USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 633 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 1 MET N :NH3+ -116:sc= -0.408 (180deg=-5.01!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0.861 USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -157:sc= -0.109 (180deg=-0.545) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0648 X(o=-0.065,f=-0.4) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 16 THR OG1 : rot -66:sc= 0.872 USER MOD Single : A 17 SER OG : rot -67:sc= 0.79 USER MOD Single : A 19 THR OG1 : rot 173:sc= 0.814 USER MOD Single : A 22 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.9!) USER MOD Single : A 23 THR OG1 : rot 163:sc= 1.21 USER MOD Single : A 28 LYS NZ :NH3+ 144:sc= 0.0688 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -3.14 X(o=-3.1,f=-2.7) USER MOD Single : A 41 MET CE :methyl 147:sc= -0.0607 (180deg=-0.48) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.614 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc=-0.000342 X(o=-0.00034,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.087 X(o=-0.087,f=-0.087) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 53:sc= 0.271 USER MOD Single : A 69 HIS : no HD1:sc= -6.11! C(o=-6.1!,f=-7.1!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.271 -0.392 0.564 1.00 54.02 N ATOM 2 CA MET A 1 2.077 -0.395 -0.652 1.00 35.54 C ATOM 3 C MET A 1 1.439 -1.274 -1.724 1.00 3.51 C ATOM 4 O MET A 1 1.010 -0.782 -2.769 1.00 24.22 O ATOM 5 CB MET A 1 3.493 -0.888 -0.348 1.00 40.53 C ATOM 6 CG MET A 1 4.506 -0.523 -1.421 1.00 51.35 C ATOM 7 SD MET A 1 6.156 -0.242 -0.752 1.00 64.22 S ATOM 8 CE MET A 1 6.762 1.024 -1.864 1.00 50.53 C ATOM 0 H1 MET A 1 0.910 0.568 0.739 1.00 54.02 H new ATOM 0 H2 MET A 1 0.471 -1.047 0.452 1.00 54.02 H new ATOM 0 H3 MET A 1 1.856 -0.694 1.369 1.00 54.02 H new ATOM 0 HA MET A 1 2.128 0.627 -1.028 1.00 35.54 H new ATOM 0 HB2 MET A 1 3.818 -0.470 0.605 1.00 40.53 H new ATOM 0 HB3 MET A 1 3.475 -1.972 -0.231 1.00 40.53 H new ATOM 0 HG2 MET A 1 4.550 -1.322 -2.161 1.00 51.35 H new ATOM 0 HG3 MET A 1 4.171 0.375 -1.941 1.00 51.35 H new ATOM 0 HE1 MET A 1 7.776 1.304 -1.578 1.00 50.53 H new ATOM 0 HE2 MET A 1 6.765 0.641 -2.884 1.00 50.53 H new ATOM 0 HE3 MET A 1 6.114 1.899 -1.807 1.00 50.53 H new ATOM 18 N LEU A 2 1.381 -2.574 -1.459 1.00 53.03 N ATOM 19 CA LEU A 2 0.796 -3.521 -2.402 1.00 72.02 C ATOM 20 C LEU A 2 -0.563 -4.010 -1.911 1.00 10.31 C ATOM 21 O LEU A 2 -0.690 -4.496 -0.786 1.00 75.24 O ATOM 22 CB LEU A 2 1.734 -4.711 -2.609 1.00 24.14 C ATOM 23 CG LEU A 2 1.126 -5.934 -3.296 1.00 22.34 C ATOM 24 CD1 LEU A 2 2.170 -6.644 -4.144 1.00 30.22 C ATOM 25 CD2 LEU A 2 0.536 -6.886 -2.265 1.00 64.33 C ATOM 0 H LEU A 2 1.732 -2.997 -0.599 1.00 53.03 H new ATOM 0 HA LEU A 2 0.655 -3.008 -3.353 1.00 72.02 H new ATOM 0 HB2 LEU A 2 2.588 -4.376 -3.197 1.00 24.14 H new ATOM 0 HB3 LEU A 2 2.118 -5.019 -1.636 1.00 24.14 H new ATOM 0 HG LEU A 2 0.323 -5.597 -3.952 1.00 22.34 H new ATOM 0 HD11 LEU A 2 1.719 -7.512 -4.625 1.00 30.22 H new ATOM 0 HD12 LEU A 2 2.546 -5.961 -4.906 1.00 30.22 H new ATOM 0 HD13 LEU A 2 2.995 -6.969 -3.509 1.00 30.22 H new ATOM 0 HD21 LEU A 2 0.108 -7.751 -2.772 1.00 64.33 H new ATOM 0 HD22 LEU A 2 1.320 -7.216 -1.584 1.00 64.33 H new ATOM 0 HD23 LEU A 2 -0.243 -6.374 -1.700 1.00 64.33 H new ATOM 37 N LEU A 3 -1.575 -3.879 -2.761 1.00 35.31 N ATOM 38 CA LEU A 3 -2.926 -4.310 -2.415 1.00 4.24 C ATOM 39 C LEU A 3 -3.601 -4.991 -3.601 1.00 11.24 C ATOM 40 O LEU A 3 -3.342 -4.652 -4.755 1.00 64.25 O ATOM 41 CB LEU A 3 -3.761 -3.114 -1.955 1.00 13.12 C ATOM 42 CG LEU A 3 -4.323 -2.222 -3.063 1.00 34.34 C ATOM 43 CD1 LEU A 3 -5.296 -1.205 -2.487 1.00 2.52 C ATOM 44 CD2 LEU A 3 -3.196 -1.523 -3.808 1.00 70.11 C ATOM 0 H LEU A 3 -1.487 -3.478 -3.695 1.00 35.31 H new ATOM 0 HA LEU A 3 -2.854 -5.030 -1.600 1.00 4.24 H new ATOM 0 HB2 LEU A 3 -4.594 -3.486 -1.358 1.00 13.12 H new ATOM 0 HB3 LEU A 3 -3.147 -2.499 -1.297 1.00 13.12 H new ATOM 0 HG LEU A 3 -4.863 -2.851 -3.771 1.00 34.34 H new ATOM 0 HD11 LEU A 3 -5.686 -0.579 -3.290 1.00 2.52 H new ATOM 0 HD12 LEU A 3 -6.121 -1.726 -2.000 1.00 2.52 H new ATOM 0 HD13 LEU A 3 -4.780 -0.580 -1.758 1.00 2.52 H new ATOM 0 HD21 LEU A 3 -3.615 -0.893 -4.593 1.00 70.11 H new ATOM 0 HD22 LEU A 3 -2.627 -0.906 -3.112 1.00 70.11 H new ATOM 0 HD23 LEU A 3 -2.537 -2.268 -4.254 1.00 70.11 H new ATOM 56 N LYS A 4 -4.471 -5.952 -3.308 1.00 1.43 N ATOM 57 CA LYS A 4 -5.188 -6.679 -4.349 1.00 5.14 C ATOM 58 C LYS A 4 -6.670 -6.318 -4.342 1.00 64.32 C ATOM 59 O LYS A 4 -7.395 -6.649 -3.404 1.00 72.13 O ATOM 60 CB LYS A 4 -5.018 -8.187 -4.155 1.00 21.44 C ATOM 61 CG LYS A 4 -5.922 -9.021 -5.046 1.00 51.22 C ATOM 62 CD LYS A 4 -7.006 -9.720 -4.243 1.00 61.21 C ATOM 63 CE LYS A 4 -6.456 -10.926 -3.497 1.00 72.31 C ATOM 64 NZ LYS A 4 -5.945 -11.969 -4.429 1.00 71.30 N ATOM 0 H LYS A 4 -4.697 -6.245 -2.358 1.00 1.43 H new ATOM 0 HA LYS A 4 -4.767 -6.393 -5.313 1.00 5.14 H new ATOM 0 HB2 LYS A 4 -3.980 -8.455 -4.352 1.00 21.44 H new ATOM 0 HB3 LYS A 4 -5.219 -8.436 -3.113 1.00 21.44 H new ATOM 0 HG2 LYS A 4 -6.382 -8.382 -5.800 1.00 51.22 H new ATOM 0 HG3 LYS A 4 -5.326 -9.763 -5.578 1.00 51.22 H new ATOM 0 HD2 LYS A 4 -7.443 -9.019 -3.532 1.00 61.21 H new ATOM 0 HD3 LYS A 4 -7.807 -10.038 -4.910 1.00 61.21 H new ATOM 0 HE2 LYS A 4 -5.652 -10.607 -2.833 1.00 72.31 H new ATOM 0 HE3 LYS A 4 -7.238 -11.352 -2.869 1.00 72.31 H new ATOM 0 HZ1 LYS A 4 -5.945 -12.892 -3.950 1.00 71.30 H new ATOM 0 HZ2 LYS A 4 -6.557 -12.014 -5.269 1.00 71.30 H new ATOM 0 HZ3 LYS A 4 -4.975 -11.730 -4.720 1.00 71.30 H new ATOM 78 N VAL A 5 -7.114 -5.640 -5.395 1.00 44.54 N ATOM 79 CA VAL A 5 -8.510 -5.237 -5.512 1.00 41.41 C ATOM 80 C VAL A 5 -9.264 -6.143 -6.478 1.00 54.35 C ATOM 81 O VAL A 5 -8.845 -6.339 -7.619 1.00 51.34 O ATOM 82 CB VAL A 5 -8.635 -3.778 -5.990 1.00 11.43 C ATOM 83 CG1 VAL A 5 -8.018 -2.828 -4.974 1.00 33.32 C ATOM 84 CG2 VAL A 5 -7.985 -3.607 -7.355 1.00 13.35 C ATOM 0 H VAL A 5 -6.527 -5.358 -6.180 1.00 44.54 H new ATOM 0 HA VAL A 5 -8.949 -5.325 -4.518 1.00 41.41 H new ATOM 0 HB VAL A 5 -9.693 -3.534 -6.084 1.00 11.43 H new ATOM 0 HG11 VAL A 5 -8.116 -1.802 -5.329 1.00 33.32 H new ATOM 0 HG12 VAL A 5 -8.533 -2.932 -4.019 1.00 33.32 H new ATOM 0 HG13 VAL A 5 -6.963 -3.068 -4.845 1.00 33.32 H new ATOM 0 HG21 VAL A 5 -8.083 -2.570 -7.677 1.00 13.35 H new ATOM 0 HG22 VAL A 5 -6.929 -3.869 -7.290 1.00 13.35 H new ATOM 0 HG23 VAL A 5 -8.477 -4.259 -8.077 1.00 13.35 H new ATOM 94 N LYS A 6 -10.381 -6.693 -6.015 1.00 31.52 N ATOM 95 CA LYS A 6 -11.197 -7.578 -6.838 1.00 33.45 C ATOM 96 C LYS A 6 -12.644 -7.097 -6.885 1.00 1.15 C ATOM 97 O LYS A 6 -13.274 -6.889 -5.847 1.00 53.43 O ATOM 98 CB LYS A 6 -11.142 -9.008 -6.295 1.00 22.21 C ATOM 99 CG LYS A 6 -11.504 -9.115 -4.824 1.00 10.13 C ATOM 100 CD LYS A 6 -10.536 -10.015 -4.075 1.00 23.21 C ATOM 101 CE LYS A 6 -11.213 -10.711 -2.905 1.00 34.53 C ATOM 102 NZ LYS A 6 -10.610 -12.044 -2.628 1.00 31.55 N ATOM 0 H LYS A 6 -10.742 -6.541 -5.073 1.00 31.52 H new ATOM 0 HA LYS A 6 -10.795 -7.564 -7.851 1.00 33.45 H new ATOM 0 HB2 LYS A 6 -11.821 -9.634 -6.874 1.00 22.21 H new ATOM 0 HB3 LYS A 6 -10.138 -9.405 -6.443 1.00 22.21 H new ATOM 0 HG2 LYS A 6 -11.501 -8.122 -4.375 1.00 10.13 H new ATOM 0 HG3 LYS A 6 -12.517 -9.506 -4.725 1.00 10.13 H new ATOM 0 HD2 LYS A 6 -10.129 -10.761 -4.758 1.00 23.21 H new ATOM 0 HD3 LYS A 6 -9.696 -9.424 -3.711 1.00 23.21 H new ATOM 0 HE2 LYS A 6 -11.135 -10.085 -2.016 1.00 34.53 H new ATOM 0 HE3 LYS A 6 -12.275 -10.830 -3.119 1.00 34.53 H new ATOM 0 HZ1 LYS A 6 -11.099 -12.486 -1.824 1.00 31.55 H new ATOM 0 HZ2 LYS A 6 -10.707 -12.650 -3.468 1.00 31.55 H new ATOM 0 HZ3 LYS A 6 -9.602 -11.928 -2.399 1.00 31.55 H new ATOM 116 N THR A 7 -13.166 -6.923 -8.095 1.00 31.13 N ATOM 117 CA THR A 7 -14.538 -6.467 -8.277 1.00 12.23 C ATOM 118 C THR A 7 -15.499 -7.645 -8.391 1.00 42.11 C ATOM 119 O THR A 7 -15.078 -8.786 -8.583 1.00 1.25 O ATOM 120 CB THR A 7 -14.675 -5.584 -9.531 1.00 40.15 C ATOM 121 OG1 THR A 7 -13.381 -5.158 -9.974 1.00 15.20 O ATOM 122 CG2 THR A 7 -15.545 -4.369 -9.246 1.00 44.21 C ATOM 0 H THR A 7 -12.659 -7.091 -8.964 1.00 31.13 H new ATOM 0 HA THR A 7 -14.794 -5.877 -7.397 1.00 12.23 H new ATOM 0 HB THR A 7 -15.150 -6.175 -10.314 1.00 40.15 H new ATOM 0 HG1 THR A 7 -13.477 -4.598 -10.773 1.00 15.20 H new ATOM 0 HG21 THR A 7 -15.627 -3.761 -10.147 1.00 44.21 H new ATOM 0 HG22 THR A 7 -16.538 -4.697 -8.938 1.00 44.21 H new ATOM 0 HG23 THR A 7 -15.094 -3.778 -8.449 1.00 44.21 H new ATOM 130 N VAL A 8 -16.792 -7.362 -8.273 1.00 52.42 N ATOM 131 CA VAL A 8 -17.813 -8.398 -8.365 1.00 74.23 C ATOM 132 C VAL A 8 -17.724 -9.141 -9.693 1.00 61.35 C ATOM 133 O VAL A 8 -18.211 -10.264 -9.822 1.00 72.33 O ATOM 134 CB VAL A 8 -19.228 -7.808 -8.214 1.00 41.43 C ATOM 135 CG1 VAL A 8 -20.250 -8.915 -8.008 1.00 61.21 C ATOM 136 CG2 VAL A 8 -19.269 -6.812 -7.065 1.00 31.12 C ATOM 0 H VAL A 8 -17.157 -6.423 -8.113 1.00 52.42 H new ATOM 0 HA VAL A 8 -17.629 -9.096 -7.548 1.00 74.23 H new ATOM 0 HB VAL A 8 -19.482 -7.279 -9.133 1.00 41.43 H new ATOM 0 HG11 VAL A 8 -21.243 -8.478 -7.903 1.00 61.21 H new ATOM 0 HG12 VAL A 8 -20.237 -9.586 -8.867 1.00 61.21 H new ATOM 0 HG13 VAL A 8 -20.003 -9.475 -7.106 1.00 61.21 H new ATOM 0 HG21 VAL A 8 -20.276 -6.405 -6.972 1.00 31.12 H new ATOM 0 HG22 VAL A 8 -18.994 -7.315 -6.138 1.00 31.12 H new ATOM 0 HG23 VAL A 8 -18.567 -6.002 -7.261 1.00 31.12 H new ATOM 146 N SER A 9 -17.097 -8.507 -10.679 1.00 53.22 N ATOM 147 CA SER A 9 -16.946 -9.106 -12.000 1.00 34.41 C ATOM 148 C SER A 9 -15.741 -10.041 -12.038 1.00 33.25 C ATOM 149 O SER A 9 -15.306 -10.468 -13.106 1.00 52.22 O ATOM 150 CB SER A 9 -16.795 -8.017 -13.063 1.00 64.14 C ATOM 151 OG SER A 9 -17.885 -8.032 -13.968 1.00 70.43 O ATOM 0 H SER A 9 -16.685 -7.578 -10.588 1.00 53.22 H new ATOM 0 HA SER A 9 -17.843 -9.688 -12.212 1.00 34.41 H new ATOM 0 HB2 SER A 9 -16.732 -7.041 -12.582 1.00 64.14 H new ATOM 0 HB3 SER A 9 -15.863 -8.164 -13.609 1.00 64.14 H new ATOM 0 HG SER A 9 -17.765 -7.325 -14.636 1.00 70.43 H new ATOM 157 N ASN A 10 -15.207 -10.355 -10.862 1.00 22.12 N ATOM 158 CA ASN A 10 -14.051 -11.239 -10.759 1.00 13.00 C ATOM 159 C ASN A 10 -12.805 -10.574 -11.336 1.00 31.40 C ATOM 160 O ASN A 10 -11.886 -11.250 -11.799 1.00 43.44 O ATOM 161 CB ASN A 10 -14.324 -12.556 -11.488 1.00 33.33 C ATOM 162 CG ASN A 10 -14.154 -13.763 -10.585 1.00 3.32 C ATOM 163 OD1 ASN A 10 -13.271 -13.790 -9.727 1.00 31.10 O ATOM 164 ND2 ASN A 10 -15.000 -14.768 -10.775 1.00 33.03 N ATOM 0 H ASN A 10 -15.556 -10.011 -9.967 1.00 22.12 H new ATOM 0 HA ASN A 10 -13.875 -11.445 -9.703 1.00 13.00 H new ATOM 0 HB2 ASN A 10 -15.338 -12.544 -11.887 1.00 33.33 H new ATOM 0 HB3 ASN A 10 -13.648 -12.644 -12.339 1.00 33.33 H new ATOM 0 HD21 ASN A 10 -14.934 -15.606 -10.198 1.00 33.03 H new ATOM 0 HD22 ASN A 10 -15.716 -14.702 -11.498 1.00 33.03 H new ATOM 171 N LYS A 11 -12.781 -9.246 -11.304 1.00 21.31 N ATOM 172 CA LYS A 11 -11.648 -8.488 -11.821 1.00 62.53 C ATOM 173 C LYS A 11 -10.635 -8.202 -10.717 1.00 61.42 C ATOM 174 O LYS A 11 -10.676 -7.149 -10.081 1.00 31.42 O ATOM 175 CB LYS A 11 -12.127 -7.174 -12.441 1.00 73.02 C ATOM 176 CG LYS A 11 -12.849 -7.354 -13.765 1.00 54.23 C ATOM 177 CD LYS A 11 -13.076 -6.023 -14.462 1.00 50.41 C ATOM 178 CE LYS A 11 -13.394 -6.213 -15.937 1.00 43.34 C ATOM 179 NZ LYS A 11 -12.172 -6.119 -16.784 1.00 73.22 N ATOM 0 H LYS A 11 -13.534 -8.672 -10.925 1.00 21.31 H new ATOM 0 HA LYS A 11 -11.162 -9.089 -12.589 1.00 62.53 H new ATOM 0 HB2 LYS A 11 -12.793 -6.672 -11.739 1.00 73.02 H new ATOM 0 HB3 LYS A 11 -11.269 -6.519 -12.591 1.00 73.02 H new ATOM 0 HG2 LYS A 11 -12.266 -8.010 -14.412 1.00 54.23 H new ATOM 0 HG3 LYS A 11 -13.807 -7.844 -13.594 1.00 54.23 H new ATOM 0 HD2 LYS A 11 -13.896 -5.493 -13.977 1.00 50.41 H new ATOM 0 HD3 LYS A 11 -12.188 -5.400 -14.358 1.00 50.41 H new ATOM 0 HE2 LYS A 11 -13.865 -7.185 -16.085 1.00 43.34 H new ATOM 0 HE3 LYS A 11 -14.114 -5.459 -16.253 1.00 43.34 H new ATOM 0 HZ1 LYS A 11 -12.430 -6.254 -17.782 1.00 73.22 H new ATOM 0 HZ2 LYS A 11 -11.737 -5.182 -16.662 1.00 73.22 H new ATOM 0 HZ3 LYS A 11 -11.495 -6.855 -16.499 1.00 73.22 H new ATOM 193 N VAL A 12 -9.725 -9.146 -10.496 1.00 11.01 N ATOM 194 CA VAL A 12 -8.700 -8.994 -9.471 1.00 2.14 C ATOM 195 C VAL A 12 -7.429 -8.384 -10.051 1.00 24.23 C ATOM 196 O VAL A 12 -6.929 -8.832 -11.083 1.00 42.23 O ATOM 197 CB VAL A 12 -8.356 -10.345 -8.816 1.00 63.01 C ATOM 198 CG1 VAL A 12 -7.395 -10.146 -7.654 1.00 23.31 C ATOM 199 CG2 VAL A 12 -9.622 -11.052 -8.357 1.00 0.12 C ATOM 0 H VAL A 12 -9.677 -10.024 -11.013 1.00 11.01 H new ATOM 0 HA VAL A 12 -9.107 -8.325 -8.713 1.00 2.14 H new ATOM 0 HB VAL A 12 -7.865 -10.974 -9.558 1.00 63.01 H new ATOM 0 HG11 VAL A 12 -7.164 -11.111 -7.204 1.00 23.31 H new ATOM 0 HG12 VAL A 12 -6.476 -9.685 -8.017 1.00 23.31 H new ATOM 0 HG13 VAL A 12 -7.856 -9.499 -6.908 1.00 23.31 H new ATOM 0 HG21 VAL A 12 -9.360 -12.005 -7.897 1.00 0.12 H new ATOM 0 HG22 VAL A 12 -10.144 -10.429 -7.630 1.00 0.12 H new ATOM 0 HG23 VAL A 12 -10.271 -11.230 -9.215 1.00 0.12 H new ATOM 209 N ILE A 13 -6.910 -7.361 -9.380 1.00 31.21 N ATOM 210 CA ILE A 13 -5.696 -6.691 -9.828 1.00 62.12 C ATOM 211 C ILE A 13 -4.716 -6.500 -8.676 1.00 23.43 C ATOM 212 O ILE A 13 -5.019 -5.819 -7.697 1.00 52.20 O ATOM 213 CB ILE A 13 -6.008 -5.319 -10.454 1.00 12.11 C ATOM 214 CG1 ILE A 13 -7.128 -5.449 -11.488 1.00 52.22 C ATOM 215 CG2 ILE A 13 -4.758 -4.730 -11.090 1.00 50.11 C ATOM 216 CD1 ILE A 13 -6.752 -6.296 -12.683 1.00 62.33 C ATOM 0 H ILE A 13 -7.312 -6.978 -8.524 1.00 31.21 H new ATOM 0 HA ILE A 13 -5.243 -7.332 -10.585 1.00 62.12 H new ATOM 0 HB ILE A 13 -6.343 -4.644 -9.666 1.00 12.11 H new ATOM 0 HG12 ILE A 13 -8.006 -5.882 -11.008 1.00 52.22 H new ATOM 0 HG13 ILE A 13 -7.411 -4.454 -11.832 1.00 52.22 H new ATOM 0 HG21 ILE A 13 -4.995 -3.760 -11.528 1.00 50.11 H new ATOM 0 HG22 ILE A 13 -3.987 -4.606 -10.330 1.00 50.11 H new ATOM 0 HG23 ILE A 13 -4.395 -5.401 -11.869 1.00 50.11 H new ATOM 0 HD11 ILE A 13 -7.594 -6.344 -13.374 1.00 62.33 H new ATOM 0 HD12 ILE A 13 -5.893 -5.853 -13.187 1.00 62.33 H new ATOM 0 HD13 ILE A 13 -6.498 -7.302 -12.350 1.00 62.33 H new ATOM 228 N GLN A 14 -3.539 -7.106 -8.800 1.00 51.14 N ATOM 229 CA GLN A 14 -2.514 -7.001 -7.769 1.00 63.50 C ATOM 230 C GLN A 14 -1.430 -6.009 -8.178 1.00 23.44 C ATOM 231 O GLN A 14 -0.669 -6.257 -9.114 1.00 32.22 O ATOM 232 CB GLN A 14 -1.891 -8.372 -7.498 1.00 73.33 C ATOM 233 CG GLN A 14 -1.398 -9.075 -8.753 1.00 33.12 C ATOM 234 CD GLN A 14 -2.111 -10.389 -9.004 1.00 75.11 C ATOM 235 OE1 GLN A 14 -2.074 -11.298 -8.174 1.00 2.20 O ATOM 236 NE2 GLN A 14 -2.767 -10.497 -10.154 1.00 13.43 N ATOM 0 H GLN A 14 -3.272 -7.674 -9.604 1.00 51.14 H new ATOM 0 HA GLN A 14 -2.988 -6.638 -6.857 1.00 63.50 H new ATOM 0 HB2 GLN A 14 -1.057 -8.253 -6.807 1.00 73.33 H new ATOM 0 HB3 GLN A 14 -2.627 -9.005 -7.002 1.00 73.33 H new ATOM 0 HG2 GLN A 14 -1.540 -8.419 -9.612 1.00 33.12 H new ATOM 0 HG3 GLN A 14 -0.327 -9.258 -8.665 1.00 33.12 H new ATOM 0 HE21 GLN A 14 -2.772 -9.719 -10.813 1.00 13.43 H new ATOM 0 HE22 GLN A 14 -3.266 -11.358 -10.378 1.00 13.43 H new ATOM 245 N ILE A 15 -1.365 -4.887 -7.470 1.00 53.52 N ATOM 246 CA ILE A 15 -0.374 -3.858 -7.759 1.00 41.13 C ATOM 247 C ILE A 15 0.546 -3.629 -6.565 1.00 34.45 C ATOM 248 O ILE A 15 0.158 -3.851 -5.417 1.00 23.03 O ATOM 249 CB ILE A 15 -1.042 -2.524 -8.141 1.00 42.24 C ATOM 250 CG1 ILE A 15 -1.945 -2.037 -7.006 1.00 43.12 C ATOM 251 CG2 ILE A 15 -1.837 -2.679 -9.429 1.00 34.42 C ATOM 252 CD1 ILE A 15 -3.354 -2.582 -7.079 1.00 40.20 C ATOM 0 H ILE A 15 -1.987 -4.667 -6.692 1.00 53.52 H new ATOM 0 HA ILE A 15 0.214 -4.216 -8.604 1.00 41.13 H new ATOM 0 HB ILE A 15 -0.264 -1.779 -8.305 1.00 42.24 H new ATOM 0 HG12 ILE A 15 -1.502 -2.323 -6.052 1.00 43.12 H new ATOM 0 HG13 ILE A 15 -1.984 -0.948 -7.025 1.00 43.12 H new ATOM 0 HG21 ILE A 15 -2.303 -1.728 -9.686 1.00 34.42 H new ATOM 0 HG22 ILE A 15 -1.169 -2.985 -10.234 1.00 34.42 H new ATOM 0 HG23 ILE A 15 -2.609 -3.436 -9.291 1.00 34.42 H new ATOM 0 HD11 ILE A 15 -3.937 -2.195 -6.244 1.00 40.20 H new ATOM 0 HD12 ILE A 15 -3.815 -2.274 -8.017 1.00 40.20 H new ATOM 0 HD13 ILE A 15 -3.326 -3.670 -7.029 1.00 40.20 H new ATOM 264 N THR A 16 1.767 -3.182 -6.841 1.00 72.43 N ATOM 265 CA THR A 16 2.742 -2.923 -5.790 1.00 41.40 C ATOM 266 C THR A 16 3.332 -1.523 -5.921 1.00 62.21 C ATOM 267 O THR A 16 4.547 -1.359 -6.029 1.00 64.21 O ATOM 268 CB THR A 16 3.886 -3.954 -5.817 1.00 73.22 C ATOM 269 OG1 THR A 16 4.866 -3.625 -4.827 1.00 43.21 O ATOM 270 CG2 THR A 16 4.540 -4.001 -7.190 1.00 35.21 C ATOM 0 H THR A 16 2.104 -2.992 -7.785 1.00 72.43 H new ATOM 0 HA THR A 16 2.212 -3.005 -4.841 1.00 41.40 H new ATOM 0 HB THR A 16 3.466 -4.936 -5.599 1.00 73.22 H new ATOM 0 HG1 THR A 16 5.303 -2.781 -5.067 1.00 43.21 H new ATOM 0 HG21 THR A 16 5.345 -4.736 -7.185 1.00 35.21 H new ATOM 0 HG22 THR A 16 3.798 -4.281 -7.937 1.00 35.21 H new ATOM 0 HG23 THR A 16 4.947 -3.019 -7.433 1.00 35.21 H new ATOM 278 N SER A 17 2.464 -0.517 -5.910 1.00 42.43 N ATOM 279 CA SER A 17 2.900 0.870 -6.031 1.00 71.22 C ATOM 280 C SER A 17 1.746 1.828 -5.753 1.00 52.13 C ATOM 281 O SER A 17 1.219 2.465 -6.666 1.00 54.04 O ATOM 282 CB SER A 17 3.467 1.128 -7.428 1.00 44.22 C ATOM 283 OG SER A 17 3.611 2.517 -7.671 1.00 62.14 O ATOM 0 H SER A 17 1.455 -0.636 -5.819 1.00 42.43 H new ATOM 0 HA SER A 17 3.681 1.046 -5.291 1.00 71.22 H new ATOM 0 HB2 SER A 17 4.434 0.636 -7.528 1.00 44.22 H new ATOM 0 HB3 SER A 17 2.808 0.691 -8.178 1.00 44.22 H new ATOM 0 HG SER A 17 2.726 2.934 -7.719 1.00 62.14 H new ATOM 289 N LEU A 18 1.358 1.925 -4.487 1.00 10.45 N ATOM 290 CA LEU A 18 0.266 2.806 -4.086 1.00 70.11 C ATOM 291 C LEU A 18 0.797 4.035 -3.355 1.00 63.32 C ATOM 292 O LEU A 18 1.864 3.993 -2.741 1.00 31.11 O ATOM 293 CB LEU A 18 -0.720 2.053 -3.191 1.00 54.15 C ATOM 294 CG LEU A 18 -2.068 1.704 -3.824 1.00 31.42 C ATOM 295 CD1 LEU A 18 -2.930 2.948 -3.966 1.00 11.55 C ATOM 296 CD2 LEU A 18 -1.866 1.036 -5.176 1.00 45.13 C ATOM 0 H LEU A 18 1.783 1.405 -3.720 1.00 10.45 H new ATOM 0 HA LEU A 18 -0.250 3.137 -4.987 1.00 70.11 H new ATOM 0 HB2 LEU A 18 -0.246 1.129 -2.860 1.00 54.15 H new ATOM 0 HB3 LEU A 18 -0.904 2.654 -2.301 1.00 54.15 H new ATOM 0 HG LEU A 18 -2.584 1.003 -3.168 1.00 31.42 H new ATOM 0 HD11 LEU A 18 -3.885 2.679 -4.418 1.00 11.55 H new ATOM 0 HD12 LEU A 18 -3.104 3.384 -2.982 1.00 11.55 H new ATOM 0 HD13 LEU A 18 -2.420 3.674 -4.599 1.00 11.55 H new ATOM 0 HD21 LEU A 18 -2.836 0.795 -5.611 1.00 45.13 H new ATOM 0 HD22 LEU A 18 -1.329 1.713 -5.840 1.00 45.13 H new ATOM 0 HD23 LEU A 18 -1.289 0.121 -5.047 1.00 45.13 H new ATOM 308 N THR A 19 0.045 5.129 -3.424 1.00 24.03 N ATOM 309 CA THR A 19 0.440 6.369 -2.768 1.00 54.51 C ATOM 310 C THR A 19 0.104 6.336 -1.281 1.00 40.45 C ATOM 311 O THR A 19 -0.466 5.364 -0.786 1.00 12.44 O ATOM 312 CB THR A 19 -0.249 7.588 -3.411 1.00 41.12 C ATOM 313 OG1 THR A 19 -0.712 7.253 -4.724 1.00 44.12 O ATOM 314 CG2 THR A 19 0.706 8.770 -3.491 1.00 30.34 C ATOM 0 H THR A 19 -0.841 5.181 -3.927 1.00 24.03 H new ATOM 0 HA THR A 19 1.519 6.463 -2.892 1.00 54.51 H new ATOM 0 HB THR A 19 -1.098 7.868 -2.787 1.00 41.12 H new ATOM 0 HG1 THR A 19 -1.241 7.996 -5.084 1.00 44.12 H new ATOM 0 HG21 THR A 19 0.197 9.619 -3.948 1.00 30.34 H new ATOM 0 HG22 THR A 19 1.034 9.041 -2.488 1.00 30.34 H new ATOM 0 HG23 THR A 19 1.572 8.498 -4.094 1.00 30.34 H new ATOM 322 N ASP A 20 0.460 7.404 -0.576 1.00 25.35 N ATOM 323 CA ASP A 20 0.195 7.497 0.855 1.00 2.44 C ATOM 324 C ASP A 20 -0.651 8.727 1.172 1.00 61.32 C ATOM 325 O ASP A 20 -0.853 9.070 2.337 1.00 53.24 O ATOM 326 CB ASP A 20 1.509 7.552 1.637 1.00 51.32 C ATOM 327 CG ASP A 20 2.622 8.219 0.852 1.00 32.41 C ATOM 328 OD1 ASP A 20 2.402 9.339 0.346 1.00 20.31 O ATOM 329 OD2 ASP A 20 3.712 7.620 0.743 1.00 25.43 O ATOM 0 H ASP A 20 0.932 8.217 -0.972 1.00 25.35 H new ATOM 0 HA ASP A 20 -0.360 6.608 1.155 1.00 2.44 H new ATOM 0 HB2 ASP A 20 1.351 8.094 2.570 1.00 51.32 H new ATOM 0 HB3 ASP A 20 1.813 6.540 1.904 1.00 51.32 H new ATOM 334 N ASP A 21 -1.141 9.386 0.128 1.00 74.42 N ATOM 335 CA ASP A 21 -1.966 10.577 0.294 1.00 23.00 C ATOM 336 C ASP A 21 -3.449 10.225 0.230 1.00 43.13 C ATOM 337 O ASP A 21 -4.230 10.626 1.091 1.00 4.43 O ATOM 338 CB ASP A 21 -1.627 11.611 -0.781 1.00 12.44 C ATOM 339 CG ASP A 21 -0.992 12.861 -0.202 1.00 74.31 C ATOM 340 OD1 ASP A 21 0.031 12.735 0.502 1.00 25.32 O ATOM 341 OD2 ASP A 21 -1.519 13.964 -0.454 1.00 43.44 O ATOM 0 H ASP A 21 -0.981 9.116 -0.842 1.00 74.42 H new ATOM 0 HA ASP A 21 -1.755 11.002 1.275 1.00 23.00 H new ATOM 0 HB2 ASP A 21 -0.948 11.166 -1.508 1.00 12.44 H new ATOM 0 HB3 ASP A 21 -2.535 11.884 -1.318 1.00 12.44 H new ATOM 346 N ASN A 22 -3.829 9.473 -0.798 1.00 53.42 N ATOM 347 CA ASN A 22 -5.219 9.069 -0.976 1.00 31.20 C ATOM 348 C ASN A 22 -5.360 7.552 -0.889 1.00 4.14 C ATOM 349 O ASN A 22 -6.284 7.038 -0.258 1.00 72.23 O ATOM 350 CB ASN A 22 -5.748 9.564 -2.323 1.00 41.44 C ATOM 351 CG ASN A 22 -6.119 11.035 -2.294 1.00 21.54 C ATOM 352 OD1 ASN A 22 -6.236 11.635 -1.225 1.00 43.13 O ATOM 353 ND2 ASN A 22 -6.306 11.621 -3.470 1.00 55.21 N ATOM 0 H ASN A 22 -3.194 9.131 -1.520 1.00 53.42 H new ATOM 0 HA ASN A 22 -5.807 9.518 -0.175 1.00 31.20 H new ATOM 0 HB2 ASN A 22 -4.992 9.398 -3.090 1.00 41.44 H new ATOM 0 HB3 ASN A 22 -6.622 8.977 -2.605 1.00 41.44 H new ATOM 0 HD21 ASN A 22 -6.558 12.609 -3.513 1.00 55.21 H new ATOM 0 HD22 ASN A 22 -6.198 11.084 -4.330 1.00 55.21 H new ATOM 360 N THR A 23 -4.435 6.840 -1.525 1.00 60.13 N ATOM 361 CA THR A 23 -4.455 5.383 -1.521 1.00 32.35 C ATOM 362 C THR A 23 -5.738 4.849 -2.147 1.00 60.54 C ATOM 363 O THR A 23 -5.761 4.487 -3.324 1.00 41.34 O ATOM 364 CB THR A 23 -4.324 4.824 -0.091 1.00 75.31 C ATOM 365 OG1 THR A 23 -3.043 5.160 0.451 1.00 4.01 O ATOM 366 CG2 THR A 23 -4.504 3.313 -0.082 1.00 50.12 C ATOM 0 H THR A 23 -3.662 7.249 -2.050 1.00 60.13 H new ATOM 0 HA THR A 23 -3.601 5.053 -2.112 1.00 32.35 H new ATOM 0 HB THR A 23 -5.106 5.271 0.523 1.00 75.31 H new ATOM 0 HG1 THR A 23 -3.063 5.057 1.425 1.00 4.01 H new ATOM 0 HG21 THR A 23 -4.407 2.941 0.938 1.00 50.12 H new ATOM 0 HG22 THR A 23 -5.492 3.062 -0.468 1.00 50.12 H new ATOM 0 HG23 THR A 23 -3.742 2.852 -0.710 1.00 50.12 H new ATOM 374 N ILE A 24 -6.803 4.802 -1.355 1.00 34.21 N ATOM 375 CA ILE A 24 -8.090 4.313 -1.834 1.00 54.30 C ATOM 376 C ILE A 24 -8.760 5.334 -2.748 1.00 60.43 C ATOM 377 O ILE A 24 -9.244 4.992 -3.827 1.00 14.12 O ATOM 378 CB ILE A 24 -9.039 3.987 -0.666 1.00 12.25 C ATOM 379 CG1 ILE A 24 -8.348 3.061 0.338 1.00 54.51 C ATOM 380 CG2 ILE A 24 -10.321 3.352 -1.185 1.00 5.40 C ATOM 381 CD1 ILE A 24 -7.732 3.793 1.510 1.00 75.20 C ATOM 0 H ILE A 24 -6.801 5.097 -0.378 1.00 34.21 H new ATOM 0 HA ILE A 24 -7.891 3.400 -2.396 1.00 54.30 H new ATOM 0 HB ILE A 24 -9.297 4.916 -0.158 1.00 12.25 H new ATOM 0 HG12 ILE A 24 -9.073 2.338 0.712 1.00 54.51 H new ATOM 0 HG13 ILE A 24 -7.571 2.496 -0.176 1.00 54.51 H new ATOM 0 HG21 ILE A 24 -10.981 3.128 -0.347 1.00 5.40 H new ATOM 0 HG22 ILE A 24 -10.820 4.043 -1.865 1.00 5.40 H new ATOM 0 HG23 ILE A 24 -10.082 2.430 -1.715 1.00 5.40 H new ATOM 0 HD11 ILE A 24 -7.260 3.075 2.180 1.00 75.20 H new ATOM 0 HD12 ILE A 24 -6.983 4.496 1.147 1.00 75.20 H new ATOM 0 HD13 ILE A 24 -8.509 4.336 2.049 1.00 75.20 H new ATOM 393 N ALA A 25 -8.782 6.588 -2.310 1.00 43.11 N ATOM 394 CA ALA A 25 -9.388 7.659 -3.091 1.00 11.54 C ATOM 395 C ALA A 25 -8.730 7.781 -4.461 1.00 22.22 C ATOM 396 O ALA A 25 -9.401 8.032 -5.461 1.00 42.41 O ATOM 397 CB ALA A 25 -9.293 8.979 -2.339 1.00 33.23 C ATOM 0 H ALA A 25 -8.387 6.887 -1.418 1.00 43.11 H new ATOM 0 HA ALA A 25 -10.439 7.414 -3.243 1.00 11.54 H new ATOM 0 HB1 ALA A 25 -9.749 9.770 -2.934 1.00 33.23 H new ATOM 0 HB2 ALA A 25 -9.816 8.894 -1.386 1.00 33.23 H new ATOM 0 HB3 ALA A 25 -8.246 9.220 -2.158 1.00 33.23 H new ATOM 403 N GLU A 26 -7.413 7.601 -4.498 1.00 32.12 N ATOM 404 CA GLU A 26 -6.665 7.692 -5.746 1.00 52.22 C ATOM 405 C GLU A 26 -7.005 6.527 -6.671 1.00 33.23 C ATOM 406 O GLU A 26 -7.141 6.700 -7.883 1.00 23.13 O ATOM 407 CB GLU A 26 -5.161 7.712 -5.465 1.00 52.42 C ATOM 408 CG GLU A 26 -4.307 7.711 -6.722 1.00 12.32 C ATOM 409 CD GLU A 26 -3.460 8.962 -6.853 1.00 11.24 C ATOM 410 OE1 GLU A 26 -2.338 8.978 -6.303 1.00 55.54 O ATOM 411 OE2 GLU A 26 -3.918 9.924 -7.503 1.00 52.43 O ATOM 0 H GLU A 26 -6.843 7.392 -3.679 1.00 32.12 H new ATOM 0 HA GLU A 26 -6.947 8.621 -6.241 1.00 52.22 H new ATOM 0 HB2 GLU A 26 -4.922 8.596 -4.874 1.00 52.42 H new ATOM 0 HB3 GLU A 26 -4.902 6.844 -4.859 1.00 52.42 H new ATOM 0 HG2 GLU A 26 -3.657 6.836 -6.714 1.00 12.32 H new ATOM 0 HG3 GLU A 26 -4.953 7.621 -7.595 1.00 12.32 H new ATOM 418 N LEU A 27 -7.142 5.340 -6.090 1.00 65.45 N ATOM 419 CA LEU A 27 -7.465 4.144 -6.861 1.00 74.01 C ATOM 420 C LEU A 27 -8.869 4.240 -7.451 1.00 44.14 C ATOM 421 O LEU A 27 -9.070 4.005 -8.643 1.00 34.31 O ATOM 422 CB LEU A 27 -7.355 2.899 -5.979 1.00 0.20 C ATOM 423 CG LEU A 27 -6.308 1.868 -6.401 1.00 42.11 C ATOM 424 CD1 LEU A 27 -6.739 1.161 -7.677 1.00 4.31 C ATOM 425 CD2 LEU A 27 -4.951 2.532 -6.589 1.00 33.31 C ATOM 0 H LEU A 27 -7.035 5.180 -5.088 1.00 65.45 H new ATOM 0 HA LEU A 27 -6.750 4.066 -7.680 1.00 74.01 H new ATOM 0 HB2 LEU A 27 -7.132 3.218 -4.961 1.00 0.20 H new ATOM 0 HB3 LEU A 27 -8.328 2.409 -5.953 1.00 0.20 H new ATOM 0 HG LEU A 27 -6.219 1.124 -5.610 1.00 42.11 H new ATOM 0 HD11 LEU A 27 -5.982 0.431 -7.962 1.00 4.31 H new ATOM 0 HD12 LEU A 27 -7.688 0.652 -7.508 1.00 4.31 H new ATOM 0 HD13 LEU A 27 -6.857 1.893 -8.476 1.00 4.31 H new ATOM 0 HD21 LEU A 27 -4.218 1.783 -6.889 1.00 33.31 H new ATOM 0 HD22 LEU A 27 -5.025 3.298 -7.361 1.00 33.31 H new ATOM 0 HD23 LEU A 27 -4.638 2.991 -5.651 1.00 33.31 H new ATOM 437 N LYS A 28 -9.836 4.590 -6.610 1.00 61.42 N ATOM 438 CA LYS A 28 -11.221 4.721 -7.048 1.00 5.02 C ATOM 439 C LYS A 28 -11.370 5.867 -8.044 1.00 20.32 C ATOM 440 O LYS A 28 -12.109 5.760 -9.022 1.00 22.44 O ATOM 441 CB LYS A 28 -12.137 4.954 -5.845 1.00 13.12 C ATOM 442 CG LYS A 28 -11.872 6.264 -5.123 1.00 21.34 C ATOM 443 CD LYS A 28 -12.726 6.394 -3.872 1.00 63.04 C ATOM 444 CE LYS A 28 -14.205 6.487 -4.215 1.00 22.22 C ATOM 445 NZ LYS A 28 -15.040 6.730 -3.006 1.00 23.21 N ATOM 0 H LYS A 28 -9.686 4.788 -5.621 1.00 61.42 H new ATOM 0 HA LYS A 28 -11.510 3.793 -7.542 1.00 5.02 H new ATOM 0 HB2 LYS A 28 -13.174 4.937 -6.180 1.00 13.12 H new ATOM 0 HB3 LYS A 28 -12.016 4.130 -5.142 1.00 13.12 H new ATOM 0 HG2 LYS A 28 -10.818 6.325 -4.853 1.00 21.34 H new ATOM 0 HG3 LYS A 28 -12.078 7.098 -5.794 1.00 21.34 H new ATOM 0 HD2 LYS A 28 -12.555 5.535 -3.223 1.00 63.04 H new ATOM 0 HD3 LYS A 28 -12.424 7.281 -3.314 1.00 63.04 H new ATOM 0 HE2 LYS A 28 -14.362 7.292 -4.932 1.00 22.22 H new ATOM 0 HE3 LYS A 28 -14.525 5.564 -4.698 1.00 22.22 H new ATOM 0 HZ1 LYS A 28 -15.834 7.356 -3.252 1.00 23.21 H new ATOM 0 HZ2 LYS A 28 -15.410 5.825 -2.652 1.00 23.21 H new ATOM 0 HZ3 LYS A 28 -14.461 7.180 -2.269 1.00 23.21 H new ATOM 459 N GLY A 29 -10.662 6.963 -7.789 1.00 30.03 N ATOM 460 CA GLY A 29 -10.729 8.112 -8.673 1.00 33.22 C ATOM 461 C GLY A 29 -10.115 7.835 -10.031 1.00 11.23 C ATOM 462 O GLY A 29 -10.571 8.362 -11.046 1.00 20.30 O ATOM 0 H GLY A 29 -10.043 7.076 -6.986 1.00 30.03 H new ATOM 0 HA2 GLY A 29 -11.770 8.407 -8.802 1.00 33.22 H new ATOM 0 HA3 GLY A 29 -10.214 8.954 -8.210 1.00 33.22 H new ATOM 466 N LYS A 30 -9.076 7.008 -10.051 1.00 23.24 N ATOM 467 CA LYS A 30 -8.396 6.662 -11.293 1.00 74.44 C ATOM 468 C LYS A 30 -9.252 5.723 -12.138 1.00 71.00 C ATOM 469 O LYS A 30 -9.265 5.814 -13.366 1.00 43.34 O ATOM 470 CB LYS A 30 -7.045 6.008 -10.995 1.00 73.52 C ATOM 471 CG LYS A 30 -5.935 7.005 -10.716 1.00 0.54 C ATOM 472 CD LYS A 30 -5.141 7.323 -11.972 1.00 31.22 C ATOM 473 CE LYS A 30 -5.087 8.820 -12.233 1.00 41.15 C ATOM 474 NZ LYS A 30 -4.680 9.124 -13.633 1.00 41.23 N ATOM 0 H LYS A 30 -8.686 6.564 -9.220 1.00 23.24 H new ATOM 0 HA LYS A 30 -8.231 7.581 -11.856 1.00 74.44 H new ATOM 0 HB2 LYS A 30 -7.153 5.347 -10.135 1.00 73.52 H new ATOM 0 HB3 LYS A 30 -6.758 5.385 -11.842 1.00 73.52 H new ATOM 0 HG2 LYS A 30 -6.362 7.923 -10.313 1.00 0.54 H new ATOM 0 HG3 LYS A 30 -5.267 6.603 -9.954 1.00 0.54 H new ATOM 0 HD2 LYS A 30 -4.128 6.933 -11.872 1.00 31.22 H new ATOM 0 HD3 LYS A 30 -5.593 6.820 -12.827 1.00 31.22 H new ATOM 0 HE2 LYS A 30 -6.065 9.259 -12.036 1.00 41.15 H new ATOM 0 HE3 LYS A 30 -4.384 9.284 -11.541 1.00 41.15 H new ATOM 0 HZ1 LYS A 30 -4.655 10.154 -13.771 1.00 41.23 H new ATOM 0 HZ2 LYS A 30 -3.736 8.727 -13.814 1.00 41.23 H new ATOM 0 HZ3 LYS A 30 -5.365 8.703 -14.293 1.00 41.23 H new ATOM 488 N LEU A 31 -9.967 4.822 -11.473 1.00 10.42 N ATOM 489 CA LEU A 31 -10.828 3.867 -12.163 1.00 4.54 C ATOM 490 C LEU A 31 -12.027 4.570 -12.791 1.00 0.14 C ATOM 491 O LEU A 31 -12.397 4.287 -13.929 1.00 53.14 O ATOM 492 CB LEU A 31 -11.306 2.787 -11.191 1.00 11.53 C ATOM 493 CG LEU A 31 -11.699 1.448 -11.816 1.00 2.43 C ATOM 494 CD1 LEU A 31 -11.659 0.341 -10.774 1.00 52.10 C ATOM 495 CD2 LEU A 31 -13.080 1.539 -12.448 1.00 12.54 C ATOM 0 H LEU A 31 -9.968 4.733 -10.457 1.00 10.42 H new ATOM 0 HA LEU A 31 -10.247 3.400 -12.958 1.00 4.54 H new ATOM 0 HB2 LEU A 31 -10.516 2.607 -10.462 1.00 11.53 H new ATOM 0 HB3 LEU A 31 -12.164 3.175 -10.642 1.00 11.53 H new ATOM 0 HG LEU A 31 -10.979 1.209 -12.599 1.00 2.43 H new ATOM 0 HD11 LEU A 31 -11.942 -0.605 -11.237 1.00 52.10 H new ATOM 0 HD12 LEU A 31 -10.651 0.259 -10.368 1.00 52.10 H new ATOM 0 HD13 LEU A 31 -12.356 0.574 -9.969 1.00 52.10 H new ATOM 0 HD21 LEU A 31 -13.343 0.577 -12.888 1.00 12.54 H new ATOM 0 HD22 LEU A 31 -13.813 1.802 -11.685 1.00 12.54 H new ATOM 0 HD23 LEU A 31 -13.075 2.304 -13.225 1.00 12.54 H new ATOM 507 N GLU A 32 -12.628 5.488 -12.040 1.00 40.44 N ATOM 508 CA GLU A 32 -13.785 6.232 -12.525 1.00 43.32 C ATOM 509 C GLU A 32 -13.390 7.172 -13.661 1.00 73.11 C ATOM 510 O GLU A 32 -14.127 7.329 -14.634 1.00 13.23 O ATOM 511 CB GLU A 32 -14.420 7.031 -11.385 1.00 44.10 C ATOM 512 CG GLU A 32 -13.479 8.045 -10.755 1.00 34.22 C ATOM 513 CD GLU A 32 -14.111 8.781 -9.590 1.00 15.14 C ATOM 514 OE1 GLU A 32 -14.745 8.117 -8.743 1.00 14.13 O ATOM 515 OE2 GLU A 32 -13.973 10.020 -9.524 1.00 43.35 O ATOM 0 H GLU A 32 -12.333 5.734 -11.095 1.00 40.44 H new ATOM 0 HA GLU A 32 -14.512 5.515 -12.906 1.00 43.32 H new ATOM 0 HB2 GLU A 32 -15.300 7.551 -11.763 1.00 44.10 H new ATOM 0 HB3 GLU A 32 -14.764 6.340 -10.616 1.00 44.10 H new ATOM 0 HG2 GLU A 32 -12.578 7.536 -10.413 1.00 34.22 H new ATOM 0 HG3 GLU A 32 -13.169 8.767 -11.511 1.00 34.22 H new ATOM 522 N GLU A 33 -12.223 7.794 -13.528 1.00 62.24 N ATOM 523 CA GLU A 33 -11.731 8.719 -14.543 1.00 33.12 C ATOM 524 C GLU A 33 -11.380 7.978 -15.830 1.00 4.31 C ATOM 525 O GLU A 33 -11.565 8.500 -16.929 1.00 71.13 O ATOM 526 CB GLU A 33 -10.506 9.474 -14.025 1.00 4.30 C ATOM 527 CG GLU A 33 -10.262 10.797 -14.732 1.00 14.21 C ATOM 528 CD GLU A 33 -11.438 11.747 -14.613 1.00 14.12 C ATOM 529 OE1 GLU A 33 -11.519 12.466 -13.595 1.00 23.14 O ATOM 530 OE2 GLU A 33 -12.278 11.772 -15.537 1.00 21.43 O ATOM 0 H GLU A 33 -11.601 7.675 -12.728 1.00 62.24 H new ATOM 0 HA GLU A 33 -12.524 9.434 -14.761 1.00 33.12 H new ATOM 0 HB2 GLU A 33 -10.628 9.659 -12.958 1.00 4.30 H new ATOM 0 HB3 GLU A 33 -9.625 8.842 -14.140 1.00 4.30 H new ATOM 0 HG2 GLU A 33 -9.374 11.270 -14.313 1.00 14.21 H new ATOM 0 HG3 GLU A 33 -10.057 10.609 -15.786 1.00 14.21 H new ATOM 537 N SER A 34 -10.870 6.759 -15.684 1.00 13.31 N ATOM 538 CA SER A 34 -10.488 5.948 -16.834 1.00 30.24 C ATOM 539 C SER A 34 -11.705 5.610 -17.689 1.00 35.33 C ATOM 540 O SER A 34 -11.663 5.712 -18.914 1.00 74.42 O ATOM 541 CB SER A 34 -9.802 4.661 -16.371 1.00 33.11 C ATOM 542 OG SER A 34 -9.382 3.881 -17.477 1.00 2.01 O ATOM 0 H SER A 34 -10.712 6.312 -14.781 1.00 13.31 H new ATOM 0 HA SER A 34 -9.790 6.526 -17.440 1.00 30.24 H new ATOM 0 HB2 SER A 34 -8.942 4.907 -15.748 1.00 33.11 H new ATOM 0 HB3 SER A 34 -10.488 4.082 -15.753 1.00 33.11 H new ATOM 0 HG SER A 34 -8.945 3.065 -17.155 1.00 2.01 H new ATOM 548 N GLU A 35 -12.789 5.207 -17.032 1.00 22.21 N ATOM 549 CA GLU A 35 -14.018 4.853 -17.732 1.00 20.43 C ATOM 550 C GLU A 35 -14.866 6.092 -18.002 1.00 75.21 C ATOM 551 O GLU A 35 -15.897 6.018 -18.670 1.00 11.21 O ATOM 552 CB GLU A 35 -14.822 3.839 -16.915 1.00 71.21 C ATOM 553 CG GLU A 35 -14.337 2.408 -17.073 1.00 64.33 C ATOM 554 CD GLU A 35 -14.960 1.709 -18.266 1.00 30.42 C ATOM 555 OE1 GLU A 35 -15.009 2.319 -19.354 1.00 4.43 O ATOM 556 OE2 GLU A 35 -15.399 0.550 -18.110 1.00 72.23 O ATOM 0 H GLU A 35 -12.840 5.118 -16.017 1.00 22.21 H new ATOM 0 HA GLU A 35 -13.746 4.405 -18.688 1.00 20.43 H new ATOM 0 HB2 GLU A 35 -14.775 4.115 -15.862 1.00 71.21 H new ATOM 0 HB3 GLU A 35 -15.869 3.894 -17.213 1.00 71.21 H new ATOM 0 HG2 GLU A 35 -13.252 2.406 -17.181 1.00 64.33 H new ATOM 0 HG3 GLU A 35 -14.568 1.848 -16.167 1.00 64.33 H new ATOM 563 N GLY A 36 -14.425 7.231 -17.477 1.00 64.30 N ATOM 564 CA GLY A 36 -15.155 8.470 -17.672 1.00 23.35 C ATOM 565 C GLY A 36 -16.170 8.722 -16.575 1.00 55.42 C ATOM 566 O GLY A 36 -16.282 9.839 -16.069 1.00 53.42 O ATOM 0 H GLY A 36 -13.575 7.318 -16.920 1.00 64.30 H new ATOM 0 HA2 GLY A 36 -14.451 9.301 -17.710 1.00 23.35 H new ATOM 0 HA3 GLY A 36 -15.665 8.440 -18.635 1.00 23.35 H new ATOM 570 N ILE A 37 -16.913 7.684 -16.208 1.00 74.34 N ATOM 571 CA ILE A 37 -17.925 7.799 -15.166 1.00 13.14 C ATOM 572 C ILE A 37 -17.918 6.576 -14.254 1.00 45.53 C ATOM 573 O ILE A 37 -17.504 5.484 -14.643 1.00 50.03 O ATOM 574 CB ILE A 37 -19.334 7.970 -15.764 1.00 41.24 C ATOM 575 CG1 ILE A 37 -19.571 6.938 -16.869 1.00 32.04 C ATOM 576 CG2 ILE A 37 -19.512 9.381 -16.304 1.00 12.51 C ATOM 577 CD1 ILE A 37 -21.012 6.489 -16.976 1.00 64.25 C ATOM 0 H ILE A 37 -16.833 6.753 -16.617 1.00 74.34 H new ATOM 0 HA ILE A 37 -17.676 8.686 -14.583 1.00 13.14 H new ATOM 0 HB ILE A 37 -20.069 7.807 -14.976 1.00 41.24 H new ATOM 0 HG12 ILE A 37 -19.259 7.361 -17.824 1.00 32.04 H new ATOM 0 HG13 ILE A 37 -18.940 6.068 -16.684 1.00 32.04 H new ATOM 0 HG21 ILE A 37 -20.513 9.487 -16.723 1.00 12.51 H new ATOM 0 HG22 ILE A 37 -19.380 10.100 -15.495 1.00 12.51 H new ATOM 0 HG23 ILE A 37 -18.771 9.569 -17.081 1.00 12.51 H new ATOM 0 HD11 ILE A 37 -21.107 5.758 -17.779 1.00 64.25 H new ATOM 0 HD12 ILE A 37 -21.323 6.036 -16.035 1.00 64.25 H new ATOM 0 HD13 ILE A 37 -21.646 7.349 -17.192 1.00 64.25 H new ATOM 589 N PRO A 38 -18.387 6.762 -13.012 1.00 32.23 N ATOM 590 CA PRO A 38 -18.447 5.684 -12.019 1.00 53.53 C ATOM 591 C PRO A 38 -19.498 4.635 -12.366 1.00 14.45 C ATOM 592 O PRO A 38 -20.595 4.966 -12.816 1.00 24.13 O ATOM 593 CB PRO A 38 -18.825 6.413 -10.727 1.00 45.21 C ATOM 594 CG PRO A 38 -19.538 7.641 -11.179 1.00 24.22 C ATOM 595 CD PRO A 38 -18.896 8.037 -12.480 1.00 13.11 C ATOM 0 HA PRO A 38 -17.508 5.135 -11.955 1.00 53.53 H new ATOM 0 HB2 PRO A 38 -19.463 5.795 -10.096 1.00 45.21 H new ATOM 0 HB3 PRO A 38 -17.941 6.662 -10.140 1.00 45.21 H new ATOM 0 HG2 PRO A 38 -20.602 7.448 -11.312 1.00 24.22 H new ATOM 0 HG3 PRO A 38 -19.449 8.438 -10.441 1.00 24.22 H new ATOM 0 HD2 PRO A 38 -19.614 8.497 -13.159 1.00 13.11 H new ATOM 0 HD3 PRO A 38 -18.093 8.758 -12.329 1.00 13.11 H new ATOM 603 N GLY A 39 -19.156 3.368 -12.152 1.00 14.33 N ATOM 604 CA GLY A 39 -20.082 2.290 -12.447 1.00 11.34 C ATOM 605 C GLY A 39 -21.442 2.504 -11.812 1.00 22.34 C ATOM 606 O GLY A 39 -22.472 2.326 -12.460 1.00 42.24 O ATOM 0 H GLY A 39 -18.255 3.069 -11.780 1.00 14.33 H new ATOM 0 HA2 GLY A 39 -20.199 2.201 -13.527 1.00 11.34 H new ATOM 0 HA3 GLY A 39 -19.663 1.348 -12.093 1.00 11.34 H new ATOM 610 N ASN A 40 -21.445 2.884 -10.538 1.00 53.32 N ATOM 611 CA ASN A 40 -22.689 3.120 -9.814 1.00 73.13 C ATOM 612 C ASN A 40 -22.413 3.449 -8.350 1.00 41.25 C ATOM 613 O ASN A 40 -22.625 4.577 -7.907 1.00 42.40 O ATOM 614 CB ASN A 40 -23.599 1.894 -9.910 1.00 33.52 C ATOM 615 CG ASN A 40 -24.981 2.238 -10.431 1.00 40.14 C ATOM 616 OD1 ASN A 40 -25.151 2.557 -11.608 1.00 44.32 O ATOM 617 ND2 ASN A 40 -25.977 2.175 -9.555 1.00 63.00 N ATOM 0 H ASN A 40 -20.601 3.035 -9.986 1.00 53.32 H new ATOM 0 HA ASN A 40 -23.190 3.973 -10.271 1.00 73.13 H new ATOM 0 HB2 ASN A 40 -23.140 1.155 -10.567 1.00 33.52 H new ATOM 0 HB3 ASN A 40 -23.689 1.434 -8.926 1.00 33.52 H new ATOM 0 HD21 ASN A 40 -26.929 2.396 -9.848 1.00 63.00 H new ATOM 0 HD22 ASN A 40 -25.790 1.906 -8.589 1.00 63.00 H new ATOM 624 N MET A 41 -21.938 2.456 -7.606 1.00 12.13 N ATOM 625 CA MET A 41 -21.631 2.641 -6.192 1.00 61.02 C ATOM 626 C MET A 41 -20.125 2.741 -5.972 1.00 22.33 C ATOM 627 O MET A 41 -19.655 3.579 -5.202 1.00 12.21 O ATOM 628 CB MET A 41 -22.203 1.486 -5.369 1.00 32.35 C ATOM 629 CG MET A 41 -23.602 1.753 -4.837 1.00 0.02 C ATOM 630 SD MET A 41 -24.265 0.364 -3.897 1.00 40.31 S ATOM 631 CE MET A 41 -24.865 1.202 -2.432 1.00 51.44 C ATOM 0 H MET A 41 -21.757 1.516 -7.958 1.00 12.13 H new ATOM 0 HA MET A 41 -22.091 3.573 -5.864 1.00 61.02 H new ATOM 0 HB2 MET A 41 -22.223 0.587 -5.985 1.00 32.35 H new ATOM 0 HB3 MET A 41 -21.537 1.283 -4.530 1.00 32.35 H new ATOM 0 HG2 MET A 41 -23.582 2.639 -4.203 1.00 0.02 H new ATOM 0 HG3 MET A 41 -24.268 1.973 -5.671 1.00 0.02 H new ATOM 0 HE1 MET A 41 -25.752 0.691 -2.058 1.00 51.44 H new ATOM 0 HE2 MET A 41 -24.090 1.194 -1.665 1.00 51.44 H new ATOM 0 HE3 MET A 41 -25.118 2.233 -2.680 1.00 51.44 H new ATOM 641 N ILE A 42 -19.374 1.881 -6.651 1.00 63.33 N ATOM 642 CA ILE A 42 -17.921 1.874 -6.529 1.00 72.44 C ATOM 643 C ILE A 42 -17.492 1.889 -5.066 1.00 52.32 C ATOM 644 O ILE A 42 -16.740 2.765 -4.639 1.00 2.02 O ATOM 645 CB ILE A 42 -17.290 3.079 -7.251 1.00 22.11 C ATOM 646 CG1 ILE A 42 -17.915 3.257 -8.636 1.00 32.11 C ATOM 647 CG2 ILE A 42 -15.783 2.899 -7.363 1.00 52.21 C ATOM 648 CD1 ILE A 42 -17.716 2.066 -9.547 1.00 21.45 C ATOM 0 H ILE A 42 -19.747 1.180 -7.291 1.00 63.33 H new ATOM 0 HA ILE A 42 -17.569 0.955 -6.998 1.00 72.44 H new ATOM 0 HB ILE A 42 -17.487 3.978 -6.667 1.00 22.11 H new ATOM 0 HG12 ILE A 42 -18.983 3.443 -8.522 1.00 32.11 H new ATOM 0 HG13 ILE A 42 -17.486 4.141 -9.108 1.00 32.11 H new ATOM 0 HG21 ILE A 42 -15.351 3.759 -7.876 1.00 52.21 H new ATOM 0 HG22 ILE A 42 -15.351 2.817 -6.366 1.00 52.21 H new ATOM 0 HG23 ILE A 42 -15.566 1.993 -7.928 1.00 52.21 H new ATOM 0 HD11 ILE A 42 -18.185 2.263 -10.511 1.00 21.45 H new ATOM 0 HD12 ILE A 42 -16.650 1.892 -9.691 1.00 21.45 H new ATOM 0 HD13 ILE A 42 -18.170 1.183 -9.096 1.00 21.45 H new ATOM 660 N ARG A 43 -17.974 0.914 -4.303 1.00 75.23 N ATOM 661 CA ARG A 43 -17.640 0.815 -2.888 1.00 35.13 C ATOM 662 C ARG A 43 -17.012 -0.539 -2.571 1.00 2.13 C ATOM 663 O ARG A 43 -17.583 -1.587 -2.875 1.00 22.12 O ATOM 664 CB ARG A 43 -18.891 1.022 -2.031 1.00 70.41 C ATOM 665 CG ARG A 43 -19.082 2.457 -1.569 1.00 32.22 C ATOM 666 CD ARG A 43 -20.326 3.079 -2.184 1.00 45.53 C ATOM 667 NE ARG A 43 -21.508 2.880 -1.351 1.00 22.35 N ATOM 668 CZ ARG A 43 -21.727 3.537 -0.217 1.00 73.22 C ATOM 669 NH1 ARG A 43 -20.849 4.432 0.215 1.00 75.40 N ATOM 670 NH2 ARG A 43 -22.827 3.300 0.486 1.00 32.22 N ATOM 0 H ARG A 43 -18.597 0.181 -4.641 1.00 75.23 H new ATOM 0 HA ARG A 43 -16.915 1.596 -2.656 1.00 35.13 H new ATOM 0 HB2 ARG A 43 -19.767 0.713 -2.601 1.00 70.41 H new ATOM 0 HB3 ARG A 43 -18.834 0.372 -1.157 1.00 70.41 H new ATOM 0 HG2 ARG A 43 -19.160 2.483 -0.482 1.00 32.22 H new ATOM 0 HG3 ARG A 43 -18.207 3.047 -1.840 1.00 32.22 H new ATOM 0 HD2 ARG A 43 -20.162 4.147 -2.331 1.00 45.53 H new ATOM 0 HD3 ARG A 43 -20.499 2.644 -3.168 1.00 45.53 H new ATOM 0 HE ARG A 43 -22.204 2.199 -1.656 1.00 22.35 H new ATOM 0 HH11 ARG A 43 -20.003 4.618 -0.324 1.00 75.40 H new ATOM 0 HH12 ARG A 43 -21.020 4.935 1.086 1.00 75.40 H new ATOM 0 HH21 ARG A 43 -23.505 2.613 0.156 1.00 32.22 H new ATOM 0 HH22 ARG A 43 -22.995 3.805 1.356 1.00 32.22 H new ATOM 684 N LEU A 44 -15.833 -0.509 -1.959 1.00 32.14 N ATOM 685 CA LEU A 44 -15.126 -1.734 -1.600 1.00 40.34 C ATOM 686 C LEU A 44 -15.210 -1.992 -0.099 1.00 51.04 C ATOM 687 O LEU A 44 -15.409 -1.069 0.690 1.00 54.51 O ATOM 688 CB LEU A 44 -13.661 -1.645 -2.033 1.00 34.31 C ATOM 689 CG LEU A 44 -12.865 -0.467 -1.470 1.00 33.40 C ATOM 690 CD1 LEU A 44 -11.594 -0.957 -0.794 1.00 41.30 C ATOM 691 CD2 LEU A 44 -12.536 0.529 -2.572 1.00 10.10 C ATOM 0 H LEU A 44 -15.347 0.350 -1.701 1.00 32.14 H new ATOM 0 HA LEU A 44 -15.603 -2.565 -2.119 1.00 40.34 H new ATOM 0 HB2 LEU A 44 -13.160 -2.568 -1.742 1.00 34.31 H new ATOM 0 HB3 LEU A 44 -13.627 -1.594 -3.121 1.00 34.31 H new ATOM 0 HG LEU A 44 -13.478 0.038 -0.723 1.00 33.40 H new ATOM 0 HD11 LEU A 44 -11.040 -0.105 -0.399 1.00 41.30 H new ATOM 0 HD12 LEU A 44 -11.853 -1.631 0.022 1.00 41.30 H new ATOM 0 HD13 LEU A 44 -10.977 -1.486 -1.520 1.00 41.30 H new ATOM 0 HD21 LEU A 44 -11.969 1.361 -2.153 1.00 10.10 H new ATOM 0 HD22 LEU A 44 -11.942 0.037 -3.342 1.00 10.10 H new ATOM 0 HD23 LEU A 44 -13.460 0.904 -3.011 1.00 10.10 H new ATOM 703 N VAL A 45 -15.055 -3.254 0.288 1.00 1.04 N ATOM 704 CA VAL A 45 -15.110 -3.634 1.695 1.00 40.21 C ATOM 705 C VAL A 45 -13.753 -4.128 2.184 1.00 34.41 C ATOM 706 O VAL A 45 -13.232 -5.130 1.693 1.00 42.55 O ATOM 707 CB VAL A 45 -16.163 -4.731 1.939 1.00 22.22 C ATOM 708 CG1 VAL A 45 -16.338 -4.981 3.429 1.00 14.34 C ATOM 709 CG2 VAL A 45 -17.487 -4.351 1.294 1.00 31.41 C ATOM 0 H VAL A 45 -14.890 -4.030 -0.353 1.00 1.04 H new ATOM 0 HA VAL A 45 -15.391 -2.741 2.254 1.00 40.21 H new ATOM 0 HB VAL A 45 -15.813 -5.655 1.479 1.00 22.22 H new ATOM 0 HG11 VAL A 45 -17.086 -5.759 3.582 1.00 14.34 H new ATOM 0 HG12 VAL A 45 -15.388 -5.301 3.858 1.00 14.34 H new ATOM 0 HG13 VAL A 45 -16.665 -4.062 3.916 1.00 14.34 H new ATOM 0 HG21 VAL A 45 -18.219 -5.137 1.476 1.00 31.41 H new ATOM 0 HG22 VAL A 45 -17.845 -3.415 1.723 1.00 31.41 H new ATOM 0 HG23 VAL A 45 -17.347 -4.228 0.220 1.00 31.41 H new ATOM 719 N TYR A 46 -13.187 -3.421 3.155 1.00 10.31 N ATOM 720 CA TYR A 46 -11.889 -3.786 3.710 1.00 34.53 C ATOM 721 C TYR A 46 -12.050 -4.484 5.057 1.00 32.25 C ATOM 722 O TYR A 46 -12.519 -3.886 6.025 1.00 35.44 O ATOM 723 CB TYR A 46 -11.010 -2.545 3.868 1.00 15.43 C ATOM 724 CG TYR A 46 -9.573 -2.763 3.453 1.00 72.13 C ATOM 725 CD1 TYR A 46 -8.891 -3.916 3.820 1.00 63.34 C ATOM 726 CD2 TYR A 46 -8.898 -1.816 2.692 1.00 30.31 C ATOM 727 CE1 TYR A 46 -7.577 -4.119 3.443 1.00 74.53 C ATOM 728 CE2 TYR A 46 -7.585 -2.012 2.309 1.00 10.24 C ATOM 729 CZ TYR A 46 -6.929 -3.165 2.688 1.00 40.45 C ATOM 730 OH TYR A 46 -5.621 -3.364 2.309 1.00 51.11 O ATOM 0 H TYR A 46 -13.607 -2.591 3.575 1.00 10.31 H new ATOM 0 HA TYR A 46 -11.408 -4.477 3.018 1.00 34.53 H new ATOM 0 HB2 TYR A 46 -11.432 -1.734 3.274 1.00 15.43 H new ATOM 0 HB3 TYR A 46 -11.034 -2.224 4.909 1.00 15.43 H new ATOM 0 HD1 TYR A 46 -9.396 -4.667 4.410 1.00 63.34 H new ATOM 0 HD2 TYR A 46 -9.408 -0.912 2.395 1.00 30.31 H new ATOM 0 HE1 TYR A 46 -7.061 -5.020 3.738 1.00 74.53 H new ATOM 0 HE2 TYR A 46 -7.075 -1.267 1.716 1.00 10.24 H new ATOM 0 HH TYR A 46 -5.313 -2.598 1.781 1.00 51.11 H new ATOM 740 N GLN A 47 -11.657 -5.753 5.110 1.00 4.43 N ATOM 741 CA GLN A 47 -11.757 -6.533 6.338 1.00 2.51 C ATOM 742 C GLN A 47 -13.188 -6.538 6.864 1.00 74.40 C ATOM 743 O GLN A 47 -13.416 -6.540 8.073 1.00 73.31 O ATOM 744 CB GLN A 47 -10.812 -5.971 7.402 1.00 33.24 C ATOM 745 CG GLN A 47 -10.032 -7.041 8.149 1.00 73.30 C ATOM 746 CD GLN A 47 -8.544 -6.758 8.188 1.00 4.35 C ATOM 747 OE1 GLN A 47 -8.069 -5.983 9.020 1.00 73.12 O ATOM 748 NE2 GLN A 47 -7.797 -7.385 7.287 1.00 31.44 N ATOM 0 H GLN A 47 -11.267 -6.262 4.317 1.00 4.43 H new ATOM 0 HA GLN A 47 -11.469 -7.560 6.112 1.00 2.51 H new ATOM 0 HB2 GLN A 47 -10.110 -5.286 6.927 1.00 33.24 H new ATOM 0 HB3 GLN A 47 -11.391 -5.388 8.119 1.00 33.24 H new ATOM 0 HG2 GLN A 47 -10.411 -7.116 9.168 1.00 73.30 H new ATOM 0 HG3 GLN A 47 -10.202 -8.007 7.674 1.00 73.30 H new ATOM 0 HE21 GLN A 47 -8.232 -8.019 6.616 1.00 31.44 H new ATOM 0 HE22 GLN A 47 -6.789 -7.233 7.266 1.00 31.44 H new ATOM 757 N GLY A 48 -14.151 -6.541 5.946 1.00 1.25 N ATOM 758 CA GLY A 48 -15.548 -6.546 6.337 1.00 14.14 C ATOM 759 C GLY A 48 -16.056 -5.163 6.694 1.00 42.44 C ATOM 760 O GLY A 48 -17.208 -5.000 7.095 1.00 11.24 O ATOM 0 H GLY A 48 -13.988 -6.540 4.939 1.00 1.25 H new ATOM 0 HA2 GLY A 48 -16.148 -6.951 5.522 1.00 14.14 H new ATOM 0 HA3 GLY A 48 -15.680 -7.210 7.191 1.00 14.14 H new ATOM 764 N LYS A 49 -15.193 -4.162 6.548 1.00 34.32 N ATOM 765 CA LYS A 49 -15.559 -2.785 6.858 1.00 71.14 C ATOM 766 C LYS A 49 -15.824 -1.993 5.581 1.00 15.24 C ATOM 767 O LYS A 49 -15.309 -2.327 4.515 1.00 3.42 O ATOM 768 CB LYS A 49 -14.450 -2.111 7.668 1.00 44.23 C ATOM 769 CG LYS A 49 -14.886 -1.684 9.059 1.00 42.35 C ATOM 770 CD LYS A 49 -15.178 -2.883 9.944 1.00 22.33 C ATOM 771 CE LYS A 49 -13.913 -3.669 10.253 1.00 22.31 C ATOM 772 NZ LYS A 49 -14.130 -4.666 11.338 1.00 1.21 N ATOM 0 H LYS A 49 -14.235 -4.279 6.217 1.00 34.32 H new ATOM 0 HA LYS A 49 -16.474 -2.802 7.451 1.00 71.14 H new ATOM 0 HB2 LYS A 49 -13.607 -2.797 7.755 1.00 44.23 H new ATOM 0 HB3 LYS A 49 -14.094 -1.236 7.123 1.00 44.23 H new ATOM 0 HG2 LYS A 49 -14.105 -1.075 9.515 1.00 42.35 H new ATOM 0 HG3 LYS A 49 -15.776 -1.059 8.986 1.00 42.35 H new ATOM 0 HD2 LYS A 49 -15.635 -2.547 10.875 1.00 22.33 H new ATOM 0 HD3 LYS A 49 -15.900 -3.533 9.451 1.00 22.33 H new ATOM 0 HE2 LYS A 49 -13.574 -4.181 9.352 1.00 22.31 H new ATOM 0 HE3 LYS A 49 -13.120 -2.981 10.546 1.00 22.31 H new ATOM 0 HZ1 LYS A 49 -13.245 -5.181 11.519 1.00 1.21 H new ATOM 0 HZ2 LYS A 49 -14.429 -4.176 12.205 1.00 1.21 H new ATOM 0 HZ3 LYS A 49 -14.869 -5.339 11.049 1.00 1.21 H new ATOM 786 N GLN A 50 -16.630 -0.942 5.699 1.00 33.52 N ATOM 787 CA GLN A 50 -16.962 -0.103 4.554 1.00 15.02 C ATOM 788 C GLN A 50 -16.335 1.280 4.693 1.00 44.01 C ATOM 789 O GLN A 50 -15.979 1.704 5.793 1.00 2.51 O ATOM 790 CB GLN A 50 -18.480 0.025 4.412 1.00 71.21 C ATOM 791 CG GLN A 50 -19.218 -1.296 4.559 1.00 53.11 C ATOM 792 CD GLN A 50 -19.927 -1.423 5.893 1.00 53.12 C ATOM 793 OE1 GLN A 50 -20.999 -0.852 6.096 1.00 75.51 O ATOM 794 NE2 GLN A 50 -19.331 -2.174 6.811 1.00 10.03 N ATOM 0 H GLN A 50 -17.064 -0.652 6.575 1.00 33.52 H new ATOM 0 HA GLN A 50 -16.559 -0.577 3.659 1.00 15.02 H new ATOM 0 HB2 GLN A 50 -18.849 0.724 5.163 1.00 71.21 H new ATOM 0 HB3 GLN A 50 -18.711 0.454 3.437 1.00 71.21 H new ATOM 0 HG2 GLN A 50 -19.947 -1.392 3.754 1.00 53.11 H new ATOM 0 HG3 GLN A 50 -18.510 -2.118 4.448 1.00 53.11 H new ATOM 0 HE21 GLN A 50 -18.443 -2.629 6.600 1.00 10.03 H new ATOM 0 HE22 GLN A 50 -19.761 -2.296 7.728 1.00 10.03 H new ATOM 803 N LEU A 51 -16.201 1.979 3.571 1.00 61.41 N ATOM 804 CA LEU A 51 -15.615 3.315 3.567 1.00 73.32 C ATOM 805 C LEU A 51 -14.159 3.273 4.020 1.00 73.54 C ATOM 806 O LEU A 51 -13.873 3.140 5.209 1.00 35.10 O ATOM 807 CB LEU A 51 -16.417 4.247 4.476 1.00 13.31 C ATOM 808 CG LEU A 51 -17.939 4.123 4.390 1.00 1.42 C ATOM 809 CD1 LEU A 51 -18.600 4.860 5.544 1.00 15.53 C ATOM 810 CD2 LEU A 51 -18.443 4.655 3.056 1.00 1.25 C ATOM 0 H LEU A 51 -16.490 1.643 2.652 1.00 61.41 H new ATOM 0 HA LEU A 51 -15.647 3.696 2.546 1.00 73.32 H new ATOM 0 HB2 LEU A 51 -16.115 4.064 5.507 1.00 13.31 H new ATOM 0 HB3 LEU A 51 -16.142 5.275 4.241 1.00 13.31 H new ATOM 0 HG LEU A 51 -18.203 3.068 4.461 1.00 1.42 H new ATOM 0 HD11 LEU A 51 -19.683 4.761 5.466 1.00 15.53 H new ATOM 0 HD12 LEU A 51 -18.263 4.433 6.489 1.00 15.53 H new ATOM 0 HD13 LEU A 51 -18.328 5.915 5.505 1.00 15.53 H new ATOM 0 HD21 LEU A 51 -19.528 4.559 3.012 1.00 1.25 H new ATOM 0 HD22 LEU A 51 -18.167 5.705 2.955 1.00 1.25 H new ATOM 0 HD23 LEU A 51 -17.995 4.083 2.243 1.00 1.25 H new ATOM 822 N GLU A 52 -13.244 3.388 3.063 1.00 43.42 N ATOM 823 CA GLU A 52 -11.817 3.365 3.365 1.00 73.24 C ATOM 824 C GLU A 52 -11.137 4.641 2.877 1.00 63.40 C ATOM 825 O GLU A 52 -9.937 4.833 3.078 1.00 74.23 O ATOM 826 CB GLU A 52 -11.157 2.144 2.721 1.00 73.42 C ATOM 827 CG GLU A 52 -11.871 0.837 3.022 1.00 71.51 C ATOM 828 CD GLU A 52 -11.739 0.421 4.474 1.00 34.12 C ATOM 829 OE1 GLU A 52 -10.697 0.733 5.088 1.00 71.34 O ATOM 830 OE2 GLU A 52 -12.677 -0.216 4.997 1.00 15.01 O ATOM 0 H GLU A 52 -13.465 3.498 2.073 1.00 43.42 H new ATOM 0 HA GLU A 52 -11.701 3.303 4.447 1.00 73.24 H new ATOM 0 HB2 GLU A 52 -11.121 2.288 1.641 1.00 73.42 H new ATOM 0 HB3 GLU A 52 -10.126 2.073 3.068 1.00 73.42 H new ATOM 0 HG2 GLU A 52 -12.927 0.938 2.772 1.00 71.51 H new ATOM 0 HG3 GLU A 52 -11.466 0.051 2.385 1.00 71.51 H new ATOM 837 N ASP A 53 -11.911 5.509 2.235 1.00 21.42 N ATOM 838 CA ASP A 53 -11.384 6.767 1.719 1.00 73.42 C ATOM 839 C ASP A 53 -10.689 7.558 2.822 1.00 44.13 C ATOM 840 O ASP A 53 -9.635 8.154 2.600 1.00 12.33 O ATOM 841 CB ASP A 53 -12.510 7.602 1.106 1.00 4.25 C ATOM 842 CG ASP A 53 -12.072 8.331 -0.149 1.00 13.12 C ATOM 843 OD1 ASP A 53 -11.102 9.113 -0.073 1.00 2.03 O ATOM 844 OD2 ASP A 53 -12.701 8.120 -1.207 1.00 51.33 O ATOM 0 H ASP A 53 -12.905 5.365 2.059 1.00 21.42 H new ATOM 0 HA ASP A 53 -10.651 6.536 0.946 1.00 73.42 H new ATOM 0 HB2 ASP A 53 -13.353 6.953 0.870 1.00 4.25 H new ATOM 0 HB3 ASP A 53 -12.862 8.327 1.840 1.00 4.25 H new ATOM 849 N GLU A 54 -11.286 7.559 4.009 1.00 10.43 N ATOM 850 CA GLU A 54 -10.724 8.280 5.146 1.00 62.42 C ATOM 851 C GLU A 54 -9.417 7.638 5.604 1.00 52.20 C ATOM 852 O GLU A 54 -8.595 8.277 6.261 1.00 12.21 O ATOM 853 CB GLU A 54 -11.723 8.310 6.304 1.00 54.02 C ATOM 854 CG GLU A 54 -12.022 9.710 6.814 1.00 65.10 C ATOM 855 CD GLU A 54 -13.109 10.403 6.015 1.00 24.34 C ATOM 856 OE1 GLU A 54 -12.882 10.675 4.818 1.00 60.43 O ATOM 857 OE2 GLU A 54 -14.185 10.673 6.588 1.00 40.15 O ATOM 0 H GLU A 54 -12.158 7.069 4.209 1.00 10.43 H new ATOM 0 HA GLU A 54 -10.516 9.302 4.829 1.00 62.42 H new ATOM 0 HB2 GLU A 54 -12.654 7.843 5.982 1.00 54.02 H new ATOM 0 HB3 GLU A 54 -11.333 7.709 7.125 1.00 54.02 H new ATOM 0 HG2 GLU A 54 -12.324 9.655 7.860 1.00 65.10 H new ATOM 0 HG3 GLU A 54 -11.112 10.308 6.777 1.00 65.10 H new ATOM 864 N LYS A 55 -9.233 6.370 5.253 1.00 44.11 N ATOM 865 CA LYS A 55 -8.027 5.640 5.626 1.00 1.11 C ATOM 866 C LYS A 55 -7.010 5.652 4.489 1.00 21.33 C ATOM 867 O LYS A 55 -6.332 4.655 4.241 1.00 64.14 O ATOM 868 CB LYS A 55 -8.374 4.197 5.999 1.00 54.10 C ATOM 869 CG LYS A 55 -8.876 4.041 7.424 1.00 1.11 C ATOM 870 CD LYS A 55 -10.331 4.459 7.552 1.00 11.21 C ATOM 871 CE LYS A 55 -11.109 3.505 8.446 1.00 63.14 C ATOM 872 NZ LYS A 55 -11.157 3.981 9.856 1.00 71.31 N ATOM 0 H LYS A 55 -9.904 5.826 4.710 1.00 44.11 H new ATOM 0 HA LYS A 55 -7.585 6.136 6.490 1.00 1.11 H new ATOM 0 HB2 LYS A 55 -9.135 3.826 5.312 1.00 54.10 H new ATOM 0 HB3 LYS A 55 -7.491 3.573 5.864 1.00 54.10 H new ATOM 0 HG2 LYS A 55 -8.766 3.003 7.738 1.00 1.11 H new ATOM 0 HG3 LYS A 55 -8.263 4.643 8.095 1.00 1.11 H new ATOM 0 HD2 LYS A 55 -10.386 5.468 7.960 1.00 11.21 H new ATOM 0 HD3 LYS A 55 -10.790 4.489 6.564 1.00 11.21 H new ATOM 0 HE2 LYS A 55 -12.124 3.396 8.065 1.00 63.14 H new ATOM 0 HE3 LYS A 55 -10.648 2.518 8.411 1.00 63.14 H new ATOM 0 HZ1 LYS A 55 -11.696 3.304 10.433 1.00 71.31 H new ATOM 0 HZ2 LYS A 55 -10.189 4.060 10.229 1.00 71.31 H new ATOM 0 HZ3 LYS A 55 -11.620 4.912 9.893 1.00 71.31 H new ATOM 886 N ARG A 56 -6.909 6.786 3.804 1.00 64.44 N ATOM 887 CA ARG A 56 -5.974 6.926 2.694 1.00 50.35 C ATOM 888 C ARG A 56 -4.584 6.437 3.088 1.00 4.22 C ATOM 889 O ARG A 56 -4.187 5.321 2.750 1.00 11.02 O ATOM 890 CB ARG A 56 -5.903 8.386 2.240 1.00 34.33 C ATOM 891 CG ARG A 56 -6.118 9.384 3.366 1.00 4.11 C ATOM 892 CD ARG A 56 -7.519 9.974 3.328 1.00 5.32 C ATOM 893 NE ARG A 56 -7.524 11.394 3.671 1.00 21.13 N ATOM 894 CZ ARG A 56 -8.615 12.151 3.648 1.00 2.51 C ATOM 895 NH1 ARG A 56 -9.782 11.628 3.300 1.00 32.12 N ATOM 896 NH2 ARG A 56 -8.539 13.436 3.974 1.00 73.42 N ATOM 0 H ARG A 56 -7.462 7.621 3.998 1.00 64.44 H new ATOM 0 HA ARG A 56 -6.335 6.313 1.869 1.00 50.35 H new ATOM 0 HB2 ARG A 56 -4.930 8.569 1.784 1.00 34.33 H new ATOM 0 HB3 ARG A 56 -6.654 8.555 1.468 1.00 34.33 H new ATOM 0 HG2 ARG A 56 -5.955 8.893 4.325 1.00 4.11 H new ATOM 0 HG3 ARG A 56 -5.383 10.185 3.289 1.00 4.11 H new ATOM 0 HD2 ARG A 56 -7.942 9.840 2.332 1.00 5.32 H new ATOM 0 HD3 ARG A 56 -8.160 9.431 4.022 1.00 5.32 H new ATOM 0 HE ARG A 56 -6.642 11.828 3.943 1.00 21.13 H new ATOM 0 HH11 ARG A 56 -9.844 10.641 3.049 1.00 32.12 H new ATOM 0 HH12 ARG A 56 -10.618 12.212 3.283 1.00 32.12 H new ATOM 0 HH21 ARG A 56 -7.643 13.842 4.242 1.00 73.42 H new ATOM 0 HH22 ARG A 56 -9.377 14.017 3.956 1.00 73.42 H new ATOM 910 N LEU A 57 -3.847 7.279 3.805 1.00 52.45 N ATOM 911 CA LEU A 57 -2.500 6.934 4.245 1.00 33.33 C ATOM 912 C LEU A 57 -2.527 5.737 5.191 1.00 11.31 C ATOM 913 O LEU A 57 -1.620 4.905 5.183 1.00 21.01 O ATOM 914 CB LEU A 57 -1.846 8.131 4.937 1.00 22.32 C ATOM 915 CG LEU A 57 -0.318 8.119 4.996 1.00 41.33 C ATOM 916 CD1 LEU A 57 0.215 9.510 5.305 1.00 71.31 C ATOM 917 CD2 LEU A 57 0.169 7.117 6.032 1.00 33.01 C ATOM 0 H LEU A 57 -4.160 8.206 4.094 1.00 52.45 H new ATOM 0 HA LEU A 57 -1.914 6.666 3.366 1.00 33.33 H new ATOM 0 HB2 LEU A 57 -2.163 9.039 4.424 1.00 22.32 H new ATOM 0 HB3 LEU A 57 -2.229 8.190 5.956 1.00 22.32 H new ATOM 0 HG LEU A 57 0.061 7.815 4.020 1.00 41.33 H new ATOM 0 HD11 LEU A 57 1.304 9.482 5.343 1.00 71.31 H new ATOM 0 HD12 LEU A 57 -0.103 10.203 4.526 1.00 71.31 H new ATOM 0 HD13 LEU A 57 -0.173 9.843 6.268 1.00 71.31 H new ATOM 0 HD21 LEU A 57 1.259 7.123 6.060 1.00 33.01 H new ATOM 0 HD22 LEU A 57 -0.220 7.390 7.013 1.00 33.01 H new ATOM 0 HD23 LEU A 57 -0.182 6.120 5.767 1.00 33.01 H new ATOM 929 N LYS A 58 -3.575 5.656 6.004 1.00 4.25 N ATOM 930 CA LYS A 58 -3.723 4.560 6.955 1.00 51.15 C ATOM 931 C LYS A 58 -3.724 3.214 6.237 1.00 51.23 C ATOM 932 O LYS A 58 -3.365 2.190 6.818 1.00 75.11 O ATOM 933 CB LYS A 58 -5.017 4.724 7.755 1.00 21.14 C ATOM 934 CG LYS A 58 -4.790 4.914 9.245 1.00 31.22 C ATOM 935 CD LYS A 58 -5.323 3.737 10.045 1.00 63.42 C ATOM 936 CE LYS A 58 -6.693 4.037 10.634 1.00 64.14 C ATOM 937 NZ LYS A 58 -6.592 4.658 11.983 1.00 12.13 N ATOM 0 H LYS A 58 -4.335 6.336 6.023 1.00 4.25 H new ATOM 0 HA LYS A 58 -2.874 4.587 7.638 1.00 51.15 H new ATOM 0 HB2 LYS A 58 -5.568 5.581 7.368 1.00 21.14 H new ATOM 0 HB3 LYS A 58 -5.644 3.846 7.600 1.00 21.14 H new ATOM 0 HG2 LYS A 58 -3.724 5.034 9.439 1.00 31.22 H new ATOM 0 HG3 LYS A 58 -5.279 5.831 9.575 1.00 31.22 H new ATOM 0 HD2 LYS A 58 -5.386 2.858 9.403 1.00 63.42 H new ATOM 0 HD3 LYS A 58 -4.626 3.496 10.847 1.00 63.42 H new ATOM 0 HE2 LYS A 58 -7.237 4.705 9.966 1.00 64.14 H new ATOM 0 HE3 LYS A 58 -7.270 3.114 10.701 1.00 64.14 H new ATOM 0 HZ1 LYS A 58 -7.546 4.847 12.350 1.00 12.13 H new ATOM 0 HZ2 LYS A 58 -6.095 4.010 12.627 1.00 12.13 H new ATOM 0 HZ3 LYS A 58 -6.064 5.551 11.915 1.00 12.13 H new ATOM 951 N ASP A 59 -4.128 3.224 4.971 1.00 4.31 N ATOM 952 CA ASP A 59 -4.172 2.004 4.173 1.00 14.52 C ATOM 953 C ASP A 59 -2.796 1.678 3.601 1.00 12.34 C ATOM 954 O ASP A 59 -2.545 0.555 3.163 1.00 52.51 O ATOM 955 CB ASP A 59 -5.188 2.149 3.039 1.00 34.51 C ATOM 956 CG ASP A 59 -6.550 1.592 3.407 1.00 23.22 C ATOM 957 OD1 ASP A 59 -6.940 1.712 4.587 1.00 11.01 O ATOM 958 OD2 ASP A 59 -7.224 1.035 2.516 1.00 53.15 O ATOM 0 H ASP A 59 -4.430 4.063 4.476 1.00 4.31 H new ATOM 0 HA ASP A 59 -4.478 1.184 4.823 1.00 14.52 H new ATOM 0 HB2 ASP A 59 -5.288 3.202 2.777 1.00 34.51 H new ATOM 0 HB3 ASP A 59 -4.815 1.634 2.153 1.00 34.51 H new ATOM 963 N TYR A 60 -1.909 2.667 3.608 1.00 20.25 N ATOM 964 CA TYR A 60 -0.559 2.486 3.087 1.00 13.24 C ATOM 965 C TYR A 60 0.297 1.681 4.060 1.00 71.31 C ATOM 966 O TYR A 60 1.296 1.076 3.670 1.00 55.51 O ATOM 967 CB TYR A 60 0.093 3.844 2.820 1.00 32.22 C ATOM 968 CG TYR A 60 1.487 3.743 2.245 1.00 64.13 C ATOM 969 CD1 TYR A 60 1.685 3.505 0.890 1.00 3.40 C ATOM 970 CD2 TYR A 60 2.607 3.884 3.055 1.00 12.23 C ATOM 971 CE1 TYR A 60 2.958 3.412 0.360 1.00 74.33 C ATOM 972 CE2 TYR A 60 3.883 3.794 2.533 1.00 34.55 C ATOM 973 CZ TYR A 60 4.053 3.557 1.185 1.00 11.03 C ATOM 974 OH TYR A 60 5.322 3.465 0.662 1.00 62.41 O ATOM 0 H TYR A 60 -2.100 3.602 3.968 1.00 20.25 H new ATOM 0 HA TYR A 60 -0.629 1.933 2.150 1.00 13.24 H new ATOM 0 HB2 TYR A 60 -0.535 4.410 2.132 1.00 32.22 H new ATOM 0 HB3 TYR A 60 0.133 4.408 3.752 1.00 32.22 H new ATOM 0 HD1 TYR A 60 0.830 3.391 0.240 1.00 3.40 H new ATOM 0 HD2 TYR A 60 2.478 4.067 4.111 1.00 12.23 H new ATOM 0 HE1 TYR A 60 3.094 3.227 -0.695 1.00 74.33 H new ATOM 0 HE2 TYR A 60 4.742 3.909 3.177 1.00 34.55 H new ATOM 0 HH TYR A 60 5.980 3.592 1.377 1.00 62.41 H new ATOM 984 N GLN A 61 -0.103 1.678 5.327 1.00 30.44 N ATOM 985 CA GLN A 61 0.627 0.947 6.356 1.00 20.34 C ATOM 986 C GLN A 61 0.357 -0.551 6.256 1.00 51.12 C ATOM 987 O GLN A 61 0.966 -1.350 6.966 1.00 63.21 O ATOM 988 CB GLN A 61 0.238 1.455 7.746 1.00 70.12 C ATOM 989 CG GLN A 61 1.124 2.582 8.251 1.00 15.52 C ATOM 990 CD GLN A 61 2.526 2.116 8.589 1.00 11.41 C ATOM 991 OE1 GLN A 61 2.716 1.253 9.446 1.00 71.41 O ATOM 992 NE2 GLN A 61 3.518 2.687 7.916 1.00 41.01 N ATOM 0 H GLN A 61 -0.928 2.173 5.666 1.00 30.44 H new ATOM 0 HA GLN A 61 1.692 1.117 6.199 1.00 20.34 H new ATOM 0 HB2 GLN A 61 -0.796 1.800 7.722 1.00 70.12 H new ATOM 0 HB3 GLN A 61 0.281 0.626 8.452 1.00 70.12 H new ATOM 0 HG2 GLN A 61 1.178 3.364 7.493 1.00 15.52 H new ATOM 0 HG3 GLN A 61 0.670 3.027 9.136 1.00 15.52 H new ATOM 0 HE21 GLN A 61 3.315 3.398 7.214 1.00 41.01 H new ATOM 0 HE22 GLN A 61 4.483 2.414 8.101 1.00 41.01 H new ATOM 1001 N MET A 62 -0.561 -0.923 5.369 1.00 24.45 N ATOM 1002 CA MET A 62 -0.910 -2.326 5.176 1.00 55.22 C ATOM 1003 C MET A 62 0.077 -3.007 4.233 1.00 34.35 C ATOM 1004 O MET A 62 0.851 -3.869 4.648 1.00 24.24 O ATOM 1005 CB MET A 62 -2.331 -2.447 4.620 1.00 23.33 C ATOM 1006 CG MET A 62 -3.334 -1.539 5.313 1.00 61.21 C ATOM 1007 SD MET A 62 -3.457 -1.863 7.082 1.00 14.54 S ATOM 1008 CE MET A 62 -5.205 -1.579 7.357 1.00 25.52 C ATOM 0 H MET A 62 -1.076 -0.274 4.774 1.00 24.45 H new ATOM 0 HA MET A 62 -0.862 -2.824 6.144 1.00 55.22 H new ATOM 0 HB2 MET A 62 -2.317 -2.214 3.555 1.00 23.33 H new ATOM 0 HB3 MET A 62 -2.663 -3.481 4.715 1.00 23.33 H new ATOM 0 HG2 MET A 62 -3.045 -0.500 5.157 1.00 61.21 H new ATOM 0 HG3 MET A 62 -4.314 -1.670 4.855 1.00 61.21 H new ATOM 0 HE1 MET A 62 -5.439 -1.741 8.409 1.00 25.52 H new ATOM 0 HE2 MET A 62 -5.455 -0.554 7.083 1.00 25.52 H new ATOM 0 HE3 MET A 62 -5.786 -2.270 6.746 1.00 25.52 H new ATOM 1018 N SER A 63 0.043 -2.616 2.964 1.00 53.52 N ATOM 1019 CA SER A 63 0.932 -3.192 1.962 1.00 53.01 C ATOM 1020 C SER A 63 0.750 -4.705 1.880 1.00 2.44 C ATOM 1021 O SER A 63 1.656 -5.428 1.468 1.00 61.12 O ATOM 1022 CB SER A 63 2.388 -2.859 2.290 1.00 44.32 C ATOM 1023 OG SER A 63 2.517 -1.521 2.739 1.00 13.14 O ATOM 0 H SER A 63 -0.591 -1.902 2.605 1.00 53.52 H new ATOM 0 HA SER A 63 0.677 -2.760 0.994 1.00 53.01 H new ATOM 0 HB2 SER A 63 2.756 -3.540 3.057 1.00 44.32 H new ATOM 0 HB3 SER A 63 3.007 -3.010 1.406 1.00 44.32 H new ATOM 0 HG SER A 63 3.457 -1.334 2.944 1.00 13.14 H new ATOM 1029 N ALA A 64 -0.428 -5.175 2.277 1.00 23.02 N ATOM 1030 CA ALA A 64 -0.730 -6.601 2.248 1.00 52.43 C ATOM 1031 C ALA A 64 -2.152 -6.870 2.730 1.00 64.33 C ATOM 1032 O ALA A 64 -2.394 -7.813 3.482 1.00 21.10 O ATOM 1033 CB ALA A 64 0.272 -7.370 3.095 1.00 33.44 C ATOM 0 H ALA A 64 -1.188 -4.589 2.622 1.00 23.02 H new ATOM 0 HA ALA A 64 -0.653 -6.943 1.216 1.00 52.43 H new ATOM 0 HB1 ALA A 64 0.034 -8.433 3.064 1.00 33.44 H new ATOM 0 HB2 ALA A 64 1.277 -7.211 2.704 1.00 33.44 H new ATOM 0 HB3 ALA A 64 0.224 -7.017 4.125 1.00 33.44 H new ATOM 1039 N GLY A 65 -3.089 -6.035 2.292 1.00 61.14 N ATOM 1040 CA GLY A 65 -4.475 -6.200 2.690 1.00 64.32 C ATOM 1041 C GLY A 65 -5.394 -6.434 1.507 1.00 2.33 C ATOM 1042 O GLY A 65 -5.476 -5.603 0.603 1.00 22.10 O ATOM 0 H GLY A 65 -2.913 -5.247 1.669 1.00 61.14 H new ATOM 0 HA2 GLY A 65 -4.554 -7.040 3.380 1.00 64.32 H new ATOM 0 HA3 GLY A 65 -4.803 -5.312 3.231 1.00 64.32 H new ATOM 1046 N ALA A 66 -6.086 -7.568 1.513 1.00 60.22 N ATOM 1047 CA ALA A 66 -7.004 -7.908 0.433 1.00 62.23 C ATOM 1048 C ALA A 66 -8.134 -6.890 0.332 1.00 51.43 C ATOM 1049 O ALA A 66 -8.719 -6.493 1.340 1.00 10.12 O ATOM 1050 CB ALA A 66 -7.567 -9.306 0.640 1.00 75.25 C ATOM 0 H ALA A 66 -6.028 -8.267 2.254 1.00 60.22 H new ATOM 0 HA ALA A 66 -6.447 -7.887 -0.504 1.00 62.23 H new ATOM 0 HB1 ALA A 66 -8.251 -9.547 -0.174 1.00 75.25 H new ATOM 0 HB2 ALA A 66 -6.751 -10.028 0.654 1.00 75.25 H new ATOM 0 HB3 ALA A 66 -8.103 -9.346 1.588 1.00 75.25 H new ATOM 1056 N THR A 67 -8.437 -6.468 -0.892 1.00 75.33 N ATOM 1057 CA THR A 67 -9.496 -5.494 -1.125 1.00 34.42 C ATOM 1058 C THR A 67 -10.541 -6.039 -2.092 1.00 53.31 C ATOM 1059 O THR A 67 -10.207 -6.707 -3.071 1.00 14.30 O ATOM 1060 CB THR A 67 -8.933 -4.175 -1.685 1.00 1.31 C ATOM 1061 OG1 THR A 67 -7.532 -4.313 -1.948 1.00 52.30 O ATOM 1062 CG2 THR A 67 -9.160 -3.031 -0.708 1.00 33.34 C ATOM 0 H THR A 67 -7.963 -6.786 -1.738 1.00 75.33 H new ATOM 0 HA THR A 67 -9.964 -5.299 -0.160 1.00 34.42 H new ATOM 0 HB THR A 67 -9.456 -3.948 -2.614 1.00 1.31 H new ATOM 0 HG1 THR A 67 -7.381 -5.103 -2.508 1.00 52.30 H new ATOM 0 HG21 THR A 67 -8.754 -2.110 -1.126 1.00 33.34 H new ATOM 0 HG22 THR A 67 -10.229 -2.909 -0.532 1.00 33.34 H new ATOM 0 HG23 THR A 67 -8.660 -3.253 0.235 1.00 33.34 H new ATOM 1070 N PHE A 68 -11.808 -5.749 -1.813 1.00 3.53 N ATOM 1071 CA PHE A 68 -12.902 -6.210 -2.659 1.00 13.43 C ATOM 1072 C PHE A 68 -13.832 -5.055 -3.022 1.00 60.52 C ATOM 1073 O PHE A 68 -14.513 -4.497 -2.161 1.00 62.03 O ATOM 1074 CB PHE A 68 -13.692 -7.312 -1.951 1.00 74.30 C ATOM 1075 CG PHE A 68 -15.007 -7.623 -2.607 1.00 72.12 C ATOM 1076 CD1 PHE A 68 -15.049 -8.202 -3.865 1.00 42.15 C ATOM 1077 CD2 PHE A 68 -16.201 -7.337 -1.966 1.00 15.02 C ATOM 1078 CE1 PHE A 68 -16.257 -8.488 -4.472 1.00 34.13 C ATOM 1079 CE2 PHE A 68 -17.413 -7.621 -2.567 1.00 32.31 C ATOM 1080 CZ PHE A 68 -17.441 -8.199 -3.821 1.00 40.32 C ATOM 0 H PHE A 68 -12.102 -5.197 -1.007 1.00 3.53 H new ATOM 0 HA PHE A 68 -12.474 -6.612 -3.577 1.00 13.43 H new ATOM 0 HB2 PHE A 68 -13.087 -8.218 -1.920 1.00 74.30 H new ATOM 0 HB3 PHE A 68 -13.872 -7.013 -0.918 1.00 74.30 H new ATOM 0 HD1 PHE A 68 -14.127 -8.433 -4.377 1.00 42.15 H new ATOM 0 HD2 PHE A 68 -16.185 -6.887 -0.985 1.00 15.02 H new ATOM 0 HE1 PHE A 68 -16.276 -8.937 -5.454 1.00 34.13 H new ATOM 0 HE2 PHE A 68 -18.337 -7.391 -2.057 1.00 32.31 H new ATOM 0 HZ PHE A 68 -18.386 -8.425 -4.292 1.00 40.32 H new ATOM 1090 N HIS A 69 -13.855 -4.703 -4.304 1.00 5.34 N ATOM 1091 CA HIS A 69 -14.700 -3.615 -4.782 1.00 53.03 C ATOM 1092 C HIS A 69 -16.070 -4.137 -5.204 1.00 34.41 C ATOM 1093 O HIS A 69 -16.188 -5.243 -5.732 1.00 11.24 O ATOM 1094 CB HIS A 69 -14.031 -2.899 -5.956 1.00 72.21 C ATOM 1095 CG HIS A 69 -12.852 -2.067 -5.556 1.00 65.35 C ATOM 1096 ND1 HIS A 69 -11.901 -2.494 -4.653 1.00 60.13 N ATOM 1097 CD2 HIS A 69 -12.470 -0.828 -5.944 1.00 53.31 C ATOM 1098 CE1 HIS A 69 -10.987 -1.552 -4.501 1.00 71.43 C ATOM 1099 NE2 HIS A 69 -11.309 -0.531 -5.274 1.00 51.30 N ATOM 0 H HIS A 69 -13.299 -5.155 -5.029 1.00 5.34 H new ATOM 0 HA HIS A 69 -14.836 -2.907 -3.964 1.00 53.03 H new ATOM 0 HB2 HIS A 69 -13.711 -3.640 -6.688 1.00 72.21 H new ATOM 0 HB3 HIS A 69 -14.765 -2.261 -6.448 1.00 72.21 H new ATOM 0 HD2 HIS A 69 -12.983 -0.191 -6.650 1.00 53.31 H new ATOM 0 HE1 HIS A 69 -10.124 -1.608 -3.855 1.00 71.43 H new ATOM 0 HE2 HIS A 69 -10.781 0.337 -5.359 1.00 51.30 H new ATOM 1107 N MET A 70 -17.103 -3.335 -4.967 1.00 1.04 N ATOM 1108 CA MET A 70 -18.465 -3.717 -5.322 1.00 44.14 C ATOM 1109 C MET A 70 -19.134 -2.630 -6.157 1.00 43.33 C ATOM 1110 O MET A 70 -19.146 -1.459 -5.776 1.00 21.34 O ATOM 1111 CB MET A 70 -19.288 -3.987 -4.061 1.00 45.32 C ATOM 1112 CG MET A 70 -20.727 -4.382 -4.348 1.00 11.42 C ATOM 1113 SD MET A 70 -21.208 -5.907 -3.515 1.00 10.43 S ATOM 1114 CE MET A 70 -22.471 -5.299 -2.399 1.00 73.35 C ATOM 0 H MET A 70 -17.023 -2.417 -4.531 1.00 1.04 H new ATOM 0 HA MET A 70 -18.416 -4.629 -5.917 1.00 44.14 H new ATOM 0 HB2 MET A 70 -18.809 -4.781 -3.488 1.00 45.32 H new ATOM 0 HB3 MET A 70 -19.283 -3.094 -3.435 1.00 45.32 H new ATOM 0 HG2 MET A 70 -21.390 -3.576 -4.034 1.00 11.42 H new ATOM 0 HG3 MET A 70 -20.859 -4.503 -5.423 1.00 11.42 H new ATOM 0 HE1 MET A 70 -22.867 -6.128 -1.812 1.00 73.35 H new ATOM 0 HE2 MET A 70 -22.038 -4.555 -1.730 1.00 73.35 H new ATOM 0 HE3 MET A 70 -23.277 -4.844 -2.975 1.00 73.35 H new ATOM 1124 N VAL A 71 -19.689 -3.024 -7.299 1.00 12.12 N ATOM 1125 CA VAL A 71 -20.361 -2.083 -8.187 1.00 42.22 C ATOM 1126 C VAL A 71 -21.684 -2.650 -8.690 1.00 3.03 C ATOM 1127 O VAL A 71 -21.707 -3.597 -9.476 1.00 0.00 O ATOM 1128 CB VAL A 71 -19.477 -1.723 -9.396 1.00 64.40 C ATOM 1129 CG1 VAL A 71 -20.116 -0.611 -10.213 1.00 43.02 C ATOM 1130 CG2 VAL A 71 -18.082 -1.325 -8.936 1.00 55.11 C ATOM 0 H VAL A 71 -19.686 -3.989 -7.631 1.00 12.12 H new ATOM 0 HA VAL A 71 -20.553 -1.182 -7.605 1.00 42.22 H new ATOM 0 HB VAL A 71 -19.387 -2.603 -10.033 1.00 64.40 H new ATOM 0 HG11 VAL A 71 -19.477 -0.370 -11.063 1.00 43.02 H new ATOM 0 HG12 VAL A 71 -21.091 -0.939 -10.574 1.00 43.02 H new ATOM 0 HG13 VAL A 71 -20.239 0.274 -9.589 1.00 43.02 H new ATOM 0 HG21 VAL A 71 -17.471 -1.074 -9.803 1.00 55.11 H new ATOM 0 HG22 VAL A 71 -18.149 -0.460 -8.277 1.00 55.11 H new ATOM 0 HG23 VAL A 71 -17.625 -2.156 -8.399 1.00 55.11 H new ATOM 1140 N VAL A 72 -22.785 -2.064 -8.231 1.00 10.12 N ATOM 1141 CA VAL A 72 -24.113 -2.509 -8.635 1.00 32.42 C ATOM 1142 C VAL A 72 -24.856 -1.411 -9.386 1.00 54.33 C ATOM 1143 O VAL A 72 -25.118 -0.339 -8.841 1.00 21.12 O ATOM 1144 CB VAL A 72 -24.954 -2.943 -7.419 1.00 64.52 C ATOM 1145 CG1 VAL A 72 -25.006 -1.832 -6.382 1.00 30.21 C ATOM 1146 CG2 VAL A 72 -26.355 -3.343 -7.856 1.00 41.10 C ATOM 0 H VAL A 72 -22.783 -1.280 -7.579 1.00 10.12 H new ATOM 0 HA VAL A 72 -23.972 -3.365 -9.295 1.00 32.42 H new ATOM 0 HB VAL A 72 -24.480 -3.811 -6.962 1.00 64.52 H new ATOM 0 HG11 VAL A 72 -25.604 -2.157 -5.531 1.00 30.21 H new ATOM 0 HG12 VAL A 72 -23.995 -1.599 -6.047 1.00 30.21 H new ATOM 0 HG13 VAL A 72 -25.456 -0.943 -6.824 1.00 30.21 H new ATOM 0 HG21 VAL A 72 -26.935 -3.647 -6.985 1.00 41.10 H new ATOM 0 HG22 VAL A 72 -26.842 -2.495 -8.338 1.00 41.10 H new ATOM 0 HG23 VAL A 72 -26.294 -4.174 -8.559 1.00 41.10 H new ATOM 1156 N ALA A 73 -25.195 -1.685 -10.642 1.00 45.20 N ATOM 1157 CA ALA A 73 -25.910 -0.721 -11.468 1.00 52.43 C ATOM 1158 C ALA A 73 -27.156 -1.346 -12.087 1.00 42.33 C ATOM 1159 O ALA A 73 -27.068 -2.097 -13.060 1.00 13.05 O ATOM 1160 CB ALA A 73 -24.996 -0.175 -12.555 1.00 24.11 C ATOM 0 H ALA A 73 -24.986 -2.567 -11.109 1.00 45.20 H new ATOM 0 HA ALA A 73 -26.227 0.103 -10.828 1.00 52.43 H new ATOM 0 HB1 ALA A 73 -25.544 0.544 -13.164 1.00 24.11 H new ATOM 0 HB2 ALA A 73 -24.139 0.317 -12.096 1.00 24.11 H new ATOM 0 HB3 ALA A 73 -24.650 -0.995 -13.185 1.00 24.11 H new ATOM 1166 N LEU A 74 -28.314 -1.032 -11.518 1.00 75.02 N ATOM 1167 CA LEU A 74 -29.579 -1.564 -12.014 1.00 52.20 C ATOM 1168 C LEU A 74 -29.621 -3.083 -11.880 1.00 14.45 C ATOM 1169 O LEU A 74 -29.137 -3.806 -12.750 1.00 20.44 O ATOM 1170 CB LEU A 74 -29.785 -1.164 -13.476 1.00 60.01 C ATOM 1171 CG LEU A 74 -30.888 -0.139 -13.743 1.00 32.41 C ATOM 1172 CD1 LEU A 74 -32.257 -0.746 -13.474 1.00 64.24 C ATOM 1173 CD2 LEU A 74 -30.678 1.104 -12.892 1.00 10.44 C ATOM 0 H LEU A 74 -28.404 -0.412 -10.713 1.00 75.02 H new ATOM 0 HA LEU A 74 -30.383 -1.142 -11.411 1.00 52.20 H new ATOM 0 HB2 LEU A 74 -28.846 -0.765 -13.858 1.00 60.01 H new ATOM 0 HB3 LEU A 74 -30.006 -2.064 -14.050 1.00 60.01 H new ATOM 0 HG LEU A 74 -30.841 0.151 -14.793 1.00 32.41 H new ATOM 0 HD11 LEU A 74 -33.030 -0.002 -13.669 1.00 64.24 H new ATOM 0 HD12 LEU A 74 -32.408 -1.606 -14.126 1.00 64.24 H new ATOM 0 HD13 LEU A 74 -32.315 -1.065 -12.433 1.00 64.24 H new ATOM 0 HD21 LEU A 74 -31.472 1.822 -13.095 1.00 10.44 H new ATOM 0 HD22 LEU A 74 -30.697 0.830 -11.837 1.00 10.44 H new ATOM 0 HD23 LEU A 74 -29.714 1.551 -13.133 1.00 10.44 H new ATOM 1185 N ARG A 75 -30.205 -3.559 -10.785 1.00 15.53 N ATOM 1186 CA ARG A 75 -30.312 -4.991 -10.537 1.00 30.31 C ATOM 1187 C ARG A 75 -31.688 -5.346 -9.981 1.00 71.00 C ATOM 1188 O ARG A 75 -32.312 -6.315 -10.413 1.00 1.12 O ATOM 1189 CB ARG A 75 -29.224 -5.444 -9.562 1.00 21.05 C ATOM 1190 CG ARG A 75 -28.372 -6.587 -10.088 1.00 24.22 C ATOM 1191 CD ARG A 75 -27.390 -6.109 -11.146 1.00 50.21 C ATOM 1192 NE ARG A 75 -26.004 -6.243 -10.707 1.00 65.04 N ATOM 1193 CZ ARG A 75 -25.398 -7.412 -10.533 1.00 21.43 C ATOM 1194 NH1 ARG A 75 -26.053 -8.542 -10.759 1.00 34.51 N ATOM 1195 NH2 ARG A 75 -24.134 -7.453 -10.131 1.00 42.25 N ATOM 0 H ARG A 75 -30.611 -2.973 -10.055 1.00 15.53 H new ATOM 0 HA ARG A 75 -30.178 -5.509 -11.487 1.00 30.31 H new ATOM 0 HB2 ARG A 75 -28.578 -4.597 -9.332 1.00 21.05 H new ATOM 0 HB3 ARG A 75 -29.691 -5.751 -8.626 1.00 21.05 H new ATOM 0 HG2 ARG A 75 -27.826 -7.044 -9.263 1.00 24.22 H new ATOM 0 HG3 ARG A 75 -29.016 -7.358 -10.510 1.00 24.22 H new ATOM 0 HD2 ARG A 75 -27.537 -6.681 -12.062 1.00 50.21 H new ATOM 0 HD3 ARG A 75 -27.595 -5.066 -11.386 1.00 50.21 H new ATOM 0 HE ARG A 75 -25.472 -5.392 -10.524 1.00 65.04 H new ATOM 0 HH11 ARG A 75 -27.025 -8.515 -11.067 1.00 34.51 H new ATOM 0 HH12 ARG A 75 -25.585 -9.438 -10.625 1.00 34.51 H new ATOM 0 HH21 ARG A 75 -23.626 -6.586 -9.955 1.00 42.25 H new ATOM 0 HH22 ARG A 75 -23.670 -8.352 -9.998 1.00 42.25 H new ATOM 1209 N ALA A 76 -32.154 -4.555 -9.020 1.00 55.25 N ATOM 1210 CA ALA A 76 -33.456 -4.784 -8.407 1.00 35.22 C ATOM 1211 C ALA A 76 -34.005 -3.503 -7.788 1.00 73.02 C ATOM 1212 O ALA A 76 -33.249 -2.664 -7.301 1.00 31.14 O ATOM 1213 CB ALA A 76 -33.359 -5.880 -7.356 1.00 22.21 C ATOM 0 H ALA A 76 -31.649 -3.750 -8.649 1.00 55.25 H new ATOM 0 HA ALA A 76 -34.146 -5.104 -9.188 1.00 35.22 H new ATOM 0 HB1 ALA A 76 -34.339 -6.041 -6.906 1.00 22.21 H new ATOM 0 HB2 ALA A 76 -33.019 -6.804 -7.824 1.00 22.21 H new ATOM 0 HB3 ALA A 76 -32.650 -5.582 -6.584 1.00 22.21 H new ATOM 1219 N GLY A 77 -35.327 -3.358 -7.813 1.00 21.35 N ATOM 1220 CA GLY A 77 -35.954 -2.176 -7.252 1.00 11.23 C ATOM 1221 C GLY A 77 -37.080 -1.650 -8.119 1.00 74.23 C ATOM 1222 O GLY A 77 -37.102 -0.470 -8.472 1.00 73.42 O ATOM 0 H GLY A 77 -35.974 -4.038 -8.212 1.00 21.35 H new ATOM 0 HA2 GLY A 77 -36.342 -2.410 -6.261 1.00 11.23 H new ATOM 0 HA3 GLY A 77 -35.203 -1.396 -7.124 1.00 11.23 H new ATOM 1226 N CYS A 78 -38.017 -2.527 -8.465 1.00 43.53 N ATOM 1227 CA CYS A 78 -39.151 -2.145 -9.300 1.00 5.33 C ATOM 1228 C CYS A 78 -39.958 -1.030 -8.643 1.00 2.32 C ATOM 1229 O CYS A 78 -40.591 -1.236 -7.608 1.00 55.44 O ATOM 1230 CB CYS A 78 -40.048 -3.355 -9.561 1.00 53.23 C ATOM 1231 SG CYS A 78 -39.434 -4.465 -10.849 1.00 63.31 S ATOM 0 H CYS A 78 -38.014 -3.506 -8.180 1.00 43.53 H new ATOM 0 HA CYS A 78 -38.764 -1.777 -10.250 1.00 5.33 H new ATOM 0 HB2 CYS A 78 -40.159 -3.918 -8.634 1.00 53.23 H new ATOM 0 HB3 CYS A 78 -41.041 -3.004 -9.842 1.00 53.23 H new ATOM 0 HG CYS A 78 -40.259 -5.459 -10.995 1.00 63.31 H new TER 1237 CYS A 78