USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 971 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 61 ASN : amide:sc= -1.71 K(o=-6.7,f=-7.9!) USER MOD Set 1.2: A 93 MET CE :methyl -126:sc= -5.01 (180deg=-8.86!) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot 76:sc= 0.442 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.067 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 15 CYS SG : rot 50:sc= -0.585 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl -147:sc= -0.496 (180deg=-1.53) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.556 X(o=-0.56,f=-0.47) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0129 USER MOD Single : A 35 HIS : no HD1:sc= -2.27 K(o=-2.3,f=-4.4) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 171:sc= -0.28 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -83:sc= 0.55 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.169 X(o=0.17,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl -110:sc= -2.54 (180deg=-7.38!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 175:sc= -0.0234 (180deg=-0.0753) USER MOD Single : A 104 LYS NZ :NH3+ 152:sc= -0.307 (180deg=-1.24) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.585 6.078 -2.973 1.00 42.31 N ATOM 2 CA GLY A 1 -1.231 4.819 -2.648 1.00 53.12 C ATOM 3 C GLY A 1 -0.604 3.644 -3.370 1.00 15.32 C ATOM 4 O GLY A 1 0.472 3.750 -3.958 1.00 30.13 O ATOM 0 H1 GLY A 1 -0.261 6.538 -2.098 1.00 42.31 H new ATOM 0 H2 GLY A 1 0.230 5.900 -3.593 1.00 42.31 H new ATOM 0 H3 GLY A 1 -1.261 6.700 -3.460 1.00 42.31 H new ATOM 0 HA2 GLY A 1 -1.175 4.652 -1.572 1.00 53.12 H new ATOM 0 HA3 GLY A 1 -2.288 4.879 -2.907 1.00 53.12 H new ATOM 8 N PRO A 2 -1.283 2.488 -3.329 1.00 31.21 N ATOM 9 CA PRO A 2 -0.805 1.263 -3.977 1.00 52.14 C ATOM 10 C PRO A 2 -0.859 1.354 -5.498 1.00 61.23 C ATOM 11 O PRO A 2 -1.788 1.930 -6.062 1.00 11.13 O ATOM 12 CB PRO A 2 -1.773 0.192 -3.470 1.00 12.20 C ATOM 13 CG PRO A 2 -3.017 0.935 -3.130 1.00 2.10 C ATOM 14 CD PRO A 2 -2.573 2.287 -2.645 1.00 41.33 C ATOM 0 HA PRO A 2 0.239 1.058 -3.741 1.00 52.14 H new ATOM 0 HB2 PRO A 2 -1.960 -0.565 -4.232 1.00 12.20 H new ATOM 0 HB3 PRO A 2 -1.370 -0.325 -2.599 1.00 12.20 H new ATOM 0 HG2 PRO A 2 -3.667 1.027 -4.000 1.00 2.10 H new ATOM 0 HG3 PRO A 2 -3.586 0.412 -2.361 1.00 2.10 H new ATOM 0 HD2 PRO A 2 -3.292 3.064 -2.906 1.00 41.33 H new ATOM 0 HD3 PRO A 2 -2.461 2.308 -1.561 1.00 41.33 H new ATOM 22 N GLY A 3 0.143 0.780 -6.157 1.00 13.22 N ATOM 23 CA GLY A 3 0.190 0.808 -7.607 1.00 45.42 C ATOM 24 C GLY A 3 0.571 2.171 -8.149 1.00 62.35 C ATOM 25 O GLY A 3 -0.270 2.887 -8.693 1.00 22.31 O ATOM 0 H GLY A 3 0.923 0.296 -5.712 1.00 13.22 H new ATOM 0 HA2 GLY A 3 0.908 0.067 -7.958 1.00 45.42 H new ATOM 0 HA3 GLY A 3 -0.784 0.522 -8.004 1.00 45.42 H new ATOM 29 N SER A 4 1.841 2.532 -8.001 1.00 25.24 N ATOM 30 CA SER A 4 2.331 3.821 -8.475 1.00 42.22 C ATOM 31 C SER A 4 2.081 3.980 -9.971 1.00 24.33 C ATOM 32 O SER A 4 1.522 4.983 -10.415 1.00 52.03 O ATOM 33 CB SER A 4 3.824 3.964 -8.178 1.00 72.23 C ATOM 34 OG SER A 4 4.370 5.094 -8.837 1.00 52.43 O ATOM 0 H SER A 4 2.550 1.949 -7.556 1.00 25.24 H new ATOM 0 HA SER A 4 1.787 4.605 -7.948 1.00 42.22 H new ATOM 0 HB2 SER A 4 3.977 4.057 -7.103 1.00 72.23 H new ATOM 0 HB3 SER A 4 4.349 3.064 -8.498 1.00 72.23 H new ATOM 0 HG SER A 4 5.325 5.164 -8.630 1.00 52.43 H new ATOM 40 N MET A 5 2.498 2.982 -10.744 1.00 41.54 N ATOM 41 CA MET A 5 2.318 3.010 -12.190 1.00 62.03 C ATOM 42 C MET A 5 1.573 1.768 -12.670 1.00 45.23 C ATOM 43 O MET A 5 1.292 0.862 -11.887 1.00 4.24 O ATOM 44 CB MET A 5 3.674 3.109 -12.893 1.00 51.55 C ATOM 45 CG MET A 5 4.602 1.944 -12.587 1.00 30.02 C ATOM 46 SD MET A 5 5.637 2.242 -11.141 1.00 52.10 S ATOM 47 CE MET A 5 7.244 2.434 -11.909 1.00 3.41 C ATOM 0 H MET A 5 2.963 2.145 -10.393 1.00 41.54 H new ATOM 0 HA MET A 5 1.722 3.888 -12.439 1.00 62.03 H new ATOM 0 HB2 MET A 5 3.513 3.162 -13.970 1.00 51.55 H new ATOM 0 HB3 MET A 5 4.161 4.038 -12.597 1.00 51.55 H new ATOM 0 HG2 MET A 5 4.008 1.044 -12.425 1.00 30.02 H new ATOM 0 HG3 MET A 5 5.238 1.754 -13.452 1.00 30.02 H new ATOM 0 HE1 MET A 5 7.994 2.625 -11.141 1.00 3.41 H new ATOM 0 HE2 MET A 5 7.501 1.522 -12.448 1.00 3.41 H new ATOM 0 HE3 MET A 5 7.217 3.272 -12.605 1.00 3.41 H new ATOM 57 N SER A 6 1.258 1.734 -13.961 1.00 44.34 N ATOM 58 CA SER A 6 0.542 0.605 -14.543 1.00 64.43 C ATOM 59 C SER A 6 1.182 0.177 -15.860 1.00 62.14 C ATOM 60 O SER A 6 1.675 1.007 -16.624 1.00 73.31 O ATOM 61 CB SER A 6 -0.927 0.968 -14.771 1.00 31.11 C ATOM 62 OG SER A 6 -1.093 1.680 -15.985 1.00 14.24 O ATOM 0 H SER A 6 1.487 2.475 -14.623 1.00 44.34 H new ATOM 0 HA SER A 6 0.598 -0.229 -13.843 1.00 64.43 H new ATOM 0 HB2 SER A 6 -1.530 0.060 -14.792 1.00 31.11 H new ATOM 0 HB3 SER A 6 -1.289 1.572 -13.939 1.00 31.11 H new ATOM 0 HG SER A 6 -2.040 1.899 -16.109 1.00 14.24 H new ATOM 68 N VAL A 7 1.172 -1.128 -16.119 1.00 10.34 N ATOM 69 CA VAL A 7 1.750 -1.668 -17.344 1.00 2.44 C ATOM 70 C VAL A 7 0.707 -1.758 -18.451 1.00 5.32 C ATOM 71 O VAL A 7 -0.469 -2.020 -18.193 1.00 24.25 O ATOM 72 CB VAL A 7 2.356 -3.064 -17.109 1.00 52.12 C ATOM 73 CG1 VAL A 7 2.976 -3.599 -18.391 1.00 54.24 C ATOM 74 CG2 VAL A 7 3.383 -3.018 -15.988 1.00 43.52 C ATOM 0 H VAL A 7 0.770 -1.830 -15.497 1.00 10.34 H new ATOM 0 HA VAL A 7 2.541 -0.983 -17.650 1.00 2.44 H new ATOM 0 HB VAL A 7 1.557 -3.742 -16.810 1.00 52.12 H new ATOM 0 HG11 VAL A 7 3.399 -4.586 -18.206 1.00 54.24 H new ATOM 0 HG12 VAL A 7 2.210 -3.671 -19.163 1.00 54.24 H new ATOM 0 HG13 VAL A 7 3.764 -2.923 -18.724 1.00 54.24 H new ATOM 0 HG21 VAL A 7 3.801 -4.013 -15.836 1.00 43.52 H new ATOM 0 HG22 VAL A 7 4.182 -2.326 -16.255 1.00 43.52 H new ATOM 0 HG23 VAL A 7 2.903 -2.682 -15.069 1.00 43.52 H new ATOM 84 N THR A 8 1.143 -1.539 -19.688 1.00 15.13 N ATOM 85 CA THR A 8 0.248 -1.596 -20.836 1.00 55.12 C ATOM 86 C THR A 8 0.517 -2.833 -21.685 1.00 32.31 C ATOM 87 O THR A 8 1.641 -3.053 -22.137 1.00 11.22 O ATOM 88 CB THR A 8 0.387 -0.341 -21.719 1.00 32.32 C ATOM 89 OG1 THR A 8 0.233 0.839 -20.922 1.00 2.03 O ATOM 90 CG2 THR A 8 -0.649 -0.345 -22.832 1.00 55.11 C ATOM 0 H THR A 8 2.112 -1.320 -19.920 1.00 15.13 H new ATOM 0 HA THR A 8 -0.767 -1.645 -20.442 1.00 55.12 H new ATOM 0 HB THR A 8 1.380 -0.349 -22.168 1.00 32.32 H new ATOM 0 HG1 THR A 8 0.324 1.632 -21.491 1.00 2.03 H new ATOM 0 HG21 THR A 8 -0.531 0.551 -23.442 1.00 55.11 H new ATOM 0 HG22 THR A 8 -0.511 -1.229 -23.455 1.00 55.11 H new ATOM 0 HG23 THR A 8 -1.649 -0.360 -22.398 1.00 55.11 H new ATOM 98 N ILE A 9 -0.520 -3.636 -21.897 1.00 40.31 N ATOM 99 CA ILE A 9 -0.392 -4.850 -22.694 1.00 3.44 C ATOM 100 C ILE A 9 -1.219 -4.758 -23.972 1.00 62.44 C ATOM 101 O ILE A 9 -2.359 -4.291 -23.955 1.00 5.32 O ATOM 102 CB ILE A 9 -0.835 -6.093 -21.899 1.00 0.54 C ATOM 103 CG1 ILE A 9 -0.726 -7.348 -22.769 1.00 33.21 C ATOM 104 CG2 ILE A 9 -2.257 -5.918 -21.389 1.00 54.44 C ATOM 105 CD1 ILE A 9 -1.149 -8.613 -22.060 1.00 32.30 C ATOM 0 H ILE A 9 -1.456 -3.469 -21.529 1.00 40.31 H new ATOM 0 HA ILE A 9 0.662 -4.949 -22.952 1.00 3.44 H new ATOM 0 HB ILE A 9 -0.174 -6.210 -21.040 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -1.341 -7.217 -23.659 1.00 33.21 H new ATOM 0 HG13 ILE A 9 0.305 -7.458 -23.107 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -2.555 -6.805 -20.830 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -2.305 -5.045 -20.738 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -2.932 -5.778 -22.234 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -1.046 -9.461 -22.737 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.518 -8.768 -21.185 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -2.189 -8.524 -21.746 1.00 32.30 H new ATOM 117 N TYR A 10 -0.638 -5.208 -25.079 1.00 4.54 N ATOM 118 CA TYR A 10 -1.321 -5.174 -26.367 1.00 30.24 C ATOM 119 C TYR A 10 -1.696 -6.582 -26.820 1.00 22.21 C ATOM 120 O TYR A 10 -1.104 -7.567 -26.382 1.00 41.11 O ATOM 121 CB TYR A 10 -0.435 -4.507 -27.421 1.00 22.32 C ATOM 122 CG TYR A 10 -0.154 -3.049 -27.139 1.00 34.41 C ATOM 123 CD1 TYR A 10 0.703 -2.671 -26.113 1.00 15.21 C ATOM 124 CD2 TYR A 10 -0.744 -2.048 -27.901 1.00 54.11 C ATOM 125 CE1 TYR A 10 0.963 -1.340 -25.852 1.00 22.30 C ATOM 126 CE2 TYR A 10 -0.490 -0.714 -27.648 1.00 20.31 C ATOM 127 CZ TYR A 10 0.364 -0.365 -26.623 1.00 60.44 C ATOM 128 OH TYR A 10 0.621 0.963 -26.367 1.00 41.33 O ATOM 0 H TYR A 10 0.303 -5.600 -25.110 1.00 4.54 H new ATOM 0 HA TYR A 10 -2.235 -4.592 -26.250 1.00 30.24 H new ATOM 0 HB2 TYR A 10 0.511 -5.046 -27.482 1.00 22.32 H new ATOM 0 HB3 TYR A 10 -0.915 -4.594 -28.396 1.00 22.32 H new ATOM 0 HD1 TYR A 10 1.174 -3.432 -25.509 1.00 15.21 H new ATOM 0 HD2 TYR A 10 -1.413 -2.318 -28.705 1.00 54.11 H new ATOM 0 HE1 TYR A 10 1.631 -1.064 -25.049 1.00 22.30 H new ATOM 0 HE2 TYR A 10 -0.958 0.051 -28.250 1.00 20.31 H new ATOM 0 HH TYR A 10 0.122 1.521 -27.000 1.00 41.33 H new ATOM 138 N GLY A 11 -2.687 -6.668 -27.702 1.00 41.24 N ATOM 139 CA GLY A 11 -3.127 -7.959 -28.202 1.00 3.41 C ATOM 140 C GLY A 11 -4.197 -7.834 -29.267 1.00 42.14 C ATOM 141 O GLY A 11 -4.350 -6.778 -29.883 1.00 61.14 O ATOM 0 H GLY A 11 -3.193 -5.867 -28.080 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -2.272 -8.497 -28.612 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -3.511 -8.554 -27.374 1.00 3.41 H new ATOM 145 N ILE A 12 -4.939 -8.914 -29.488 1.00 0.23 N ATOM 146 CA ILE A 12 -6.000 -8.920 -30.487 1.00 21.20 C ATOM 147 C ILE A 12 -7.196 -9.742 -30.014 1.00 0.25 C ATOM 148 O ILE A 12 -7.161 -10.348 -28.943 1.00 72.24 O ATOM 149 CB ILE A 12 -5.503 -9.485 -31.831 1.00 70.51 C ATOM 150 CG1 ILE A 12 -4.959 -10.903 -31.644 1.00 34.24 C ATOM 151 CG2 ILE A 12 -4.438 -8.576 -32.425 1.00 63.31 C ATOM 152 CD1 ILE A 12 -5.115 -11.776 -32.870 1.00 42.40 C ATOM 0 H ILE A 12 -4.825 -9.796 -28.989 1.00 0.23 H new ATOM 0 HA ILE A 12 -6.307 -7.884 -30.628 1.00 21.20 H new ATOM 0 HB ILE A 12 -6.343 -9.528 -32.524 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -3.903 -10.847 -31.380 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -5.473 -11.373 -30.805 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -4.096 -8.988 -33.374 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -4.857 -7.584 -32.590 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -3.596 -8.504 -31.737 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -4.708 -12.766 -32.666 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -6.172 -11.863 -33.123 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -4.578 -11.328 -33.706 1.00 42.40 H new ATOM 164 N LYS A 13 -8.251 -9.758 -30.821 1.00 73.52 N ATOM 165 CA LYS A 13 -9.457 -10.506 -30.488 1.00 71.53 C ATOM 166 C LYS A 13 -9.290 -11.985 -30.823 1.00 42.41 C ATOM 167 O LYS A 13 -9.450 -12.847 -29.961 1.00 70.40 O ATOM 168 CB LYS A 13 -10.660 -9.935 -31.243 1.00 10.01 C ATOM 169 CG LYS A 13 -11.979 -10.591 -30.869 1.00 12.21 C ATOM 170 CD LYS A 13 -13.085 -10.211 -31.839 1.00 11.45 C ATOM 171 CE LYS A 13 -13.789 -8.933 -31.409 1.00 71.10 C ATOM 172 NZ LYS A 13 -14.433 -8.240 -32.558 1.00 71.14 N ATOM 0 H LYS A 13 -8.295 -9.261 -31.711 1.00 73.52 H new ATOM 0 HA LYS A 13 -9.629 -10.411 -29.416 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -10.727 -8.865 -31.047 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -10.496 -10.053 -32.314 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -11.858 -11.674 -30.860 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -12.261 -10.293 -29.859 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -12.666 -10.079 -32.837 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -13.809 -11.023 -31.903 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -14.543 -9.169 -30.658 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -13.070 -8.263 -30.938 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -14.902 -7.374 -32.223 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -13.710 -7.992 -33.263 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -15.138 -8.869 -32.992 1.00 71.14 H new ATOM 186 N ASN A 14 -8.964 -12.270 -32.080 1.00 14.55 N ATOM 187 CA ASN A 14 -8.773 -13.644 -32.527 1.00 43.33 C ATOM 188 C ASN A 14 -7.446 -14.202 -32.022 1.00 4.54 C ATOM 189 O ASN A 14 -6.494 -14.356 -32.788 1.00 13.15 O ATOM 190 CB ASN A 14 -8.821 -13.717 -34.055 1.00 12.44 C ATOM 191 CG ASN A 14 -9.879 -12.804 -34.644 1.00 1.15 C ATOM 192 OD1 ASN A 14 -9.563 -11.821 -35.316 1.00 11.24 O ATOM 193 ND2 ASN A 14 -11.144 -13.125 -34.393 1.00 4.23 N ATOM 0 H ASN A 14 -8.827 -11.567 -32.806 1.00 14.55 H new ATOM 0 HA ASN A 14 -9.581 -14.249 -32.115 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -7.846 -13.447 -34.460 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -9.020 -14.744 -34.361 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -11.900 -12.548 -34.762 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -11.359 -13.949 -33.831 1.00 4.23 H new ATOM 200 N CYS A 15 -7.391 -14.503 -30.729 1.00 13.42 N ATOM 201 CA CYS A 15 -6.180 -15.044 -30.121 1.00 5.12 C ATOM 202 C CYS A 15 -6.509 -15.808 -28.842 1.00 45.42 C ATOM 203 O CYS A 15 -7.468 -15.483 -28.142 1.00 62.11 O ATOM 204 CB CYS A 15 -5.191 -13.918 -29.817 1.00 22.14 C ATOM 205 SG CYS A 15 -3.566 -14.491 -29.269 1.00 2.24 S ATOM 0 H CYS A 15 -8.170 -14.382 -30.082 1.00 13.42 H new ATOM 0 HA CYS A 15 -5.725 -15.736 -30.829 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -5.066 -13.307 -30.711 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -5.616 -13.274 -29.047 1.00 22.14 H new ATOM 0 HG CYS A 15 -3.124 -15.395 -30.092 1.00 2.24 H new ATOM 211 N ASP A 16 -5.708 -16.825 -28.546 1.00 14.03 N ATOM 212 CA ASP A 16 -5.914 -17.637 -27.352 1.00 11.23 C ATOM 213 C ASP A 16 -4.878 -17.302 -26.282 1.00 34.34 C ATOM 214 O ASP A 16 -5.163 -17.368 -25.086 1.00 45.12 O ATOM 215 CB ASP A 16 -5.841 -19.124 -27.702 1.00 50.21 C ATOM 216 CG ASP A 16 -4.706 -19.439 -28.656 1.00 54.43 C ATOM 217 OD1 ASP A 16 -4.851 -19.154 -29.863 1.00 34.04 O ATOM 218 OD2 ASP A 16 -3.674 -19.973 -28.197 1.00 34.14 O ATOM 0 H ASP A 16 -4.910 -17.107 -29.116 1.00 14.03 H new ATOM 0 HA ASP A 16 -6.905 -17.413 -26.956 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -5.715 -19.704 -26.788 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -6.785 -19.436 -28.149 1.00 50.21 H new ATOM 223 N THR A 17 -3.676 -16.943 -26.721 1.00 62.21 N ATOM 224 CA THR A 17 -2.598 -16.600 -25.802 1.00 10.24 C ATOM 225 C THR A 17 -3.036 -15.518 -24.822 1.00 43.54 C ATOM 226 O THR A 17 -2.777 -15.612 -23.622 1.00 32.13 O ATOM 227 CB THR A 17 -1.347 -16.117 -26.559 1.00 64.53 C ATOM 228 OG1 THR A 17 -1.031 -17.030 -27.616 1.00 51.14 O ATOM 229 CG2 THR A 17 -0.159 -15.993 -25.617 1.00 13.05 C ATOM 0 H THR A 17 -3.424 -16.882 -27.708 1.00 62.21 H new ATOM 0 HA THR A 17 -2.351 -17.507 -25.251 1.00 10.24 H new ATOM 0 HB THR A 17 -1.561 -15.135 -26.980 1.00 64.53 H new ATOM 0 HG1 THR A 17 -0.235 -16.715 -28.094 1.00 51.14 H new ATOM 0 HG21 THR A 17 0.713 -15.650 -26.174 1.00 13.05 H new ATOM 0 HG22 THR A 17 -0.392 -15.275 -24.830 1.00 13.05 H new ATOM 0 HG23 THR A 17 0.054 -16.964 -25.171 1.00 13.05 H new ATOM 237 N MET A 18 -3.698 -14.490 -25.340 1.00 61.22 N ATOM 238 CA MET A 18 -4.173 -13.389 -24.509 1.00 4.42 C ATOM 239 C MET A 18 -4.978 -13.911 -23.323 1.00 72.34 C ATOM 240 O MET A 18 -4.876 -13.389 -22.213 1.00 54.40 O ATOM 241 CB MET A 18 -5.028 -12.427 -25.337 1.00 41.43 C ATOM 242 CG MET A 18 -4.303 -11.856 -26.545 1.00 42.31 C ATOM 243 SD MET A 18 -2.831 -10.919 -26.092 1.00 61.21 S ATOM 244 CE MET A 18 -3.523 -9.734 -24.941 1.00 35.43 C ATOM 0 H MET A 18 -3.918 -14.395 -26.331 1.00 61.22 H new ATOM 0 HA MET A 18 -3.303 -12.854 -24.128 1.00 4.42 H new ATOM 0 HB2 MET A 18 -5.924 -12.948 -25.674 1.00 41.43 H new ATOM 0 HB3 MET A 18 -5.358 -11.606 -24.700 1.00 41.43 H new ATOM 0 HG2 MET A 18 -4.020 -12.670 -27.212 1.00 42.31 H new ATOM 0 HG3 MET A 18 -4.983 -11.210 -27.101 1.00 42.31 H new ATOM 0 HE1 MET A 18 -2.978 -8.793 -25.016 1.00 35.43 H new ATOM 0 HE2 MET A 18 -4.573 -9.565 -25.180 1.00 35.43 H new ATOM 0 HE3 MET A 18 -3.439 -10.121 -23.926 1.00 35.43 H new ATOM 254 N LYS A 19 -5.778 -14.944 -23.566 1.00 34.45 N ATOM 255 CA LYS A 19 -6.600 -15.537 -22.518 1.00 44.21 C ATOM 256 C LYS A 19 -5.746 -15.946 -21.323 1.00 43.12 C ATOM 257 O LYS A 19 -6.041 -15.585 -20.184 1.00 22.52 O ATOM 258 CB LYS A 19 -7.352 -16.755 -23.060 1.00 42.21 C ATOM 259 CG LYS A 19 -8.378 -17.317 -22.093 1.00 0.44 C ATOM 260 CD LYS A 19 -9.527 -17.990 -22.826 1.00 30.12 C ATOM 261 CE LYS A 19 -10.241 -18.997 -21.937 1.00 54.50 C ATOM 262 NZ LYS A 19 -9.574 -20.328 -21.960 1.00 12.14 N ATOM 0 H LYS A 19 -5.874 -15.388 -24.479 1.00 34.45 H new ATOM 0 HA LYS A 19 -7.321 -14.788 -22.189 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -7.853 -16.479 -23.988 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -6.632 -17.535 -23.307 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -7.898 -18.036 -21.429 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -8.766 -16.514 -21.466 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -10.236 -17.235 -23.165 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -9.148 -18.493 -23.716 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -10.269 -18.622 -20.914 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -11.275 -19.103 -22.266 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -10.091 -20.986 -21.342 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -9.570 -20.697 -22.932 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -8.595 -20.232 -21.622 1.00 12.14 H new ATOM 276 N LYS A 20 -4.685 -16.700 -21.588 1.00 34.44 N ATOM 277 CA LYS A 20 -3.786 -17.156 -20.534 1.00 13.54 C ATOM 278 C LYS A 20 -3.073 -15.977 -19.881 1.00 54.33 C ATOM 279 O LYS A 20 -2.930 -15.926 -18.660 1.00 71.32 O ATOM 280 CB LYS A 20 -2.758 -18.137 -21.103 1.00 51.40 C ATOM 281 CG LYS A 20 -3.380 -19.314 -21.834 1.00 41.13 C ATOM 282 CD LYS A 20 -2.469 -20.531 -21.807 1.00 21.45 C ATOM 283 CE LYS A 20 -3.210 -21.790 -22.230 1.00 33.50 C ATOM 284 NZ LYS A 20 -2.288 -22.808 -22.807 1.00 30.33 N ATOM 0 H LYS A 20 -4.426 -17.009 -22.525 1.00 34.44 H new ATOM 0 HA LYS A 20 -4.382 -17.663 -19.775 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -2.098 -17.603 -21.787 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -2.137 -18.512 -20.289 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -4.337 -19.564 -21.375 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -3.585 -19.035 -22.867 1.00 41.13 H new ATOM 0 HD2 LYS A 20 -1.620 -20.366 -22.471 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -2.067 -20.664 -20.803 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -3.727 -22.214 -21.369 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -3.973 -21.533 -22.965 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -2.831 -23.651 -23.083 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -1.814 -22.412 -23.644 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -1.575 -23.072 -22.098 1.00 30.33 H new ATOM 298 N ALA A 21 -2.628 -15.031 -20.702 1.00 53.12 N ATOM 299 CA ALA A 21 -1.933 -13.851 -20.203 1.00 1.22 C ATOM 300 C ALA A 21 -2.815 -13.059 -19.243 1.00 43.50 C ATOM 301 O ALA A 21 -2.366 -12.637 -18.177 1.00 22.15 O ATOM 302 CB ALA A 21 -1.488 -12.971 -21.362 1.00 20.30 C ATOM 0 H ALA A 21 -2.737 -15.059 -21.716 1.00 53.12 H new ATOM 0 HA ALA A 21 -1.052 -14.184 -19.655 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -0.970 -12.093 -20.975 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.814 -13.534 -22.008 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -2.360 -12.655 -21.934 1.00 20.30 H new ATOM 308 N ARG A 22 -4.072 -12.860 -19.629 1.00 25.34 N ATOM 309 CA ARG A 22 -5.016 -12.118 -18.803 1.00 62.34 C ATOM 310 C ARG A 22 -5.303 -12.862 -17.501 1.00 32.15 C ATOM 311 O ARG A 22 -5.240 -12.284 -16.417 1.00 70.51 O ATOM 312 CB ARG A 22 -6.319 -11.883 -19.567 1.00 44.13 C ATOM 313 CG ARG A 22 -6.177 -10.916 -20.731 1.00 55.33 C ATOM 314 CD ARG A 22 -7.468 -10.809 -21.528 1.00 32.33 C ATOM 315 NE ARG A 22 -7.718 -12.005 -22.327 1.00 60.44 N ATOM 316 CZ ARG A 22 -8.666 -12.084 -23.255 1.00 11.23 C ATOM 317 NH1 ARG A 22 -9.447 -11.042 -23.499 1.00 3.41 N ATOM 318 NH2 ARG A 22 -8.832 -13.208 -23.941 1.00 10.54 N ATOM 0 H ARG A 22 -4.459 -13.202 -20.508 1.00 25.34 H new ATOM 0 HA ARG A 22 -4.567 -11.155 -18.559 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.688 -12.838 -19.942 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -7.071 -11.500 -18.877 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -5.897 -9.932 -20.355 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -5.371 -11.248 -21.385 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -8.303 -10.648 -20.846 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -7.419 -9.939 -22.183 1.00 32.33 H new ATOM 0 HE ARG A 22 -7.133 -12.825 -22.164 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -9.321 -10.177 -22.974 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -10.174 -11.105 -24.212 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -8.232 -14.012 -23.756 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -9.560 -13.268 -24.653 1.00 10.54 H new ATOM 332 N ILE A 23 -5.619 -14.148 -17.620 1.00 34.41 N ATOM 333 CA ILE A 23 -5.915 -14.970 -16.454 1.00 74.45 C ATOM 334 C ILE A 23 -4.750 -14.970 -15.469 1.00 44.23 C ATOM 335 O ILE A 23 -4.950 -14.967 -14.255 1.00 42.13 O ATOM 336 CB ILE A 23 -6.232 -16.423 -16.855 1.00 2.43 C ATOM 337 CG1 ILE A 23 -7.450 -16.464 -17.781 1.00 24.30 C ATOM 338 CG2 ILE A 23 -6.473 -17.275 -15.618 1.00 3.12 C ATOM 339 CD1 ILE A 23 -7.455 -17.650 -18.720 1.00 52.43 C ATOM 0 H ILE A 23 -5.676 -14.642 -18.511 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.792 -14.533 -15.976 1.00 74.45 H new ATOM 0 HB ILE A 23 -5.375 -16.831 -17.391 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -8.356 -16.486 -17.176 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -7.481 -15.546 -18.368 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -6.696 -18.299 -15.919 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -5.581 -17.267 -14.991 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -7.315 -16.871 -15.056 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -8.347 -17.615 -19.346 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.567 -17.618 -19.351 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -7.455 -18.573 -18.140 1.00 52.43 H new ATOM 351 N TRP A 24 -3.534 -14.972 -16.002 1.00 31.51 N ATOM 352 CA TRP A 24 -2.336 -14.970 -15.171 1.00 62.05 C ATOM 353 C TRP A 24 -2.186 -13.643 -14.436 1.00 74.25 C ATOM 354 O TRP A 24 -2.074 -13.611 -13.209 1.00 4.31 O ATOM 355 CB TRP A 24 -1.096 -15.236 -16.027 1.00 3.42 C ATOM 356 CG TRP A 24 -0.017 -15.976 -15.295 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.271 -17.308 -15.388 1.00 42.14 C ATOM 358 CD2 TRP A 24 0.916 -15.426 -14.359 1.00 0.54 C ATOM 359 NE1 TRP A 24 1.327 -17.619 -14.564 1.00 71.32 N ATOM 360 CE2 TRP A 24 1.740 -16.481 -13.923 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.136 -14.144 -13.847 1.00 41.34 C ATOM 362 CZ2 TRP A 24 2.766 -16.293 -13.001 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.155 -13.959 -12.931 1.00 2.15 C ATOM 364 CH2 TRP A 24 2.960 -15.027 -12.517 1.00 64.41 C ATOM 0 H TRP A 24 -3.351 -14.975 -17.006 1.00 31.51 H new ATOM 0 HA TRP A 24 -2.436 -15.764 -14.431 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -1.387 -15.809 -16.907 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.698 -14.286 -16.383 1.00 3.42 H new ATOM 0 HD1 TRP A 24 -0.253 -18.013 -16.016 1.00 42.14 H new ATOM 0 HE1 TRP A 24 1.736 -18.546 -14.449 1.00 71.32 H new ATOM 0 HE3 TRP A 24 0.521 -13.313 -14.161 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 3.387 -17.116 -12.679 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 2.333 -12.973 -12.528 1.00 2.15 H new ATOM 0 HH2 TRP A 24 3.749 -14.849 -11.802 1.00 64.41 H new ATOM 375 N LEU A 25 -2.183 -12.550 -15.191 1.00 11.33 N ATOM 376 CA LEU A 25 -2.046 -11.219 -14.609 1.00 44.32 C ATOM 377 C LEU A 25 -3.174 -10.938 -13.622 1.00 51.32 C ATOM 378 O LEU A 25 -2.952 -10.355 -12.561 1.00 43.22 O ATOM 379 CB LEU A 25 -2.043 -10.157 -15.712 1.00 70.24 C ATOM 380 CG LEU A 25 -0.669 -9.754 -16.250 1.00 60.23 C ATOM 381 CD1 LEU A 25 0.156 -9.089 -15.161 1.00 21.14 C ATOM 382 CD2 LEU A 25 0.061 -10.967 -16.810 1.00 3.23 C ATOM 0 H LEU A 25 -2.274 -12.559 -16.207 1.00 11.33 H new ATOM 0 HA LEU A 25 -1.099 -11.180 -14.071 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.644 -10.524 -16.544 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -2.538 -9.264 -15.331 1.00 70.24 H new ATOM 0 HG LEU A 25 -0.812 -9.036 -17.058 1.00 60.23 H new ATOM 0 HD11 LEU A 25 1.130 -8.809 -15.562 1.00 21.14 H new ATOM 0 HD12 LEU A 25 -0.360 -8.197 -14.807 1.00 21.14 H new ATOM 0 HD13 LEU A 25 0.291 -9.783 -14.332 1.00 21.14 H new ATOM 0 HD21 LEU A 25 1.037 -10.662 -17.188 1.00 3.23 H new ATOM 0 HD22 LEU A 25 0.193 -11.708 -16.022 1.00 3.23 H new ATOM 0 HD23 LEU A 25 -0.523 -11.401 -17.621 1.00 3.23 H new ATOM 394 N GLU A 26 -4.384 -11.359 -13.977 1.00 61.23 N ATOM 395 CA GLU A 26 -5.545 -11.154 -13.119 1.00 64.31 C ATOM 396 C GLU A 26 -5.460 -12.024 -11.869 1.00 74.22 C ATOM 397 O GLU A 26 -5.709 -11.559 -10.757 1.00 53.23 O ATOM 398 CB GLU A 26 -6.833 -11.466 -13.885 1.00 32.45 C ATOM 399 CG GLU A 26 -7.225 -10.389 -14.882 1.00 31.13 C ATOM 400 CD GLU A 26 -7.963 -9.233 -14.233 1.00 44.21 C ATOM 401 OE1 GLU A 26 -8.358 -9.369 -13.056 1.00 13.03 O ATOM 402 OE2 GLU A 26 -8.145 -8.195 -14.902 1.00 61.24 O ATOM 0 H GLU A 26 -4.586 -11.843 -14.852 1.00 61.23 H new ATOM 0 HA GLU A 26 -5.557 -10.108 -12.811 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -6.711 -12.411 -14.414 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -7.646 -11.602 -13.172 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -6.329 -10.012 -15.375 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -7.854 -10.828 -15.656 1.00 31.13 H new ATOM 409 N ASP A 27 -5.108 -13.291 -12.060 1.00 34.31 N ATOM 410 CA ASP A 27 -4.989 -14.228 -10.948 1.00 72.41 C ATOM 411 C ASP A 27 -4.000 -13.713 -9.908 1.00 33.14 C ATOM 412 O ASP A 27 -4.266 -13.761 -8.706 1.00 3.11 O ATOM 413 CB ASP A 27 -4.547 -15.601 -11.457 1.00 42.32 C ATOM 414 CG ASP A 27 -4.380 -16.607 -10.334 1.00 63.52 C ATOM 415 OD1 ASP A 27 -5.379 -17.265 -9.975 1.00 45.10 O ATOM 416 OD2 ASP A 27 -3.250 -16.736 -9.816 1.00 71.12 O ATOM 0 H ASP A 27 -4.900 -13.693 -12.974 1.00 34.31 H new ATOM 0 HA ASP A 27 -5.967 -14.322 -10.476 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -5.282 -15.975 -12.170 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -3.604 -15.500 -11.994 1.00 42.32 H new ATOM 421 N HIS A 28 -2.857 -13.223 -10.377 1.00 21.13 N ATOM 422 CA HIS A 28 -1.827 -12.699 -9.487 1.00 13.54 C ATOM 423 C HIS A 28 -2.341 -11.488 -8.714 1.00 43.42 C ATOM 424 O HIS A 28 -1.759 -11.090 -7.706 1.00 0.32 O ATOM 425 CB HIS A 28 -0.579 -12.319 -10.284 1.00 14.43 C ATOM 426 CG HIS A 28 0.659 -12.215 -9.447 1.00 55.54 C ATOM 427 ND1 HIS A 28 1.846 -11.697 -9.919 1.00 12.03 N ATOM 428 CD2 HIS A 28 0.888 -12.566 -8.160 1.00 71.45 C ATOM 429 CE1 HIS A 28 2.753 -11.735 -8.960 1.00 24.52 C ATOM 430 NE2 HIS A 28 2.198 -12.257 -7.881 1.00 21.13 N ATOM 0 H HIS A 28 -2.621 -13.178 -11.368 1.00 21.13 H new ATOM 0 HA HIS A 28 -1.568 -13.480 -8.772 1.00 13.54 H new ATOM 0 HB2 HIS A 28 -0.418 -13.061 -11.066 1.00 14.43 H new ATOM 0 HB3 HIS A 28 -0.752 -11.365 -10.781 1.00 14.43 H new ATOM 0 HD2 HIS A 28 0.175 -13.007 -7.479 1.00 71.45 H new ATOM 0 HE1 HIS A 28 3.775 -11.397 -9.044 1.00 24.52 H new ATOM 0 HE2 HIS A 28 2.665 -12.406 -6.987 1.00 21.13 H new ATOM 438 N GLY A 29 -3.434 -10.905 -9.196 1.00 43.32 N ATOM 439 CA GLY A 29 -4.007 -9.745 -8.539 1.00 61.30 C ATOM 440 C GLY A 29 -3.523 -8.440 -9.140 1.00 13.24 C ATOM 441 O GLY A 29 -3.623 -7.385 -8.512 1.00 52.32 O ATOM 0 H GLY A 29 -3.933 -11.215 -10.030 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -5.094 -9.792 -8.608 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -3.754 -9.769 -7.479 1.00 61.30 H new ATOM 445 N ILE A 30 -2.997 -8.511 -10.358 1.00 54.44 N ATOM 446 CA ILE A 30 -2.495 -7.326 -11.042 1.00 74.22 C ATOM 447 C ILE A 30 -3.424 -6.914 -12.179 1.00 61.31 C ATOM 448 O ILE A 30 -4.072 -7.755 -12.802 1.00 14.22 O ATOM 449 CB ILE A 30 -1.082 -7.560 -11.609 1.00 33.02 C ATOM 450 CG1 ILE A 30 -0.160 -8.120 -10.524 1.00 74.32 C ATOM 451 CG2 ILE A 30 -0.518 -6.265 -12.174 1.00 52.12 C ATOM 452 CD1 ILE A 30 1.209 -8.510 -11.037 1.00 25.45 C ATOM 0 H ILE A 30 -2.907 -9.376 -10.891 1.00 54.44 H new ATOM 0 HA ILE A 30 -2.453 -6.527 -10.301 1.00 74.22 H new ATOM 0 HB ILE A 30 -1.146 -8.289 -12.417 1.00 33.02 H new ATOM 0 HG12 ILE A 30 -0.045 -7.376 -9.736 1.00 74.32 H new ATOM 0 HG13 ILE A 30 -0.632 -8.992 -10.072 1.00 74.32 H new ATOM 0 HG21 ILE A 30 0.481 -6.446 -12.571 1.00 52.12 H new ATOM 0 HG22 ILE A 30 -1.166 -5.904 -12.973 1.00 52.12 H new ATOM 0 HG23 ILE A 30 -0.464 -5.516 -11.384 1.00 52.12 H new ATOM 0 HD11 ILE A 30 1.809 -8.899 -10.214 1.00 25.45 H new ATOM 0 HD12 ILE A 30 1.105 -9.277 -11.804 1.00 25.45 H new ATOM 0 HD13 ILE A 30 1.701 -7.635 -11.463 1.00 25.45 H new ATOM 464 N ASP A 31 -3.483 -5.613 -12.445 1.00 75.12 N ATOM 465 CA ASP A 31 -4.331 -5.088 -13.509 1.00 21.24 C ATOM 466 C ASP A 31 -3.488 -4.472 -14.621 1.00 75.12 C ATOM 467 O ASP A 31 -2.711 -3.546 -14.384 1.00 63.43 O ATOM 468 CB ASP A 31 -5.301 -4.047 -12.950 1.00 24.41 C ATOM 469 CG ASP A 31 -6.411 -3.707 -13.926 1.00 12.42 C ATOM 470 OD1 ASP A 31 -6.362 -4.196 -15.072 1.00 60.30 O ATOM 471 OD2 ASP A 31 -7.327 -2.949 -13.542 1.00 24.32 O ATOM 0 H ASP A 31 -2.954 -4.903 -11.938 1.00 75.12 H new ATOM 0 HA ASP A 31 -4.902 -5.917 -13.928 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -5.737 -4.422 -12.024 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -4.751 -3.140 -12.699 1.00 24.41 H new ATOM 476 N TYR A 32 -3.648 -4.991 -15.833 1.00 1.34 N ATOM 477 CA TYR A 32 -2.899 -4.494 -16.981 1.00 14.55 C ATOM 478 C TYR A 32 -3.824 -3.803 -17.978 1.00 23.04 C ATOM 479 O TYR A 32 -5.014 -4.109 -18.055 1.00 43.04 O ATOM 480 CB TYR A 32 -2.157 -5.641 -17.669 1.00 44.01 C ATOM 481 CG TYR A 32 -0.754 -5.854 -17.147 1.00 2.43 C ATOM 482 CD1 TYR A 32 -0.476 -5.763 -15.788 1.00 2.21 C ATOM 483 CD2 TYR A 32 0.293 -6.147 -18.011 1.00 41.42 C ATOM 484 CE1 TYR A 32 0.804 -5.957 -15.306 1.00 1.10 C ATOM 485 CE2 TYR A 32 1.576 -6.344 -17.538 1.00 0.12 C ATOM 486 CZ TYR A 32 1.827 -6.248 -16.185 1.00 70.01 C ATOM 487 OH TYR A 32 3.104 -6.441 -15.709 1.00 34.31 O ATOM 0 H TYR A 32 -4.289 -5.755 -16.046 1.00 1.34 H new ATOM 0 HA TYR A 32 -2.173 -3.765 -16.620 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -2.727 -6.561 -17.540 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -2.111 -5.442 -18.740 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -1.275 -5.537 -15.097 1.00 2.21 H new ATOM 0 HD2 TYR A 32 0.101 -6.222 -19.071 1.00 41.42 H new ATOM 0 HE1 TYR A 32 1.003 -5.881 -14.247 1.00 1.10 H new ATOM 0 HE2 TYR A 32 2.378 -6.572 -18.224 1.00 0.12 H new ATOM 0 HH TYR A 32 3.706 -6.638 -16.457 1.00 34.31 H new ATOM 497 N THR A 33 -3.269 -2.866 -18.741 1.00 12.42 N ATOM 498 CA THR A 33 -4.042 -2.130 -19.732 1.00 70.00 C ATOM 499 C THR A 33 -4.170 -2.921 -21.028 1.00 44.51 C ATOM 500 O THR A 33 -3.202 -3.071 -21.775 1.00 22.54 O ATOM 501 CB THR A 33 -3.404 -0.762 -20.040 1.00 0.30 C ATOM 502 OG1 THR A 33 -2.763 -0.246 -18.869 1.00 62.20 O ATOM 503 CG2 THR A 33 -4.452 0.227 -20.528 1.00 52.41 C ATOM 0 H THR A 33 -2.286 -2.599 -18.691 1.00 12.42 H new ATOM 0 HA THR A 33 -5.033 -1.973 -19.306 1.00 70.00 H new ATOM 0 HB THR A 33 -2.664 -0.901 -20.828 1.00 0.30 H new ATOM 0 HG1 THR A 33 -1.918 -0.720 -18.723 1.00 62.20 H new ATOM 0 HG21 THR A 33 -3.978 1.185 -20.739 1.00 52.41 H new ATOM 0 HG22 THR A 33 -4.918 -0.155 -21.436 1.00 52.41 H new ATOM 0 HG23 THR A 33 -5.213 0.360 -19.759 1.00 52.41 H new ATOM 511 N PHE A 34 -5.370 -3.427 -21.291 1.00 20.02 N ATOM 512 CA PHE A 34 -5.625 -4.205 -22.499 1.00 51.35 C ATOM 513 C PHE A 34 -5.792 -3.290 -23.709 1.00 63.42 C ATOM 514 O PHE A 34 -6.697 -2.456 -23.751 1.00 51.44 O ATOM 515 CB PHE A 34 -6.876 -5.068 -22.321 1.00 74.40 C ATOM 516 CG PHE A 34 -7.248 -5.846 -23.551 1.00 73.23 C ATOM 517 CD1 PHE A 34 -6.323 -6.672 -24.170 1.00 15.04 C ATOM 518 CD2 PHE A 34 -8.521 -5.749 -24.089 1.00 54.34 C ATOM 519 CE1 PHE A 34 -6.662 -7.389 -25.302 1.00 11.43 C ATOM 520 CE2 PHE A 34 -8.866 -6.464 -25.220 1.00 31.14 C ATOM 521 CZ PHE A 34 -7.935 -7.284 -25.828 1.00 71.33 C ATOM 0 H PHE A 34 -6.182 -3.313 -20.684 1.00 20.02 H new ATOM 0 HA PHE A 34 -4.766 -4.854 -22.672 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -6.714 -5.763 -21.497 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -7.712 -4.428 -22.039 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -5.326 -6.756 -23.763 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -9.252 -5.107 -23.619 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -5.933 -8.030 -25.775 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -9.862 -6.382 -25.628 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.202 -7.842 -26.713 1.00 71.33 H new ATOM 531 N HIS A 35 -4.914 -3.454 -24.693 1.00 30.12 N ATOM 532 CA HIS A 35 -4.963 -2.645 -25.905 1.00 4.21 C ATOM 533 C HIS A 35 -5.047 -3.528 -27.145 1.00 71.42 C ATOM 534 O HIS A 35 -4.059 -4.140 -27.552 1.00 23.35 O ATOM 535 CB HIS A 35 -3.733 -1.740 -25.990 1.00 32.13 C ATOM 536 CG HIS A 35 -3.766 -0.792 -27.150 1.00 2.30 C ATOM 537 ND1 HIS A 35 -3.673 -1.206 -28.462 1.00 73.35 N ATOM 538 CD2 HIS A 35 -3.883 0.556 -27.188 1.00 54.12 C ATOM 539 CE1 HIS A 35 -3.730 -0.153 -29.257 1.00 51.22 C ATOM 540 NE2 HIS A 35 -3.858 0.929 -28.510 1.00 32.22 N ATOM 0 H HIS A 35 -4.160 -4.140 -24.675 1.00 30.12 H new ATOM 0 HA HIS A 35 -5.858 -2.025 -25.862 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -3.648 -1.168 -25.066 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -2.840 -2.360 -26.064 1.00 32.13 H new ATOM 0 HD2 HIS A 35 -3.978 1.215 -26.338 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -3.680 -0.173 -30.336 1.00 51.22 H new ATOM 0 HE2 HIS A 35 -3.927 1.885 -28.858 1.00 32.22 H new ATOM 548 N ASP A 36 -6.233 -3.591 -27.742 1.00 25.23 N ATOM 549 CA ASP A 36 -6.445 -4.399 -28.937 1.00 42.21 C ATOM 550 C ASP A 36 -6.049 -3.628 -30.193 1.00 1.23 C ATOM 551 O ASP A 36 -6.433 -2.472 -30.370 1.00 31.51 O ATOM 552 CB ASP A 36 -7.909 -4.835 -29.030 1.00 24.32 C ATOM 553 CG ASP A 36 -8.066 -6.205 -29.660 1.00 34.45 C ATOM 554 OD1 ASP A 36 -7.902 -7.212 -28.939 1.00 70.42 O ATOM 555 OD2 ASP A 36 -8.353 -6.271 -30.873 1.00 21.31 O ATOM 0 H ASP A 36 -7.061 -3.092 -27.418 1.00 25.23 H new ATOM 0 HA ASP A 36 -5.814 -5.285 -28.864 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -8.346 -4.845 -28.032 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.467 -4.103 -29.615 1.00 24.32 H new ATOM 560 N TYR A 37 -5.281 -4.276 -31.061 1.00 30.14 N ATOM 561 CA TYR A 37 -4.831 -3.651 -32.298 1.00 33.02 C ATOM 562 C TYR A 37 -5.987 -3.495 -33.282 1.00 52.25 C ATOM 563 O TYR A 37 -6.011 -2.565 -34.088 1.00 44.22 O ATOM 564 CB TYR A 37 -3.712 -4.477 -32.935 1.00 4.33 C ATOM 565 CG TYR A 37 -2.403 -4.406 -32.181 1.00 34.33 C ATOM 566 CD1 TYR A 37 -1.806 -3.184 -31.898 1.00 30.14 C ATOM 567 CD2 TYR A 37 -1.764 -5.563 -31.750 1.00 74.22 C ATOM 568 CE1 TYR A 37 -0.611 -3.116 -31.210 1.00 74.45 C ATOM 569 CE2 TYR A 37 -0.569 -5.504 -31.060 1.00 34.11 C ATOM 570 CZ TYR A 37 0.004 -4.278 -30.793 1.00 12.12 C ATOM 571 OH TYR A 37 1.195 -4.213 -30.106 1.00 41.03 O ATOM 0 H TYR A 37 -4.957 -5.234 -30.931 1.00 30.14 H new ATOM 0 HA TYR A 37 -4.448 -2.660 -32.055 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -4.030 -5.518 -32.997 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -3.553 -4.131 -33.956 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -2.285 -2.272 -32.222 1.00 30.14 H new ATOM 0 HD2 TYR A 37 -2.210 -6.524 -31.958 1.00 74.22 H new ATOM 0 HE1 TYR A 37 -0.160 -2.158 -30.999 1.00 74.45 H new ATOM 0 HE2 TYR A 37 -0.086 -6.412 -30.731 1.00 34.11 H new ATOM 0 HH TYR A 37 1.494 -5.119 -29.884 1.00 41.03 H new ATOM 581 N LYS A 38 -6.944 -4.414 -33.210 1.00 0.11 N ATOM 582 CA LYS A 38 -8.104 -4.381 -34.091 1.00 54.34 C ATOM 583 C LYS A 38 -9.075 -3.283 -33.671 1.00 63.30 C ATOM 584 O LYS A 38 -9.379 -2.378 -34.449 1.00 51.11 O ATOM 585 CB LYS A 38 -8.816 -5.736 -34.082 1.00 63.31 C ATOM 586 CG LYS A 38 -9.641 -5.998 -35.331 1.00 54.42 C ATOM 587 CD LYS A 38 -10.132 -7.435 -35.382 1.00 63.40 C ATOM 588 CE LYS A 38 -11.047 -7.668 -36.575 1.00 74.30 C ATOM 589 NZ LYS A 38 -10.279 -7.836 -37.839 1.00 30.43 N ATOM 0 H LYS A 38 -6.938 -5.191 -32.550 1.00 0.11 H new ATOM 0 HA LYS A 38 -7.755 -4.167 -35.101 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -8.073 -6.527 -33.975 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -9.467 -5.789 -33.209 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -10.494 -5.320 -35.354 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -9.041 -5.786 -36.216 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -9.279 -8.111 -35.439 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -10.665 -7.672 -34.461 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -11.655 -8.556 -36.399 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -11.733 -6.827 -36.676 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -10.939 -7.993 -38.628 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -9.719 -6.979 -38.021 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -9.643 -8.654 -37.752 1.00 30.43 H new ATOM 603 N LYS A 39 -9.558 -3.367 -32.437 1.00 13.11 N ATOM 604 CA LYS A 39 -10.493 -2.379 -31.911 1.00 43.13 C ATOM 605 C LYS A 39 -9.930 -0.968 -32.050 1.00 2.14 C ATOM 606 O LYS A 39 -10.617 -0.059 -32.513 1.00 41.33 O ATOM 607 CB LYS A 39 -10.805 -2.672 -30.442 1.00 74.40 C ATOM 608 CG LYS A 39 -11.579 -3.961 -30.230 1.00 14.42 C ATOM 609 CD LYS A 39 -13.080 -3.728 -30.296 1.00 32.52 C ATOM 610 CE LYS A 39 -13.598 -3.841 -31.721 1.00 13.12 C ATOM 611 NZ LYS A 39 -15.072 -4.045 -31.761 1.00 4.24 N ATOM 0 H LYS A 39 -9.317 -4.110 -31.781 1.00 13.11 H new ATOM 0 HA LYS A 39 -11.413 -2.443 -32.491 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -9.870 -2.724 -29.884 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -11.378 -1.842 -30.028 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -11.289 -4.689 -30.988 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -11.318 -4.388 -29.261 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -13.590 -4.454 -29.663 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -13.314 -2.740 -29.900 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -13.341 -2.937 -32.273 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -13.103 -4.672 -32.223 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -15.386 -4.117 -32.750 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -15.315 -4.921 -31.256 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -15.546 -3.240 -31.305 1.00 4.24 H new ATOM 625 N GLU A 40 -8.674 -0.795 -31.649 1.00 43.23 N ATOM 626 CA GLU A 40 -8.019 0.505 -31.730 1.00 30.23 C ATOM 627 C GLU A 40 -7.646 0.837 -33.172 1.00 71.01 C ATOM 628 O GLU A 40 -7.573 2.004 -33.553 1.00 70.35 O ATOM 629 CB GLU A 40 -6.768 0.527 -30.849 1.00 33.12 C ATOM 630 CG GLU A 40 -7.070 0.452 -29.362 1.00 71.13 C ATOM 631 CD GLU A 40 -7.112 1.818 -28.706 1.00 51.30 C ATOM 632 OE1 GLU A 40 -7.851 2.694 -29.204 1.00 43.15 O ATOM 633 OE2 GLU A 40 -6.407 2.012 -27.692 1.00 11.55 O ATOM 0 H GLU A 40 -8.091 -1.538 -31.265 1.00 43.23 H new ATOM 0 HA GLU A 40 -8.719 1.259 -31.371 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -6.126 -0.310 -31.123 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -6.207 1.439 -31.052 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -8.027 -0.047 -29.214 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -6.313 -0.159 -28.872 1.00 71.13 H new ATOM 640 N GLY A 41 -7.407 -0.201 -33.969 1.00 12.45 N ATOM 641 CA GLY A 41 -7.043 0.000 -35.359 1.00 0.44 C ATOM 642 C GLY A 41 -5.585 0.379 -35.527 1.00 54.13 C ATOM 643 O GLY A 41 -5.213 1.540 -35.347 1.00 32.21 O ATOM 0 H GLY A 41 -7.459 -1.177 -33.676 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -7.245 -0.912 -35.920 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -7.670 0.782 -35.786 1.00 0.44 H new ATOM 647 N LEU A 42 -4.756 -0.601 -35.870 1.00 61.22 N ATOM 648 CA LEU A 42 -3.329 -0.364 -36.061 1.00 32.11 C ATOM 649 C LEU A 42 -3.083 0.541 -37.264 1.00 60.11 C ATOM 650 O LEU A 42 -3.618 0.309 -38.348 1.00 61.12 O ATOM 651 CB LEU A 42 -2.593 -1.692 -36.248 1.00 31.00 C ATOM 652 CG LEU A 42 -1.118 -1.704 -35.846 1.00 10.43 C ATOM 653 CD1 LEU A 42 -0.319 -0.747 -36.718 1.00 61.11 C ATOM 654 CD2 LEU A 42 -0.963 -1.344 -34.375 1.00 25.43 C ATOM 0 H LEU A 42 -5.047 -1.567 -36.021 1.00 61.22 H new ATOM 0 HA LEU A 42 -2.946 0.135 -35.171 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -3.113 -2.457 -35.671 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -2.665 -1.980 -37.297 1.00 31.00 H new ATOM 0 HG LEU A 42 -0.729 -2.711 -35.996 1.00 10.43 H new ATOM 0 HD11 LEU A 42 0.728 -0.769 -36.417 1.00 61.11 H new ATOM 0 HD12 LEU A 42 -0.403 -1.049 -37.762 1.00 61.11 H new ATOM 0 HD13 LEU A 42 -0.709 0.264 -36.601 1.00 61.11 H new ATOM 0 HD21 LEU A 42 0.093 -1.358 -34.106 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -1.369 -0.348 -34.199 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -1.502 -2.068 -33.764 1.00 25.43 H new ATOM 666 N ASP A 43 -2.269 1.572 -37.065 1.00 24.10 N ATOM 667 CA ASP A 43 -1.949 2.511 -38.134 1.00 33.24 C ATOM 668 C ASP A 43 -0.455 2.494 -38.443 1.00 21.14 C ATOM 669 O ASP A 43 0.340 1.948 -37.680 1.00 4.53 O ATOM 670 CB ASP A 43 -2.387 3.924 -37.749 1.00 14.14 C ATOM 671 CG ASP A 43 -2.091 4.247 -36.297 1.00 53.01 C ATOM 672 OD1 ASP A 43 -2.807 3.728 -35.415 1.00 4.11 O ATOM 673 OD2 ASP A 43 -1.142 5.018 -36.043 1.00 52.23 O ATOM 0 H ASP A 43 -1.819 1.779 -36.173 1.00 24.10 H new ATOM 0 HA ASP A 43 -2.490 2.203 -39.029 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -1.880 4.646 -38.389 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -3.456 4.032 -37.932 1.00 14.14 H new ATOM 678 N ALA A 44 -0.082 3.095 -39.568 1.00 11.33 N ATOM 679 CA ALA A 44 1.316 3.150 -39.977 1.00 41.31 C ATOM 680 C ALA A 44 2.187 3.745 -38.876 1.00 2.35 C ATOM 681 O ALA A 44 3.259 3.221 -38.570 1.00 3.31 O ATOM 682 CB ALA A 44 1.459 3.958 -41.259 1.00 54.41 C ATOM 0 H ALA A 44 -0.728 3.551 -40.212 1.00 11.33 H new ATOM 0 HA ALA A 44 1.655 2.131 -40.162 1.00 41.31 H new ATOM 0 HB1 ALA A 44 2.508 3.991 -41.553 1.00 54.41 H new ATOM 0 HB2 ALA A 44 0.875 3.490 -42.051 1.00 54.41 H new ATOM 0 HB3 ALA A 44 1.097 4.972 -41.092 1.00 54.41 H new ATOM 688 N GLU A 45 1.721 4.840 -38.285 1.00 21.11 N ATOM 689 CA GLU A 45 2.461 5.505 -37.218 1.00 32.33 C ATOM 690 C GLU A 45 2.843 4.515 -36.122 1.00 22.11 C ATOM 691 O GLU A 45 4.002 4.438 -35.714 1.00 3.32 O ATOM 692 CB GLU A 45 1.630 6.645 -36.624 1.00 25.10 C ATOM 693 CG GLU A 45 2.458 7.682 -35.887 1.00 65.44 C ATOM 694 CD GLU A 45 1.671 8.393 -34.803 1.00 54.25 C ATOM 695 OE1 GLU A 45 0.861 7.730 -34.124 1.00 35.42 O ATOM 696 OE2 GLU A 45 1.867 9.616 -34.634 1.00 31.22 O ATOM 0 H GLU A 45 0.836 5.286 -38.526 1.00 21.11 H new ATOM 0 HA GLU A 45 3.375 5.916 -37.647 1.00 32.33 H new ATOM 0 HB2 GLU A 45 1.078 7.136 -37.425 1.00 25.10 H new ATOM 0 HB3 GLU A 45 0.893 6.227 -35.938 1.00 25.10 H new ATOM 0 HG2 GLU A 45 3.327 7.198 -35.442 1.00 65.44 H new ATOM 0 HG3 GLU A 45 2.832 8.416 -36.600 1.00 65.44 H new ATOM 703 N THR A 46 1.858 3.758 -35.646 1.00 73.34 N ATOM 704 CA THR A 46 2.089 2.774 -34.596 1.00 14.20 C ATOM 705 C THR A 46 3.068 1.700 -35.055 1.00 20.44 C ATOM 706 O THR A 46 4.038 1.392 -34.360 1.00 51.10 O ATOM 707 CB THR A 46 0.774 2.100 -34.159 1.00 72.32 C ATOM 708 OG1 THR A 46 -0.320 3.011 -34.321 1.00 61.33 O ATOM 709 CG2 THR A 46 0.854 1.649 -32.708 1.00 1.32 C ATOM 0 H THR A 46 0.893 3.808 -35.972 1.00 73.34 H new ATOM 0 HA THR A 46 2.514 3.311 -33.748 1.00 14.20 H new ATOM 0 HB THR A 46 0.613 1.224 -34.787 1.00 72.32 H new ATOM 0 HG1 THR A 46 -1.165 2.535 -34.182 1.00 61.33 H new ATOM 0 HG21 THR A 46 -0.085 1.176 -32.422 1.00 1.32 H new ATOM 0 HG22 THR A 46 1.669 0.935 -32.593 1.00 1.32 H new ATOM 0 HG23 THR A 46 1.035 2.513 -32.068 1.00 1.32 H new ATOM 717 N LEU A 47 2.811 1.134 -36.228 1.00 41.05 N ATOM 718 CA LEU A 47 3.673 0.094 -36.781 1.00 30.54 C ATOM 719 C LEU A 47 5.121 0.565 -36.850 1.00 4.21 C ATOM 720 O LEU A 47 6.033 -0.130 -36.401 1.00 62.44 O ATOM 721 CB LEU A 47 3.188 -0.309 -38.175 1.00 40.43 C ATOM 722 CG LEU A 47 3.466 -1.754 -38.590 1.00 30.21 C ATOM 723 CD1 LEU A 47 4.962 -2.031 -38.591 1.00 72.53 C ATOM 724 CD2 LEU A 47 2.744 -2.724 -37.667 1.00 35.34 C ATOM 0 H LEU A 47 2.013 1.377 -36.815 1.00 41.05 H new ATOM 0 HA LEU A 47 3.625 -0.772 -36.121 1.00 30.54 H new ATOM 0 HB2 LEU A 47 2.113 -0.137 -38.228 1.00 40.43 H new ATOM 0 HB3 LEU A 47 3.653 0.354 -38.905 1.00 40.43 H new ATOM 0 HG LEU A 47 3.089 -1.899 -39.602 1.00 30.21 H new ATOM 0 HD11 LEU A 47 5.141 -3.064 -38.889 1.00 72.53 H new ATOM 0 HD12 LEU A 47 5.456 -1.360 -39.294 1.00 72.53 H new ATOM 0 HD13 LEU A 47 5.363 -1.867 -37.591 1.00 72.53 H new ATOM 0 HD21 LEU A 47 2.954 -3.747 -37.978 1.00 35.34 H new ATOM 0 HD22 LEU A 47 3.090 -2.578 -36.644 1.00 35.34 H new ATOM 0 HD23 LEU A 47 1.670 -2.543 -37.717 1.00 35.34 H new ATOM 736 N ASP A 48 5.325 1.751 -37.413 1.00 1.01 N ATOM 737 CA ASP A 48 6.663 2.318 -37.538 1.00 1.33 C ATOM 738 C ASP A 48 7.312 2.486 -36.167 1.00 4.12 C ATOM 739 O ASP A 48 8.468 2.114 -35.967 1.00 45.52 O ATOM 740 CB ASP A 48 6.603 3.666 -38.257 1.00 15.35 C ATOM 741 CG ASP A 48 7.979 4.187 -38.625 1.00 42.32 C ATOM 742 OD1 ASP A 48 8.663 3.532 -39.439 1.00 12.50 O ATOM 743 OD2 ASP A 48 8.371 5.250 -38.100 1.00 70.50 O ATOM 0 H ASP A 48 4.581 2.338 -37.790 1.00 1.01 H new ATOM 0 HA ASP A 48 7.270 1.629 -38.125 1.00 1.33 H new ATOM 0 HB2 ASP A 48 6.002 3.566 -39.161 1.00 15.35 H new ATOM 0 HB3 ASP A 48 6.101 4.393 -37.619 1.00 15.35 H new ATOM 748 N ARG A 49 6.560 3.051 -35.228 1.00 40.22 N ATOM 749 CA ARG A 49 7.063 3.272 -33.877 1.00 24.55 C ATOM 750 C ARG A 49 7.562 1.967 -33.264 1.00 53.00 C ATOM 751 O ARG A 49 8.629 1.925 -32.650 1.00 73.52 O ATOM 752 CB ARG A 49 5.968 3.877 -32.996 1.00 41.24 C ATOM 753 CG ARG A 49 5.903 5.394 -33.061 1.00 35.00 C ATOM 754 CD ARG A 49 6.828 6.037 -32.041 1.00 53.11 C ATOM 755 NE ARG A 49 7.154 7.417 -32.390 1.00 73.43 N ATOM 756 CZ ARG A 49 6.330 8.439 -32.192 1.00 12.33 C ATOM 757 NH1 ARG A 49 5.137 8.237 -31.648 1.00 1.45 N ATOM 758 NH2 ARG A 49 6.698 9.667 -32.536 1.00 21.11 N ATOM 0 H ARG A 49 5.601 3.364 -35.378 1.00 40.22 H new ATOM 0 HA ARG A 49 7.899 3.969 -33.935 1.00 24.55 H new ATOM 0 HB2 ARG A 49 5.004 3.467 -33.297 1.00 41.24 H new ATOM 0 HB3 ARG A 49 6.135 3.573 -31.963 1.00 41.24 H new ATOM 0 HG2 ARG A 49 6.176 5.728 -34.062 1.00 35.00 H new ATOM 0 HG3 ARG A 49 4.879 5.723 -32.883 1.00 35.00 H new ATOM 0 HD2 ARG A 49 6.356 6.013 -31.059 1.00 53.11 H new ATOM 0 HD3 ARG A 49 7.747 5.455 -31.968 1.00 53.11 H new ATOM 0 HE ARG A 49 8.065 7.606 -32.809 1.00 73.43 H new ATOM 0 HH11 ARG A 49 4.851 7.295 -31.381 1.00 1.45 H new ATOM 0 HH12 ARG A 49 4.506 9.024 -31.497 1.00 1.45 H new ATOM 0 HH21 ARG A 49 7.615 9.827 -32.953 1.00 21.11 H new ATOM 0 HH22 ARG A 49 6.064 10.451 -32.383 1.00 21.11 H new ATOM 772 N PHE A 50 6.784 0.903 -33.433 1.00 52.05 N ATOM 773 CA PHE A 50 7.146 -0.402 -32.895 1.00 23.30 C ATOM 774 C PHE A 50 8.285 -1.025 -33.698 1.00 71.14 C ATOM 775 O PHE A 50 9.065 -1.822 -33.175 1.00 40.10 O ATOM 776 CB PHE A 50 5.932 -1.335 -32.901 1.00 63.44 C ATOM 777 CG PHE A 50 4.951 -1.048 -31.801 1.00 22.12 C ATOM 778 CD1 PHE A 50 5.365 -1.000 -30.479 1.00 32.42 C ATOM 779 CD2 PHE A 50 3.614 -0.826 -32.088 1.00 14.32 C ATOM 780 CE1 PHE A 50 4.463 -0.737 -29.465 1.00 14.22 C ATOM 781 CE2 PHE A 50 2.707 -0.563 -31.078 1.00 41.31 C ATOM 782 CZ PHE A 50 3.133 -0.517 -29.766 1.00 24.45 C ATOM 0 H PHE A 50 5.898 0.920 -33.939 1.00 52.05 H new ATOM 0 HA PHE A 50 7.483 -0.263 -31.868 1.00 23.30 H new ATOM 0 HB2 PHE A 50 5.424 -1.251 -33.862 1.00 63.44 H new ATOM 0 HB3 PHE A 50 6.275 -2.366 -32.811 1.00 63.44 H new ATOM 0 HD1 PHE A 50 6.404 -1.170 -30.238 1.00 32.42 H new ATOM 0 HD2 PHE A 50 3.276 -0.859 -33.113 1.00 14.32 H new ATOM 0 HE1 PHE A 50 4.798 -0.704 -28.439 1.00 14.22 H new ATOM 0 HE2 PHE A 50 1.667 -0.394 -31.315 1.00 41.31 H new ATOM 0 HZ PHE A 50 2.427 -0.309 -28.975 1.00 24.45 H new ATOM 792 N LEU A 51 8.372 -0.657 -34.971 1.00 22.50 N ATOM 793 CA LEU A 51 9.414 -1.179 -35.848 1.00 0.23 C ATOM 794 C LEU A 51 10.781 -0.621 -35.463 1.00 53.31 C ATOM 795 O LEU A 51 11.788 -1.326 -35.514 1.00 22.12 O ATOM 796 CB LEU A 51 9.102 -0.833 -37.306 1.00 24.51 C ATOM 797 CG LEU A 51 9.530 -1.867 -38.347 1.00 22.33 C ATOM 798 CD1 LEU A 51 11.010 -2.185 -38.207 1.00 70.24 C ATOM 799 CD2 LEU A 51 8.697 -3.134 -38.214 1.00 23.22 C ATOM 0 H LEU A 51 7.734 0.001 -35.419 1.00 22.50 H new ATOM 0 HA LEU A 51 9.440 -2.263 -35.735 1.00 0.23 H new ATOM 0 HB2 LEU A 51 8.027 -0.676 -37.399 1.00 24.51 H new ATOM 0 HB3 LEU A 51 9.584 0.115 -37.545 1.00 24.51 H new ATOM 0 HG LEU A 51 9.362 -1.446 -39.338 1.00 22.33 H new ATOM 0 HD11 LEU A 51 11.296 -2.923 -38.956 1.00 70.24 H new ATOM 0 HD12 LEU A 51 11.593 -1.275 -38.352 1.00 70.24 H new ATOM 0 HD13 LEU A 51 11.204 -2.585 -37.212 1.00 70.24 H new ATOM 0 HD21 LEU A 51 9.015 -3.859 -38.963 1.00 23.22 H new ATOM 0 HD22 LEU A 51 8.834 -3.557 -37.219 1.00 23.22 H new ATOM 0 HD23 LEU A 51 7.644 -2.895 -38.365 1.00 23.22 H new ATOM 811 N LYS A 52 10.807 0.649 -35.074 1.00 72.22 N ATOM 812 CA LYS A 52 12.048 1.303 -34.676 1.00 13.04 C ATOM 813 C LYS A 52 12.529 0.781 -33.326 1.00 1.22 C ATOM 814 O LYS A 52 13.711 0.486 -33.148 1.00 22.51 O ATOM 815 CB LYS A 52 11.851 2.819 -34.608 1.00 14.41 C ATOM 816 CG LYS A 52 11.630 3.466 -35.963 1.00 64.25 C ATOM 817 CD LYS A 52 11.760 4.978 -35.888 1.00 12.02 C ATOM 818 CE LYS A 52 11.968 5.589 -37.266 1.00 32.31 C ATOM 819 NZ LYS A 52 12.033 7.076 -37.208 1.00 13.43 N ATOM 0 H LYS A 52 9.982 1.247 -35.026 1.00 72.22 H new ATOM 0 HA LYS A 52 12.806 1.075 -35.425 1.00 13.04 H new ATOM 0 HB2 LYS A 52 10.997 3.037 -33.967 1.00 14.41 H new ATOM 0 HB3 LYS A 52 12.725 3.270 -34.138 1.00 14.41 H new ATOM 0 HG2 LYS A 52 12.354 3.073 -36.677 1.00 64.25 H new ATOM 0 HG3 LYS A 52 10.640 3.203 -36.335 1.00 64.25 H new ATOM 0 HD2 LYS A 52 10.863 5.399 -35.434 1.00 12.02 H new ATOM 0 HD3 LYS A 52 12.598 5.241 -35.242 1.00 12.02 H new ATOM 0 HE2 LYS A 52 12.890 5.202 -37.700 1.00 32.31 H new ATOM 0 HE3 LYS A 52 11.154 5.286 -37.924 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 12.175 7.455 -38.166 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 11.144 7.447 -36.817 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 12.826 7.365 -36.600 1.00 13.43 H new ATOM 833 N THR A 53 11.605 0.667 -32.377 1.00 24.20 N ATOM 834 CA THR A 53 11.934 0.179 -31.044 1.00 34.52 C ATOM 835 C THR A 53 12.211 -1.320 -31.059 1.00 21.14 C ATOM 836 O THR A 53 13.035 -1.817 -30.291 1.00 72.44 O ATOM 837 CB THR A 53 10.802 0.472 -30.042 1.00 24.53 C ATOM 838 OG1 THR A 53 9.540 0.091 -30.605 1.00 13.12 O ATOM 839 CG2 THR A 53 10.772 1.947 -29.673 1.00 64.44 C ATOM 0 H THR A 53 10.622 0.906 -32.507 1.00 24.20 H new ATOM 0 HA THR A 53 12.833 0.708 -30.728 1.00 34.52 H new ATOM 0 HB THR A 53 10.988 -0.108 -29.138 1.00 24.53 H new ATOM 0 HG1 THR A 53 9.208 0.811 -31.181 1.00 13.12 H new ATOM 0 HG21 THR A 53 9.964 2.128 -28.964 1.00 64.44 H new ATOM 0 HG22 THR A 53 11.722 2.228 -29.219 1.00 64.44 H new ATOM 0 HG23 THR A 53 10.608 2.543 -30.571 1.00 64.44 H new ATOM 847 N VAL A 54 11.516 -2.035 -31.938 1.00 5.34 N ATOM 848 CA VAL A 54 11.688 -3.479 -32.055 1.00 43.11 C ATOM 849 C VAL A 54 11.712 -3.913 -33.515 1.00 50.42 C ATOM 850 O VAL A 54 10.879 -3.504 -34.324 1.00 41.32 O ATOM 851 CB VAL A 54 10.566 -4.238 -31.322 1.00 32.21 C ATOM 852 CG1 VAL A 54 10.774 -5.741 -31.437 1.00 15.02 C ATOM 853 CG2 VAL A 54 10.498 -3.811 -29.864 1.00 51.22 C ATOM 0 H VAL A 54 10.829 -1.639 -32.579 1.00 5.34 H new ATOM 0 HA VAL A 54 12.644 -3.723 -31.592 1.00 43.11 H new ATOM 0 HB VAL A 54 9.615 -3.990 -31.794 1.00 32.21 H new ATOM 0 HG11 VAL A 54 9.972 -6.260 -30.913 1.00 15.02 H new ATOM 0 HG12 VAL A 54 10.768 -6.030 -32.488 1.00 15.02 H new ATOM 0 HG13 VAL A 54 11.732 -6.011 -30.992 1.00 15.02 H new ATOM 0 HG21 VAL A 54 9.700 -4.357 -29.362 1.00 51.22 H new ATOM 0 HG22 VAL A 54 11.449 -4.028 -29.377 1.00 51.22 H new ATOM 0 HG23 VAL A 54 10.297 -2.741 -29.807 1.00 51.22 H new ATOM 863 N PRO A 55 12.690 -4.763 -33.864 1.00 2.25 N ATOM 864 CA PRO A 55 12.845 -5.273 -35.229 1.00 2.03 C ATOM 865 C PRO A 55 11.733 -6.240 -35.617 1.00 74.41 C ATOM 866 O PRO A 55 11.332 -7.092 -34.823 1.00 51.24 O ATOM 867 CB PRO A 55 14.193 -5.998 -35.185 1.00 33.24 C ATOM 868 CG PRO A 55 14.371 -6.381 -33.756 1.00 34.23 C ATOM 869 CD PRO A 55 13.718 -5.292 -32.951 1.00 62.25 C ATOM 0 HA PRO A 55 12.798 -4.475 -35.970 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.192 -6.875 -35.833 1.00 33.24 H new ATOM 0 HB3 PRO A 55 15.002 -5.351 -35.525 1.00 33.24 H new ATOM 0 HG2 PRO A 55 13.911 -7.347 -33.551 1.00 34.23 H new ATOM 0 HG3 PRO A 55 15.428 -6.472 -33.505 1.00 34.23 H new ATOM 0 HD2 PRO A 55 13.278 -5.680 -32.032 1.00 62.25 H new ATOM 0 HD3 PRO A 55 14.433 -4.522 -32.662 1.00 62.25 H new ATOM 877 N TRP A 56 11.237 -6.104 -36.842 1.00 2.13 N ATOM 878 CA TRP A 56 10.170 -6.967 -37.335 1.00 72.32 C ATOM 879 C TRP A 56 10.571 -8.435 -37.242 1.00 33.30 C ATOM 880 O TRP A 56 9.715 -9.317 -37.165 1.00 54.31 O ATOM 881 CB TRP A 56 9.825 -6.611 -38.782 1.00 43.12 C ATOM 882 CG TRP A 56 10.925 -6.925 -39.750 1.00 71.25 C ATOM 883 CD1 TRP A 56 11.825 -6.046 -40.282 1.00 71.41 C ATOM 884 CD2 TRP A 56 11.239 -8.209 -40.302 1.00 63.01 C ATOM 885 NE1 TRP A 56 12.680 -6.707 -41.131 1.00 11.50 N ATOM 886 CE2 TRP A 56 12.342 -8.034 -41.160 1.00 54.44 C ATOM 887 CE3 TRP A 56 10.698 -9.488 -40.152 1.00 64.22 C ATOM 888 CZ2 TRP A 56 12.911 -9.091 -41.866 1.00 2.44 C ATOM 889 CZ3 TRP A 56 11.263 -10.537 -40.854 1.00 44.31 C ATOM 890 CH2 TRP A 56 12.361 -10.332 -41.701 1.00 14.15 C ATOM 0 H TRP A 56 11.557 -5.404 -37.512 1.00 2.13 H new ATOM 0 HA TRP A 56 9.291 -6.809 -36.710 1.00 72.32 H new ATOM 0 HB2 TRP A 56 8.926 -7.152 -39.077 1.00 43.12 H new ATOM 0 HB3 TRP A 56 9.591 -5.548 -38.841 1.00 43.12 H new ATOM 0 HD1 TRP A 56 11.860 -4.988 -40.067 1.00 71.41 H new ATOM 0 HE1 TRP A 56 13.443 -6.279 -41.655 1.00 11.50 H new ATOM 0 HE3 TRP A 56 9.854 -9.655 -39.500 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 13.756 -8.936 -42.520 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 10.852 -11.530 -40.748 1.00 44.31 H new ATOM 0 HH2 TRP A 56 12.781 -11.172 -42.234 1.00 14.15 H new ATOM 901 N GLU A 57 11.876 -8.691 -37.250 1.00 24.51 N ATOM 902 CA GLU A 57 12.386 -10.053 -37.167 1.00 64.15 C ATOM 903 C GLU A 57 12.020 -10.692 -35.831 1.00 74.11 C ATOM 904 O GLU A 57 11.797 -11.900 -35.749 1.00 43.02 O ATOM 905 CB GLU A 57 13.906 -10.063 -37.349 1.00 44.32 C ATOM 906 CG GLU A 57 14.666 -9.526 -36.148 1.00 74.32 C ATOM 907 CD GLU A 57 15.931 -8.786 -36.542 1.00 2.22 C ATOM 908 OE1 GLU A 57 15.822 -7.760 -37.246 1.00 35.22 O ATOM 909 OE2 GLU A 57 17.027 -9.233 -36.148 1.00 73.32 O ATOM 0 H GLU A 57 12.598 -7.973 -37.313 1.00 24.51 H new ATOM 0 HA GLU A 57 11.926 -10.635 -37.966 1.00 64.15 H new ATOM 0 HB2 GLU A 57 14.233 -11.083 -37.549 1.00 44.32 H new ATOM 0 HB3 GLU A 57 14.162 -9.469 -38.226 1.00 44.32 H new ATOM 0 HG2 GLU A 57 14.018 -8.856 -35.583 1.00 74.32 H new ATOM 0 HG3 GLU A 57 14.924 -10.353 -35.486 1.00 74.32 H new ATOM 916 N GLN A 58 11.960 -9.872 -34.787 1.00 73.33 N ATOM 917 CA GLN A 58 11.621 -10.357 -33.454 1.00 13.45 C ATOM 918 C GLN A 58 10.342 -9.701 -32.945 1.00 24.32 C ATOM 919 O GLN A 58 10.155 -9.533 -31.738 1.00 52.14 O ATOM 920 CB GLN A 58 12.770 -10.084 -32.481 1.00 52.31 C ATOM 921 CG GLN A 58 14.012 -10.917 -32.757 1.00 2.22 C ATOM 922 CD GLN A 58 14.878 -11.097 -31.527 1.00 73.04 C ATOM 923 OE1 GLN A 58 14.510 -11.812 -30.593 1.00 12.51 O ATOM 924 NE2 GLN A 58 16.037 -10.450 -31.519 1.00 11.14 N ATOM 0 H GLN A 58 12.141 -8.870 -34.838 1.00 73.33 H new ATOM 0 HA GLN A 58 11.456 -11.433 -33.518 1.00 13.45 H new ATOM 0 HB2 GLN A 58 13.033 -9.027 -32.530 1.00 52.31 H new ATOM 0 HB3 GLN A 58 12.429 -10.281 -31.465 1.00 52.31 H new ATOM 0 HG2 GLN A 58 13.713 -11.896 -33.132 1.00 2.22 H new ATOM 0 HG3 GLN A 58 14.598 -10.440 -33.543 1.00 2.22 H new ATOM 0 HE21 GLN A 58 16.302 -9.869 -32.314 1.00 11.14 H new ATOM 0 HE22 GLN A 58 16.663 -10.534 -30.718 1.00 11.14 H new ATOM 933 N LEU A 59 9.463 -9.332 -33.870 1.00 41.15 N ATOM 934 CA LEU A 59 8.201 -8.694 -33.516 1.00 23.12 C ATOM 935 C LEU A 59 7.018 -9.582 -33.888 1.00 51.11 C ATOM 936 O LEU A 59 5.903 -9.387 -33.402 1.00 4.12 O ATOM 937 CB LEU A 59 8.076 -7.339 -34.216 1.00 20.44 C ATOM 938 CG LEU A 59 6.987 -6.407 -33.684 1.00 33.41 C ATOM 939 CD1 LEU A 59 7.224 -6.092 -32.216 1.00 5.54 C ATOM 940 CD2 LEU A 59 6.936 -5.126 -34.504 1.00 61.44 C ATOM 0 H LEU A 59 9.602 -9.464 -34.872 1.00 41.15 H new ATOM 0 HA LEU A 59 8.191 -8.540 -32.437 1.00 23.12 H new ATOM 0 HB2 LEU A 59 9.034 -6.825 -34.142 1.00 20.44 H new ATOM 0 HB3 LEU A 59 7.890 -7.516 -35.275 1.00 20.44 H new ATOM 0 HG LEU A 59 6.026 -6.913 -33.775 1.00 33.41 H new ATOM 0 HD11 LEU A 59 6.439 -5.427 -31.855 1.00 5.54 H new ATOM 0 HD12 LEU A 59 7.211 -7.016 -31.639 1.00 5.54 H new ATOM 0 HD13 LEU A 59 8.193 -5.606 -32.100 1.00 5.54 H new ATOM 0 HD21 LEU A 59 6.156 -4.474 -34.112 1.00 61.44 H new ATOM 0 HD22 LEU A 59 7.898 -4.617 -34.444 1.00 61.44 H new ATOM 0 HD23 LEU A 59 6.718 -5.368 -35.544 1.00 61.44 H new ATOM 952 N LEU A 60 7.268 -10.559 -34.753 1.00 55.45 N ATOM 953 CA LEU A 60 6.225 -11.480 -35.191 1.00 62.31 C ATOM 954 C LEU A 60 6.665 -12.928 -35.007 1.00 44.10 C ATOM 955 O LEU A 60 7.848 -13.246 -35.112 1.00 61.30 O ATOM 956 CB LEU A 60 5.872 -11.224 -36.657 1.00 44.32 C ATOM 957 CG LEU A 60 6.821 -11.831 -37.691 1.00 11.04 C ATOM 958 CD1 LEU A 60 6.138 -12.966 -38.441 1.00 41.24 C ATOM 959 CD2 LEU A 60 7.307 -10.765 -38.661 1.00 71.44 C ATOM 0 H LEU A 60 8.185 -10.734 -35.165 1.00 55.45 H new ATOM 0 HA LEU A 60 5.341 -11.307 -34.576 1.00 62.31 H new ATOM 0 HB2 LEU A 60 4.870 -11.611 -36.842 1.00 44.32 H new ATOM 0 HB3 LEU A 60 5.832 -10.147 -36.818 1.00 44.32 H new ATOM 0 HG LEU A 60 7.686 -12.237 -37.167 1.00 11.04 H new ATOM 0 HD11 LEU A 60 6.828 -13.386 -39.173 1.00 41.24 H new ATOM 0 HD12 LEU A 60 5.841 -13.742 -37.735 1.00 41.24 H new ATOM 0 HD13 LEU A 60 5.255 -12.584 -38.953 1.00 41.24 H new ATOM 0 HD21 LEU A 60 7.981 -11.216 -39.389 1.00 71.44 H new ATOM 0 HD22 LEU A 60 6.453 -10.328 -39.179 1.00 71.44 H new ATOM 0 HD23 LEU A 60 7.835 -9.986 -38.111 1.00 71.44 H new ATOM 971 N ASN A 61 5.702 -13.804 -34.733 1.00 14.22 N ATOM 972 CA ASN A 61 5.990 -15.219 -34.536 1.00 33.24 C ATOM 973 C ASN A 61 6.810 -15.774 -35.698 1.00 54.15 C ATOM 974 O ASN A 61 6.619 -15.383 -36.849 1.00 1.23 O ATOM 975 CB ASN A 61 4.689 -16.011 -34.392 1.00 52.35 C ATOM 976 CG ASN A 61 3.608 -15.524 -35.339 1.00 2.34 C ATOM 977 OD1 ASN A 61 2.570 -15.022 -34.907 1.00 42.20 O ATOM 978 ND2 ASN A 61 3.848 -15.671 -36.636 1.00 71.33 N ATOM 0 H ASN A 61 4.716 -13.558 -34.643 1.00 14.22 H new ATOM 0 HA ASN A 61 6.573 -15.321 -33.621 1.00 33.24 H new ATOM 0 HB2 ASN A 61 4.886 -17.066 -34.582 1.00 52.35 H new ATOM 0 HB3 ASN A 61 4.331 -15.933 -33.365 1.00 52.35 H new ATOM 0 HD21 ASN A 61 3.158 -15.362 -37.321 1.00 71.33 H new ATOM 0 HD22 ASN A 61 4.723 -16.093 -36.948 1.00 71.33 H new ATOM 985 N ARG A 62 7.724 -16.689 -35.386 1.00 14.43 N ATOM 986 CA ARG A 62 8.573 -17.297 -36.403 1.00 62.32 C ATOM 987 C ARG A 62 8.201 -18.761 -36.618 1.00 71.20 C ATOM 988 O ARG A 62 8.208 -19.255 -37.745 1.00 73.11 O ATOM 989 CB ARG A 62 10.045 -17.187 -36.002 1.00 1.22 C ATOM 990 CG ARG A 62 10.667 -15.839 -36.329 1.00 71.45 C ATOM 991 CD ARG A 62 10.660 -14.914 -35.122 1.00 72.42 C ATOM 992 NE ARG A 62 12.002 -14.455 -34.776 1.00 15.00 N ATOM 993 CZ ARG A 62 12.869 -15.181 -34.078 1.00 45.11 C ATOM 994 NH1 ARG A 62 12.535 -16.393 -33.654 1.00 32.15 N ATOM 995 NH2 ARG A 62 14.072 -14.694 -33.802 1.00 4.03 N ATOM 0 H ARG A 62 7.895 -17.024 -34.438 1.00 14.43 H new ATOM 0 HA ARG A 62 8.418 -16.760 -37.338 1.00 62.32 H new ATOM 0 HB2 ARG A 62 10.136 -17.369 -34.931 1.00 1.22 H new ATOM 0 HB3 ARG A 62 10.610 -17.970 -36.507 1.00 1.22 H new ATOM 0 HG2 ARG A 62 11.692 -15.984 -36.672 1.00 71.45 H new ATOM 0 HG3 ARG A 62 10.119 -15.374 -37.148 1.00 71.45 H new ATOM 0 HD2 ARG A 62 10.025 -14.053 -35.329 1.00 72.42 H new ATOM 0 HD3 ARG A 62 10.224 -15.434 -34.269 1.00 72.42 H new ATOM 0 HE ARG A 62 12.290 -13.527 -35.087 1.00 15.00 H new ATOM 0 HH11 ARG A 62 11.611 -16.770 -33.864 1.00 32.15 H new ATOM 0 HH12 ARG A 62 13.203 -16.948 -33.118 1.00 32.15 H new ATOM 0 HH21 ARG A 62 14.332 -13.762 -34.126 1.00 4.03 H new ATOM 0 HH22 ARG A 62 14.737 -15.251 -33.266 1.00 4.03 H new ATOM 1009 N ALA A 63 7.877 -19.450 -35.528 1.00 13.41 N ATOM 1010 CA ALA A 63 7.501 -20.856 -35.598 1.00 11.25 C ATOM 1011 C ALA A 63 5.990 -21.015 -35.721 1.00 40.23 C ATOM 1012 O ALA A 63 5.500 -22.036 -36.201 1.00 15.22 O ATOM 1013 CB ALA A 63 8.013 -21.600 -34.372 1.00 4.01 C ATOM 0 H ALA A 63 7.868 -19.057 -34.587 1.00 13.41 H new ATOM 0 HA ALA A 63 7.959 -21.285 -36.489 1.00 11.25 H new ATOM 0 HB1 ALA A 63 7.725 -22.649 -34.437 1.00 4.01 H new ATOM 0 HB2 ALA A 63 9.099 -21.524 -34.327 1.00 4.01 H new ATOM 0 HB3 ALA A 63 7.581 -21.160 -33.473 1.00 4.01 H new ATOM 1019 N GLY A 64 5.254 -19.997 -35.283 1.00 15.42 N ATOM 1020 CA GLY A 64 3.805 -20.045 -35.353 1.00 64.14 C ATOM 1021 C GLY A 64 3.303 -20.384 -36.743 1.00 10.02 C ATOM 1022 O GLY A 64 3.915 -20.005 -37.742 1.00 62.15 O ATOM 0 H GLY A 64 5.636 -19.141 -34.881 1.00 15.42 H new ATOM 0 HA2 GLY A 64 3.434 -20.787 -34.645 1.00 64.14 H new ATOM 0 HA3 GLY A 64 3.397 -19.081 -35.048 1.00 64.14 H new ATOM 1026 N THR A 65 2.186 -21.100 -36.807 1.00 32.42 N ATOM 1027 CA THR A 65 1.602 -21.493 -38.084 1.00 14.14 C ATOM 1028 C THR A 65 1.436 -20.290 -39.006 1.00 2.22 C ATOM 1029 O THR A 65 1.562 -20.406 -40.225 1.00 74.54 O ATOM 1030 CB THR A 65 0.232 -22.171 -37.891 1.00 43.52 C ATOM 1031 OG1 THR A 65 -0.423 -22.319 -39.155 1.00 71.44 O ATOM 1032 CG2 THR A 65 -0.646 -21.359 -36.951 1.00 24.43 C ATOM 0 H THR A 65 1.667 -21.420 -35.989 1.00 32.42 H new ATOM 0 HA THR A 65 2.290 -22.205 -38.540 1.00 14.14 H new ATOM 0 HB THR A 65 0.396 -23.154 -37.450 1.00 43.52 H new ATOM 0 HG1 THR A 65 -1.292 -22.752 -39.024 1.00 71.44 H new ATOM 0 HG21 THR A 65 -1.608 -21.857 -36.830 1.00 24.43 H new ATOM 0 HG22 THR A 65 -0.157 -21.273 -35.980 1.00 24.43 H new ATOM 0 HG23 THR A 65 -0.803 -20.364 -37.368 1.00 24.43 H new ATOM 1040 N THR A 66 1.152 -19.133 -38.416 1.00 75.01 N ATOM 1041 CA THR A 66 0.967 -17.908 -39.184 1.00 24.34 C ATOM 1042 C THR A 66 2.155 -17.652 -40.104 1.00 70.12 C ATOM 1043 O THR A 66 1.992 -17.176 -41.228 1.00 31.44 O ATOM 1044 CB THR A 66 0.776 -16.690 -38.261 1.00 53.23 C ATOM 1045 OG1 THR A 66 -0.323 -16.916 -37.373 1.00 11.42 O ATOM 1046 CG2 THR A 66 0.526 -15.429 -39.075 1.00 2.54 C ATOM 0 H THR A 66 1.045 -19.019 -37.408 1.00 75.01 H new ATOM 0 HA THR A 66 0.068 -18.044 -39.785 1.00 24.34 H new ATOM 0 HB THR A 66 1.689 -16.554 -37.681 1.00 53.23 H new ATOM 0 HG1 THR A 66 -0.437 -16.138 -36.788 1.00 11.42 H new ATOM 0 HG21 THR A 66 0.394 -14.582 -38.402 1.00 2.54 H new ATOM 0 HG22 THR A 66 1.378 -15.243 -39.729 1.00 2.54 H new ATOM 0 HG23 THR A 66 -0.373 -15.557 -39.678 1.00 2.54 H new ATOM 1054 N PHE A 67 3.352 -17.973 -39.622 1.00 31.33 N ATOM 1055 CA PHE A 67 4.568 -17.778 -40.402 1.00 51.22 C ATOM 1056 C PHE A 67 4.732 -18.886 -41.439 1.00 2.20 C ATOM 1057 O PHE A 67 5.235 -18.652 -42.539 1.00 62.22 O ATOM 1058 CB PHE A 67 5.789 -17.741 -39.482 1.00 14.00 C ATOM 1059 CG PHE A 67 7.081 -17.500 -40.209 1.00 64.31 C ATOM 1060 CD1 PHE A 67 7.742 -18.543 -40.837 1.00 12.13 C ATOM 1061 CD2 PHE A 67 7.634 -16.231 -40.264 1.00 15.52 C ATOM 1062 CE1 PHE A 67 8.931 -18.324 -41.507 1.00 72.43 C ATOM 1063 CE2 PHE A 67 8.822 -16.006 -40.933 1.00 33.54 C ATOM 1064 CZ PHE A 67 9.471 -17.054 -41.555 1.00 75.02 C ATOM 0 H PHE A 67 3.505 -18.369 -38.695 1.00 31.33 H new ATOM 0 HA PHE A 67 4.486 -16.825 -40.924 1.00 51.22 H new ATOM 0 HB2 PHE A 67 5.649 -16.958 -38.737 1.00 14.00 H new ATOM 0 HB3 PHE A 67 5.856 -18.686 -38.942 1.00 14.00 H new ATOM 0 HD1 PHE A 67 7.324 -19.538 -40.803 1.00 12.13 H new ATOM 0 HD2 PHE A 67 7.131 -15.408 -39.778 1.00 15.52 H new ATOM 0 HE1 PHE A 67 9.437 -19.145 -41.992 1.00 72.43 H new ATOM 0 HE2 PHE A 67 9.242 -15.012 -40.969 1.00 33.54 H new ATOM 0 HZ PHE A 67 10.400 -16.881 -42.078 1.00 75.02 H new ATOM 1074 N ARG A 68 4.306 -20.092 -41.080 1.00 35.20 N ATOM 1075 CA ARG A 68 4.408 -21.237 -41.978 1.00 13.24 C ATOM 1076 C ARG A 68 3.268 -21.234 -42.992 1.00 42.44 C ATOM 1077 O ARG A 68 3.215 -22.081 -43.885 1.00 51.04 O ATOM 1078 CB ARG A 68 4.391 -22.542 -41.180 1.00 65.20 C ATOM 1079 CG ARG A 68 5.777 -23.086 -40.874 1.00 50.00 C ATOM 1080 CD ARG A 68 5.707 -24.472 -40.253 1.00 44.21 C ATOM 1081 NE ARG A 68 6.997 -24.899 -39.720 1.00 1.04 N ATOM 1082 CZ ARG A 68 7.256 -26.143 -39.331 1.00 43.45 C ATOM 1083 NH1 ARG A 68 6.320 -27.078 -39.419 1.00 73.52 N ATOM 1084 NH2 ARG A 68 8.456 -26.454 -38.856 1.00 33.20 N ATOM 0 H ARG A 68 3.887 -20.302 -40.174 1.00 35.20 H new ATOM 0 HA ARG A 68 5.352 -21.162 -42.517 1.00 13.24 H new ATOM 0 HB2 ARG A 68 3.859 -22.378 -40.243 1.00 65.20 H new ATOM 0 HB3 ARG A 68 3.830 -23.292 -41.738 1.00 65.20 H new ATOM 0 HG2 ARG A 68 6.364 -23.127 -41.792 1.00 50.00 H new ATOM 0 HG3 ARG A 68 6.294 -22.408 -40.195 1.00 50.00 H new ATOM 0 HD2 ARG A 68 4.966 -24.474 -39.454 1.00 44.21 H new ATOM 0 HD3 ARG A 68 5.369 -25.188 -41.002 1.00 44.21 H new ATOM 0 HE ARG A 68 7.740 -24.205 -39.642 1.00 1.04 H new ATOM 0 HH11 ARG A 68 5.398 -26.843 -39.786 1.00 73.52 H new ATOM 0 HH12 ARG A 68 6.522 -28.032 -39.120 1.00 73.52 H new ATOM 0 HH21 ARG A 68 9.179 -25.738 -38.790 1.00 33.20 H new ATOM 0 HH22 ARG A 68 8.655 -27.409 -38.557 1.00 33.20 H new ATOM 1098 N LYS A 69 2.357 -20.278 -42.849 1.00 73.43 N ATOM 1099 CA LYS A 69 1.218 -20.164 -43.753 1.00 73.42 C ATOM 1100 C LYS A 69 1.683 -19.953 -45.190 1.00 41.12 C ATOM 1101 O LYS A 69 0.937 -20.205 -46.138 1.00 52.53 O ATOM 1102 CB LYS A 69 0.314 -19.007 -43.323 1.00 31.13 C ATOM 1103 CG LYS A 69 -0.639 -19.365 -42.196 1.00 71.24 C ATOM 1104 CD LYS A 69 -2.011 -19.746 -42.725 1.00 50.32 C ATOM 1105 CE LYS A 69 -3.081 -19.606 -41.654 1.00 72.15 C ATOM 1106 NZ LYS A 69 -4.334 -20.323 -42.023 1.00 71.33 N ATOM 0 H LYS A 69 2.385 -19.570 -42.115 1.00 73.43 H new ATOM 0 HA LYS A 69 0.653 -21.095 -43.706 1.00 73.42 H new ATOM 0 HB2 LYS A 69 0.936 -18.169 -43.009 1.00 31.13 H new ATOM 0 HB3 LYS A 69 -0.264 -18.670 -44.183 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -0.227 -20.194 -41.620 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -0.733 -18.519 -41.515 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -2.262 -19.113 -43.576 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -1.990 -20.774 -43.087 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -2.703 -19.998 -40.710 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -3.300 -18.550 -41.496 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -5.038 -20.203 -41.267 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -4.709 -19.932 -42.911 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -4.131 -21.335 -42.149 1.00 71.33 H new ATOM 1120 N LEU A 70 2.918 -19.491 -45.346 1.00 1.50 N ATOM 1121 CA LEU A 70 3.483 -19.248 -46.669 1.00 30.25 C ATOM 1122 C LEU A 70 4.608 -20.233 -46.970 1.00 52.51 C ATOM 1123 O LEU A 70 5.220 -20.809 -46.070 1.00 53.44 O ATOM 1124 CB LEU A 70 4.006 -17.814 -46.766 1.00 30.13 C ATOM 1125 CG LEU A 70 2.968 -16.742 -47.099 1.00 75.04 C ATOM 1126 CD1 LEU A 70 2.382 -16.979 -48.483 1.00 23.34 C ATOM 1127 CD2 LEU A 70 1.867 -16.720 -46.048 1.00 52.00 C ATOM 0 H LEU A 70 3.548 -19.277 -44.573 1.00 1.50 H new ATOM 0 HA LEU A 70 2.693 -19.391 -47.406 1.00 30.25 H new ATOM 0 HB2 LEU A 70 4.475 -17.555 -45.817 1.00 30.13 H new ATOM 0 HB3 LEU A 70 4.787 -17.784 -47.526 1.00 30.13 H new ATOM 0 HG LEU A 70 3.463 -15.771 -47.097 1.00 75.04 H new ATOM 0 HD11 LEU A 70 1.645 -16.207 -48.703 1.00 23.34 H new ATOM 0 HD12 LEU A 70 3.178 -16.943 -49.226 1.00 23.34 H new ATOM 0 HD13 LEU A 70 1.902 -17.957 -48.512 1.00 23.34 H new ATOM 0 HD21 LEU A 70 1.137 -15.951 -46.301 1.00 52.00 H new ATOM 0 HD22 LEU A 70 1.374 -17.692 -46.017 1.00 52.00 H new ATOM 0 HD23 LEU A 70 2.300 -16.502 -45.072 1.00 52.00 H new ATOM 1139 N PRO A 71 4.889 -20.432 -48.266 1.00 40.12 N ATOM 1140 CA PRO A 71 5.944 -21.345 -48.716 1.00 21.41 C ATOM 1141 C PRO A 71 7.340 -20.824 -48.392 1.00 4.43 C ATOM 1142 O PRO A 71 7.491 -19.741 -47.828 1.00 61.04 O ATOM 1143 CB PRO A 71 5.736 -21.408 -50.231 1.00 10.33 C ATOM 1144 CG PRO A 71 5.063 -20.125 -50.575 1.00 64.15 C ATOM 1145 CD PRO A 71 4.200 -19.779 -49.392 1.00 72.42 C ATOM 0 HA PRO A 71 5.881 -22.315 -48.222 1.00 21.41 H new ATOM 0 HB2 PRO A 71 6.685 -21.510 -50.757 1.00 10.33 H new ATOM 0 HB3 PRO A 71 5.122 -22.264 -50.511 1.00 10.33 H new ATOM 0 HG2 PRO A 71 5.794 -19.340 -50.767 1.00 64.15 H new ATOM 0 HG3 PRO A 71 4.463 -20.229 -51.479 1.00 64.15 H new ATOM 0 HD2 PRO A 71 4.128 -18.701 -49.249 1.00 72.42 H new ATOM 0 HD3 PRO A 71 3.183 -20.153 -49.513 1.00 72.42 H new ATOM 1153 N GLU A 72 8.356 -21.601 -48.753 1.00 64.42 N ATOM 1154 CA GLU A 72 9.739 -21.216 -48.498 1.00 2.33 C ATOM 1155 C GLU A 72 10.161 -20.068 -49.410 1.00 32.21 C ATOM 1156 O GLU A 72 11.055 -19.291 -49.075 1.00 64.11 O ATOM 1157 CB GLU A 72 10.671 -22.413 -48.704 1.00 3.30 C ATOM 1158 CG GLU A 72 10.514 -23.495 -47.650 1.00 14.02 C ATOM 1159 CD GLU A 72 9.362 -24.437 -47.947 1.00 23.34 C ATOM 1160 OE1 GLU A 72 8.905 -24.465 -49.109 1.00 2.14 O ATOM 1161 OE2 GLU A 72 8.918 -25.144 -47.019 1.00 4.25 O ATOM 0 H GLU A 72 8.248 -22.500 -49.223 1.00 64.42 H new ATOM 0 HA GLU A 72 9.811 -20.881 -47.463 1.00 2.33 H new ATOM 0 HB2 GLU A 72 10.482 -22.845 -49.687 1.00 3.30 H new ATOM 0 HB3 GLU A 72 11.703 -22.063 -48.703 1.00 3.30 H new ATOM 0 HG2 GLU A 72 11.439 -24.068 -47.583 1.00 14.02 H new ATOM 0 HG3 GLU A 72 10.356 -23.029 -46.677 1.00 14.02 H new ATOM 1168 N ASP A 73 9.509 -19.966 -50.563 1.00 54.44 N ATOM 1169 CA ASP A 73 9.814 -18.912 -51.524 1.00 22.54 C ATOM 1170 C ASP A 73 9.287 -17.565 -51.039 1.00 73.43 C ATOM 1171 O ASP A 73 10.021 -16.578 -50.993 1.00 20.35 O ATOM 1172 CB ASP A 73 9.215 -19.248 -52.890 1.00 11.40 C ATOM 1173 CG ASP A 73 9.810 -20.506 -53.490 1.00 35.22 C ATOM 1174 OD1 ASP A 73 11.051 -20.577 -53.610 1.00 60.34 O ATOM 1175 OD2 ASP A 73 9.035 -21.420 -53.840 1.00 64.21 O ATOM 0 H ASP A 73 8.766 -20.600 -50.855 1.00 54.44 H new ATOM 0 HA ASP A 73 10.898 -18.844 -51.619 1.00 22.54 H new ATOM 0 HB2 ASP A 73 8.137 -19.372 -52.790 1.00 11.40 H new ATOM 0 HB3 ASP A 73 9.378 -18.412 -53.570 1.00 11.40 H new ATOM 1180 N VAL A 74 8.007 -17.532 -50.680 1.00 22.21 N ATOM 1181 CA VAL A 74 7.380 -16.306 -50.198 1.00 51.24 C ATOM 1182 C VAL A 74 8.102 -15.765 -48.969 1.00 71.30 C ATOM 1183 O VAL A 74 8.537 -14.615 -48.949 1.00 64.14 O ATOM 1184 CB VAL A 74 5.896 -16.534 -49.851 1.00 4.32 C ATOM 1185 CG1 VAL A 74 5.312 -15.305 -49.174 1.00 2.42 C ATOM 1186 CG2 VAL A 74 5.106 -16.891 -51.101 1.00 20.32 C ATOM 0 H VAL A 74 7.384 -18.339 -50.714 1.00 22.21 H new ATOM 0 HA VAL A 74 7.449 -15.577 -51.005 1.00 51.24 H new ATOM 0 HB VAL A 74 5.827 -17.370 -49.155 1.00 4.32 H new ATOM 0 HG11 VAL A 74 4.263 -15.484 -48.936 1.00 2.42 H new ATOM 0 HG12 VAL A 74 5.862 -15.099 -48.256 1.00 2.42 H new ATOM 0 HG13 VAL A 74 5.391 -14.449 -49.844 1.00 2.42 H new ATOM 0 HG21 VAL A 74 4.060 -17.049 -50.838 1.00 20.32 H new ATOM 0 HG22 VAL A 74 5.180 -16.078 -51.823 1.00 20.32 H new ATOM 0 HG23 VAL A 74 5.511 -17.803 -51.539 1.00 20.32 H new ATOM 1196 N ARG A 75 8.224 -16.605 -47.946 1.00 32.22 N ATOM 1197 CA ARG A 75 8.892 -16.211 -46.711 1.00 2.22 C ATOM 1198 C ARG A 75 10.328 -15.774 -46.986 1.00 43.01 C ATOM 1199 O ARG A 75 10.910 -15.003 -46.222 1.00 52.32 O ATOM 1200 CB ARG A 75 8.882 -17.367 -45.710 1.00 70.20 C ATOM 1201 CG ARG A 75 7.485 -17.812 -45.307 1.00 33.21 C ATOM 1202 CD ARG A 75 6.654 -16.645 -44.798 1.00 64.25 C ATOM 1203 NE ARG A 75 7.440 -15.730 -43.974 1.00 60.01 N ATOM 1204 CZ ARG A 75 7.094 -14.471 -43.737 1.00 52.41 C ATOM 1205 NH1 ARG A 75 5.978 -13.978 -44.259 1.00 43.22 N ATOM 1206 NH2 ARG A 75 7.862 -13.701 -42.978 1.00 22.23 N ATOM 0 H ARG A 75 7.870 -17.561 -47.948 1.00 32.22 H new ATOM 0 HA ARG A 75 8.349 -15.367 -46.286 1.00 2.22 H new ATOM 0 HB2 ARG A 75 9.414 -18.215 -46.142 1.00 70.20 H new ATOM 0 HB3 ARG A 75 9.431 -17.068 -44.817 1.00 70.20 H new ATOM 0 HG2 ARG A 75 6.987 -18.269 -46.162 1.00 33.21 H new ATOM 0 HG3 ARG A 75 7.554 -18.576 -44.532 1.00 33.21 H new ATOM 0 HD2 ARG A 75 6.236 -16.101 -45.645 1.00 64.25 H new ATOM 0 HD3 ARG A 75 5.814 -17.025 -44.217 1.00 64.25 H new ATOM 0 HE ARG A 75 8.303 -16.078 -43.557 1.00 60.01 H new ATOM 0 HH11 ARG A 75 5.385 -14.567 -44.843 1.00 43.22 H new ATOM 0 HH12 ARG A 75 5.713 -13.010 -44.076 1.00 43.22 H new ATOM 0 HH21 ARG A 75 8.721 -14.076 -42.575 1.00 22.23 H new ATOM 0 HH22 ARG A 75 7.594 -12.734 -42.797 1.00 22.23 H new ATOM 1220 N SER A 76 10.894 -16.274 -48.080 1.00 13.42 N ATOM 1221 CA SER A 76 12.263 -15.939 -48.453 1.00 72.25 C ATOM 1222 C SER A 76 12.330 -14.556 -49.093 1.00 24.11 C ATOM 1223 O SER A 76 13.391 -13.936 -49.151 1.00 72.30 O ATOM 1224 CB SER A 76 12.823 -16.987 -49.418 1.00 52.34 C ATOM 1225 OG SER A 76 13.949 -16.488 -50.116 1.00 11.12 O ATOM 0 H SER A 76 10.426 -16.912 -48.723 1.00 13.42 H new ATOM 0 HA SER A 76 12.867 -15.930 -47.546 1.00 72.25 H new ATOM 0 HB2 SER A 76 13.103 -17.883 -48.864 1.00 52.34 H new ATOM 0 HB3 SER A 76 12.051 -17.280 -50.129 1.00 52.34 H new ATOM 0 HG SER A 76 14.288 -17.177 -50.724 1.00 11.12 H new ATOM 1231 N ASN A 77 11.186 -14.078 -49.573 1.00 61.11 N ATOM 1232 CA ASN A 77 11.113 -12.768 -50.211 1.00 63.22 C ATOM 1233 C ASN A 77 10.682 -11.700 -49.211 1.00 4.51 C ATOM 1234 O ASN A 77 10.145 -10.659 -49.589 1.00 30.21 O ATOM 1235 CB ASN A 77 10.134 -12.804 -51.387 1.00 34.15 C ATOM 1236 CG ASN A 77 10.791 -13.273 -52.672 1.00 2.31 C ATOM 1237 OD1 ASN A 77 10.829 -12.546 -53.663 1.00 62.33 O ATOM 1238 ND2 ASN A 77 11.313 -14.494 -52.657 1.00 63.33 N ATOM 0 H ASN A 77 10.298 -14.578 -49.532 1.00 61.11 H new ATOM 0 HA ASN A 77 12.107 -12.516 -50.581 1.00 63.22 H new ATOM 0 HB2 ASN A 77 9.303 -13.466 -51.144 1.00 34.15 H new ATOM 0 HB3 ASN A 77 9.715 -11.809 -51.538 1.00 34.15 H new ATOM 0 HD21 ASN A 77 11.769 -14.864 -53.491 1.00 63.33 H new ATOM 0 HD22 ASN A 77 11.258 -15.062 -51.811 1.00 63.33 H new ATOM 1245 N VAL A 78 10.924 -11.964 -47.931 1.00 54.35 N ATOM 1246 CA VAL A 78 10.563 -11.025 -46.875 1.00 25.14 C ATOM 1247 C VAL A 78 11.690 -10.031 -46.615 1.00 53.34 C ATOM 1248 O VAL A 78 12.859 -10.410 -46.532 1.00 13.31 O ATOM 1249 CB VAL A 78 10.227 -11.758 -45.562 1.00 24.53 C ATOM 1250 CG1 VAL A 78 11.467 -12.435 -44.996 1.00 61.22 C ATOM 1251 CG2 VAL A 78 9.630 -10.791 -44.551 1.00 61.01 C ATOM 0 H VAL A 78 11.369 -12.820 -47.600 1.00 54.35 H new ATOM 0 HA VAL A 78 9.679 -10.487 -47.218 1.00 25.14 H new ATOM 0 HB VAL A 78 9.487 -12.529 -45.775 1.00 24.53 H new ATOM 0 HG11 VAL A 78 11.211 -12.948 -44.069 1.00 61.22 H new ATOM 0 HG12 VAL A 78 11.848 -13.158 -45.717 1.00 61.22 H new ATOM 0 HG13 VAL A 78 12.232 -11.685 -44.796 1.00 61.22 H new ATOM 0 HG21 VAL A 78 9.398 -11.325 -43.629 1.00 61.01 H new ATOM 0 HG22 VAL A 78 10.346 -9.997 -44.340 1.00 61.01 H new ATOM 0 HG23 VAL A 78 8.717 -10.357 -44.958 1.00 61.01 H new ATOM 1261 N ASP A 79 11.331 -8.759 -46.487 1.00 75.02 N ATOM 1262 CA ASP A 79 12.313 -7.710 -46.235 1.00 32.13 C ATOM 1263 C ASP A 79 11.749 -6.655 -45.286 1.00 22.35 C ATOM 1264 O ASP A 79 10.669 -6.828 -44.723 1.00 11.20 O ATOM 1265 CB ASP A 79 12.740 -7.055 -47.550 1.00 14.11 C ATOM 1266 CG ASP A 79 12.966 -8.068 -48.654 1.00 70.21 C ATOM 1267 OD1 ASP A 79 14.102 -8.568 -48.776 1.00 63.45 O ATOM 1268 OD2 ASP A 79 12.005 -8.360 -49.397 1.00 12.03 O ATOM 0 H ASP A 79 10.368 -8.429 -46.553 1.00 75.02 H new ATOM 0 HA ASP A 79 13.185 -8.167 -45.766 1.00 32.13 H new ATOM 0 HB2 ASP A 79 11.975 -6.344 -47.864 1.00 14.11 H new ATOM 0 HB3 ASP A 79 13.656 -6.487 -47.389 1.00 14.11 H new ATOM 1273 N ALA A 80 12.489 -5.565 -45.115 1.00 44.44 N ATOM 1274 CA ALA A 80 12.064 -4.483 -44.237 1.00 1.03 C ATOM 1275 C ALA A 80 10.725 -3.905 -44.687 1.00 60.14 C ATOM 1276 O ALA A 80 9.738 -3.957 -43.953 1.00 3.35 O ATOM 1277 CB ALA A 80 13.123 -3.392 -44.190 1.00 43.13 C ATOM 0 H ALA A 80 13.387 -5.408 -45.573 1.00 44.44 H new ATOM 0 HA ALA A 80 11.936 -4.892 -43.235 1.00 1.03 H new ATOM 0 HB1 ALA A 80 12.791 -2.591 -43.530 1.00 43.13 H new ATOM 0 HB2 ALA A 80 14.058 -3.808 -43.814 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.280 -2.994 -45.193 1.00 43.13 H new ATOM 1283 N ALA A 81 10.702 -3.353 -45.896 1.00 21.32 N ATOM 1284 CA ALA A 81 9.484 -2.766 -46.443 1.00 55.31 C ATOM 1285 C ALA A 81 8.315 -3.740 -46.349 1.00 31.04 C ATOM 1286 O ALA A 81 7.283 -3.430 -45.754 1.00 33.41 O ATOM 1287 CB ALA A 81 9.707 -2.343 -47.887 1.00 13.35 C ATOM 0 H ALA A 81 11.511 -3.300 -46.515 1.00 21.32 H new ATOM 0 HA ALA A 81 9.236 -1.885 -45.851 1.00 55.31 H new ATOM 0 HB1 ALA A 81 8.791 -1.906 -48.284 1.00 13.35 H new ATOM 0 HB2 ALA A 81 10.509 -1.606 -47.931 1.00 13.35 H new ATOM 0 HB3 ALA A 81 9.982 -3.213 -48.483 1.00 13.35 H new ATOM 1293 N SER A 82 8.483 -4.918 -46.941 1.00 54.12 N ATOM 1294 CA SER A 82 7.439 -5.936 -46.928 1.00 14.13 C ATOM 1295 C SER A 82 6.984 -6.229 -45.502 1.00 30.51 C ATOM 1296 O SER A 82 5.789 -6.252 -45.213 1.00 1.33 O ATOM 1297 CB SER A 82 7.941 -7.220 -47.590 1.00 73.02 C ATOM 1298 OG SER A 82 7.349 -8.364 -46.998 1.00 11.21 O ATOM 0 H SER A 82 9.332 -5.191 -47.436 1.00 54.12 H new ATOM 0 HA SER A 82 6.587 -5.555 -47.491 1.00 14.13 H new ATOM 0 HB2 SER A 82 7.711 -7.198 -48.655 1.00 73.02 H new ATOM 0 HB3 SER A 82 9.026 -7.280 -47.499 1.00 73.02 H new ATOM 0 HG SER A 82 7.685 -9.172 -47.440 1.00 11.21 H new ATOM 1304 N ALA A 83 7.947 -6.453 -44.614 1.00 34.11 N ATOM 1305 CA ALA A 83 7.648 -6.744 -43.218 1.00 62.10 C ATOM 1306 C ALA A 83 6.706 -5.699 -42.630 1.00 53.55 C ATOM 1307 O ALA A 83 5.701 -6.037 -42.005 1.00 1.10 O ATOM 1308 CB ALA A 83 8.933 -6.815 -42.406 1.00 14.31 C ATOM 0 H ALA A 83 8.942 -6.438 -44.837 1.00 34.11 H new ATOM 0 HA ALA A 83 7.149 -7.712 -43.173 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.694 -7.033 -41.365 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.572 -7.603 -42.804 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.455 -5.860 -42.466 1.00 14.31 H new ATOM 1314 N ARG A 84 7.037 -4.428 -42.834 1.00 14.24 N ATOM 1315 CA ARG A 84 6.221 -3.334 -42.322 1.00 42.23 C ATOM 1316 C ARG A 84 4.838 -3.340 -42.966 1.00 55.53 C ATOM 1317 O ARG A 84 3.839 -3.038 -42.313 1.00 43.13 O ATOM 1318 CB ARG A 84 6.909 -1.992 -42.581 1.00 72.41 C ATOM 1319 CG ARG A 84 7.909 -1.602 -41.504 1.00 43.35 C ATOM 1320 CD ARG A 84 8.473 -0.211 -41.747 1.00 30.14 C ATOM 1321 NE ARG A 84 9.623 -0.236 -42.646 1.00 24.42 N ATOM 1322 CZ ARG A 84 10.069 0.833 -43.298 1.00 23.24 C ATOM 1323 NH1 ARG A 84 9.464 2.003 -43.151 1.00 30.24 N ATOM 1324 NH2 ARG A 84 11.121 0.731 -44.100 1.00 14.35 N ATOM 0 H ARG A 84 7.865 -4.131 -43.350 1.00 14.24 H new ATOM 0 HA ARG A 84 6.104 -3.474 -41.247 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.421 -2.036 -43.542 1.00 72.41 H new ATOM 0 HB3 ARG A 84 6.150 -1.213 -42.659 1.00 72.41 H new ATOM 0 HG2 ARG A 84 7.425 -1.635 -40.528 1.00 43.35 H new ATOM 0 HG3 ARG A 84 8.723 -2.327 -41.481 1.00 43.35 H new ATOM 0 HD2 ARG A 84 7.696 0.426 -42.170 1.00 30.14 H new ATOM 0 HD3 ARG A 84 8.766 0.232 -40.795 1.00 30.14 H new ATOM 0 HE ARG A 84 10.111 -1.122 -42.781 1.00 24.42 H new ATOM 0 HH11 ARG A 84 8.654 2.085 -42.536 1.00 30.24 H new ATOM 0 HH12 ARG A 84 9.808 2.822 -43.652 1.00 30.24 H new ATOM 0 HH21 ARG A 84 11.588 -0.168 -44.217 1.00 14.35 H new ATOM 0 HH22 ARG A 84 11.463 1.552 -44.600 1.00 14.35 H new ATOM 1338 N GLU A 85 4.789 -3.686 -44.248 1.00 51.11 N ATOM 1339 CA GLU A 85 3.527 -3.731 -44.979 1.00 55.12 C ATOM 1340 C GLU A 85 2.635 -4.852 -44.456 1.00 1.33 C ATOM 1341 O GLU A 85 1.433 -4.666 -44.264 1.00 32.23 O ATOM 1342 CB GLU A 85 3.786 -3.923 -46.475 1.00 75.34 C ATOM 1343 CG GLU A 85 4.528 -2.765 -47.119 1.00 45.21 C ATOM 1344 CD GLU A 85 3.874 -2.296 -48.405 1.00 21.03 C ATOM 1345 OE1 GLU A 85 2.636 -2.137 -48.417 1.00 42.31 O ATOM 1346 OE2 GLU A 85 4.601 -2.090 -49.399 1.00 3.32 O ATOM 0 H GLU A 85 5.607 -3.939 -44.802 1.00 51.11 H new ATOM 0 HA GLU A 85 3.013 -2.782 -44.826 1.00 55.12 H new ATOM 0 HB2 GLU A 85 4.361 -4.838 -46.621 1.00 75.34 H new ATOM 0 HB3 GLU A 85 2.833 -4.061 -46.985 1.00 75.34 H new ATOM 0 HG2 GLU A 85 4.576 -1.933 -46.416 1.00 45.21 H new ATOM 0 HG3 GLU A 85 5.555 -3.067 -47.327 1.00 45.21 H new ATOM 1353 N LEU A 86 3.232 -6.017 -44.230 1.00 22.40 N ATOM 1354 CA LEU A 86 2.492 -7.172 -43.730 1.00 21.33 C ATOM 1355 C LEU A 86 1.941 -6.903 -42.334 1.00 20.32 C ATOM 1356 O LEU A 86 0.764 -7.138 -42.064 1.00 2.34 O ATOM 1357 CB LEU A 86 3.393 -8.408 -43.706 1.00 74.11 C ATOM 1358 CG LEU A 86 3.677 -9.058 -45.060 1.00 10.31 C ATOM 1359 CD1 LEU A 86 5.012 -9.786 -45.034 1.00 65.15 C ATOM 1360 CD2 LEU A 86 2.554 -10.014 -45.438 1.00 0.22 C ATOM 0 H LEU A 86 4.226 -6.188 -44.385 1.00 22.40 H new ATOM 0 HA LEU A 86 1.654 -7.354 -44.402 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.344 -8.131 -43.252 1.00 74.11 H new ATOM 0 HB3 LEU A 86 2.935 -9.154 -43.056 1.00 74.11 H new ATOM 0 HG LEU A 86 3.730 -8.273 -45.814 1.00 10.31 H new ATOM 0 HD11 LEU A 86 5.197 -10.242 -46.007 1.00 65.15 H new ATOM 0 HD12 LEU A 86 5.809 -9.077 -44.809 1.00 65.15 H new ATOM 0 HD13 LEU A 86 4.989 -10.561 -44.268 1.00 65.15 H new ATOM 0 HD21 LEU A 86 2.772 -10.468 -46.405 1.00 0.22 H new ATOM 0 HD22 LEU A 86 2.470 -10.794 -44.681 1.00 0.22 H new ATOM 0 HD23 LEU A 86 1.614 -9.465 -45.499 1.00 0.22 H new ATOM 1372 N MET A 87 2.801 -6.404 -41.450 1.00 55.22 N ATOM 1373 CA MET A 87 2.399 -6.100 -40.081 1.00 3.41 C ATOM 1374 C MET A 87 1.401 -4.946 -40.052 1.00 3.31 C ATOM 1375 O MET A 87 0.516 -4.899 -39.198 1.00 33.02 O ATOM 1376 CB MET A 87 3.623 -5.752 -39.234 1.00 13.51 C ATOM 1377 CG MET A 87 4.637 -6.881 -39.139 1.00 72.40 C ATOM 1378 SD MET A 87 3.964 -8.356 -38.349 1.00 23.01 S ATOM 1379 CE MET A 87 3.313 -9.233 -39.768 1.00 34.44 C ATOM 0 H MET A 87 3.779 -6.202 -41.657 1.00 55.22 H new ATOM 0 HA MET A 87 1.917 -6.985 -39.664 1.00 3.41 H new ATOM 0 HB2 MET A 87 4.109 -4.873 -39.657 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.295 -5.483 -38.230 1.00 13.51 H new ATOM 0 HG2 MET A 87 4.985 -7.137 -40.140 1.00 72.40 H new ATOM 0 HG3 MET A 87 5.506 -6.537 -38.578 1.00 72.40 H new ATOM 0 HE1 MET A 87 2.224 -9.223 -39.733 1.00 34.44 H new ATOM 0 HE2 MET A 87 3.651 -8.747 -40.683 1.00 34.44 H new ATOM 0 HE3 MET A 87 3.667 -10.264 -39.753 1.00 34.44 H new ATOM 1389 N LEU A 88 1.550 -4.018 -40.991 1.00 0.04 N ATOM 1390 CA LEU A 88 0.663 -2.863 -41.073 1.00 32.32 C ATOM 1391 C LEU A 88 -0.756 -3.291 -41.439 1.00 31.41 C ATOM 1392 O LEU A 88 -1.723 -2.874 -40.803 1.00 51.04 O ATOM 1393 CB LEU A 88 1.187 -1.863 -42.104 1.00 71.42 C ATOM 1394 CG LEU A 88 0.335 -0.613 -42.321 1.00 15.31 C ATOM 1395 CD1 LEU A 88 1.208 0.568 -42.712 1.00 0.02 C ATOM 1396 CD2 LEU A 88 -0.726 -0.867 -43.382 1.00 33.15 C ATOM 0 H LEU A 88 2.277 -4.043 -41.706 1.00 0.04 H new ATOM 0 HA LEU A 88 0.639 -2.386 -40.093 1.00 32.32 H new ATOM 0 HB2 LEU A 88 2.186 -1.549 -41.801 1.00 71.42 H new ATOM 0 HB3 LEU A 88 1.291 -2.378 -43.059 1.00 71.42 H new ATOM 0 HG LEU A 88 -0.167 -0.373 -41.383 1.00 15.31 H new ATOM 0 HD11 LEU A 88 0.583 1.448 -42.862 1.00 0.02 H new ATOM 0 HD12 LEU A 88 1.929 0.766 -41.919 1.00 0.02 H new ATOM 0 HD13 LEU A 88 1.739 0.338 -43.636 1.00 0.02 H new ATOM 0 HD21 LEU A 88 -1.323 0.034 -43.523 1.00 33.15 H new ATOM 0 HD22 LEU A 88 -0.244 -1.133 -44.322 1.00 33.15 H new ATOM 0 HD23 LEU A 88 -1.373 -1.684 -43.062 1.00 33.15 H new ATOM 1408 N ALA A 89 -0.869 -4.128 -42.465 1.00 5.24 N ATOM 1409 CA ALA A 89 -2.168 -4.615 -42.912 1.00 72.31 C ATOM 1410 C ALA A 89 -2.722 -5.660 -41.950 1.00 53.31 C ATOM 1411 O ALA A 89 -3.883 -5.589 -41.544 1.00 61.11 O ATOM 1412 CB ALA A 89 -2.060 -5.193 -44.315 1.00 53.34 C ATOM 0 H ALA A 89 -0.077 -4.483 -43.002 1.00 5.24 H new ATOM 0 HA ALA A 89 -2.859 -3.772 -42.930 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -3.037 -5.553 -44.636 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -1.714 -4.420 -45.001 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -1.351 -6.021 -44.314 1.00 53.34 H new ATOM 1418 N GLN A 90 -1.887 -6.630 -41.590 1.00 12.11 N ATOM 1419 CA GLN A 90 -2.296 -7.689 -40.675 1.00 12.45 C ATOM 1420 C GLN A 90 -1.340 -7.788 -39.492 1.00 41.24 C ATOM 1421 O GLN A 90 -0.491 -8.676 -39.420 1.00 10.03 O ATOM 1422 CB GLN A 90 -2.356 -9.030 -41.410 1.00 3.41 C ATOM 1423 CG GLN A 90 -1.154 -9.288 -42.304 1.00 23.53 C ATOM 1424 CD GLN A 90 -1.258 -10.600 -43.059 1.00 74.41 C ATOM 1425 OE1 GLN A 90 -1.907 -10.679 -44.102 1.00 50.25 O ATOM 1426 NE2 GLN A 90 -0.619 -11.637 -42.532 1.00 33.14 N ATOM 0 H GLN A 90 -0.924 -6.704 -41.918 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.288 -7.444 -40.296 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -2.432 -9.833 -40.677 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -3.262 -9.063 -42.015 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -1.054 -8.470 -43.017 1.00 23.53 H new ATOM 0 HG3 GLN A 90 -0.249 -9.294 -41.697 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -0.093 -11.525 -41.665 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -0.654 -12.546 -42.994 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.477 -6.852 -38.541 1.00 51.14 N ATOM 1436 CA PRO A 91 -0.633 -6.812 -37.343 1.00 32.24 C ATOM 1437 C PRO A 91 -0.926 -7.965 -36.388 1.00 54.10 C ATOM 1438 O PRO A 91 -0.212 -8.165 -35.406 1.00 35.34 O ATOM 1439 CB PRO A 91 -1.001 -5.474 -36.694 1.00 71.34 C ATOM 1440 CG PRO A 91 -2.383 -5.189 -37.173 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.466 -5.762 -38.561 1.00 34.13 C ATOM 0 HA PRO A 91 0.425 -6.907 -37.587 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -0.964 -5.538 -35.607 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -0.309 -4.686 -36.991 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -3.125 -5.645 -36.518 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -2.580 -4.117 -37.181 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.467 -6.132 -38.784 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.226 -5.016 -39.319 1.00 34.13 H new ATOM 1449 N SER A 92 -1.978 -8.720 -36.686 1.00 20.51 N ATOM 1450 CA SER A 92 -2.366 -9.851 -35.852 1.00 11.34 C ATOM 1451 C SER A 92 -1.307 -10.948 -35.898 1.00 43.02 C ATOM 1452 O SER A 92 -1.341 -11.892 -35.109 1.00 60.53 O ATOM 1453 CB SER A 92 -3.715 -10.410 -36.309 1.00 1.20 C ATOM 1454 OG SER A 92 -4.765 -9.501 -36.026 1.00 33.02 O ATOM 0 H SER A 92 -2.577 -8.569 -37.498 1.00 20.51 H new ATOM 0 HA SER A 92 -2.456 -9.499 -34.824 1.00 11.34 H new ATOM 0 HB2 SER A 92 -3.684 -10.613 -37.379 1.00 1.20 H new ATOM 0 HB3 SER A 92 -3.907 -11.360 -35.809 1.00 1.20 H new ATOM 0 HG SER A 92 -5.616 -9.880 -36.329 1.00 33.02 H new ATOM 1460 N MET A 93 -0.366 -10.816 -36.827 1.00 64.00 N ATOM 1461 CA MET A 93 0.704 -11.795 -36.976 1.00 11.03 C ATOM 1462 C MET A 93 1.796 -11.570 -35.936 1.00 22.03 C ATOM 1463 O MET A 93 2.594 -12.463 -35.654 1.00 62.52 O ATOM 1464 CB MET A 93 1.300 -11.721 -38.383 1.00 21.24 C ATOM 1465 CG MET A 93 2.605 -12.486 -38.531 1.00 71.33 C ATOM 1466 SD MET A 93 2.959 -12.932 -40.242 1.00 63.23 S ATOM 1467 CE MET A 93 3.814 -14.489 -40.016 1.00 50.03 C ATOM 0 H MET A 93 -0.323 -10.040 -37.488 1.00 64.00 H new ATOM 0 HA MET A 93 0.279 -12.787 -36.821 1.00 11.03 H new ATOM 0 HB2 MET A 93 0.575 -12.113 -39.097 1.00 21.24 H new ATOM 0 HB3 MET A 93 1.469 -10.676 -38.642 1.00 21.24 H new ATOM 0 HG2 MET A 93 3.423 -11.880 -38.141 1.00 71.33 H new ATOM 0 HG3 MET A 93 2.562 -13.391 -37.925 1.00 71.33 H new ATOM 0 HE1 MET A 93 4.778 -14.452 -40.524 1.00 50.03 H new ATOM 0 HE2 MET A 93 3.971 -14.667 -38.952 1.00 50.03 H new ATOM 0 HE3 MET A 93 3.214 -15.297 -40.434 1.00 50.03 H new ATOM 1477 N VAL A 94 1.825 -10.368 -35.366 1.00 52.44 N ATOM 1478 CA VAL A 94 2.819 -10.026 -34.356 1.00 10.35 C ATOM 1479 C VAL A 94 2.771 -11.001 -33.186 1.00 43.41 C ATOM 1480 O VAL A 94 1.764 -11.672 -32.962 1.00 40.44 O ATOM 1481 CB VAL A 94 2.609 -8.594 -33.826 1.00 33.42 C ATOM 1482 CG1 VAL A 94 2.591 -7.597 -34.974 1.00 75.05 C ATOM 1483 CG2 VAL A 94 1.326 -8.510 -33.015 1.00 35.21 C ATOM 0 H VAL A 94 1.172 -9.616 -35.587 1.00 52.44 H new ATOM 0 HA VAL A 94 3.795 -10.089 -34.837 1.00 10.35 H new ATOM 0 HB VAL A 94 3.443 -8.341 -33.171 1.00 33.42 H new ATOM 0 HG11 VAL A 94 2.442 -6.592 -34.580 1.00 75.05 H new ATOM 0 HG12 VAL A 94 3.540 -7.640 -35.508 1.00 75.05 H new ATOM 0 HG13 VAL A 94 1.778 -7.844 -35.657 1.00 75.05 H new ATOM 0 HG21 VAL A 94 1.193 -7.492 -32.648 1.00 35.21 H new ATOM 0 HG22 VAL A 94 0.479 -8.782 -33.645 1.00 35.21 H new ATOM 0 HG23 VAL A 94 1.384 -9.195 -32.169 1.00 35.21 H new ATOM 1493 N LYS A 95 3.869 -11.074 -32.440 1.00 21.24 N ATOM 1494 CA LYS A 95 3.955 -11.967 -31.289 1.00 1.24 C ATOM 1495 C LYS A 95 3.050 -11.485 -30.159 1.00 13.35 C ATOM 1496 O LYS A 95 2.564 -10.354 -30.179 1.00 52.22 O ATOM 1497 CB LYS A 95 5.400 -12.059 -30.795 1.00 62.41 C ATOM 1498 CG LYS A 95 6.297 -12.895 -31.693 1.00 12.43 C ATOM 1499 CD LYS A 95 7.589 -13.275 -30.990 1.00 23.31 C ATOM 1500 CE LYS A 95 8.436 -14.203 -31.846 1.00 33.13 C ATOM 1501 NZ LYS A 95 8.187 -15.636 -31.526 1.00 64.41 N ATOM 0 H LYS A 95 4.712 -10.526 -32.612 1.00 21.24 H new ATOM 0 HA LYS A 95 3.622 -12.956 -31.602 1.00 1.24 H new ATOM 0 HB2 LYS A 95 5.813 -11.053 -30.717 1.00 62.41 H new ATOM 0 HB3 LYS A 95 5.406 -12.485 -29.792 1.00 62.41 H new ATOM 0 HG2 LYS A 95 5.768 -13.798 -31.998 1.00 12.43 H new ATOM 0 HG3 LYS A 95 6.526 -12.337 -32.601 1.00 12.43 H new ATOM 0 HD2 LYS A 95 8.156 -12.374 -30.757 1.00 23.31 H new ATOM 0 HD3 LYS A 95 7.359 -13.761 -30.042 1.00 23.31 H new ATOM 0 HE2 LYS A 95 8.220 -14.023 -32.899 1.00 33.13 H new ATOM 0 HE3 LYS A 95 9.491 -13.975 -31.694 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 8.719 -16.237 -32.187 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 8.497 -15.833 -30.553 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 7.171 -15.840 -31.614 1.00 64.41 H new ATOM 1515 N ARG A 96 2.829 -12.351 -29.175 1.00 23.43 N ATOM 1516 CA ARG A 96 1.983 -12.013 -28.037 1.00 52.42 C ATOM 1517 C ARG A 96 2.176 -13.014 -26.900 1.00 73.24 C ATOM 1518 O ARG A 96 2.598 -14.152 -27.108 1.00 25.00 O ATOM 1519 CB ARG A 96 0.513 -11.981 -28.458 1.00 2.41 C ATOM 1520 CG ARG A 96 0.100 -13.164 -29.320 1.00 32.35 C ATOM 1521 CD ARG A 96 0.192 -12.834 -30.801 1.00 1.31 C ATOM 1522 NE ARG A 96 0.918 -13.859 -31.547 1.00 4.33 N ATOM 1523 CZ ARG A 96 0.441 -15.077 -31.775 1.00 22.53 C ATOM 1524 NH1 ARG A 96 -0.756 -15.421 -31.318 1.00 21.10 N ATOM 1525 NH2 ARG A 96 1.160 -15.955 -32.463 1.00 31.42 N ATOM 0 H ARG A 96 3.224 -13.291 -29.143 1.00 23.43 H new ATOM 0 HA ARG A 96 2.273 -11.024 -27.682 1.00 52.42 H new ATOM 0 HB2 ARG A 96 -0.111 -11.957 -27.565 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.321 -11.058 -29.006 1.00 2.41 H new ATOM 0 HG2 ARG A 96 0.738 -14.019 -29.096 1.00 32.35 H new ATOM 0 HG3 ARG A 96 -0.921 -13.456 -29.074 1.00 32.35 H new ATOM 0 HD2 ARG A 96 -0.812 -12.730 -31.212 1.00 1.31 H new ATOM 0 HD3 ARG A 96 0.690 -11.873 -30.928 1.00 1.31 H new ATOM 0 HE ARG A 96 1.841 -13.626 -31.913 1.00 4.33 H new ATOM 0 HH11 ARG A 96 -1.313 -14.749 -30.790 1.00 21.10 H new ATOM 0 HH12 ARG A 96 -1.120 -16.357 -31.495 1.00 21.10 H new ATOM 0 HH21 ARG A 96 2.080 -15.695 -32.817 1.00 31.42 H new ATOM 0 HH22 ARG A 96 0.792 -16.890 -32.637 1.00 31.42 H new ATOM 1539 N PRO A 97 1.860 -12.580 -25.671 1.00 5.45 N ATOM 1540 CA PRO A 97 1.357 -11.228 -25.413 1.00 55.21 C ATOM 1541 C PRO A 97 2.428 -10.162 -25.619 1.00 1.12 C ATOM 1542 O PRO A 97 3.623 -10.460 -25.616 1.00 11.34 O ATOM 1543 CB PRO A 97 0.933 -11.282 -23.943 1.00 63.23 C ATOM 1544 CG PRO A 97 1.768 -12.363 -23.347 1.00 53.40 C ATOM 1545 CD PRO A 97 1.971 -13.378 -24.438 1.00 14.11 C ATOM 0 HA PRO A 97 0.551 -10.956 -26.094 1.00 55.21 H new ATOM 0 HB2 PRO A 97 1.107 -10.328 -23.446 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.130 -11.503 -23.845 1.00 63.23 H new ATOM 0 HG2 PRO A 97 2.723 -11.971 -22.997 1.00 53.40 H new ATOM 0 HG3 PRO A 97 1.271 -12.810 -22.486 1.00 53.40 H new ATOM 0 HD2 PRO A 97 2.944 -13.863 -24.360 1.00 14.11 H new ATOM 0 HD3 PRO A 97 1.218 -14.165 -24.400 1.00 14.11 H new ATOM 1553 N VAL A 98 1.991 -8.920 -25.799 1.00 75.11 N ATOM 1554 CA VAL A 98 2.913 -7.809 -26.005 1.00 22.51 C ATOM 1555 C VAL A 98 2.855 -6.824 -24.843 1.00 20.24 C ATOM 1556 O VAL A 98 1.779 -6.371 -24.451 1.00 74.34 O ATOM 1557 CB VAL A 98 2.604 -7.059 -27.314 1.00 62.21 C ATOM 1558 CG1 VAL A 98 3.533 -5.865 -27.479 1.00 65.22 C ATOM 1559 CG2 VAL A 98 2.716 -8.000 -28.505 1.00 73.13 C ATOM 0 H VAL A 98 1.005 -8.658 -25.806 1.00 75.11 H new ATOM 0 HA VAL A 98 3.914 -8.236 -26.066 1.00 22.51 H new ATOM 0 HB VAL A 98 1.580 -6.688 -27.267 1.00 62.21 H new ATOM 0 HG11 VAL A 98 3.299 -5.348 -28.410 1.00 65.22 H new ATOM 0 HG12 VAL A 98 3.399 -5.181 -26.641 1.00 65.22 H new ATOM 0 HG13 VAL A 98 4.567 -6.209 -27.505 1.00 65.22 H new ATOM 0 HG21 VAL A 98 2.495 -7.454 -29.422 1.00 73.13 H new ATOM 0 HG22 VAL A 98 3.728 -8.402 -28.557 1.00 73.13 H new ATOM 0 HG23 VAL A 98 2.006 -8.819 -28.390 1.00 73.13 H new ATOM 1569 N LEU A 99 4.020 -6.494 -24.296 1.00 44.10 N ATOM 1570 CA LEU A 99 4.103 -5.561 -23.178 1.00 22.24 C ATOM 1571 C LEU A 99 4.884 -4.310 -23.569 1.00 30.44 C ATOM 1572 O LEU A 99 5.902 -4.393 -24.254 1.00 63.23 O ATOM 1573 CB LEU A 99 4.766 -6.233 -21.974 1.00 31.22 C ATOM 1574 CG LEU A 99 4.503 -5.586 -20.614 1.00 2.12 C ATOM 1575 CD1 LEU A 99 4.661 -6.607 -19.497 1.00 64.20 C ATOM 1576 CD2 LEU A 99 5.437 -4.405 -20.396 1.00 2.44 C ATOM 0 H LEU A 99 4.920 -6.859 -24.609 1.00 44.10 H new ATOM 0 HA LEU A 99 3.089 -5.265 -22.909 1.00 22.24 H new ATOM 0 HB2 LEU A 99 4.431 -7.269 -21.932 1.00 31.22 H new ATOM 0 HB3 LEU A 99 5.843 -6.253 -22.142 1.00 31.22 H new ATOM 0 HG LEU A 99 3.477 -5.219 -20.600 1.00 2.12 H new ATOM 0 HD11 LEU A 99 4.470 -6.128 -18.537 1.00 64.20 H new ATOM 0 HD12 LEU A 99 3.951 -7.420 -19.644 1.00 64.20 H new ATOM 0 HD13 LEU A 99 5.676 -7.005 -19.509 1.00 64.20 H new ATOM 0 HD21 LEU A 99 5.236 -3.957 -19.423 1.00 2.44 H new ATOM 0 HD22 LEU A 99 6.471 -4.748 -20.431 1.00 2.44 H new ATOM 0 HD23 LEU A 99 5.274 -3.663 -21.178 1.00 2.44 H new ATOM 1588 N GLU A 100 4.399 -3.154 -23.126 1.00 64.22 N ATOM 1589 CA GLU A 100 5.054 -1.887 -23.429 1.00 43.31 C ATOM 1590 C GLU A 100 5.499 -1.184 -22.150 1.00 30.33 C ATOM 1591 O GLU A 100 4.811 -1.233 -21.131 1.00 5.33 O ATOM 1592 CB GLU A 100 4.112 -0.978 -24.222 1.00 12.53 C ATOM 1593 CG GLU A 100 4.828 0.123 -24.986 1.00 51.33 C ATOM 1594 CD GLU A 100 4.970 1.398 -24.176 1.00 23.35 C ATOM 1595 OE1 GLU A 100 4.038 1.720 -23.410 1.00 3.32 O ATOM 1596 OE2 GLU A 100 6.014 2.071 -24.307 1.00 13.23 O ATOM 0 H GLU A 100 3.557 -3.069 -22.557 1.00 64.22 H new ATOM 0 HA GLU A 100 5.937 -2.099 -24.032 1.00 43.31 H new ATOM 0 HB2 GLU A 100 3.542 -1.585 -24.925 1.00 12.53 H new ATOM 0 HB3 GLU A 100 3.395 -0.526 -23.537 1.00 12.53 H new ATOM 0 HG2 GLU A 100 5.817 -0.228 -25.280 1.00 51.33 H new ATOM 0 HG3 GLU A 100 4.280 0.339 -25.903 1.00 51.33 H new ATOM 1603 N ARG A 101 6.654 -0.531 -22.212 1.00 4.25 N ATOM 1604 CA ARG A 101 7.193 0.181 -21.059 1.00 32.41 C ATOM 1605 C ARG A 101 8.419 1.000 -21.450 1.00 74.21 C ATOM 1606 O ARG A 101 9.387 0.467 -21.994 1.00 12.55 O ATOM 1607 CB ARG A 101 7.559 -0.807 -19.950 1.00 44.21 C ATOM 1608 CG ARG A 101 7.470 -0.213 -18.553 1.00 1.21 C ATOM 1609 CD ARG A 101 8.763 0.483 -18.160 1.00 54.35 C ATOM 1610 NE ARG A 101 9.760 -0.457 -17.655 1.00 52.24 N ATOM 1611 CZ ARG A 101 10.790 -0.099 -16.897 1.00 25.22 C ATOM 1612 NH1 ARG A 101 10.959 1.172 -16.558 1.00 24.34 N ATOM 1613 NH2 ARG A 101 11.656 -1.013 -16.476 1.00 11.44 N ATOM 0 H ARG A 101 7.235 -0.480 -23.049 1.00 4.25 H new ATOM 0 HA ARG A 101 6.425 0.862 -20.692 1.00 32.41 H new ATOM 0 HB2 ARG A 101 6.897 -1.671 -20.011 1.00 44.21 H new ATOM 0 HB3 ARG A 101 8.573 -1.170 -20.118 1.00 44.21 H new ATOM 0 HG2 ARG A 101 6.645 0.498 -18.511 1.00 1.21 H new ATOM 0 HG3 ARG A 101 7.247 -1.002 -17.835 1.00 1.21 H new ATOM 0 HD2 ARG A 101 9.167 1.011 -19.024 1.00 54.35 H new ATOM 0 HD3 ARG A 101 8.553 1.233 -17.398 1.00 54.35 H new ATOM 0 HE ARG A 101 9.660 -1.443 -17.898 1.00 52.24 H new ATOM 0 HH11 ARG A 101 10.297 1.878 -16.880 1.00 24.34 H new ATOM 0 HH12 ARG A 101 11.751 1.444 -15.976 1.00 24.34 H new ATOM 0 HH21 ARG A 101 11.531 -1.992 -16.735 1.00 11.44 H new ATOM 0 HH22 ARG A 101 12.447 -0.737 -15.894 1.00 11.44 H new ATOM 1627 N ASP A 102 8.371 2.299 -21.170 1.00 73.03 N ATOM 1628 CA ASP A 102 9.477 3.191 -21.492 1.00 63.23 C ATOM 1629 C ASP A 102 9.710 3.248 -22.999 1.00 24.24 C ATOM 1630 O ASP A 102 10.848 3.325 -23.459 1.00 10.42 O ATOM 1631 CB ASP A 102 10.753 2.734 -20.783 1.00 41.13 C ATOM 1632 CG ASP A 102 11.858 3.770 -20.853 1.00 72.41 C ATOM 1633 OD1 ASP A 102 11.648 4.896 -20.355 1.00 51.21 O ATOM 1634 OD2 ASP A 102 12.932 3.456 -21.408 1.00 22.03 O ATOM 0 H ASP A 102 7.578 2.756 -20.721 1.00 73.03 H new ATOM 0 HA ASP A 102 9.216 4.191 -21.145 1.00 63.23 H new ATOM 0 HB2 ASP A 102 10.527 2.518 -19.739 1.00 41.13 H new ATOM 0 HB3 ASP A 102 11.102 1.804 -21.233 1.00 41.13 H new ATOM 1639 N GLY A 103 8.623 3.209 -23.763 1.00 2.43 N ATOM 1640 CA GLY A 103 8.730 3.254 -25.209 1.00 31.54 C ATOM 1641 C GLY A 103 9.402 2.022 -25.780 1.00 30.50 C ATOM 1642 O GLY A 103 9.858 2.028 -26.924 1.00 10.41 O ATOM 0 H GLY A 103 7.670 3.147 -23.406 1.00 2.43 H new ATOM 0 HA2 GLY A 103 7.734 3.354 -25.641 1.00 31.54 H new ATOM 0 HA3 GLY A 103 9.294 4.140 -25.501 1.00 31.54 H new ATOM 1646 N LYS A 104 9.465 0.961 -24.982 1.00 25.14 N ATOM 1647 CA LYS A 104 10.086 -0.285 -25.414 1.00 25.34 C ATOM 1648 C LYS A 104 9.081 -1.432 -25.386 1.00 14.23 C ATOM 1649 O LYS A 104 8.342 -1.601 -24.414 1.00 31.24 O ATOM 1650 CB LYS A 104 11.283 -0.619 -24.519 1.00 11.12 C ATOM 1651 CG LYS A 104 12.571 0.060 -24.949 1.00 33.24 C ATOM 1652 CD LYS A 104 13.371 -0.813 -25.901 1.00 41.15 C ATOM 1653 CE LYS A 104 14.283 -1.768 -25.148 1.00 4.32 C ATOM 1654 NZ LYS A 104 13.582 -3.029 -24.777 1.00 32.45 N ATOM 0 H LYS A 104 9.093 0.940 -24.032 1.00 25.14 H new ATOM 0 HA LYS A 104 10.432 -0.154 -26.439 1.00 25.34 H new ATOM 0 HB2 LYS A 104 11.053 -0.327 -23.494 1.00 11.12 H new ATOM 0 HB3 LYS A 104 11.434 -1.698 -24.517 1.00 11.12 H new ATOM 0 HG2 LYS A 104 12.339 1.009 -25.432 1.00 33.24 H new ATOM 0 HG3 LYS A 104 13.174 0.289 -24.070 1.00 33.24 H new ATOM 0 HD2 LYS A 104 12.690 -1.382 -26.534 1.00 41.15 H new ATOM 0 HD3 LYS A 104 13.967 -0.182 -26.560 1.00 41.15 H new ATOM 0 HE2 LYS A 104 15.151 -2.003 -25.764 1.00 4.32 H new ATOM 0 HE3 LYS A 104 14.655 -1.280 -24.247 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 14.272 -3.804 -24.714 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 13.112 -2.907 -23.857 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 12.871 -3.257 -25.501 1.00 32.45 H new ATOM 1668 N LEU A 105 9.060 -2.220 -26.455 1.00 31.53 N ATOM 1669 CA LEU A 105 8.146 -3.353 -26.553 1.00 20.33 C ATOM 1670 C LEU A 105 8.841 -4.649 -26.149 1.00 75.31 C ATOM 1671 O LEU A 105 10.007 -4.867 -26.475 1.00 23.42 O ATOM 1672 CB LEU A 105 7.603 -3.475 -27.977 1.00 32.41 C ATOM 1673 CG LEU A 105 6.166 -3.980 -28.108 1.00 52.15 C ATOM 1674 CD1 LEU A 105 5.206 -3.052 -27.380 1.00 35.41 C ATOM 1675 CD2 LEU A 105 5.776 -4.110 -29.573 1.00 22.22 C ATOM 0 H LEU A 105 9.665 -2.095 -27.266 1.00 31.53 H new ATOM 0 HA LEU A 105 7.316 -3.178 -25.869 1.00 20.33 H new ATOM 0 HB2 LEU A 105 7.668 -2.497 -28.454 1.00 32.41 H new ATOM 0 HB3 LEU A 105 8.255 -4.146 -28.536 1.00 32.41 H new ATOM 0 HG LEU A 105 6.106 -4.966 -27.648 1.00 52.15 H new ATOM 0 HD11 LEU A 105 4.188 -3.427 -27.484 1.00 35.41 H new ATOM 0 HD12 LEU A 105 5.471 -3.010 -26.324 1.00 35.41 H new ATOM 0 HD13 LEU A 105 5.270 -2.052 -27.810 1.00 35.41 H new ATOM 0 HD21 LEU A 105 4.750 -4.471 -29.646 1.00 22.22 H new ATOM 0 HD22 LEU A 105 5.854 -3.137 -30.058 1.00 22.22 H new ATOM 0 HD23 LEU A 105 6.444 -4.816 -30.066 1.00 22.22 H new ATOM 1687 N MET A 106 8.117 -5.507 -25.438 1.00 74.33 N ATOM 1688 CA MET A 106 8.663 -6.783 -24.993 1.00 20.31 C ATOM 1689 C MET A 106 7.717 -7.930 -25.338 1.00 43.33 C ATOM 1690 O MET A 106 6.500 -7.752 -25.380 1.00 3.02 O ATOM 1691 CB MET A 106 8.919 -6.754 -23.484 1.00 44.33 C ATOM 1692 CG MET A 106 10.085 -5.865 -23.083 1.00 71.01 C ATOM 1693 SD MET A 106 10.511 -6.025 -21.339 1.00 50.21 S ATOM 1694 CE MET A 106 10.002 -4.425 -20.717 1.00 61.54 C ATOM 0 H MET A 106 7.150 -5.341 -25.158 1.00 74.33 H new ATOM 0 HA MET A 106 9.608 -6.946 -25.512 1.00 20.31 H new ATOM 0 HB2 MET A 106 8.018 -6.408 -22.977 1.00 44.33 H new ATOM 0 HB3 MET A 106 9.110 -7.769 -23.137 1.00 44.33 H new ATOM 0 HG2 MET A 106 10.955 -6.117 -23.690 1.00 71.01 H new ATOM 0 HG3 MET A 106 9.836 -4.826 -23.298 1.00 71.01 H new ATOM 0 HE1 MET A 106 10.202 -4.370 -19.647 1.00 61.54 H new ATOM 0 HE2 MET A 106 10.558 -3.641 -21.231 1.00 61.54 H new ATOM 0 HE3 MET A 106 8.935 -4.288 -20.894 1.00 61.54 H new ATOM 1704 N VAL A 107 8.286 -9.106 -25.585 1.00 75.01 N ATOM 1705 CA VAL A 107 7.494 -10.281 -25.926 1.00 61.12 C ATOM 1706 C VAL A 107 7.140 -11.086 -24.681 1.00 44.11 C ATOM 1707 O VAL A 107 7.950 -11.215 -23.763 1.00 61.33 O ATOM 1708 CB VAL A 107 8.240 -11.192 -26.919 1.00 11.11 C ATOM 1709 CG1 VAL A 107 7.327 -12.303 -27.415 1.00 22.41 C ATOM 1710 CG2 VAL A 107 8.783 -10.378 -28.084 1.00 1.13 C ATOM 0 H VAL A 107 9.292 -9.270 -25.555 1.00 75.01 H new ATOM 0 HA VAL A 107 6.578 -9.920 -26.394 1.00 61.12 H new ATOM 0 HB VAL A 107 9.082 -11.651 -26.401 1.00 11.11 H new ATOM 0 HG11 VAL A 107 7.872 -12.936 -28.115 1.00 22.41 H new ATOM 0 HG12 VAL A 107 6.991 -12.903 -26.569 1.00 22.41 H new ATOM 0 HG13 VAL A 107 6.463 -11.867 -27.916 1.00 22.41 H new ATOM 0 HG21 VAL A 107 9.307 -11.038 -28.776 1.00 1.13 H new ATOM 0 HG22 VAL A 107 7.958 -9.890 -28.603 1.00 1.13 H new ATOM 0 HG23 VAL A 107 9.474 -9.623 -27.709 1.00 1.13 H new ATOM 1720 N GLY A 108 5.926 -11.627 -24.657 1.00 3.25 N ATOM 1721 CA GLY A 108 5.487 -12.414 -23.519 1.00 34.24 C ATOM 1722 C GLY A 108 6.329 -13.657 -23.314 1.00 63.12 C ATOM 1723 O GLY A 108 7.170 -13.991 -24.149 1.00 74.34 O ATOM 0 H GLY A 108 5.239 -11.535 -25.405 1.00 3.25 H new ATOM 0 HA2 GLY A 108 5.527 -11.800 -22.619 1.00 34.24 H new ATOM 0 HA3 GLY A 108 4.446 -12.704 -23.662 1.00 34.24 H new ATOM 1727 N PHE A 109 6.105 -14.345 -22.200 1.00 65.53 N ATOM 1728 CA PHE A 109 6.851 -15.558 -21.886 1.00 34.22 C ATOM 1729 C PHE A 109 5.910 -16.683 -21.465 1.00 13.12 C ATOM 1730 O PHE A 109 4.796 -16.435 -21.002 1.00 33.42 O ATOM 1731 CB PHE A 109 7.867 -15.284 -20.775 1.00 43.33 C ATOM 1732 CG PHE A 109 9.033 -14.449 -21.220 1.00 4.44 C ATOM 1733 CD1 PHE A 109 9.892 -14.906 -22.207 1.00 74.21 C ATOM 1734 CD2 PHE A 109 9.270 -13.207 -20.653 1.00 64.54 C ATOM 1735 CE1 PHE A 109 10.966 -14.140 -22.619 1.00 22.11 C ATOM 1736 CE2 PHE A 109 10.343 -12.437 -21.062 1.00 30.44 C ATOM 1737 CZ PHE A 109 11.192 -12.905 -22.045 1.00 13.51 C ATOM 0 H PHE A 109 5.412 -14.083 -21.499 1.00 65.53 H new ATOM 0 HA PHE A 109 7.382 -15.871 -22.785 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.364 -14.780 -19.950 1.00 43.33 H new ATOM 0 HB3 PHE A 109 8.237 -16.234 -20.390 1.00 43.33 H new ATOM 0 HD1 PHE A 109 9.720 -15.872 -22.659 1.00 74.21 H new ATOM 0 HD2 PHE A 109 8.609 -12.836 -19.883 1.00 64.54 H new ATOM 0 HE1 PHE A 109 11.628 -14.507 -23.389 1.00 22.11 H new ATOM 0 HE2 PHE A 109 10.517 -11.470 -20.613 1.00 30.44 H new ATOM 0 HZ PHE A 109 12.032 -12.306 -22.364 1.00 13.51 H new ATOM 1747 N LYS A 110 6.366 -17.920 -21.629 1.00 53.10 N ATOM 1748 CA LYS A 110 5.567 -19.084 -21.265 1.00 31.01 C ATOM 1749 C LYS A 110 5.117 -19.004 -19.811 1.00 43.41 C ATOM 1750 O LYS A 110 5.701 -18.290 -18.994 1.00 73.41 O ATOM 1751 CB LYS A 110 6.367 -20.368 -21.493 1.00 1.21 C ATOM 1752 CG LYS A 110 6.344 -20.854 -22.931 1.00 30.45 C ATOM 1753 CD LYS A 110 4.953 -21.306 -23.344 1.00 25.15 C ATOM 1754 CE LYS A 110 4.948 -21.875 -24.756 1.00 71.12 C ATOM 1755 NZ LYS A 110 5.368 -23.303 -24.779 1.00 33.33 N ATOM 0 H LYS A 110 7.285 -18.142 -22.012 1.00 53.10 H new ATOM 0 HA LYS A 110 4.681 -19.097 -21.899 1.00 31.01 H new ATOM 0 HB2 LYS A 110 7.401 -20.200 -21.192 1.00 1.21 H new ATOM 0 HB3 LYS A 110 5.971 -21.152 -20.847 1.00 1.21 H new ATOM 0 HG2 LYS A 110 6.679 -20.054 -23.592 1.00 30.45 H new ATOM 0 HG3 LYS A 110 7.046 -21.680 -23.048 1.00 30.45 H new ATOM 0 HD2 LYS A 110 4.592 -22.061 -22.645 1.00 25.15 H new ATOM 0 HD3 LYS A 110 4.264 -20.464 -23.288 1.00 25.15 H new ATOM 0 HE2 LYS A 110 3.948 -21.783 -25.181 1.00 71.12 H new ATOM 0 HE3 LYS A 110 5.617 -21.289 -25.386 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 5.352 -23.654 -25.758 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 6.332 -23.388 -24.397 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 4.715 -23.866 -24.198 1.00 33.33 H new ATOM 1769 N PRO A 111 4.056 -19.752 -19.476 1.00 3.22 N ATOM 1770 CA PRO A 111 3.507 -19.783 -18.117 1.00 31.43 C ATOM 1771 C PRO A 111 4.435 -20.485 -17.132 1.00 53.03 C ATOM 1772 O PRO A 111 4.714 -19.967 -16.051 1.00 72.25 O ATOM 1773 CB PRO A 111 2.204 -20.572 -18.279 1.00 2.05 C ATOM 1774 CG PRO A 111 2.424 -21.423 -19.482 1.00 62.33 C ATOM 1775 CD PRO A 111 3.310 -20.625 -20.397 1.00 71.40 C ATOM 0 HA PRO A 111 3.368 -18.781 -17.711 1.00 31.43 H new ATOM 0 HB2 PRO A 111 1.996 -21.179 -17.398 1.00 2.05 H new ATOM 0 HB3 PRO A 111 1.352 -19.906 -18.416 1.00 2.05 H new ATOM 0 HG2 PRO A 111 2.894 -22.368 -19.211 1.00 62.33 H new ATOM 0 HG3 PRO A 111 1.478 -21.665 -19.967 1.00 62.33 H new ATOM 0 HD2 PRO A 111 3.978 -21.268 -20.970 1.00 71.40 H new ATOM 0 HD3 PRO A 111 2.729 -20.047 -21.116 1.00 71.40 H new ATOM 1783 N ALA A 112 4.911 -21.666 -17.513 1.00 62.44 N ATOM 1784 CA ALA A 112 5.811 -22.437 -16.664 1.00 52.52 C ATOM 1785 C ALA A 112 7.088 -21.659 -16.368 1.00 34.24 C ATOM 1786 O ALA A 112 7.619 -21.721 -15.260 1.00 74.33 O ATOM 1787 CB ALA A 112 6.143 -23.769 -17.320 1.00 45.03 C ATOM 0 H ALA A 112 4.688 -22.110 -18.404 1.00 62.44 H new ATOM 0 HA ALA A 112 5.304 -22.626 -15.718 1.00 52.52 H new ATOM 0 HB1 ALA A 112 6.816 -24.334 -16.675 1.00 45.03 H new ATOM 0 HB2 ALA A 112 5.226 -24.337 -17.474 1.00 45.03 H new ATOM 0 HB3 ALA A 112 6.626 -23.591 -18.281 1.00 45.03 H new ATOM 1793 N GLN A 113 7.575 -20.926 -17.364 1.00 34.25 N ATOM 1794 CA GLN A 113 8.790 -20.137 -17.208 1.00 42.12 C ATOM 1795 C GLN A 113 8.541 -18.922 -16.321 1.00 63.54 C ATOM 1796 O GLN A 113 9.298 -18.658 -15.387 1.00 30.03 O ATOM 1797 CB GLN A 113 9.309 -19.686 -18.575 1.00 62.35 C ATOM 1798 CG GLN A 113 9.401 -20.813 -19.592 1.00 53.13 C ATOM 1799 CD GLN A 113 10.456 -21.841 -19.231 1.00 30.34 C ATOM 1800 OE1 GLN A 113 10.159 -22.854 -18.597 1.00 1.43 O ATOM 1801 NE2 GLN A 113 11.695 -21.585 -19.633 1.00 31.33 N ATOM 0 H GLN A 113 7.146 -20.862 -18.287 1.00 34.25 H new ATOM 0 HA GLN A 113 9.541 -20.765 -16.730 1.00 42.12 H new ATOM 0 HB2 GLN A 113 8.653 -18.908 -18.965 1.00 62.35 H new ATOM 0 HB3 GLN A 113 10.295 -19.238 -18.451 1.00 62.35 H new ATOM 0 HG2 GLN A 113 8.432 -21.305 -19.672 1.00 53.13 H new ATOM 0 HG3 GLN A 113 9.627 -20.395 -20.573 1.00 53.13 H new ATOM 0 HE21 GLN A 113 11.896 -20.733 -20.156 1.00 31.33 H new ATOM 0 HE22 GLN A 113 12.446 -22.241 -19.419 1.00 31.33 H new ATOM 1810 N TYR A 114 7.476 -18.187 -16.618 1.00 74.31 N ATOM 1811 CA TYR A 114 7.128 -16.998 -15.849 1.00 32.54 C ATOM 1812 C TYR A 114 6.972 -17.334 -14.369 1.00 30.52 C ATOM 1813 O TYR A 114 7.440 -16.596 -13.502 1.00 21.43 O ATOM 1814 CB TYR A 114 5.834 -16.380 -16.382 1.00 52.21 C ATOM 1815 CG TYR A 114 5.771 -14.878 -16.224 1.00 71.23 C ATOM 1816 CD1 TYR A 114 6.732 -14.058 -16.802 1.00 2.14 C ATOM 1817 CD2 TYR A 114 4.749 -14.278 -15.498 1.00 72.04 C ATOM 1818 CE1 TYR A 114 6.679 -12.685 -16.661 1.00 70.32 C ATOM 1819 CE2 TYR A 114 4.687 -12.906 -15.353 1.00 0.14 C ATOM 1820 CZ TYR A 114 5.654 -12.114 -15.935 1.00 74.52 C ATOM 1821 OH TYR A 114 5.596 -10.746 -15.792 1.00 24.42 O ATOM 0 H TYR A 114 6.838 -18.394 -17.386 1.00 74.31 H new ATOM 0 HA TYR A 114 7.938 -16.277 -15.957 1.00 32.54 H new ATOM 0 HB2 TYR A 114 5.729 -16.631 -17.438 1.00 52.21 H new ATOM 0 HB3 TYR A 114 4.987 -16.827 -15.863 1.00 52.21 H new ATOM 0 HD1 TYR A 114 7.535 -14.502 -17.372 1.00 2.14 H new ATOM 0 HD2 TYR A 114 3.990 -14.895 -15.039 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.435 -12.062 -17.116 1.00 70.32 H new ATOM 0 HE2 TYR A 114 3.885 -12.456 -14.787 1.00 0.14 H new ATOM 0 HH TYR A 114 4.813 -10.506 -15.254 1.00 24.42 H new ATOM 1831 N GLU A 115 6.313 -18.453 -14.088 1.00 14.02 N ATOM 1832 CA GLU A 115 6.095 -18.887 -12.713 1.00 22.21 C ATOM 1833 C GLU A 115 7.401 -19.355 -12.078 1.00 15.44 C ATOM 1834 O GLU A 115 7.758 -18.927 -10.980 1.00 4.40 O ATOM 1835 CB GLU A 115 5.061 -20.014 -12.668 1.00 5.22 C ATOM 1836 CG GLU A 115 3.744 -19.659 -13.338 1.00 30.50 C ATOM 1837 CD GLU A 115 2.616 -19.468 -12.344 1.00 42.21 C ATOM 1838 OE1 GLU A 115 2.891 -19.009 -11.215 1.00 54.12 O ATOM 1839 OE2 GLU A 115 1.458 -19.777 -12.694 1.00 14.10 O ATOM 0 H GLU A 115 5.921 -19.076 -14.794 1.00 14.02 H new ATOM 0 HA GLU A 115 5.719 -18.036 -12.145 1.00 22.21 H new ATOM 0 HB2 GLU A 115 5.478 -20.898 -13.151 1.00 5.22 H new ATOM 0 HB3 GLU A 115 4.870 -20.279 -11.628 1.00 5.22 H new ATOM 0 HG2 GLU A 115 3.871 -18.745 -13.918 1.00 30.50 H new ATOM 0 HG3 GLU A 115 3.474 -20.447 -14.041 1.00 30.50 H new ATOM 1846 N ALA A 116 8.110 -20.238 -12.775 1.00 50.22 N ATOM 1847 CA ALA A 116 9.376 -20.762 -12.280 1.00 4.31 C ATOM 1848 C ALA A 116 10.390 -19.643 -12.070 1.00 51.44 C ATOM 1849 O ALA A 116 11.315 -19.773 -11.267 1.00 72.23 O ATOM 1850 CB ALA A 116 9.928 -21.804 -13.243 1.00 54.13 C ATOM 0 H ALA A 116 7.828 -20.605 -13.684 1.00 50.22 H new ATOM 0 HA ALA A 116 9.193 -21.235 -11.315 1.00 4.31 H new ATOM 0 HB1 ALA A 116 10.874 -22.187 -12.861 1.00 54.13 H new ATOM 0 HB2 ALA A 116 9.216 -22.624 -13.339 1.00 54.13 H new ATOM 0 HB3 ALA A 116 10.089 -21.348 -14.220 1.00 54.13 H new ATOM 1856 N TYR A 117 10.210 -18.545 -12.795 1.00 54.32 N ATOM 1857 CA TYR A 117 11.112 -17.404 -12.691 1.00 43.12 C ATOM 1858 C TYR A 117 10.759 -16.540 -11.484 1.00 23.32 C ATOM 1859 O TYR A 117 11.597 -16.294 -10.616 1.00 72.22 O ATOM 1860 CB TYR A 117 11.056 -16.564 -13.967 1.00 24.03 C ATOM 1861 CG TYR A 117 12.029 -15.407 -13.975 1.00 64.05 C ATOM 1862 CD1 TYR A 117 13.392 -15.622 -14.148 1.00 53.14 C ATOM 1863 CD2 TYR A 117 11.588 -14.100 -13.810 1.00 22.44 C ATOM 1864 CE1 TYR A 117 14.285 -14.568 -14.154 1.00 11.13 C ATOM 1865 CE2 TYR A 117 12.475 -13.040 -13.817 1.00 40.30 C ATOM 1866 CZ TYR A 117 13.822 -13.279 -13.989 1.00 14.53 C ATOM 1867 OH TYR A 117 14.708 -12.227 -13.997 1.00 31.20 O ATOM 0 H TYR A 117 9.448 -18.421 -13.461 1.00 54.32 H new ATOM 0 HA TYR A 117 12.125 -17.785 -12.560 1.00 43.12 H new ATOM 0 HB2 TYR A 117 11.261 -17.206 -14.824 1.00 24.03 H new ATOM 0 HB3 TYR A 117 10.045 -16.178 -14.093 1.00 24.03 H new ATOM 0 HD1 TYR A 117 13.758 -16.629 -14.280 1.00 53.14 H new ATOM 0 HD2 TYR A 117 10.534 -13.909 -13.674 1.00 22.44 H new ATOM 0 HE1 TYR A 117 15.341 -14.752 -14.287 1.00 11.13 H new ATOM 0 HE2 TYR A 117 12.115 -12.030 -13.688 1.00 40.30 H new ATOM 0 HH TYR A 117 14.220 -11.387 -13.870 1.00 31.20 H new ATOM 1877 N PHE A 118 9.512 -16.082 -11.436 1.00 14.14 N ATOM 1878 CA PHE A 118 9.047 -15.246 -10.336 1.00 2.10 C ATOM 1879 C PHE A 118 9.119 -15.999 -9.011 1.00 23.32 C ATOM 1880 O PHE A 118 9.377 -15.409 -7.961 1.00 14.34 O ATOM 1881 CB PHE A 118 7.612 -14.780 -10.594 1.00 24.24 C ATOM 1882 CG PHE A 118 7.005 -14.041 -9.436 1.00 65.14 C ATOM 1883 CD1 PHE A 118 7.712 -13.041 -8.788 1.00 41.02 C ATOM 1884 CD2 PHE A 118 5.726 -14.345 -8.997 1.00 55.11 C ATOM 1885 CE1 PHE A 118 7.156 -12.360 -7.722 1.00 73.25 C ATOM 1886 CE2 PHE A 118 5.165 -13.667 -7.931 1.00 41.31 C ATOM 1887 CZ PHE A 118 5.880 -12.672 -7.294 1.00 31.03 C ATOM 0 H PHE A 118 8.806 -16.276 -12.146 1.00 14.14 H new ATOM 0 HA PHE A 118 9.699 -14.375 -10.274 1.00 2.10 H new ATOM 0 HB2 PHE A 118 7.600 -14.135 -11.473 1.00 24.24 H new ATOM 0 HB3 PHE A 118 6.993 -15.647 -10.826 1.00 24.24 H new ATOM 0 HD1 PHE A 118 8.709 -12.791 -9.120 1.00 41.02 H new ATOM 0 HD2 PHE A 118 5.161 -15.120 -9.493 1.00 55.11 H new ATOM 0 HE1 PHE A 118 7.719 -11.584 -7.224 1.00 73.25 H new ATOM 0 HE2 PHE A 118 4.169 -13.915 -7.597 1.00 41.31 H new ATOM 0 HZ PHE A 118 5.443 -12.139 -6.463 1.00 31.03 H new ATOM 1897 N LYS A 119 8.889 -17.307 -9.068 1.00 45.31 N ATOM 1898 CA LYS A 119 8.928 -18.142 -7.873 1.00 73.12 C ATOM 1899 C LYS A 119 10.355 -18.584 -7.566 1.00 53.44 C ATOM 1900 O LYS A 119 11.067 -19.076 -8.443 1.00 11.14 O ATOM 1901 CB LYS A 119 8.031 -19.369 -8.055 1.00 41.45 C ATOM 1902 CG LYS A 119 7.713 -20.087 -6.756 1.00 3.34 C ATOM 1903 CD LYS A 119 8.758 -21.142 -6.432 1.00 40.53 C ATOM 1904 CE LYS A 119 8.374 -21.947 -5.200 1.00 22.25 C ATOM 1905 NZ LYS A 119 9.328 -23.062 -4.946 1.00 11.40 N ATOM 0 H LYS A 119 8.674 -17.811 -9.928 1.00 45.31 H new ATOM 0 HA LYS A 119 8.560 -17.551 -7.034 1.00 73.12 H new ATOM 0 HB2 LYS A 119 7.099 -19.060 -8.527 1.00 41.45 H new ATOM 0 HB3 LYS A 119 8.518 -20.067 -8.736 1.00 41.45 H new ATOM 0 HG2 LYS A 119 7.661 -19.363 -5.943 1.00 3.34 H new ATOM 0 HG3 LYS A 119 6.732 -20.556 -6.829 1.00 3.34 H new ATOM 0 HD2 LYS A 119 8.876 -21.812 -7.284 1.00 40.53 H new ATOM 0 HD3 LYS A 119 9.723 -20.662 -6.268 1.00 40.53 H new ATOM 0 HE2 LYS A 119 8.345 -21.289 -4.331 1.00 22.25 H new ATOM 0 HE3 LYS A 119 7.370 -22.351 -5.328 1.00 22.25 H new ATOM 0 HZ1 LYS A 119 9.031 -23.586 -4.098 1.00 11.40 H new ATOM 0 HZ2 LYS A 119 9.338 -23.704 -5.764 1.00 11.40 H new ATOM 0 HZ3 LYS A 119 10.282 -22.676 -4.798 1.00 11.40 H new ATOM 1919 N LEU A 120 10.767 -18.408 -6.315 1.00 51.43 N ATOM 1920 CA LEU A 120 12.109 -18.790 -5.891 1.00 62.11 C ATOM 1921 C LEU A 120 12.311 -20.298 -6.013 1.00 51.03 C ATOM 1922 O LEU A 120 12.089 -21.043 -5.058 1.00 22.42 O ATOM 1923 CB LEU A 120 12.355 -18.347 -4.447 1.00 40.12 C ATOM 1924 CG LEU A 120 12.764 -16.887 -4.255 1.00 62.42 C ATOM 1925 CD1 LEU A 120 12.395 -16.409 -2.859 1.00 62.14 C ATOM 1926 CD2 LEU A 120 14.255 -16.712 -4.504 1.00 30.24 C ATOM 0 H LEU A 120 10.191 -18.003 -5.577 1.00 51.43 H new ATOM 0 HA LEU A 120 12.825 -18.292 -6.545 1.00 62.11 H new ATOM 0 HB2 LEU A 120 11.446 -18.528 -3.873 1.00 40.12 H new ATOM 0 HB3 LEU A 120 13.133 -18.981 -4.021 1.00 40.12 H new ATOM 0 HG LEU A 120 12.222 -16.280 -4.980 1.00 62.42 H new ATOM 0 HD11 LEU A 120 12.694 -15.367 -2.740 1.00 62.14 H new ATOM 0 HD12 LEU A 120 11.318 -16.496 -2.718 1.00 62.14 H new ATOM 0 HD13 LEU A 120 12.909 -17.021 -2.117 1.00 62.14 H new ATOM 0 HD21 LEU A 120 14.527 -15.666 -4.363 1.00 30.24 H new ATOM 0 HD22 LEU A 120 14.816 -17.331 -3.804 1.00 30.24 H new ATOM 0 HD23 LEU A 120 14.491 -17.014 -5.524 1.00 30.24 H new TER 1938 LEU A 120