS A 40 26.163 -7.480 -16.916 1.00 63.25 H new ATOM 0 HZ3 LYS A 40 25.163 -7.249 -18.268 1.00 63.25 H new ATOM 617 N VAL A 41 21.262 -7.134 -11.169 1.00 1.25 N ATOM 618 CA VAL A 41 20.070 -7.486 -10.407 1.00 20.15 C ATOM 619 C VAL A 41 18.842 -6.757 -10.940 1.00 33.43 C ATOM 620 O VAL A 41 18.923 -5.599 -11.347 1.00 52.33 O ATOM 621 CB VAL A 41 20.241 -7.155 -8.912 1.00 62.30 C ATOM 622 CG1 VAL A 41 20.624 -5.695 -8.729 1.00 1.43 C ATOM 623 CG2 VAL A 41 18.968 -7.482 -8.145 1.00 44.54 C ATOM 0 H VAL A 41 21.358 -6.138 -11.365 1.00 1.25 H new ATOM 0 HA VAL A 41 19.929 -8.561 -10.520 1.00 20.15 H new ATOM 0 HB VAL A 41 21.047 -7.770 -8.511 1.00 62.30 H new ATOM 0 HG11 VAL A 41 20.740 -5.480 -7.667 1.00 1.43 H new ATOM 0 HG12 VAL A 41 21.564 -5.498 -9.244 1.00 1.43 H new ATOM 0 HG13 VAL A 41 19.842 -5.059 -9.145 1.00 1.43 H new ATOM 0 HG21 VAL A 41 19.107 -7.242 -7.091 1.00 44.54 H new ATOM 0 HG22 VAL A 41 18.141 -6.895 -8.545 1.00 44.54 H new ATOM 0 HG23 VAL A 41 18.743 -8.543 -8.249 1.00 44.54 H new ATOM 633 N SER A 42 17.704 -7.444 -10.933 1.00 72.34 N ATOM 634 CA SER A 42 16.458 -6.864 -11.420 1.00 14.33 C ATOM 635 C SER A 42 15.301 -7.195 -10.481 1.00 4.41 C ATOM 636 O SER A 42 15.121 -8.345 -10.080 1.00 11.30 O ATOM 637 CB SER A 42 16.148 -7.374 -12.828 1.00 70.22 C ATOM 638 OG SER A 42 16.670 -8.677 -13.025 1.00 5.30 O ATOM 0 H SER A 42 17.619 -8.403 -10.595 1.00 72.34 H new ATOM 0 HA SER A 42 16.579 -5.781 -11.453 1.00 14.33 H new ATOM 0 HB2 SER A 42 15.069 -7.383 -12.986 1.00 70.22 H new ATOM 0 HB3 SER A 42 16.572 -6.693 -13.566 1.00 70.22 H new ATOM 0 HG SER A 42 16.337 -9.038 -13.873 1.00 5.30 H new ATOM 644 N LYS A 43 14.520 -6.178 -10.134 1.00 0.44 N ATOM 645 CA LYS A 43 13.380 -6.358 -9.243 1.00 54.31 C ATOM 646 C LYS A 43 12.152 -5.625 -9.776 1.00 4.12 C ATOM 647 O LYS A 43 12.254 -4.502 -10.270 1.00 61.10 O ATOM 648 CB LYS A 43 13.718 -5.853 -7.839 1.00 24.14 C ATOM 649 CG LYS A 43 15.167 -6.083 -7.443 1.00 34.14 C ATOM 650 CD LYS A 43 15.477 -5.473 -6.086 1.00 44.12 C ATOM 651 CE LYS A 43 16.608 -6.213 -5.388 1.00 11.11 C ATOM 652 NZ LYS A 43 16.999 -5.552 -4.112 1.00 51.21 N ATOM 0 H LYS A 43 14.656 -5.220 -10.456 1.00 0.44 H new ATOM 0 HA LYS A 43 13.154 -7.423 -9.194 1.00 54.31 H new ATOM 0 HB2 LYS A 43 13.500 -4.787 -7.783 1.00 24.14 H new ATOM 0 HB3 LYS A 43 13.069 -6.350 -7.117 1.00 24.14 H new ATOM 0 HG2 LYS A 43 15.373 -7.153 -7.418 1.00 34.14 H new ATOM 0 HG3 LYS A 43 15.824 -5.650 -8.197 1.00 34.14 H new ATOM 0 HD2 LYS A 43 15.749 -4.425 -6.211 1.00 44.12 H new ATOM 0 HD3 LYS A 43 14.584 -5.499 -5.462 1.00 44.12 H new ATOM 0 HE2 LYS A 43 16.301 -7.239 -5.186 1.00 11.11 H new ATOM 0 HE3 LYS A 43 17.472 -6.264 -6.050 1.00 11.11 H new ATOM 0 HZ1 LYS A 43 17.847 -6.015 -3.727 1.00 51.21 H new ATOM 0 HZ2 LYS A 43 17.203 -4.548 -4.290 1.00 51.21 H new ATOM 0 HZ3 LYS A 43 16.220 -5.631 -3.427 1.00 51.21 H new ATOM 666 N SER A 44 10.993 -6.267 -9.670 1.00 43.13 N ATOM 667 CA SER A 44 9.747 -5.677 -10.144 1.00 13.43 C ATOM 668 C SER A 44 8.543 -6.386 -9.531 1.00 12.20 C ATOM 669 O SER A 44 8.676 -7.448 -8.923 1.00 24.21 O ATOM 670 CB SER A 44 9.672 -5.747 -11.670 1.00 51.21 C ATOM 671 OG SER A 44 10.118 -7.005 -12.145 1.00 60.13 O ATOM 0 H SER A 44 10.891 -7.195 -9.260 1.00 43.13 H new ATOM 0 HA SER A 44 9.728 -4.632 -9.835 1.00 13.43 H new ATOM 0 HB2 SER A 44 8.646 -5.575 -11.995 1.00 51.21 H new ATOM 0 HB3 SER A 44 10.281 -4.954 -12.104 1.00 51.21 H new ATOM 0 HG SER A 44 10.059 -7.025 -13.123 1.00 60.13 H new ATOM 677 N CYS A 45 7.366 -5.790 -9.696 1.00 25.24 N ATOM 678 CA CYS A 45 6.137 -6.362 -9.159 1.00 64.35 C ATOM 679 C CYS A 45 5.368 -7.111 -10.244 1.00 14.31 C ATOM 680 O CYS A 45 5.022 -6.542 -11.280 1.00 23.51 O ATOM 681 CB CYS A 45 5.258 -5.263 -8.560 1.00 74.42 C ATOM 682 SG CYS A 45 5.563 -4.947 -6.792 1.00 65.34 S ATOM 0 H CYS A 45 7.238 -4.911 -10.197 1.00 25.24 H new ATOM 0 HA CYS A 45 6.406 -7.069 -8.375 1.00 64.35 H new ATOM 0 HB2 CYS A 45 5.420 -4.340 -9.116 1.00 74.42 H new ATOM 0 HB3 CYS A 45 4.211 -5.536 -8.694 1.00 74.42 H new ATOM 687 N VAL A 46 5.102 -8.390 -9.997 1.00 54.44 N ATOM 688 CA VAL A 46 4.372 -9.216 -10.951 1.00 74.21 C ATOM 689 C VAL A 46 3.307 -10.053 -10.251 1.00 54.30 C ATOM 690 O VAL A 46 3.433 -10.410 -9.080 1.00 22.23 O ATOM 691 CB VAL A 46 5.320 -10.153 -11.723 1.00 33.33 C ATOM 692 CG1 VAL A 46 6.339 -9.348 -12.515 1.00 34.32 C ATOM 693 CG2 VAL A 46 6.013 -11.113 -10.768 1.00 34.53 C ATOM 0 H VAL A 46 5.381 -8.876 -9.145 1.00 54.44 H new ATOM 0 HA VAL A 46 3.892 -8.537 -11.655 1.00 74.21 H new ATOM 0 HB VAL A 46 4.730 -10.739 -12.427 1.00 33.33 H new ATOM 0 HG11 VAL A 46 7.000 -10.027 -13.054 1.00 34.32 H new ATOM 0 HG12 VAL A 46 5.821 -8.705 -13.227 1.00 34.32 H new ATOM 0 HG13 VAL A 46 6.927 -8.734 -11.833 1.00 34.32 H new ATOM 0 HG21 VAL A 46 6.679 -11.768 -11.330 1.00 34.53 H new ATOM 0 HG22 VAL A 46 6.592 -10.546 -10.039 1.00 34.53 H new ATOM 0 HG23 VAL A 46 5.265 -11.714 -10.250 1.00 34.53 H new ATOM 703 N PRO A 47 2.230 -10.374 -10.984 1.00 62.10 N ATOM 704 CA PRO A 47 1.122 -11.174 -10.454 1.00 53.32 C ATOM 705 C PRO A 47 1.517 -12.628 -10.218 1.00 54.52 C ATOM 706 O PRO A 47 1.145 -13.225 -9.208 1.00 72.43 O ATOM 707 CB PRO A 47 0.060 -11.080 -11.553 1.00 12.43 C ATOM 708 CG PRO A 47 0.828 -10.811 -12.800 1.00 41.33 C ATOM 709 CD PRO A 47 2.013 -9.982 -12.387 1.00 13.04 C ATOM 0 HA PRO A 47 0.785 -10.811 -9.483 1.00 53.32 H new ATOM 0 HB2 PRO A 47 -0.511 -12.005 -11.632 1.00 12.43 H new ATOM 0 HB3 PRO A 47 -0.653 -10.282 -11.347 1.00 12.43 H new ATOM 0 HG2 PRO A 47 1.147 -11.741 -13.270 1.00 41.33 H new ATOM 0 HG3 PRO A 47 0.215 -10.280 -13.529 1.00 41.33 H new ATOM 0 HD2 PRO A 47 2.887 -10.194 -13.003 1.00 13.04 H new ATOM 0 HD3 PRO A 47 1.809 -8.915 -12.479 1.00 13.04 H new ATOM 717 N ARG A 48 2.272 -13.190 -11.156 1.00 21.34 N ATOM 718 CA ARG A 48 2.717 -14.575 -11.049 1.00 53.33 C ATOM 719 C ARG A 48 4.201 -14.696 -11.381 1.00 3.14 C ATOM 720 O ARG A 48 4.630 -14.370 -12.488 1.00 71.10 O ATOM 721 CB ARG A 48 1.900 -15.468 -11.985 1.00 31.24 C ATOM 722 CG ARG A 48 0.643 -16.033 -11.344 1.00 12.25 C ATOM 723 CD ARG A 48 -0.215 -16.773 -12.357 1.00 71.54 C ATOM 724 NE ARG A 48 0.159 -18.181 -12.467 1.00 12.04 N ATOM 725 CZ ARG A 48 -0.114 -19.088 -11.536 1.00 33.34 C ATOM 726 NH1 ARG A 48 -0.761 -18.737 -10.432 1.00 64.25 N ATOM 727 NH2 ARG A 48 0.259 -20.350 -11.707 1.00 72.04 N ATOM 0 H ARG A 48 2.588 -12.709 -11.998 1.00 21.34 H new ATOM 0 HA ARG A 48 2.565 -14.902 -10.020 1.00 53.33 H new ATOM 0 HB2 ARG A 48 1.621 -14.894 -12.869 1.00 31.24 H new ATOM 0 HB3 ARG A 48 2.526 -16.293 -12.325 1.00 31.24 H new ATOM 0 HG2 ARG A 48 0.919 -16.710 -10.535 1.00 12.25 H new ATOM 0 HG3 ARG A 48 0.065 -15.223 -10.899 1.00 12.25 H new ATOM 0 HD2 ARG A 48 -1.263 -16.698 -12.068 1.00 71.54 H new ATOM 0 HD3 ARG A 48 -0.118 -16.295 -13.332 1.00 71.54 H new ATOM 0 HE ARG A 48 0.657 -18.484 -13.304 1.00 12.04 H new ATOM 0 HH11 ARG A 48 -1.050 -17.768 -10.297 1.00 64.25 H new ATOM 0 HH12 ARG A 48 -0.969 -19.436 -9.719 1.00 64.25 H new ATOM 0 HH21 ARG A 48 0.756 -20.625 -12.554 1.00 72.04 H new ATOM 0 HH22 ARG A 48 0.049 -21.045 -10.991 1.00 72.04 H new ATOM 741 N CYS A 49 4.982 -15.166 -10.413 1.00 75.12 N ATOM 742 CA CYS A 49 6.418 -15.330 -10.600 1.00 40.23 C ATOM 743 C CYS A 49 6.814 -16.801 -10.512 1.00 10.13 C ATOM 744 O CYS A 49 6.388 -17.516 -9.605 1.00 32.23 O ATOM 745 CB CYS A 49 7.185 -14.520 -9.554 1.00 4.25 C ATOM 746 SG CYS A 49 8.982 -14.822 -9.550 1.00 31.11 S ATOM 0 H CYS A 49 4.643 -15.440 -9.491 1.00 75.12 H new ATOM 0 HA CYS A 49 6.674 -14.962 -11.594 1.00 40.23 H new ATOM 0 HB2 CYS A 49 7.006 -13.459 -9.729 1.00 4.25 H new ATOM 0 HB3 CYS A 49 6.786 -14.752 -8.566 1.00 4.25 H new ATOM 751 N PHE A 50 7.632 -17.246 -11.460 1.00 1.33 N ATOM 752 CA PHE A 50 8.086 -18.631 -11.490 1.00 34.42 C ATOM 753 C PHE A 50 9.608 -18.704 -11.553 1.00 24.12 C ATOM 754 O PHE A 50 10.245 -17.957 -12.295 1.00 60.31 O ATOM 755 CB PHE A 50 7.479 -19.363 -12.689 1.00 12.11 C ATOM 756 CG PHE A 50 7.342 -18.500 -13.911 1.00 20.21 C ATOM 757 CD1 PHE A 50 6.228 -17.695 -14.085 1.00 43.34 C ATOM 758 CD2 PHE A 50 8.327 -18.495 -14.885 1.00 61.33 C ATOM 759 CE1 PHE A 50 6.099 -16.899 -15.208 1.00 65.45 C ATOM 760 CE2 PHE A 50 8.204 -17.702 -16.010 1.00 50.22 C ATOM 761 CZ PHE A 50 7.088 -16.904 -16.173 1.00 3.24 C ATOM 0 H PHE A 50 7.994 -16.667 -12.218 1.00 1.33 H new ATOM 0 HA PHE A 50 7.755 -19.115 -10.571 1.00 34.42 H new ATOM 0 HB2 PHE A 50 8.100 -20.225 -12.931 1.00 12.11 H new ATOM 0 HB3 PHE A 50 6.497 -19.745 -12.412 1.00 12.11 H new ATOM 0 HD1 PHE A 50 5.451 -17.689 -13.335 1.00 43.34 H new ATOM 0 HD2 PHE A 50 9.201 -19.118 -14.764 1.00 61.33 H new ATOM 0 HE1 PHE A 50 5.227 -16.274 -15.331 1.00 65.45 H new ATOM 0 HE2 PHE A 50 8.980 -17.706 -16.761 1.00 50.22 H new ATOM 0 HZ PHE A 50 6.989 -16.285 -17.053 1.00 3.24 H new ATOM 771 N GLU A 51 10.185 -19.609 -10.768 1.00 12.25 N ATOM 772 CA GLU A 51 11.633 -19.778 -10.733 1.00 53.11 C ATOM 773 C GLU A 51 12.154 -20.280 -12.076 1.00 71.34 C ATOM 774 O GLU A 51 11.380 -20.544 -12.997 1.00 73.21 O ATOM 775 CB GLU A 51 12.028 -20.754 -9.623 1.00 2.11 C ATOM 776 CG GLU A 51 12.296 -20.081 -8.287 1.00 51.54 C ATOM 777 CD GLU A 51 11.095 -19.314 -7.769 1.00 55.24 C ATOM 778 OE1 GLU A 51 9.954 -19.748 -8.037 1.00 3.14 O ATOM 779 OE2 GLU A 51 11.294 -18.280 -7.098 1.00 21.32 O ATOM 0 H GLU A 51 9.672 -20.236 -10.148 1.00 12.25 H new ATOM 0 HA GLU A 51 12.082 -18.806 -10.529 1.00 53.11 H new ATOM 0 HB2 GLU A 51 11.233 -21.489 -9.497 1.00 2.11 H new ATOM 0 HB3 GLU A 51 12.920 -21.299 -9.931 1.00 2.11 H new ATOM 0 HG2 GLU A 51 12.583 -20.836 -7.555 1.00 51.54 H new ATOM 0 HG3 GLU A 51 13.140 -19.400 -8.391 1.00 51.54 H new ATOM 786 N THR A 52 13.473 -20.410 -12.182 1.00 12.10 N ATOM 787 CA THR A 52 14.099 -20.878 -13.412 1.00 32.32 C ATOM 788 C THR A 52 13.884 -22.375 -13.603 1.00 34.33 C ATOM 789 O THR A 52 13.332 -23.049 -12.733 1.00 31.43 O ATOM 790 CB THR A 52 15.611 -20.583 -13.420 1.00 73.44 C ATOM 791 OG1 THR A 52 16.142 -20.789 -14.734 1.00 44.40 O ATOM 792 CG2 THR A 52 16.341 -21.474 -12.427 1.00 64.31 C ATOM 0 H THR A 52 14.128 -20.197 -11.430 1.00 12.10 H new ATOM 0 HA THR A 52 13.626 -20.338 -14.233 1.00 32.32 H new ATOM 0 HB THR A 52 15.758 -19.543 -13.127 1.00 73.44 H new ATOM 0 HG1 THR A 52 16.932 -21.367 -14.681 1.00 44.40 H new ATOM 0 HG21 THR A 52 17.407 -21.248 -12.450 1.00 64.31 H new ATOM 0 HG22 THR A 52 15.954 -21.294 -11.424 1.00 64.31 H new ATOM 0 HG23 THR A 52 16.186 -22.519 -12.694 1.00 64.31 H new ATOM 800 N VAL A 53 14.323 -22.891 -14.746 1.00 41.35 N ATOM 801 CA VAL A 53 14.180 -24.309 -15.051 1.00 21.43 C ATOM 802 C VAL A 53 15.452 -24.868 -15.679 1.00 51.31 C ATOM 803 O VAL A 53 15.932 -24.358 -16.692 1.00 11.11 O ATOM 804 CB VAL A 53 12.996 -24.563 -16.003 1.00 2.40 C ATOM 805 CG1 VAL A 53 13.166 -23.769 -17.290 1.00 25.34 C ATOM 806 CG2 VAL A 53 12.858 -26.049 -16.298 1.00 3.45 C ATOM 0 H VAL A 53 14.781 -22.347 -15.477 1.00 41.35 H new ATOM 0 HA VAL A 53 13.991 -24.818 -14.106 1.00 21.43 H new ATOM 0 HB VAL A 53 12.081 -24.227 -15.515 1.00 2.40 H new ATOM 0 HG11 VAL A 53 12.320 -23.961 -17.950 1.00 25.34 H new ATOM 0 HG12 VAL A 53 13.211 -22.705 -17.058 1.00 25.34 H new ATOM 0 HG13 VAL A 53 14.089 -24.072 -17.785 1.00 25.34 H new ATOM 0 HG21 VAL A 53 12.017 -26.210 -16.972 1.00 3.45 H new ATOM 0 HG22 VAL A 53 13.772 -26.414 -16.766 1.00 3.45 H new ATOM 0 HG23 VAL A 53 12.686 -26.590 -15.368 1.00 3.45 H new ATOM 816 N TYR A 54 15.993 -25.918 -15.072 1.00 61.02 N ATOM 817 CA TYR A 54 17.211 -26.545 -15.571 1.00 61.30 C ATOM 818 C TYR A 54 17.201 -28.047 -15.301 1.00 13.22 C ATOM 819 O TYR A 54 16.320 -28.558 -14.609 1.00 24.24 O ATOM 820 CB TYR A 54 18.441 -25.908 -14.922 1.00 52.52 C ATOM 821 CG TYR A 54 18.809 -24.565 -15.512 1.00 12.20 C ATOM 822 CD1 TYR A 54 19.374 -24.471 -16.778 1.00 12.03 C ATOM 823 CD2 TYR A 54 18.590 -23.390 -14.803 1.00 43.44 C ATOM 824 CE1 TYR A 54 19.712 -23.246 -17.320 1.00 22.31 C ATOM 825 CE2 TYR A 54 18.924 -22.160 -15.338 1.00 62.43 C ATOM 826 CZ TYR A 54 19.485 -22.094 -16.597 1.00 23.05 C ATOM 827 OH TYR A 54 19.820 -20.872 -17.134 1.00 33.13 O ATOM 0 H TYR A 54 15.608 -26.353 -14.234 1.00 61.02 H new ATOM 0 HA TYR A 54 17.254 -26.388 -16.649 1.00 61.30 H new ATOM 0 HB2 TYR A 54 18.257 -25.788 -13.854 1.00 52.52 H new ATOM 0 HB3 TYR A 54 19.288 -26.586 -15.026 1.00 52.52 H new ATOM 0 HD1 TYR A 54 19.552 -25.371 -17.348 1.00 12.03 H new ATOM 0 HD2 TYR A 54 18.151 -23.439 -13.817 1.00 43.44 H new ATOM 0 HE1 TYR A 54 20.152 -23.191 -18.305 1.00 22.31 H new ATOM 0 HE2 TYR A 54 18.747 -21.256 -14.774 1.00 62.43 H new ATOM 0 HH TYR A 54 19.595 -20.162 -16.497 1.00 33.13 H new ATOM 837 N ASP A 55 18.186 -28.747 -15.852 1.00 0.03 N ATOM 838 CA ASP A 55 18.293 -30.190 -15.670 1.00 1.12 C ATOM 839 C ASP A 55 19.675 -30.688 -16.080 1.00 25.25 C ATOM 840 O ASP A 55 19.887 -31.094 -17.221 1.00 72.34 O ATOM 841 CB ASP A 55 17.216 -30.909 -16.483 1.00 62.34 C ATOM 842 CG ASP A 55 17.154 -30.424 -17.918 1.00 71.13 C ATOM 843 OD1 ASP A 55 16.677 -29.292 -18.141 1.00 40.11 O ATOM 844 OD2 ASP A 55 17.581 -31.177 -18.819 1.00 2.03 O ATOM 0 H ASP A 55 18.922 -28.339 -16.428 1.00 0.03 H new ATOM 0 HA ASP A 55 18.146 -30.410 -14.613 1.00 1.12 H new ATOM 0 HB2 ASP A 55 17.412 -31.981 -16.473 1.00 62.34 H new ATOM 0 HB3 ASP A 55 16.246 -30.758 -16.009 1.00 62.34 H new ATOM 849 N GLY A 56 20.615 -30.653 -15.139 1.00 13.10 N ATOM 850 CA GLY A 56 21.965 -31.102 -15.422 1.00 63.40 C ATOM 851 C GLY A 56 22.760 -31.381 -14.162 1.00 11.45 C ATOM 852 O GLY A 56 22.632 -32.448 -13.562 1.00 65.40 O ATOM 0 H GLY A 56 20.465 -30.322 -14.186 1.00 13.10 H new ATOM 0 HA2 GLY A 56 21.924 -32.006 -16.029 1.00 63.40 H new ATOM 0 HA3 GLY A 56 22.480 -30.344 -16.013 1.00 63.40 H new ATOM 856 N TYR A 57 23.583 -30.419 -13.759 1.00 62.10 N ATOM 857 CA TYR A 57 24.405 -30.567 -12.564 1.00 21.32 C ATOM 858 C TYR A 57 24.395 -29.288 -11.733 1.00 54.43 C ATOM 859 O TYR A 57 24.117 -29.315 -10.534 1.00 50.43 O ATOM 860 CB TYR A 57 25.841 -30.927 -12.948 1.00 62.13 C ATOM 861 CG TYR A 57 26.012 -32.369 -13.372 1.00 14.44 C ATOM 862 CD1 TYR A 57 25.696 -33.409 -12.507 1.00 22.31 C ATOM 863 CD2 TYR A 57 26.487 -32.690 -14.637 1.00 43.21 C ATOM 864 CE1 TYR A 57 25.851 -34.728 -12.889 1.00 42.43 C ATOM 865 CE2 TYR A 57 26.644 -34.005 -15.029 1.00 30.44 C ATOM 866 CZ TYR A 57 26.325 -35.021 -14.151 1.00 41.41 C ATOM 867 OH TYR A 57 26.479 -36.333 -14.536 1.00 45.43 O ATOM 0 H TYR A 57 23.698 -29.528 -14.243 1.00 62.10 H new ATOM 0 HA TYR A 57 23.984 -31.373 -11.963 1.00 21.32 H new ATOM 0 HB2 TYR A 57 26.164 -30.277 -13.761 1.00 62.13 H new ATOM 0 HB3 TYR A 57 26.496 -30.726 -12.100 1.00 62.13 H new ATOM 0 HD1 TYR A 57 25.323 -33.183 -11.519 1.00 22.31 H new ATOM 0 HD2 TYR A 57 26.738 -31.897 -15.326 1.00 43.21 H new ATOM 0 HE1 TYR A 57 25.603 -35.525 -12.204 1.00 42.43 H new ATOM 0 HE2 TYR A 57 27.014 -34.237 -16.017 1.00 30.44 H new ATOM 0 HH TYR A 57 26.821 -36.367 -15.454 1.00 45.43 H new ATOM 877 N SER A 58 24.699 -28.167 -12.381 1.00 34.23 N ATOM 878 CA SER A 58 24.728 -26.876 -11.703 1.00 34.53 C ATOM 879 C SER A 58 24.513 -25.737 -12.694 1.00 75.13 C ATOM 880 O SER A 58 24.540 -25.941 -13.908 1.00 45.22 O ATOM 881 CB SER A 58 26.060 -26.689 -10.974 1.00 71.13 C ATOM 882 OG SER A 58 27.020 -26.075 -11.817 1.00 14.34 O ATOM 0 H SER A 58 24.928 -28.127 -13.374 1.00 34.23 H new ATOM 0 HA SER A 58 23.918 -26.858 -10.974 1.00 34.53 H new ATOM 0 HB2 SER A 58 25.909 -26.078 -10.084 1.00 71.13 H new ATOM 0 HB3 SER A 58 26.433 -27.656 -10.637 1.00 71.13 H new ATOM 0 HG SER A 58 27.862 -25.965 -11.328 1.00 14.34 H new ATOM 888 N LYS A 59 24.298 -24.536 -12.168 1.00 74.12 N ATOM 889 CA LYS A 59 24.079 -23.362 -13.004 1.00 54.14 C ATOM 890 C LYS A 59 24.203 -22.081 -12.186 1.00 43.55 C ATOM 891 O LYS A 59 23.223 -21.594 -11.622 1.00 75.33 O ATOM 892 CB LYS A 59 22.698 -23.428 -13.661 1.00 32.31 C ATOM 893 CG LYS A 59 22.651 -22.803 -15.045 1.00 25.45 C ATOM 894 CD LYS A 59 22.928 -23.830 -16.130 1.00 22.43 C ATOM 895 CE LYS A 59 24.413 -23.918 -16.448 1.00 71.52 C ATOM 896 NZ LYS A 59 24.951 -22.622 -16.946 1.00 23.24 N ATOM 0 H LYS A 59 24.271 -24.350 -11.165 1.00 74.12 H new ATOM 0 HA LYS A 59 24.844 -23.352 -13.780 1.00 54.14 H new ATOM 0 HB2 LYS A 59 22.388 -24.471 -13.732 1.00 32.31 H new ATOM 0 HB3 LYS A 59 21.975 -22.924 -13.019 1.00 32.31 H new ATOM 0 HG2 LYS A 59 21.672 -22.354 -15.209 1.00 25.45 H new ATOM 0 HG3 LYS A 59 23.385 -21.999 -15.107 1.00 25.45 H new ATOM 0 HD2 LYS A 59 22.565 -24.806 -15.809 1.00 22.43 H new ATOM 0 HD3 LYS A 59 22.377 -23.565 -17.032 1.00 22.43 H new ATOM 0 HE2 LYS A 59 24.959 -24.218 -15.554 1.00 71.52 H new ATOM 0 HE3 LYS A 59 24.579 -24.692 -17.197 1.00 71.52 H new ATOM 0 HZ1 LYS A 59 25.740 -22.802 -17.599 1.00 23.24 H new ATOM 0 HZ2 LYS A 59 24.200 -22.103 -17.444 1.00 23.24 H new ATOM 0 HZ3 LYS A 59 25.289 -22.055 -16.143 1.00 23.24 H new ATOM 910 N HIS A 60 25.415 -21.537 -12.127 1.00 51.14 N ATOM 911 CA HIS A 60 25.667 -20.310 -11.380 1.00 32.11 C ATOM 912 C HIS A 60 25.603 -19.092 -12.297 1.00 32.31 C ATOM 913 O HIS A 60 26.347 -18.128 -12.117 1.00 75.53 O ATOM 914 CB HIS A 60 27.032 -20.376 -10.695 1.00 63.32 C ATOM 915 CG HIS A 60 28.153 -20.721 -11.627 1.00 23.03 C ATOM 916 ND1 HIS A 60 28.713 -19.812 -12.500 1.00 33.21 N ATOM 917 CD2 HIS A 60 28.821 -21.883 -11.817 1.00 34.20 C ATOM 918 CE1 HIS A 60 29.674 -20.401 -13.188 1.00 44.13 C ATOM 919 NE2 HIS A 60 29.760 -21.658 -12.793 1.00 24.15 N ATOM 0 H HIS A 60 26.237 -21.927 -12.588 1.00 51.14 H new ATOM 0 HA HIS A 60 24.892 -20.211 -10.620 1.00 32.11 H new ATOM 0 HB2 HIS A 60 27.242 -19.414 -10.228 1.00 63.32 H new ATOM 0 HB3 HIS A 60 26.993 -21.117 -9.896 1.00 63.32 H new ATOM 0 HD1 HIS A 60 28.429 -18.837 -12.599 1.00 33.21 H new ATOM 0 HD2 HIS A 60 28.648 -22.814 -11.297 1.00 34.20 H new ATOM 0 HE1 HIS A 60 30.286 -19.934 -13.945 1.00 44.13 H new ATOM 927 N ALA A 61 24.710 -19.144 -13.280 1.00 20.11 N ATOM 928 CA ALA A 61 24.548 -18.045 -14.224 1.00 24.22 C ATOM 929 C ALA A 61 23.559 -17.011 -13.698 1.00 4.42 C ATOM 930 O ALA A 61 23.954 -15.942 -13.231 1.00 32.23 O ATOM 931 CB ALA A 61 24.093 -18.574 -15.576 1.00 42.41 C ATOM 0 H ALA A 61 24.088 -19.936 -13.443 1.00 20.11 H new ATOM 0 HA ALA A 61 25.515 -17.556 -14.344 1.00 24.22 H new ATOM 0 HB1 ALA A 61 23.976 -17.743 -16.271 1.00 42.41 H new ATOM 0 HB2 ALA A 61 24.837 -19.269 -15.964 1.00 42.41 H new ATOM 0 HB3 ALA A 61 23.139 -19.089 -15.463 1.00 42.41 H new ATOM 937 N SER A 62 22.273 -17.335 -13.778 1.00 13.45 N ATOM 938 CA SER A 62 21.227 -16.431 -13.313 1.00 53.14 C ATOM 939 C SER A 62 20.072 -17.210 -12.691 1.00 23.22 C ATOM 940 O SER A 62 19.823 -18.363 -13.044 1.00 64.40 O ATOM 941 CB SER A 62 20.712 -15.574 -14.472 1.00 25.20 C ATOM 942 OG SER A 62 20.090 -14.394 -13.996 1.00 53.40 O ATOM 0 H SER A 62 21.930 -18.216 -14.160 1.00 13.45 H new ATOM 0 HA SER A 62 21.656 -15.780 -12.551 1.00 53.14 H new ATOM 0 HB2 SER A 62 21.540 -15.312 -15.131 1.00 25.20 H new ATOM 0 HB3 SER A 62 20.002 -16.149 -15.066 1.00 25.20 H new ATOM 0 HG SER A 62 19.389 -14.118 -14.623 1.00 53.40 H new ATOM 948 N THR A 63 19.369 -16.572 -11.760 1.00 41.25 N ATOM 949 CA THR A 63 18.242 -17.204 -11.087 1.00 12.43 C ATOM 950 C THR A 63 17.150 -16.188 -10.772 1.00 53.30 C ATOM 951 O THR A 63 17.363 -14.979 -10.874 1.00 74.13 O ATOM 952 CB THR A 63 18.681 -17.890 -9.779 1.00 43.54 C ATOM 953 OG1 THR A 63 17.617 -18.700 -9.269 1.00 54.05 O ATOM 954 CG2 THR A 63 19.085 -16.858 -8.736 1.00 73.34 C ATOM 0 H THR A 63 19.561 -15.618 -11.455 1.00 41.25 H new ATOM 0 HA THR A 63 17.849 -17.957 -11.770 1.00 12.43 H new ATOM 0 HB THR A 63 19.543 -18.520 -9.997 1.00 43.54 H new ATOM 0 HG1 THR A 63 17.905 -19.134 -8.439 1.00 54.05 H new ATOM 0 HG21 THR A 63 19.391 -17.366 -7.821 1.00 73.34 H new ATOM 0 HG22 THR A 63 19.915 -16.263 -9.116 1.00 73.34 H new ATOM 0 HG23 THR A 63 18.238 -16.205 -8.523 1.00 73.34 H new ATOM 962 N THR A 64 15.978 -16.685 -10.387 1.00 42.05 N ATOM 963 CA THR A 64 14.852 -15.821 -10.058 1.00 40.50 C ATOM 964 C THR A 64 14.245 -16.198 -8.712 1.00 14.02 C ATOM 965 O THR A 64 14.206 -17.372 -8.345 1.00 32.31 O ATOM 966 CB THR A 64 13.757 -15.888 -11.139 1.00 41.33 C ATOM 967 OG1 THR A 64 14.284 -15.454 -12.398 1.00 65.31 O ATOM 968 CG2 THR A 64 12.566 -15.022 -10.758 1.00 11.13 C ATOM 0 H THR A 64 15.785 -17.682 -10.296 1.00 42.05 H new ATOM 0 HA THR A 64 15.239 -14.803 -10.007 1.00 40.50 H new ATOM 0 HB THR A 64 13.423 -16.922 -11.222 1.00 41.33 H new ATOM 0 HG1 THR A 64 13.582 -15.501 -13.080 1.00 65.31 H new ATOM 0 HG21 THR A 64 11.806 -15.086 -11.537 1.00 11.13 H new ATOM 0 HG22 THR A 64 12.149 -15.372 -9.814 1.00 11.13 H new ATOM 0 HG23 THR A 64 12.889 -13.987 -10.650 1.00 11.13 H new ATOM 976 N SER A 65 13.771 -15.195 -7.980 1.00 14.05 N ATOM 977 CA SER A 65 13.167 -15.422 -6.672 1.00 4.05 C ATOM 978 C SER A 65 11.778 -14.795 -6.598 1.00 22.41 C ATOM 979 O SER A 65 11.555 -13.692 -7.097 1.00 34.12 O ATOM 980 CB SER A 65 14.058 -14.846 -5.569 1.00 30.42 C ATOM 981 OG SER A 65 13.412 -14.905 -4.309 1.00 12.40 O ATOM 0 H SER A 65 13.793 -14.217 -8.270 1.00 14.05 H new ATOM 0 HA SER A 65 13.069 -16.498 -6.526 1.00 4.05 H new ATOM 0 HB2 SER A 65 14.995 -15.401 -5.527 1.00 30.42 H new ATOM 0 HB3 SER A 65 14.310 -13.812 -5.804 1.00 30.42 H new ATOM 0 HG SER A 65 14.002 -14.533 -3.621 1.00 12.40 H new ATOM 987 N CYS A 66 10.847 -15.508 -5.972 1.00 3.31 N ATOM 988 CA CYS A 66 9.479 -15.024 -5.832 1.00 22.11 C ATOM 989 C CYS A 66 9.043 -15.041 -4.370 1.00 21.23 C ATOM 990 O CYS A 66 9.319 -15.993 -3.639 1.00 75.41 O ATOM 991 CB CYS A 66 8.526 -15.878 -6.670 1.00 31.52 C ATOM 992 SG CYS A 66 9.192 -16.357 -8.297 1.00 35.45 S ATOM 0 H CYS A 66 11.015 -16.423 -5.554 1.00 3.31 H new ATOM 0 HA CYS A 66 9.445 -13.995 -6.191 1.00 22.11 H new ATOM 0 HB2 CYS A 66 8.277 -16.780 -6.111 1.00 31.52 H new ATOM 0 HB3 CYS A 66 7.597 -15.328 -6.817 1.00 31.52 H new ATOM 997 N CYS A 67 8.361 -13.981 -3.949 1.00 72.22 N ATOM 998 CA CYS A 67 7.886 -13.873 -2.575 1.00 41.31 C ATOM 999 C CYS A 67 6.643 -12.991 -2.497 1.00 73.42 C ATOM 1000 O CYS A 67 6.229 -12.396 -3.492 1.00 23.03 O ATOM 1001 CB CYS A 67 8.986 -13.303 -1.677 1.00 13.40 C ATOM 1002 SG CYS A 67 9.956 -11.967 -2.446 1.00 40.44 S ATOM 0 H CYS A 67 8.125 -13.184 -4.540 1.00 72.22 H new ATOM 0 HA CYS A 67 7.623 -14.872 -2.228 1.00 41.31 H new ATOM 0 HB2 CYS A 67 8.533 -12.927 -0.760 1.00 13.40 H new ATOM 0 HB3 CYS A 67 9.661 -14.110 -1.391 1.00 13.40 H new ATOM 1007 N GLN A 68 6.053 -12.914 -1.309 1.00 14.12 N ATOM 1008 CA GLN A 68 4.857 -12.106 -1.102 1.00 13.15 C ATOM 1009 C GLN A 68 4.976 -11.272 0.170 1.00 25.40 C ATOM 1010 O GLN A 68 3.989 -10.722 0.659 1.00 24.40 O ATOM 1011 CB GLN A 68 3.618 -13.000 -1.024 1.00 63.53 C ATOM 1012 CG GLN A 68 2.351 -12.331 -1.532 1.00 45.10 C ATOM 1013 CD GLN A 68 1.594 -11.608 -0.436 1.00 11.02 C ATOM 1014 OE1 GLN A 68 1.310 -12.178 0.618 1.00 1.22 O ATOM 1015 NE2 GLN A 68 1.262 -10.345 -0.679 1.00 31.42 N ATOM 0 H GLN A 68 6.383 -13.401 -0.476 1.00 14.12 H new ATOM 0 HA GLN A 68 4.756 -11.430 -1.951 1.00 13.15 H new ATOM 0 HB2 GLN A 68 3.797 -13.906 -1.603 1.00 63.53 H new ATOM 0 HB3 GLN A 68 3.467 -13.307 0.011 1.00 63.53 H new ATOM 0 HG2 GLN A 68 2.609 -11.622 -2.319 1.00 45.10 H new ATOM 0 HG3 GLN A 68 1.702 -13.083 -1.981 1.00 45.10 H new ATOM 0 HE21 GLN A 68 1.518 -9.912 -1.567 1.00 31.42 H new ATOM 0 HE22 GLN A 68 0.751 -9.808 0.022 1.00 31.42 H new ATOM 1024 N TYR A 69 6.191 -11.184 0.701 1.00 51.41 N ATOM 1025 CA TYR A 69 6.439 -10.419 1.918 1.00 62.45 C ATOM 1026 C TYR A 69 6.941 -9.017 1.587 1.00 24.21 C ATOM 1027 O TYR A 69 7.659 -8.818 0.607 1.00 3.41 O ATOM 1028 CB TYR A 69 7.457 -11.143 2.800 1.00 3.04 C ATOM 1029 CG TYR A 69 8.098 -10.252 3.841 1.00 73.30 C ATOM 1030 CD1 TYR A 69 7.339 -9.677 4.853 1.00 20.33 C ATOM 1031 CD2 TYR A 69 9.461 -9.985 3.812 1.00 53.25 C ATOM 1032 CE1 TYR A 69 7.919 -8.862 5.806 1.00 65.22 C ATOM 1033 CE2 TYR A 69 10.050 -9.172 4.761 1.00 71.23 C ATOM 1034 CZ TYR A 69 9.275 -8.613 5.756 1.00 62.25 C ATOM 1035 OH TYR A 69 9.858 -7.802 6.702 1.00 21.01 O ATOM 0 H TYR A 69 7.019 -11.632 0.308 1.00 51.41 H new ATOM 0 HA TYR A 69 5.497 -10.329 2.460 1.00 62.45 H new ATOM 0 HB2 TYR A 69 6.964 -11.976 3.301 1.00 3.04 H new ATOM 0 HB3 TYR A 69 8.237 -11.568 2.167 1.00 3.04 H new ATOM 0 HD1 TYR A 69 6.277 -9.871 4.895 1.00 20.33 H new ATOM 0 HD2 TYR A 69 10.071 -10.421 3.034 1.00 53.25 H new ATOM 0 HE1 TYR A 69 7.314 -8.422 6.586 1.00 65.22 H new ATOM 0 HE2 TYR A 69 11.111 -8.975 4.724 1.00 71.23 H new ATOM 0 HH TYR A 69 10.819 -7.731 6.524 1.00 21.01 H new ATOM 1045 N ASP A 70 6.559 -8.049 2.413 1.00 73.33 N ATOM 1046 CA ASP A 70 6.971 -6.665 2.211 1.00 74.01 C ATOM 1047 C ASP A 70 8.489 -6.558 2.116 1.00 64.33 C ATOM 1048 O ASP A 70 9.213 -7.071 2.970 1.00 3.15 O ATOM 1049 CB ASP A 70 6.456 -5.786 3.352 1.00 54.13 C ATOM 1050 CG ASP A 70 4.995 -5.417 3.184 1.00 33.12 C ATOM 1051 OD1 ASP A 70 4.624 -4.943 2.090 1.00 73.54 O ATOM 1052 OD2 ASP A 70 4.222 -5.603 4.147 1.00 2.24 O ATOM 0 H ASP A 70 5.965 -8.197 3.229 1.00 73.33 H new ATOM 0 HA ASP A 70 6.541 -6.317 1.272 1.00 74.01 H new ATOM 0 HB2 ASP A 70 6.589 -6.310 4.299 1.00 54.13 H new ATOM 0 HB3 ASP A 70 7.054 -4.876 3.404 1.00 54.13 H new ATOM 1057 N LEU A 71 8.966 -5.891 1.071 1.00 50.32 N ATOM 1058 CA LEU A 71 10.399 -5.717 0.863 1.00 64.43 C ATOM 1059 C LEU A 71 11.136 -7.044 1.015 1.00 22.24 C ATOM 1060 O LEU A 71 12.262 -7.088 1.514 1.00 75.05 O ATOM 1061 CB LEU A 71 10.958 -4.694 1.853 1.00 43.35 C ATOM 1062 CG LEU A 71 10.139 -3.415 2.030 1.00 32.12 C ATOM 1063 CD1 LEU A 71 10.894 -2.411 2.887 1.00 25.53 C ATOM 1064 CD2 LEU A 71 9.794 -2.811 0.677 1.00 14.50 C ATOM 0 H LEU A 71 8.381 -5.462 0.354 1.00 50.32 H new ATOM 0 HA LEU A 71 10.552 -5.351 -0.152 1.00 64.43 H new ATOM 0 HB2 LEU A 71 11.057 -5.176 2.826 1.00 43.35 H new ATOM 0 HB3 LEU A 71 11.962 -4.417 1.531 1.00 43.35 H new ATOM 0 HG LEU A 71 9.210 -3.670 2.540 1.00 32.12 H new ATOM 0 HD11 LEU A 71 10.295 -1.507 3.002 1.00 25.53 H new ATOM 0 HD12 LEU A 71 11.089 -2.844 3.868 1.00 25.53 H new ATOM 0 HD13 LEU A 71 11.840 -2.161 2.406 1.00 25.53 H new ATOM 0 HD21 LEU A 71 9.211 -1.902 0.823 1.00 14.50 H new ATOM 0 HD22 LEU A 71 10.712 -2.572 0.141 1.00 14.50 H new ATOM 0 HD23 LEU A 71 9.211 -3.527 0.097 1.00 14.50 H new ATOM 1076 N CYS A 72 10.495 -8.124 0.582 1.00 62.35 N ATOM 1077 CA CYS A 72 11.089 -9.453 0.668 1.00 43.22 C ATOM 1078 C CYS A 72 12.315 -9.560 -0.234 1.00 45.03 C ATOM 1079 O CYS A 72 13.218 -10.356 0.020 1.00 22.03 O ATOM 1080 CB CYS A 72 10.063 -10.519 0.281 1.00 70.44 C ATOM 1081 SG CYS A 72 9.423 -10.354 -1.417 1.00 0.11 S ATOM 0 H CYS A 72 9.563 -8.105 0.168 1.00 62.35 H new ATOM 0 HA CYS A 72 11.403 -9.618 1.699 1.00 43.22 H new ATOM 0 HB2 CYS A 72 10.518 -11.503 0.392 1.00 70.44 H new ATOM 0 HB3 CYS A 72 9.227 -10.474 0.979 1.00 70.44 H new ATOM 1086 N ASN A 73 12.340 -8.752 -1.289 1.00 55.13 N ATOM 1087 CA ASN A 73 13.454 -8.756 -2.230 1.00 2.33 C ATOM 1088 C ASN A 73 14.477 -7.684 -1.865 1.00 24.53 C ATOM 1089 O ASN A 73 15.214 -7.197 -2.721 1.00 53.13 O ATOM 1090 CB ASN A 73 12.947 -8.528 -3.655 1.00 51.30 C ATOM 1091 CG ASN A 73 12.303 -7.166 -3.829 1.00 15.15 C ATOM 1092 OD1 ASN A 73 12.210 -6.385 -2.881 1.00 30.51 O ATOM 1093 ND2 ASN A 73 11.853 -6.875 -5.044 1.00 1.33 N ATOM 0 H ASN A 73 11.601 -8.086 -1.514 1.00 55.13 H new ATOM 0 HA ASN A 73 13.939 -9.731 -2.176 1.00 2.33 H new ATOM 0 HB2 ASN A 73 13.778 -8.626 -4.353 1.00 51.30 H new ATOM 0 HB3 ASN A 73 12.224 -9.304 -3.909 1.00 51.30 H new ATOM 0 HD21 ASN A 73 11.409 -5.974 -5.221 1.00 1.33 H new ATOM 0 HD22 ASN A 73 11.951 -7.553 -5.800 1.00 1.33 H new ATOM 1100 N GLY A 74 14.518 -7.323 -0.586 1.00 34.23 N ATOM 1101 CA GLY A 74 15.454 -6.313 -0.129 1.00 50.23 C ATOM 1102 C GLY A 74 16.817 -6.890 0.197 1.00 32.53 C ATOM 1103 O GLY A 74 17.231 -6.904 1.356 1.00 32.33 O ATOM 0 H GLY A 74 13.919 -7.712 0.142 1.00 34.23 H new ATOM 0 HA2 GLY A 74 15.561 -5.548 -0.898 1.00 50.23 H new ATOM 0 HA3 GLY A 74 15.050 -5.822 0.756 1.00 50.23 H new TER 1107 GLY A 74