USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 633 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 78 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 6 LYS NZ :NH3+ 150:sc= 0 (180deg=0) USER MOD Set 3.1: A 1 MET N :NH3+ -116:sc= -0.644 (180deg=-5.9!) USER MOD Set 3.2: A 63 SER OG : rot 180:sc= 0.852 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.5) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0.35) USER MOD Single : A 16 THR OG1 : rot -67:sc= 0.785 USER MOD Single : A 17 SER OG : rot -66:sc= 0.641 USER MOD Single : A 19 THR OG1 : rot -165:sc= 0.175 USER MOD Single : A 22 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.062) USER MOD Single : A 23 THR OG1 : rot 152:sc= 0.799 USER MOD Single : A 28 LYS NZ :NH3+ -106:sc= 0.0587 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -2.66 X(o=-2.7,f=-2.7) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.61 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.39) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0517) USER MOD Single : A 60 TYR OH : rot -32:sc= 0.0415 USER MOD Single : A 61 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.4) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 52:sc= 0.331 USER MOD Single : A 69 HIS : no HD1:sc= -4.53! C(o=-4.5!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.163 -0.482 -0.297 1.00 43.41 N ATOM 2 CA MET A 1 1.924 -0.528 -1.540 1.00 61.43 C ATOM 3 C MET A 1 1.232 -1.418 -2.568 1.00 53.32 C ATOM 4 O MET A 1 0.752 -0.938 -3.596 1.00 54.12 O ATOM 5 CB MET A 1 3.341 -1.041 -1.277 1.00 62.31 C ATOM 6 CG MET A 1 4.350 -0.607 -2.328 1.00 53.20 C ATOM 7 SD MET A 1 5.702 0.363 -1.634 1.00 11.31 S ATOM 8 CE MET A 1 7.118 -0.566 -2.216 1.00 5.34 C ATOM 0 H1 MET A 1 0.827 0.488 -0.131 1.00 43.41 H new ATOM 0 H2 MET A 1 0.348 -1.124 -0.365 1.00 43.41 H new ATOM 0 H3 MET A 1 1.771 -0.777 0.493 1.00 43.41 H new ATOM 0 HA MET A 1 1.980 0.484 -1.940 1.00 61.43 H new ATOM 0 HB2 MET A 1 3.671 -0.687 -0.300 1.00 62.31 H new ATOM 0 HB3 MET A 1 3.322 -2.130 -1.232 1.00 62.31 H new ATOM 0 HG2 MET A 1 4.757 -1.490 -2.821 1.00 53.20 H new ATOM 0 HG3 MET A 1 3.842 -0.020 -3.093 1.00 53.20 H new ATOM 0 HE1 MET A 1 8.034 -0.089 -1.867 1.00 5.34 H new ATOM 0 HE2 MET A 1 7.069 -1.584 -1.830 1.00 5.34 H new ATOM 0 HE3 MET A 1 7.114 -0.591 -3.306 1.00 5.34 H new ATOM 18 N LEU A 2 1.184 -2.715 -2.285 1.00 14.40 N ATOM 19 CA LEU A 2 0.550 -3.671 -3.185 1.00 73.45 C ATOM 20 C LEU A 2 -0.783 -4.151 -2.620 1.00 20.44 C ATOM 21 O LEU A 2 -0.847 -4.663 -1.501 1.00 4.12 O ATOM 22 CB LEU A 2 1.475 -4.866 -3.425 1.00 53.14 C ATOM 23 CG LEU A 2 0.889 -6.014 -4.247 1.00 74.34 C ATOM 24 CD1 LEU A 2 1.949 -6.615 -5.157 1.00 20.42 C ATOM 25 CD2 LEU A 2 0.302 -7.079 -3.333 1.00 35.42 C ATOM 0 H LEU A 2 1.577 -3.129 -1.439 1.00 14.40 H new ATOM 0 HA LEU A 2 0.361 -3.169 -4.134 1.00 73.45 H new ATOM 0 HB2 LEU A 2 2.374 -4.509 -3.927 1.00 53.14 H new ATOM 0 HB3 LEU A 2 1.785 -5.260 -2.457 1.00 53.14 H new ATOM 0 HG LEU A 2 0.088 -5.617 -4.870 1.00 74.34 H new ATOM 0 HD11 LEU A 2 1.513 -7.431 -5.734 1.00 20.42 H new ATOM 0 HD12 LEU A 2 2.322 -5.849 -5.836 1.00 20.42 H new ATOM 0 HD13 LEU A 2 2.772 -6.997 -4.554 1.00 20.42 H new ATOM 0 HD21 LEU A 2 -0.111 -7.888 -3.935 1.00 35.42 H new ATOM 0 HD22 LEU A 2 1.084 -7.472 -2.684 1.00 35.42 H new ATOM 0 HD23 LEU A 2 -0.489 -6.640 -2.724 1.00 35.42 H new ATOM 37 N LEU A 3 -1.845 -3.985 -3.400 1.00 32.22 N ATOM 38 CA LEU A 3 -3.177 -4.404 -2.978 1.00 14.42 C ATOM 39 C LEU A 3 -3.937 -5.050 -4.132 1.00 45.34 C ATOM 40 O LEU A 3 -3.738 -4.697 -5.295 1.00 41.11 O ATOM 41 CB LEU A 3 -3.964 -3.206 -2.442 1.00 41.12 C ATOM 42 CG LEU A 3 -4.551 -2.264 -3.494 1.00 11.02 C ATOM 43 CD1 LEU A 3 -5.515 -1.279 -2.850 1.00 24.21 C ATOM 44 CD2 LEU A 3 -3.441 -1.525 -4.227 1.00 73.02 C ATOM 0 H LEU A 3 -1.810 -3.563 -4.328 1.00 32.22 H new ATOM 0 HA LEU A 3 -3.064 -5.142 -2.184 1.00 14.42 H new ATOM 0 HB2 LEU A 3 -4.779 -3.580 -1.823 1.00 41.12 H new ATOM 0 HB3 LEU A 3 -3.308 -2.628 -1.791 1.00 41.12 H new ATOM 0 HG LEU A 3 -5.104 -2.860 -4.220 1.00 11.02 H new ATOM 0 HD11 LEU A 3 -5.923 -0.617 -3.614 1.00 24.21 H new ATOM 0 HD12 LEU A 3 -6.328 -1.825 -2.372 1.00 24.21 H new ATOM 0 HD13 LEU A 3 -4.986 -0.688 -2.102 1.00 24.21 H new ATOM 0 HD21 LEU A 3 -3.877 -0.859 -4.972 1.00 73.02 H new ATOM 0 HD22 LEU A 3 -2.860 -0.940 -3.514 1.00 73.02 H new ATOM 0 HD23 LEU A 3 -2.789 -2.245 -4.722 1.00 73.02 H new ATOM 56 N LYS A 4 -4.809 -5.997 -3.804 1.00 2.42 N ATOM 57 CA LYS A 4 -5.602 -6.690 -4.812 1.00 25.41 C ATOM 58 C LYS A 4 -7.070 -6.289 -4.720 1.00 52.34 C ATOM 59 O LYS A 4 -7.753 -6.612 -3.749 1.00 12.15 O ATOM 60 CB LYS A 4 -5.465 -8.205 -4.644 1.00 22.41 C ATOM 61 CG LYS A 4 -6.440 -9.002 -5.493 1.00 41.04 C ATOM 62 CD LYS A 4 -7.468 -9.721 -4.636 1.00 52.31 C ATOM 63 CE LYS A 4 -6.904 -11.005 -4.048 1.00 70.24 C ATOM 64 NZ LYS A 4 -7.975 -11.996 -3.750 1.00 70.05 N ATOM 0 H LYS A 4 -4.985 -6.302 -2.847 1.00 2.42 H new ATOM 0 HA LYS A 4 -5.226 -6.403 -5.794 1.00 25.41 H new ATOM 0 HB2 LYS A 4 -4.448 -8.500 -4.901 1.00 22.41 H new ATOM 0 HB3 LYS A 4 -5.616 -8.461 -3.595 1.00 22.41 H new ATOM 0 HG2 LYS A 4 -6.948 -8.334 -6.189 1.00 41.04 H new ATOM 0 HG3 LYS A 4 -5.892 -9.729 -6.092 1.00 41.04 H new ATOM 0 HD2 LYS A 4 -7.795 -9.064 -3.830 1.00 52.31 H new ATOM 0 HD3 LYS A 4 -8.348 -9.951 -5.237 1.00 52.31 H new ATOM 0 HE2 LYS A 4 -6.190 -11.441 -4.746 1.00 70.24 H new ATOM 0 HE3 LYS A 4 -6.357 -10.776 -3.134 1.00 70.24 H new ATOM 0 HZ1 LYS A 4 -7.550 -12.857 -3.351 1.00 70.05 H new ATOM 0 HZ2 LYS A 4 -8.643 -11.590 -3.064 1.00 70.05 H new ATOM 0 HZ3 LYS A 4 -8.481 -12.234 -4.627 1.00 70.05 H new ATOM 78 N VAL A 5 -7.551 -5.583 -5.740 1.00 23.44 N ATOM 79 CA VAL A 5 -8.939 -5.140 -5.775 1.00 52.02 C ATOM 80 C VAL A 5 -9.770 -6.010 -6.711 1.00 72.32 C ATOM 81 O VAL A 5 -9.409 -6.216 -7.870 1.00 61.31 O ATOM 82 CB VAL A 5 -9.048 -3.671 -6.226 1.00 21.20 C ATOM 83 CG1 VAL A 5 -8.346 -2.755 -5.235 1.00 62.04 C ATOM 84 CG2 VAL A 5 -8.473 -3.499 -7.624 1.00 22.42 C ATOM 0 H VAL A 5 -6.999 -5.306 -6.552 1.00 23.44 H new ATOM 0 HA VAL A 5 -9.326 -5.231 -4.760 1.00 52.02 H new ATOM 0 HB VAL A 5 -10.102 -3.395 -6.255 1.00 21.20 H new ATOM 0 HG11 VAL A 5 -8.433 -1.721 -5.570 1.00 62.04 H new ATOM 0 HG12 VAL A 5 -8.808 -2.859 -4.253 1.00 62.04 H new ATOM 0 HG13 VAL A 5 -7.293 -3.028 -5.171 1.00 62.04 H new ATOM 0 HG21 VAL A 5 -8.558 -2.455 -7.927 1.00 22.42 H new ATOM 0 HG22 VAL A 5 -7.423 -3.792 -7.624 1.00 22.42 H new ATOM 0 HG23 VAL A 5 -9.025 -4.126 -8.324 1.00 22.42 H new ATOM 94 N LYS A 6 -10.887 -6.519 -6.201 1.00 65.44 N ATOM 95 CA LYS A 6 -11.772 -7.367 -6.991 1.00 40.12 C ATOM 96 C LYS A 6 -13.206 -6.850 -6.942 1.00 34.53 C ATOM 97 O LYS A 6 -13.782 -6.688 -5.865 1.00 54.14 O ATOM 98 CB LYS A 6 -11.720 -8.809 -6.481 1.00 40.14 C ATOM 99 CG LYS A 6 -11.995 -8.938 -4.993 1.00 74.33 C ATOM 100 CD LYS A 6 -10.995 -9.863 -4.319 1.00 52.34 C ATOM 101 CE LYS A 6 -11.474 -10.292 -2.941 1.00 71.11 C ATOM 102 NZ LYS A 6 -11.353 -11.763 -2.745 1.00 62.43 N ATOM 0 H LYS A 6 -11.201 -6.359 -5.244 1.00 65.44 H new ATOM 0 HA LYS A 6 -11.430 -7.342 -8.026 1.00 40.12 H new ATOM 0 HB2 LYS A 6 -12.448 -9.406 -7.030 1.00 40.14 H new ATOM 0 HB3 LYS A 6 -10.737 -9.227 -6.698 1.00 40.14 H new ATOM 0 HG2 LYS A 6 -11.952 -7.953 -4.528 1.00 74.33 H new ATOM 0 HG3 LYS A 6 -13.005 -9.319 -4.840 1.00 74.33 H new ATOM 0 HD2 LYS A 6 -10.836 -10.744 -4.941 1.00 52.34 H new ATOM 0 HD3 LYS A 6 -10.033 -9.358 -4.230 1.00 52.34 H new ATOM 0 HE2 LYS A 6 -10.893 -9.775 -2.177 1.00 71.11 H new ATOM 0 HE3 LYS A 6 -12.514 -9.992 -2.808 1.00 71.11 H new ATOM 0 HZ1 LYS A 6 -11.187 -11.967 -1.739 1.00 62.43 H new ATOM 0 HZ2 LYS A 6 -12.231 -12.228 -3.052 1.00 62.43 H new ATOM 0 HZ3 LYS A 6 -10.556 -12.124 -3.307 1.00 62.43 H new ATOM 116 N THR A 7 -13.779 -6.595 -8.114 1.00 35.12 N ATOM 117 CA THR A 7 -15.146 -6.098 -8.204 1.00 54.40 C ATOM 118 C THR A 7 -16.150 -7.245 -8.205 1.00 11.02 C ATOM 119 O THR A 7 -15.777 -8.410 -8.343 1.00 44.23 O ATOM 120 CB THR A 7 -15.353 -5.249 -9.473 1.00 21.12 C ATOM 121 OG1 THR A 7 -14.094 -5.005 -10.109 1.00 64.03 O ATOM 122 CG2 THR A 7 -16.021 -3.925 -9.135 1.00 53.14 C ATOM 0 H THR A 7 -13.317 -6.725 -9.014 1.00 35.12 H new ATOM 0 HA THR A 7 -15.313 -5.474 -7.326 1.00 54.40 H new ATOM 0 HB THR A 7 -16.002 -5.802 -10.152 1.00 21.12 H new ATOM 0 HG1 THR A 7 -14.234 -4.466 -10.916 1.00 64.03 H new ATOM 0 HG21 THR A 7 -16.157 -3.343 -10.046 1.00 53.14 H new ATOM 0 HG22 THR A 7 -16.992 -4.114 -8.677 1.00 53.14 H new ATOM 0 HG23 THR A 7 -15.394 -3.368 -8.439 1.00 53.14 H new ATOM 130 N VAL A 8 -17.427 -6.909 -8.050 1.00 3.50 N ATOM 131 CA VAL A 8 -18.485 -7.911 -8.035 1.00 32.12 C ATOM 132 C VAL A 8 -18.611 -8.598 -9.390 1.00 0.00 C ATOM 133 O VAL A 8 -19.280 -9.623 -9.518 1.00 70.30 O ATOM 134 CB VAL A 8 -19.843 -7.288 -7.659 1.00 61.32 C ATOM 135 CG1 VAL A 8 -20.315 -6.339 -8.750 1.00 1.34 C ATOM 136 CG2 VAL A 8 -20.875 -8.376 -7.404 1.00 73.14 C ATOM 0 H VAL A 8 -17.753 -5.950 -7.933 1.00 3.50 H new ATOM 0 HA VAL A 8 -18.211 -8.649 -7.281 1.00 32.12 H new ATOM 0 HB VAL A 8 -19.719 -6.714 -6.741 1.00 61.32 H new ATOM 0 HG11 VAL A 8 -21.276 -5.908 -8.467 1.00 1.34 H new ATOM 0 HG12 VAL A 8 -19.584 -5.541 -8.880 1.00 1.34 H new ATOM 0 HG13 VAL A 8 -20.424 -6.886 -9.686 1.00 1.34 H new ATOM 0 HG21 VAL A 8 -21.828 -7.918 -7.140 1.00 73.14 H new ATOM 0 HG22 VAL A 8 -20.999 -8.978 -8.304 1.00 73.14 H new ATOM 0 HG23 VAL A 8 -20.538 -9.012 -6.585 1.00 73.14 H new ATOM 146 N SER A 9 -17.963 -8.026 -10.400 1.00 23.14 N ATOM 147 CA SER A 9 -18.004 -8.581 -11.747 1.00 74.33 C ATOM 148 C SER A 9 -16.889 -9.602 -11.949 1.00 21.41 C ATOM 149 O SER A 9 -16.603 -10.011 -13.073 1.00 64.14 O ATOM 150 CB SER A 9 -17.883 -7.465 -12.786 1.00 2.52 C ATOM 151 OG SER A 9 -19.160 -7.042 -13.232 1.00 63.24 O ATOM 0 H SER A 9 -17.403 -7.178 -10.310 1.00 23.14 H new ATOM 0 HA SER A 9 -18.962 -9.085 -11.876 1.00 74.33 H new ATOM 0 HB2 SER A 9 -17.346 -6.620 -12.355 1.00 2.52 H new ATOM 0 HB3 SER A 9 -17.296 -7.816 -13.635 1.00 2.52 H new ATOM 0 HG SER A 9 -19.055 -6.327 -13.894 1.00 63.24 H new ATOM 157 N ASN A 10 -16.263 -10.010 -10.850 1.00 5.12 N ATOM 158 CA ASN A 10 -15.177 -10.983 -10.905 1.00 15.14 C ATOM 159 C ASN A 10 -13.951 -10.391 -11.592 1.00 63.43 C ATOM 160 O ASN A 10 -13.223 -11.090 -12.298 1.00 31.40 O ATOM 161 CB ASN A 10 -15.632 -12.243 -11.643 1.00 62.51 C ATOM 162 CG ASN A 10 -15.276 -13.513 -10.894 1.00 4.35 C ATOM 163 OD1 ASN A 10 -15.421 -13.588 -9.673 1.00 52.14 O ATOM 164 ND2 ASN A 10 -14.805 -14.518 -11.623 1.00 34.13 N ATOM 0 H ASN A 10 -16.489 -9.682 -9.911 1.00 5.12 H new ATOM 0 HA ASN A 10 -14.906 -11.247 -9.883 1.00 15.14 H new ATOM 0 HB2 ASN A 10 -16.711 -12.203 -11.793 1.00 62.51 H new ATOM 0 HB3 ASN A 10 -15.174 -12.267 -12.632 1.00 62.51 H new ATOM 0 HD21 ASN A 10 -14.547 -15.397 -11.174 1.00 34.13 H new ATOM 0 HD22 ASN A 10 -14.702 -14.411 -12.632 1.00 34.13 H new ATOM 171 N LYS A 11 -13.727 -9.099 -11.381 1.00 44.12 N ATOM 172 CA LYS A 11 -12.587 -8.412 -11.978 1.00 54.11 C ATOM 173 C LYS A 11 -11.521 -8.113 -10.929 1.00 32.41 C ATOM 174 O LYS A 11 -11.540 -7.060 -10.292 1.00 53.12 O ATOM 175 CB LYS A 11 -13.042 -7.111 -12.643 1.00 43.24 C ATOM 176 CG LYS A 11 -13.828 -7.325 -13.925 1.00 72.40 C ATOM 177 CD LYS A 11 -14.049 -6.019 -14.669 1.00 63.13 C ATOM 178 CE LYS A 11 -15.519 -5.630 -14.688 1.00 42.33 C ATOM 179 NZ LYS A 11 -15.821 -4.658 -15.775 1.00 53.13 N ATOM 0 H LYS A 11 -14.320 -8.506 -10.801 1.00 44.12 H new ATOM 0 HA LYS A 11 -12.154 -9.068 -12.733 1.00 54.11 H new ATOM 0 HB2 LYS A 11 -13.656 -6.549 -11.940 1.00 43.24 H new ATOM 0 HB3 LYS A 11 -12.167 -6.499 -12.861 1.00 43.24 H new ATOM 0 HG2 LYS A 11 -13.294 -8.025 -14.568 1.00 72.40 H new ATOM 0 HG3 LYS A 11 -14.791 -7.779 -13.691 1.00 72.40 H new ATOM 0 HD2 LYS A 11 -13.468 -5.227 -14.196 1.00 63.13 H new ATOM 0 HD3 LYS A 11 -13.684 -6.115 -15.691 1.00 63.13 H new ATOM 0 HE2 LYS A 11 -16.129 -6.523 -14.820 1.00 42.33 H new ATOM 0 HE3 LYS A 11 -15.792 -5.196 -13.726 1.00 42.33 H new ATOM 0 HZ1 LYS A 11 -16.833 -4.418 -15.755 1.00 53.13 H new ATOM 0 HZ2 LYS A 11 -15.257 -3.795 -15.636 1.00 53.13 H new ATOM 0 HZ3 LYS A 11 -15.584 -5.081 -16.695 1.00 53.13 H new ATOM 193 N VAL A 12 -10.591 -9.047 -10.755 1.00 11.04 N ATOM 194 CA VAL A 12 -9.515 -8.882 -9.784 1.00 72.45 C ATOM 195 C VAL A 12 -8.275 -8.281 -10.436 1.00 61.31 C ATOM 196 O VAL A 12 -7.856 -8.711 -11.512 1.00 15.15 O ATOM 197 CB VAL A 12 -9.139 -10.225 -9.131 1.00 25.31 C ATOM 198 CG1 VAL A 12 -8.123 -10.012 -8.018 1.00 55.24 C ATOM 199 CG2 VAL A 12 -10.381 -10.927 -8.603 1.00 64.41 C ATOM 0 H VAL A 12 -10.561 -9.925 -11.273 1.00 11.04 H new ATOM 0 HA VAL A 12 -9.883 -8.203 -9.015 1.00 72.45 H new ATOM 0 HB VAL A 12 -8.684 -10.863 -9.889 1.00 25.31 H new ATOM 0 HG11 VAL A 12 -7.869 -10.972 -7.568 1.00 55.24 H new ATOM 0 HG12 VAL A 12 -7.223 -9.555 -8.429 1.00 55.24 H new ATOM 0 HG13 VAL A 12 -8.548 -9.356 -7.258 1.00 55.24 H new ATOM 0 HG21 VAL A 12 -10.096 -11.874 -8.145 1.00 64.41 H new ATOM 0 HG22 VAL A 12 -10.867 -10.296 -7.859 1.00 64.41 H new ATOM 0 HG23 VAL A 12 -11.071 -11.115 -9.426 1.00 64.41 H new ATOM 209 N ILE A 13 -7.691 -7.286 -9.778 1.00 11.24 N ATOM 210 CA ILE A 13 -6.497 -6.627 -10.292 1.00 52.43 C ATOM 211 C ILE A 13 -5.459 -6.433 -9.192 1.00 62.04 C ATOM 212 O ILE A 13 -5.710 -5.745 -8.204 1.00 5.53 O ATOM 213 CB ILE A 13 -6.833 -5.258 -10.912 1.00 51.54 C ATOM 214 CG1 ILE A 13 -7.927 -5.408 -11.972 1.00 45.41 C ATOM 215 CG2 ILE A 13 -5.586 -4.629 -11.516 1.00 21.03 C ATOM 216 CD1 ILE A 13 -7.525 -6.289 -13.134 1.00 31.32 C ATOM 0 H ILE A 13 -8.025 -6.918 -8.887 1.00 11.24 H new ATOM 0 HA ILE A 13 -6.086 -7.276 -11.065 1.00 52.43 H new ATOM 0 HB ILE A 13 -7.203 -4.601 -10.125 1.00 51.54 H new ATOM 0 HG12 ILE A 13 -8.820 -5.822 -11.505 1.00 45.41 H new ATOM 0 HG13 ILE A 13 -8.193 -4.421 -12.350 1.00 45.41 H new ATOM 0 HG21 ILE A 13 -5.840 -3.662 -11.950 1.00 21.03 H new ATOM 0 HG22 ILE A 13 -4.835 -4.492 -10.738 1.00 21.03 H new ATOM 0 HG23 ILE A 13 -5.189 -5.282 -12.293 1.00 21.03 H new ATOM 0 HD11 ILE A 13 -8.348 -6.350 -13.846 1.00 31.32 H new ATOM 0 HD12 ILE A 13 -6.650 -5.865 -13.627 1.00 31.32 H new ATOM 0 HD13 ILE A 13 -7.287 -7.288 -12.768 1.00 31.32 H new ATOM 228 N GLN A 14 -4.292 -7.044 -9.373 1.00 53.34 N ATOM 229 CA GLN A 14 -3.215 -6.937 -8.396 1.00 72.24 C ATOM 230 C GLN A 14 -2.146 -5.958 -8.869 1.00 52.43 C ATOM 231 O GLN A 14 -1.454 -6.208 -9.856 1.00 62.52 O ATOM 232 CB GLN A 14 -2.590 -8.310 -8.144 1.00 22.13 C ATOM 233 CG GLN A 14 -2.151 -9.022 -9.413 1.00 50.23 C ATOM 234 CD GLN A 14 -0.702 -9.465 -9.363 1.00 32.11 C ATOM 235 OE1 GLN A 14 0.213 -8.644 -9.430 1.00 70.15 O ATOM 236 NE2 GLN A 14 -0.486 -10.770 -9.243 1.00 41.24 N ATOM 0 H GLN A 14 -4.069 -7.618 -10.186 1.00 53.34 H new ATOM 0 HA GLN A 14 -3.639 -6.561 -7.465 1.00 72.24 H new ATOM 0 HB2 GLN A 14 -1.728 -8.192 -7.487 1.00 22.13 H new ATOM 0 HB3 GLN A 14 -3.310 -8.936 -7.617 1.00 22.13 H new ATOM 0 HG2 GLN A 14 -2.787 -9.892 -9.575 1.00 50.23 H new ATOM 0 HG3 GLN A 14 -2.295 -8.358 -10.266 1.00 50.23 H new ATOM 0 HE21 GLN A 14 -1.275 -11.415 -9.191 1.00 41.24 H new ATOM 0 HE22 GLN A 14 0.469 -11.127 -9.203 1.00 41.24 H new ATOM 245 N ILE A 15 -2.018 -4.842 -8.159 1.00 43.35 N ATOM 246 CA ILE A 15 -1.032 -3.825 -8.507 1.00 35.23 C ATOM 247 C ILE A 15 -0.059 -3.588 -7.358 1.00 25.35 C ATOM 248 O ILE A 15 -0.394 -3.795 -6.191 1.00 34.41 O ATOM 249 CB ILE A 15 -1.707 -2.491 -8.877 1.00 3.13 C ATOM 250 CG1 ILE A 15 -2.565 -1.989 -7.714 1.00 12.40 C ATOM 251 CG2 ILE A 15 -2.549 -2.654 -10.133 1.00 15.32 C ATOM 252 CD1 ILE A 15 -3.980 -2.524 -7.732 1.00 23.32 C ATOM 0 H ILE A 15 -2.584 -4.619 -7.340 1.00 43.35 H new ATOM 0 HA ILE A 15 -0.484 -4.198 -9.372 1.00 35.23 H new ATOM 0 HB ILE A 15 -0.932 -1.751 -9.077 1.00 3.13 H new ATOM 0 HG12 ILE A 15 -2.090 -2.272 -6.774 1.00 12.40 H new ATOM 0 HG13 ILE A 15 -2.597 -0.900 -7.740 1.00 12.40 H new ATOM 0 HG21 ILE A 15 -3.020 -1.703 -10.382 1.00 15.32 H new ATOM 0 HG22 ILE A 15 -1.912 -2.971 -10.959 1.00 15.32 H new ATOM 0 HG23 ILE A 15 -3.319 -3.405 -9.960 1.00 15.32 H new ATOM 0 HD11 ILE A 15 -4.530 -2.127 -6.879 1.00 23.32 H new ATOM 0 HD12 ILE A 15 -4.473 -2.219 -8.655 1.00 23.32 H new ATOM 0 HD13 ILE A 15 -3.958 -3.612 -7.675 1.00 23.32 H new ATOM 264 N THR A 16 1.151 -3.151 -7.695 1.00 11.25 N ATOM 265 CA THR A 16 2.174 -2.885 -6.692 1.00 2.44 C ATOM 266 C THR A 16 2.636 -1.433 -6.749 1.00 14.22 C ATOM 267 O THR A 16 3.792 -1.151 -7.064 1.00 13.03 O ATOM 268 CB THR A 16 3.394 -3.807 -6.875 1.00 42.22 C ATOM 269 OG1 THR A 16 4.443 -3.415 -5.983 1.00 3.02 O ATOM 270 CG2 THR A 16 3.898 -3.759 -8.310 1.00 13.21 C ATOM 0 H THR A 16 1.446 -2.974 -8.655 1.00 11.25 H new ATOM 0 HA THR A 16 1.722 -3.082 -5.720 1.00 2.44 H new ATOM 0 HB THR A 16 3.087 -4.828 -6.648 1.00 42.22 H new ATOM 0 HG1 THR A 16 4.785 -2.535 -6.246 1.00 3.02 H new ATOM 0 HG21 THR A 16 4.760 -4.418 -8.415 1.00 13.21 H new ATOM 0 HG22 THR A 16 3.107 -4.086 -8.985 1.00 13.21 H new ATOM 0 HG23 THR A 16 4.189 -2.739 -8.560 1.00 13.21 H new ATOM 278 N SER A 17 1.725 -0.515 -6.442 1.00 12.32 N ATOM 279 CA SER A 17 2.038 0.909 -6.461 1.00 42.35 C ATOM 280 C SER A 17 0.896 1.725 -5.865 1.00 14.35 C ATOM 281 O SER A 17 0.018 2.206 -6.583 1.00 62.55 O ATOM 282 CB SER A 17 2.317 1.372 -7.893 1.00 11.12 C ATOM 283 OG SER A 17 2.106 2.767 -8.028 1.00 74.32 O ATOM 0 H SER A 17 0.764 -0.732 -6.177 1.00 12.32 H new ATOM 0 HA SER A 17 2.930 1.068 -5.854 1.00 42.35 H new ATOM 0 HB2 SER A 17 3.344 1.129 -8.164 1.00 11.12 H new ATOM 0 HB3 SER A 17 1.669 0.834 -8.585 1.00 11.12 H new ATOM 0 HG SER A 17 1.156 2.969 -7.895 1.00 74.32 H new ATOM 289 N LEU A 18 0.913 1.878 -4.545 1.00 53.01 N ATOM 290 CA LEU A 18 -0.121 2.636 -3.849 1.00 74.11 C ATOM 291 C LEU A 18 0.416 3.983 -3.377 1.00 13.14 C ATOM 292 O LEU A 18 1.611 4.133 -3.123 1.00 4.21 O ATOM 293 CB LEU A 18 -0.650 1.838 -2.656 1.00 13.10 C ATOM 294 CG LEU A 18 -1.865 0.950 -2.928 1.00 22.32 C ATOM 295 CD1 LEU A 18 -2.246 0.170 -1.679 1.00 62.42 C ATOM 296 CD2 LEU A 18 -3.039 1.786 -3.415 1.00 41.22 C ATOM 0 H LEU A 18 1.631 1.487 -3.935 1.00 53.01 H new ATOM 0 HA LEU A 18 -0.938 2.816 -4.548 1.00 74.11 H new ATOM 0 HB2 LEU A 18 0.157 1.210 -2.278 1.00 13.10 H new ATOM 0 HB3 LEU A 18 -0.907 2.538 -1.861 1.00 13.10 H new ATOM 0 HG LEU A 18 -1.602 0.238 -3.711 1.00 22.32 H new ATOM 0 HD11 LEU A 18 -3.112 -0.456 -1.891 1.00 62.42 H new ATOM 0 HD12 LEU A 18 -1.410 -0.459 -1.374 1.00 62.42 H new ATOM 0 HD13 LEU A 18 -2.489 0.866 -0.876 1.00 62.42 H new ATOM 0 HD21 LEU A 18 -3.894 1.137 -3.603 1.00 41.22 H new ATOM 0 HD22 LEU A 18 -3.302 2.522 -2.655 1.00 41.22 H new ATOM 0 HD23 LEU A 18 -2.763 2.299 -4.336 1.00 41.22 H new ATOM 308 N THR A 19 -0.476 4.962 -3.258 1.00 75.32 N ATOM 309 CA THR A 19 -0.093 6.296 -2.815 1.00 40.12 C ATOM 310 C THR A 19 -0.143 6.406 -1.296 1.00 2.34 C ATOM 311 O THR A 19 -0.516 5.457 -0.607 1.00 24.53 O ATOM 312 CB THR A 19 -1.006 7.375 -3.427 1.00 51.20 C ATOM 313 OG1 THR A 19 -1.671 6.856 -4.584 1.00 44.03 O ATOM 314 CG2 THR A 19 -0.204 8.610 -3.808 1.00 0.41 C ATOM 0 H THR A 19 -1.470 4.855 -3.463 1.00 75.32 H new ATOM 0 HA THR A 19 0.929 6.460 -3.155 1.00 40.12 H new ATOM 0 HB THR A 19 -1.747 7.659 -2.680 1.00 51.20 H new ATOM 0 HG1 THR A 19 -2.059 7.595 -5.097 1.00 44.03 H new ATOM 0 HG21 THR A 19 -0.870 9.358 -4.238 1.00 0.41 H new ATOM 0 HG22 THR A 19 0.277 9.020 -2.920 1.00 0.41 H new ATOM 0 HG23 THR A 19 0.557 8.338 -4.540 1.00 0.41 H new ATOM 322 N ASP A 20 0.234 7.571 -0.779 1.00 63.40 N ATOM 323 CA ASP A 20 0.231 7.806 0.660 1.00 32.43 C ATOM 324 C ASP A 20 -0.623 9.021 1.010 1.00 24.44 C ATOM 325 O ASP A 20 -0.777 9.366 2.182 1.00 50.31 O ATOM 326 CB ASP A 20 1.659 8.006 1.169 1.00 0.13 C ATOM 327 CG ASP A 20 2.668 7.170 0.407 1.00 21.33 C ATOM 328 OD1 ASP A 20 2.339 6.017 0.057 1.00 1.31 O ATOM 329 OD2 ASP A 20 3.787 7.667 0.162 1.00 41.32 O ATOM 0 H ASP A 20 0.545 8.367 -1.335 1.00 63.40 H new ATOM 0 HA ASP A 20 -0.199 6.930 1.146 1.00 32.43 H new ATOM 0 HB2 ASP A 20 1.927 9.059 1.085 1.00 0.13 H new ATOM 0 HB3 ASP A 20 1.704 7.749 2.227 1.00 0.13 H new ATOM 334 N ASP A 21 -1.173 9.665 -0.012 1.00 74.25 N ATOM 335 CA ASP A 21 -2.011 10.842 0.187 1.00 72.41 C ATOM 336 C ASP A 21 -3.489 10.461 0.198 1.00 45.32 C ATOM 337 O ASP A 21 -4.227 10.829 1.110 1.00 55.52 O ATOM 338 CB ASP A 21 -1.746 11.875 -0.909 1.00 62.44 C ATOM 339 CG ASP A 21 -1.137 13.152 -0.366 1.00 4.01 C ATOM 340 OD1 ASP A 21 -1.657 13.677 0.641 1.00 73.40 O ATOM 341 OD2 ASP A 21 -0.138 13.627 -0.947 1.00 35.22 O ATOM 0 H ASP A 21 -1.054 9.392 -0.988 1.00 74.25 H new ATOM 0 HA ASP A 21 -1.759 11.278 1.154 1.00 72.41 H new ATOM 0 HB2 ASP A 21 -1.077 11.446 -1.655 1.00 62.44 H new ATOM 0 HB3 ASP A 21 -2.681 12.109 -1.417 1.00 62.44 H new ATOM 346 N ASN A 22 -3.912 9.723 -0.823 1.00 42.01 N ATOM 347 CA ASN A 22 -5.302 9.294 -0.932 1.00 4.22 C ATOM 348 C ASN A 22 -5.407 7.773 -0.879 1.00 13.22 C ATOM 349 O ASN A 22 -6.279 7.223 -0.205 1.00 61.21 O ATOM 350 CB ASN A 22 -5.917 9.814 -2.232 1.00 53.43 C ATOM 351 CG ASN A 22 -6.315 11.275 -2.140 1.00 45.12 C ATOM 352 OD1 ASN A 22 -5.913 12.093 -2.968 1.00 63.43 O ATOM 353 ND2 ASN A 22 -7.108 11.610 -1.129 1.00 63.30 N ATOM 0 H ASN A 22 -3.313 9.410 -1.587 1.00 42.01 H new ATOM 0 HA ASN A 22 -5.852 9.708 -0.087 1.00 4.22 H new ATOM 0 HB2 ASN A 22 -5.203 9.685 -3.045 1.00 53.43 H new ATOM 0 HB3 ASN A 22 -6.794 9.216 -2.480 1.00 53.43 H new ATOM 0 HD21 ASN A 22 -7.408 12.578 -1.015 1.00 63.30 H new ATOM 0 HD22 ASN A 22 -7.417 10.899 -0.466 1.00 63.30 H new ATOM 360 N THR A 23 -4.513 7.098 -1.594 1.00 23.21 N ATOM 361 CA THR A 23 -4.505 5.641 -1.629 1.00 70.14 C ATOM 362 C THR A 23 -5.813 5.098 -2.193 1.00 32.44 C ATOM 363 O THR A 23 -5.899 4.763 -3.374 1.00 73.24 O ATOM 364 CB THR A 23 -4.277 5.046 -0.227 1.00 2.11 C ATOM 365 OG1 THR A 23 -2.972 5.396 0.247 1.00 24.30 O ATOM 366 CG2 THR A 23 -4.425 3.532 -0.251 1.00 4.24 C ATOM 0 H THR A 23 -3.785 7.537 -2.157 1.00 23.21 H new ATOM 0 HA THR A 23 -3.681 5.345 -2.279 1.00 70.14 H new ATOM 0 HB THR A 23 -5.030 5.458 0.445 1.00 2.11 H new ATOM 0 HG1 THR A 23 -2.980 5.437 1.226 1.00 24.30 H new ATOM 0 HG21 THR A 23 -4.260 3.134 0.750 1.00 4.24 H new ATOM 0 HG22 THR A 23 -5.429 3.270 -0.584 1.00 4.24 H new ATOM 0 HG23 THR A 23 -3.692 3.106 -0.936 1.00 4.24 H new ATOM 374 N ILE A 24 -6.829 5.013 -1.340 1.00 51.44 N ATOM 375 CA ILE A 24 -8.134 4.512 -1.755 1.00 4.33 C ATOM 376 C ILE A 24 -8.869 5.537 -2.612 1.00 61.44 C ATOM 377 O ILE A 24 -9.400 5.207 -3.672 1.00 73.22 O ATOM 378 CB ILE A 24 -9.010 4.152 -0.541 1.00 10.34 C ATOM 379 CG1 ILE A 24 -8.243 3.236 0.416 1.00 54.24 C ATOM 380 CG2 ILE A 24 -10.301 3.489 -0.997 1.00 41.12 C ATOM 381 CD1 ILE A 24 -7.595 3.972 1.567 1.00 24.11 C ATOM 0 H ILE A 24 -6.774 5.284 -0.358 1.00 51.44 H new ATOM 0 HA ILE A 24 -7.954 3.612 -2.343 1.00 4.33 H new ATOM 0 HB ILE A 24 -9.264 5.070 -0.010 1.00 10.34 H new ATOM 0 HG12 ILE A 24 -8.926 2.486 0.814 1.00 54.24 H new ATOM 0 HG13 ILE A 24 -7.474 2.703 -0.143 1.00 54.24 H new ATOM 0 HG21 ILE A 24 -10.909 3.241 -0.127 1.00 41.12 H new ATOM 0 HG22 ILE A 24 -10.853 4.172 -1.642 1.00 41.12 H new ATOM 0 HG23 ILE A 24 -10.067 2.578 -1.548 1.00 41.12 H new ATOM 0 HD11 ILE A 24 -7.069 3.261 2.204 1.00 24.11 H new ATOM 0 HD12 ILE A 24 -6.887 4.704 1.178 1.00 24.11 H new ATOM 0 HD13 ILE A 24 -8.361 4.483 2.150 1.00 24.11 H new ATOM 393 N ALA A 25 -8.894 6.781 -2.147 1.00 45.22 N ATOM 394 CA ALA A 25 -9.560 7.855 -2.873 1.00 40.13 C ATOM 395 C ALA A 25 -8.974 8.018 -4.272 1.00 11.33 C ATOM 396 O ALA A 25 -9.700 8.272 -5.232 1.00 61.13 O ATOM 397 CB ALA A 25 -9.454 9.161 -2.099 1.00 73.40 C ATOM 0 H ALA A 25 -8.460 7.070 -1.270 1.00 45.22 H new ATOM 0 HA ALA A 25 -10.613 7.591 -2.977 1.00 40.13 H new ATOM 0 HB1 ALA A 25 -9.956 9.954 -2.653 1.00 73.40 H new ATOM 0 HB2 ALA A 25 -9.926 9.045 -1.123 1.00 73.40 H new ATOM 0 HB3 ALA A 25 -8.404 9.420 -1.965 1.00 73.40 H new ATOM 403 N GLU A 26 -7.657 7.872 -4.377 1.00 60.24 N ATOM 404 CA GLU A 26 -6.975 8.005 -5.659 1.00 63.12 C ATOM 405 C GLU A 26 -7.332 6.848 -6.588 1.00 40.34 C ATOM 406 O GLU A 26 -7.529 7.040 -7.789 1.00 62.32 O ATOM 407 CB GLU A 26 -5.460 8.058 -5.453 1.00 5.15 C ATOM 408 CG GLU A 26 -4.670 8.107 -6.750 1.00 3.14 C ATOM 409 CD GLU A 26 -3.769 9.323 -6.838 1.00 44.43 C ATOM 410 OE1 GLU A 26 -2.811 9.412 -6.042 1.00 41.41 O ATOM 411 OE2 GLU A 26 -4.022 10.186 -7.705 1.00 4.50 O ATOM 0 H GLU A 26 -7.042 7.662 -3.591 1.00 60.24 H new ATOM 0 HA GLU A 26 -7.305 8.935 -6.122 1.00 63.12 H new ATOM 0 HB2 GLU A 26 -5.214 8.935 -4.854 1.00 5.15 H new ATOM 0 HB3 GLU A 26 -5.149 7.184 -4.881 1.00 5.15 H new ATOM 0 HG2 GLU A 26 -4.065 7.204 -6.837 1.00 3.14 H new ATOM 0 HG3 GLU A 26 -5.362 8.110 -7.593 1.00 3.14 H new ATOM 418 N LEU A 27 -7.413 5.648 -6.025 1.00 15.21 N ATOM 419 CA LEU A 27 -7.747 4.459 -6.802 1.00 5.12 C ATOM 420 C LEU A 27 -9.178 4.532 -7.322 1.00 53.34 C ATOM 421 O LEU A 27 -9.432 4.313 -8.507 1.00 42.42 O ATOM 422 CB LEU A 27 -7.565 3.202 -5.950 1.00 32.24 C ATOM 423 CG LEU A 27 -6.508 2.209 -6.434 1.00 44.42 C ATOM 424 CD1 LEU A 27 -6.476 0.982 -5.537 1.00 35.02 C ATOM 425 CD2 LEU A 27 -6.773 1.810 -7.878 1.00 70.13 C ATOM 0 H LEU A 27 -7.252 5.472 -5.033 1.00 15.21 H new ATOM 0 HA LEU A 27 -7.072 4.412 -7.657 1.00 5.12 H new ATOM 0 HB2 LEU A 27 -7.309 3.509 -4.936 1.00 32.24 H new ATOM 0 HB3 LEU A 27 -8.522 2.684 -5.894 1.00 32.24 H new ATOM 0 HG LEU A 27 -5.533 2.694 -6.385 1.00 44.42 H new ATOM 0 HD11 LEU A 27 -5.718 0.287 -5.898 1.00 35.02 H new ATOM 0 HD12 LEU A 27 -6.237 1.283 -4.517 1.00 35.02 H new ATOM 0 HD13 LEU A 27 -7.451 0.495 -5.552 1.00 35.02 H new ATOM 0 HD21 LEU A 27 -6.011 1.103 -8.206 1.00 70.13 H new ATOM 0 HD22 LEU A 27 -7.756 1.345 -7.952 1.00 70.13 H new ATOM 0 HD23 LEU A 27 -6.742 2.696 -8.512 1.00 70.13 H new ATOM 437 N LYS A 28 -10.112 4.843 -6.430 1.00 2.54 N ATOM 438 CA LYS A 28 -11.519 4.950 -6.798 1.00 64.40 C ATOM 439 C LYS A 28 -11.742 6.110 -7.763 1.00 33.31 C ATOM 440 O LYS A 28 -12.525 6.003 -8.706 1.00 43.03 O ATOM 441 CB LYS A 28 -12.382 5.138 -5.548 1.00 44.13 C ATOM 442 CG LYS A 28 -12.112 6.440 -4.814 1.00 54.20 C ATOM 443 CD LYS A 28 -12.901 6.523 -3.518 1.00 23.43 C ATOM 444 CE LYS A 28 -14.398 6.579 -3.779 1.00 11.34 C ATOM 445 NZ LYS A 28 -15.155 7.016 -2.573 1.00 11.21 N ATOM 0 H LYS A 28 -9.920 5.026 -5.445 1.00 2.54 H new ATOM 0 HA LYS A 28 -11.810 4.025 -7.296 1.00 64.40 H new ATOM 0 HB2 LYS A 28 -13.433 5.103 -5.834 1.00 44.13 H new ATOM 0 HB3 LYS A 28 -12.208 4.304 -4.868 1.00 44.13 H new ATOM 0 HG2 LYS A 28 -11.047 6.523 -4.599 1.00 54.20 H new ATOM 0 HG3 LYS A 28 -12.374 7.281 -5.455 1.00 54.20 H new ATOM 0 HD2 LYS A 28 -12.671 5.658 -2.895 1.00 23.43 H new ATOM 0 HD3 LYS A 28 -12.595 7.408 -2.960 1.00 23.43 H new ATOM 0 HE2 LYS A 28 -14.598 7.265 -4.602 1.00 11.34 H new ATOM 0 HE3 LYS A 28 -14.749 5.596 -4.092 1.00 11.34 H new ATOM 0 HZ1 LYS A 28 -15.644 6.199 -2.155 1.00 11.21 H new ATOM 0 HZ2 LYS A 28 -14.496 7.418 -1.876 1.00 11.21 H new ATOM 0 HZ3 LYS A 28 -15.854 7.737 -2.844 1.00 11.21 H new ATOM 459 N GLY A 29 -11.048 7.218 -7.520 1.00 74.34 N ATOM 460 CA GLY A 29 -11.185 8.381 -8.377 1.00 63.25 C ATOM 461 C GLY A 29 -10.632 8.144 -9.769 1.00 31.31 C ATOM 462 O GLY A 29 -11.151 8.676 -10.751 1.00 22.05 O ATOM 0 H GLY A 29 -10.394 7.331 -6.746 1.00 74.34 H new ATOM 0 HA2 GLY A 29 -12.238 8.653 -8.449 1.00 63.25 H new ATOM 0 HA3 GLY A 29 -10.668 9.226 -7.923 1.00 63.25 H new ATOM 466 N LYS A 30 -9.575 7.344 -9.855 1.00 62.44 N ATOM 467 CA LYS A 30 -8.950 7.037 -11.136 1.00 62.45 C ATOM 468 C LYS A 30 -9.831 6.105 -11.963 1.00 13.43 C ATOM 469 O LYS A 30 -9.894 6.218 -13.188 1.00 25.42 O ATOM 470 CB LYS A 30 -7.578 6.396 -10.917 1.00 65.22 C ATOM 471 CG LYS A 30 -6.448 7.404 -10.798 1.00 24.31 C ATOM 472 CD LYS A 30 -5.631 7.480 -12.077 1.00 54.43 C ATOM 473 CE LYS A 30 -4.831 8.772 -12.151 1.00 62.42 C ATOM 474 NZ LYS A 30 -4.800 9.327 -13.533 1.00 32.14 N ATOM 0 H LYS A 30 -9.133 6.896 -9.052 1.00 62.44 H new ATOM 0 HA LYS A 30 -8.825 7.971 -11.683 1.00 62.45 H new ATOM 0 HB2 LYS A 30 -7.610 5.790 -10.012 1.00 65.22 H new ATOM 0 HB3 LYS A 30 -7.365 5.720 -11.746 1.00 65.22 H new ATOM 0 HG2 LYS A 30 -6.859 8.387 -10.569 1.00 24.31 H new ATOM 0 HG3 LYS A 30 -5.799 7.128 -9.967 1.00 24.31 H new ATOM 0 HD2 LYS A 30 -4.953 6.628 -12.128 1.00 54.43 H new ATOM 0 HD3 LYS A 30 -6.295 7.412 -12.939 1.00 54.43 H new ATOM 0 HE2 LYS A 30 -5.266 9.507 -11.474 1.00 62.42 H new ATOM 0 HE3 LYS A 30 -3.812 8.588 -11.811 1.00 62.42 H new ATOM 0 HZ1 LYS A 30 -4.246 10.207 -13.541 1.00 32.14 H new ATOM 0 HZ2 LYS A 30 -4.362 8.636 -14.175 1.00 32.14 H new ATOM 0 HZ3 LYS A 30 -5.771 9.527 -13.849 1.00 32.14 H new ATOM 488 N LEU A 31 -10.512 5.188 -11.285 1.00 73.34 N ATOM 489 CA LEU A 31 -11.392 4.238 -11.957 1.00 73.40 C ATOM 490 C LEU A 31 -12.621 4.941 -12.524 1.00 72.33 C ATOM 491 O LEU A 31 -13.034 4.675 -13.653 1.00 20.14 O ATOM 492 CB LEU A 31 -11.823 3.137 -10.986 1.00 31.00 C ATOM 493 CG LEU A 31 -12.232 1.806 -11.618 1.00 43.13 C ATOM 494 CD1 LEU A 31 -12.195 0.691 -10.585 1.00 74.21 C ATOM 495 CD2 LEU A 31 -13.616 1.914 -12.241 1.00 11.12 C ATOM 0 H LEU A 31 -10.472 5.082 -10.271 1.00 73.34 H new ATOM 0 HA LEU A 31 -10.839 3.790 -12.783 1.00 73.40 H new ATOM 0 HB2 LEU A 31 -11.003 2.950 -10.293 1.00 31.00 H new ATOM 0 HB3 LEU A 31 -12.661 3.508 -10.396 1.00 31.00 H new ATOM 0 HG LEU A 31 -11.519 1.566 -12.407 1.00 43.13 H new ATOM 0 HD11 LEU A 31 -12.489 -0.248 -11.053 1.00 74.21 H new ATOM 0 HD12 LEU A 31 -11.185 0.597 -10.187 1.00 74.21 H new ATOM 0 HD13 LEU A 31 -12.885 0.924 -9.774 1.00 74.21 H new ATOM 0 HD21 LEU A 31 -13.890 0.958 -12.686 1.00 11.12 H new ATOM 0 HD22 LEU A 31 -14.342 2.178 -11.472 1.00 11.12 H new ATOM 0 HD23 LEU A 31 -13.609 2.684 -13.012 1.00 11.12 H new ATOM 507 N GLU A 32 -13.199 5.840 -11.734 1.00 54.24 N ATOM 508 CA GLU A 32 -14.380 6.582 -12.160 1.00 14.44 C ATOM 509 C GLU A 32 -14.039 7.547 -13.292 1.00 25.41 C ATOM 510 O GLU A 32 -14.811 7.709 -14.236 1.00 3.40 O ATOM 511 CB GLU A 32 -14.977 7.354 -10.981 1.00 20.04 C ATOM 512 CG GLU A 32 -14.006 8.330 -10.338 1.00 41.22 C ATOM 513 CD GLU A 32 -14.601 9.040 -9.138 1.00 0.22 C ATOM 514 OE1 GLU A 32 -15.129 8.349 -8.242 1.00 22.43 O ATOM 515 OE2 GLU A 32 -14.539 10.287 -9.094 1.00 74.43 O ATOM 0 H GLU A 32 -12.869 6.072 -10.797 1.00 54.24 H new ATOM 0 HA GLU A 32 -15.115 5.865 -12.526 1.00 14.44 H new ATOM 0 HB2 GLU A 32 -15.855 7.901 -11.323 1.00 20.04 H new ATOM 0 HB3 GLU A 32 -15.317 6.644 -10.228 1.00 20.04 H new ATOM 0 HG2 GLU A 32 -13.108 7.794 -10.030 1.00 41.22 H new ATOM 0 HG3 GLU A 32 -13.698 9.070 -11.077 1.00 41.22 H new ATOM 522 N GLU A 33 -12.876 8.183 -13.189 1.00 11.35 N ATOM 523 CA GLU A 33 -12.433 9.132 -14.203 1.00 2.30 C ATOM 524 C GLU A 33 -12.115 8.419 -15.514 1.00 31.31 C ATOM 525 O GLU A 33 -12.342 8.958 -16.597 1.00 62.51 O ATOM 526 CB GLU A 33 -11.201 9.897 -13.714 1.00 62.13 C ATOM 527 CG GLU A 33 -11.051 11.274 -14.339 1.00 73.35 C ATOM 528 CD GLU A 33 -11.901 12.323 -13.649 1.00 42.24 C ATOM 529 OE1 GLU A 33 -12.923 11.949 -13.036 1.00 43.13 O ATOM 530 OE2 GLU A 33 -11.545 13.518 -13.722 1.00 64.34 O ATOM 0 H GLU A 33 -12.224 8.058 -12.414 1.00 11.35 H new ATOM 0 HA GLU A 33 -13.244 9.839 -14.381 1.00 2.30 H new ATOM 0 HB2 GLU A 33 -11.256 10.003 -12.631 1.00 62.13 H new ATOM 0 HB3 GLU A 33 -10.309 9.309 -13.932 1.00 62.13 H new ATOM 0 HG2 GLU A 33 -10.004 11.575 -14.298 1.00 73.35 H new ATOM 0 HG3 GLU A 33 -11.327 11.223 -15.392 1.00 73.35 H new ATOM 537 N SER A 34 -11.588 7.203 -15.406 1.00 53.14 N ATOM 538 CA SER A 34 -11.235 6.416 -16.582 1.00 41.53 C ATOM 539 C SER A 34 -12.476 6.079 -17.403 1.00 62.21 C ATOM 540 O SER A 34 -12.475 6.203 -18.627 1.00 74.23 O ATOM 541 CB SER A 34 -10.520 5.130 -16.165 1.00 64.03 C ATOM 542 OG SER A 34 -10.127 4.374 -17.298 1.00 54.42 O ATOM 0 H SER A 34 -11.396 6.742 -14.517 1.00 53.14 H new ATOM 0 HA SER A 34 -10.564 7.012 -17.200 1.00 41.53 H new ATOM 0 HB2 SER A 34 -9.643 5.376 -15.566 1.00 64.03 H new ATOM 0 HB3 SER A 34 -11.179 4.532 -15.535 1.00 64.03 H new ATOM 0 HG SER A 34 -9.671 3.558 -17.004 1.00 54.42 H new ATOM 548 N GLU A 35 -13.532 5.651 -16.718 1.00 52.34 N ATOM 549 CA GLU A 35 -14.780 5.295 -17.384 1.00 23.31 C ATOM 550 C GLU A 35 -15.643 6.531 -17.619 1.00 75.50 C ATOM 551 O GLU A 35 -16.690 6.457 -18.262 1.00 20.34 O ATOM 552 CB GLU A 35 -15.553 4.269 -16.552 1.00 4.54 C ATOM 553 CG GLU A 35 -15.062 2.843 -16.734 1.00 2.11 C ATOM 554 CD GLU A 35 -15.740 2.136 -17.891 1.00 51.13 C ATOM 555 OE1 GLU A 35 -16.893 1.689 -17.720 1.00 71.43 O ATOM 556 OE2 GLU A 35 -15.117 2.031 -18.969 1.00 30.04 O ATOM 0 H GLU A 35 -13.548 5.542 -15.704 1.00 52.34 H new ATOM 0 HA GLU A 35 -14.534 4.856 -18.351 1.00 23.31 H new ATOM 0 HB2 GLU A 35 -15.479 4.538 -15.498 1.00 4.54 H new ATOM 0 HB3 GLU A 35 -16.608 4.318 -16.820 1.00 4.54 H new ATOM 0 HG2 GLU A 35 -13.985 2.852 -16.900 1.00 2.11 H new ATOM 0 HG3 GLU A 35 -15.239 2.282 -15.816 1.00 2.11 H new ATOM 563 N GLY A 36 -15.197 7.667 -17.092 1.00 64.24 N ATOM 564 CA GLY A 36 -15.940 8.902 -17.255 1.00 12.44 C ATOM 565 C GLY A 36 -16.931 9.134 -16.131 1.00 53.44 C ATOM 566 O GLY A 36 -17.044 10.246 -15.614 1.00 51.22 O ATOM 0 H GLY A 36 -14.334 7.754 -16.555 1.00 64.24 H new ATOM 0 HA2 GLY A 36 -15.243 9.739 -17.299 1.00 12.44 H new ATOM 0 HA3 GLY A 36 -16.472 8.880 -18.206 1.00 12.44 H new ATOM 570 N ILE A 37 -17.652 8.084 -15.754 1.00 71.12 N ATOM 571 CA ILE A 37 -18.639 8.179 -14.686 1.00 0.23 C ATOM 572 C ILE A 37 -18.591 6.951 -13.783 1.00 15.45 C ATOM 573 O ILE A 37 -18.172 5.867 -14.188 1.00 54.34 O ATOM 574 CB ILE A 37 -20.064 8.334 -15.248 1.00 54.10 C ATOM 575 CG1 ILE A 37 -20.315 7.305 -16.352 1.00 51.13 C ATOM 576 CG2 ILE A 37 -20.276 9.746 -15.774 1.00 63.11 C ATOM 577 CD1 ILE A 37 -21.782 7.030 -16.600 1.00 23.42 C ATOM 0 H ILE A 37 -17.571 7.157 -16.172 1.00 71.12 H new ATOM 0 HA ILE A 37 -18.389 9.066 -14.103 1.00 0.23 H new ATOM 0 HB ILE A 37 -20.777 8.157 -14.443 1.00 54.10 H new ATOM 0 HG12 ILE A 37 -19.858 7.658 -17.277 1.00 51.13 H new ATOM 0 HG13 ILE A 37 -19.818 6.372 -16.087 1.00 51.13 H new ATOM 0 HG21 ILE A 37 -21.288 9.839 -16.168 1.00 63.11 H new ATOM 0 HG22 ILE A 37 -20.134 10.461 -14.964 1.00 63.11 H new ATOM 0 HG23 ILE A 37 -19.557 9.950 -16.568 1.00 63.11 H new ATOM 0 HD11 ILE A 37 -21.884 6.291 -17.395 1.00 23.42 H new ATOM 0 HD12 ILE A 37 -22.240 6.647 -15.688 1.00 23.42 H new ATOM 0 HD13 ILE A 37 -22.280 7.953 -16.896 1.00 23.42 H new ATOM 589 N PRO A 38 -19.033 7.123 -12.528 1.00 21.34 N ATOM 590 CA PRO A 38 -19.053 6.039 -11.541 1.00 33.12 C ATOM 591 C PRO A 38 -20.098 4.977 -11.868 1.00 23.05 C ATOM 592 O PRO A 38 -21.211 5.295 -12.283 1.00 33.33 O ATOM 593 CB PRO A 38 -19.409 6.755 -10.235 1.00 63.42 C ATOM 594 CG PRO A 38 -20.150 7.974 -10.662 1.00 1.55 C ATOM 595 CD PRO A 38 -19.547 8.387 -11.976 1.00 4.55 C ATOM 0 HA PRO A 38 -18.105 5.503 -11.505 1.00 33.12 H new ATOM 0 HB2 PRO A 38 -20.022 6.124 -9.592 1.00 63.42 H new ATOM 0 HB3 PRO A 38 -18.514 7.014 -9.669 1.00 63.42 H new ATOM 0 HG2 PRO A 38 -21.214 7.766 -10.770 1.00 1.55 H new ATOM 0 HG3 PRO A 38 -20.054 8.768 -9.922 1.00 1.55 H new ATOM 0 HD2 PRO A 38 -20.289 8.840 -12.634 1.00 4.55 H new ATOM 0 HD3 PRO A 38 -18.751 9.119 -11.840 1.00 4.55 H new ATOM 603 N GLY A 39 -19.730 3.713 -11.677 1.00 13.43 N ATOM 604 CA GLY A 39 -20.647 2.624 -11.956 1.00 34.10 C ATOM 605 C GLY A 39 -21.991 2.809 -11.278 1.00 62.25 C ATOM 606 O GLY A 39 -23.037 2.618 -11.897 1.00 62.41 O ATOM 0 H GLY A 39 -18.814 3.425 -11.334 1.00 13.43 H new ATOM 0 HA2 GLY A 39 -20.795 2.545 -13.033 1.00 34.10 H new ATOM 0 HA3 GLY A 39 -20.203 1.685 -11.625 1.00 34.10 H new ATOM 610 N ASN A 40 -21.962 3.180 -10.003 1.00 12.53 N ATOM 611 CA ASN A 40 -23.188 3.389 -9.240 1.00 25.12 C ATOM 612 C ASN A 40 -22.872 3.723 -7.785 1.00 13.30 C ATOM 613 O ASN A 40 -23.089 4.848 -7.335 1.00 52.12 O ATOM 614 CB ASN A 40 -24.074 2.143 -9.308 1.00 4.40 C ATOM 615 CG ASN A 40 -25.450 2.443 -9.869 1.00 13.31 C ATOM 616 OD1 ASN A 40 -25.629 2.548 -11.082 1.00 40.44 O ATOM 617 ND2 ASN A 40 -26.432 2.583 -8.985 1.00 65.20 N ATOM 0 H ASN A 40 -21.104 3.342 -9.476 1.00 12.53 H new ATOM 0 HA ASN A 40 -23.722 4.231 -9.680 1.00 25.12 H new ATOM 0 HB2 ASN A 40 -23.589 1.389 -9.927 1.00 4.40 H new ATOM 0 HB3 ASN A 40 -24.176 1.718 -8.309 1.00 4.40 H new ATOM 0 HD21 ASN A 40 -27.380 2.786 -9.303 1.00 65.20 H new ATOM 0 HD22 ASN A 40 -26.238 2.488 -7.988 1.00 65.20 H new ATOM 624 N MET A 41 -22.359 2.739 -7.055 1.00 63.41 N ATOM 625 CA MET A 41 -22.012 2.929 -5.652 1.00 3.05 C ATOM 626 C MET A 41 -20.501 3.047 -5.476 1.00 50.22 C ATOM 627 O MET A 41 -20.019 3.886 -4.714 1.00 53.24 O ATOM 628 CB MET A 41 -22.545 1.768 -4.810 1.00 52.10 C ATOM 629 CG MET A 41 -23.947 2.003 -4.270 1.00 24.21 C ATOM 630 SD MET A 41 -24.491 0.692 -3.159 1.00 33.44 S ATOM 631 CE MET A 41 -25.794 1.529 -2.259 1.00 51.43 C ATOM 0 H MET A 41 -22.174 1.801 -7.412 1.00 63.41 H new ATOM 0 HA MET A 41 -22.473 3.856 -5.313 1.00 3.05 H new ATOM 0 HB2 MET A 41 -22.545 0.861 -5.415 1.00 52.10 H new ATOM 0 HB3 MET A 41 -21.867 1.594 -3.974 1.00 52.10 H new ATOM 0 HG2 MET A 41 -23.974 2.956 -3.742 1.00 24.21 H new ATOM 0 HG3 MET A 41 -24.645 2.081 -5.104 1.00 24.21 H new ATOM 0 HE1 MET A 41 -26.230 0.845 -1.531 1.00 51.43 H new ATOM 0 HE2 MET A 41 -25.381 2.395 -1.742 1.00 51.43 H new ATOM 0 HE3 MET A 41 -26.565 1.857 -2.956 1.00 51.43 H new ATOM 641 N ILE A 42 -19.760 2.202 -6.185 1.00 2.41 N ATOM 642 CA ILE A 42 -18.304 2.214 -6.107 1.00 73.33 C ATOM 643 C ILE A 42 -17.831 2.186 -4.658 1.00 42.31 C ATOM 644 O ILE A 42 -17.086 3.064 -4.221 1.00 31.31 O ATOM 645 CB ILE A 42 -17.713 3.453 -6.805 1.00 61.34 C ATOM 646 CG1 ILE A 42 -18.376 3.662 -8.168 1.00 52.42 C ATOM 647 CG2 ILE A 42 -16.207 3.305 -6.960 1.00 63.24 C ATOM 648 CD1 ILE A 42 -18.238 2.476 -9.096 1.00 73.13 C ATOM 0 H ILE A 42 -20.143 1.501 -6.819 1.00 2.41 H new ATOM 0 HA ILE A 42 -17.953 1.318 -6.618 1.00 73.33 H new ATOM 0 HB ILE A 42 -17.911 4.329 -6.187 1.00 61.34 H new ATOM 0 HG12 ILE A 42 -19.435 3.875 -8.019 1.00 52.42 H new ATOM 0 HG13 ILE A 42 -17.938 4.539 -8.645 1.00 52.42 H new ATOM 0 HG21 ILE A 42 -15.804 4.188 -7.455 1.00 63.24 H new ATOM 0 HG22 ILE A 42 -15.749 3.199 -5.977 1.00 63.24 H new ATOM 0 HG23 ILE A 42 -15.988 2.421 -7.560 1.00 63.24 H new ATOM 0 HD11 ILE A 42 -18.732 2.695 -10.043 1.00 73.13 H new ATOM 0 HD12 ILE A 42 -17.182 2.275 -9.275 1.00 73.13 H new ATOM 0 HD13 ILE A 42 -18.701 1.601 -8.640 1.00 73.13 H new ATOM 660 N ARG A 43 -18.267 1.172 -3.918 1.00 65.11 N ATOM 661 CA ARG A 43 -17.887 1.029 -2.518 1.00 2.32 C ATOM 662 C ARG A 43 -17.253 -0.335 -2.263 1.00 1.04 C ATOM 663 O ARG A 43 -17.851 -1.373 -2.549 1.00 12.13 O ATOM 664 CB ARG A 43 -19.108 1.213 -1.615 1.00 1.11 C ATOM 665 CG ARG A 43 -19.375 2.661 -1.238 1.00 43.35 C ATOM 666 CD ARG A 43 -19.895 2.780 0.185 1.00 12.14 C ATOM 667 NE ARG A 43 -21.337 2.559 0.261 1.00 23.54 N ATOM 668 CZ ARG A 43 -22.024 2.579 1.398 1.00 74.22 C ATOM 669 NH1 ARG A 43 -21.405 2.810 2.547 1.00 33.22 N ATOM 670 NH2 ARG A 43 -23.334 2.368 1.386 1.00 55.23 N ATOM 0 H ARG A 43 -18.884 0.437 -4.265 1.00 65.11 H new ATOM 0 HA ARG A 43 -17.153 1.800 -2.286 1.00 2.32 H new ATOM 0 HB2 ARG A 43 -19.986 0.810 -2.119 1.00 1.11 H new ATOM 0 HB3 ARG A 43 -18.967 0.630 -0.705 1.00 1.11 H new ATOM 0 HG2 ARG A 43 -18.457 3.240 -1.340 1.00 43.35 H new ATOM 0 HG3 ARG A 43 -20.101 3.090 -1.929 1.00 43.35 H new ATOM 0 HD2 ARG A 43 -19.383 2.056 0.820 1.00 12.14 H new ATOM 0 HD3 ARG A 43 -19.659 3.770 0.576 1.00 12.14 H new ATOM 0 HE ARG A 43 -21.844 2.380 -0.606 1.00 23.54 H new ATOM 0 HH11 ARG A 43 -20.398 2.973 2.560 1.00 33.22 H new ATOM 0 HH12 ARG A 43 -21.935 2.825 3.418 1.00 33.22 H new ATOM 0 HH21 ARG A 43 -23.814 2.190 0.504 1.00 55.23 H new ATOM 0 HH22 ARG A 43 -23.861 2.383 2.259 1.00 55.23 H new ATOM 684 N LEU A 44 -16.039 -0.326 -1.723 1.00 42.24 N ATOM 685 CA LEU A 44 -15.323 -1.562 -1.430 1.00 23.42 C ATOM 686 C LEU A 44 -15.317 -1.845 0.069 1.00 23.40 C ATOM 687 O LEU A 44 -15.455 -0.933 0.884 1.00 33.43 O ATOM 688 CB LEU A 44 -13.887 -1.479 -1.950 1.00 63.24 C ATOM 689 CG LEU A 44 -13.053 -0.305 -1.436 1.00 53.11 C ATOM 690 CD1 LEU A 44 -11.586 -0.693 -1.342 1.00 2.42 C ATOM 691 CD2 LEU A 44 -13.229 0.909 -2.337 1.00 33.01 C ATOM 0 H LEU A 44 -15.530 0.524 -1.479 1.00 42.24 H new ATOM 0 HA LEU A 44 -15.839 -2.379 -1.934 1.00 23.42 H new ATOM 0 HB2 LEU A 44 -13.374 -2.405 -1.690 1.00 63.24 H new ATOM 0 HB3 LEU A 44 -13.919 -1.427 -3.038 1.00 63.24 H new ATOM 0 HG LEU A 44 -13.403 -0.045 -0.437 1.00 53.11 H new ATOM 0 HD11 LEU A 44 -11.008 0.155 -0.974 1.00 2.42 H new ATOM 0 HD12 LEU A 44 -11.475 -1.533 -0.656 1.00 2.42 H new ATOM 0 HD13 LEU A 44 -11.222 -0.980 -2.328 1.00 2.42 H new ATOM 0 HD21 LEU A 44 -12.628 1.735 -1.956 1.00 33.01 H new ATOM 0 HD22 LEU A 44 -12.906 0.662 -3.348 1.00 33.01 H new ATOM 0 HD23 LEU A 44 -14.279 1.201 -2.353 1.00 33.01 H new ATOM 703 N VAL A 45 -15.153 -3.115 0.426 1.00 70.54 N ATOM 704 CA VAL A 45 -15.125 -3.519 1.826 1.00 13.35 C ATOM 705 C VAL A 45 -13.751 -4.051 2.218 1.00 13.51 C ATOM 706 O VAL A 45 -13.284 -5.052 1.676 1.00 61.15 O ATOM 707 CB VAL A 45 -16.184 -4.598 2.121 1.00 13.40 C ATOM 708 CG1 VAL A 45 -16.234 -4.905 3.610 1.00 53.41 C ATOM 709 CG2 VAL A 45 -17.549 -4.157 1.613 1.00 2.10 C ATOM 0 H VAL A 45 -15.037 -3.882 -0.236 1.00 70.54 H new ATOM 0 HA VAL A 45 -15.349 -2.630 2.415 1.00 13.35 H new ATOM 0 HB VAL A 45 -15.903 -5.511 1.596 1.00 13.40 H new ATOM 0 HG11 VAL A 45 -16.988 -5.669 3.799 1.00 53.41 H new ATOM 0 HG12 VAL A 45 -15.260 -5.267 3.940 1.00 53.41 H new ATOM 0 HG13 VAL A 45 -16.490 -3.999 4.160 1.00 53.41 H new ATOM 0 HG21 VAL A 45 -18.285 -4.931 1.830 1.00 2.10 H new ATOM 0 HG22 VAL A 45 -17.840 -3.231 2.108 1.00 2.10 H new ATOM 0 HG23 VAL A 45 -17.501 -3.993 0.536 1.00 2.10 H new ATOM 719 N TYR A 46 -13.109 -3.374 3.164 1.00 61.13 N ATOM 720 CA TYR A 46 -11.787 -3.777 3.627 1.00 24.25 C ATOM 721 C TYR A 46 -11.878 -4.519 4.958 1.00 55.24 C ATOM 722 O TYR A 46 -12.284 -3.950 5.970 1.00 14.34 O ATOM 723 CB TYR A 46 -10.880 -2.554 3.774 1.00 22.23 C ATOM 724 CG TYR A 46 -9.473 -2.779 3.268 1.00 71.14 C ATOM 725 CD1 TYR A 46 -8.785 -3.948 3.566 1.00 25.22 C ATOM 726 CD2 TYR A 46 -8.833 -1.822 2.489 1.00 21.34 C ATOM 727 CE1 TYR A 46 -7.499 -4.157 3.106 1.00 21.40 C ATOM 728 CE2 TYR A 46 -7.548 -2.024 2.024 1.00 40.44 C ATOM 729 CZ TYR A 46 -6.885 -3.192 2.335 1.00 70.40 C ATOM 730 OH TYR A 46 -5.605 -3.398 1.873 1.00 0.45 O ATOM 0 H TYR A 46 -13.483 -2.544 3.625 1.00 61.13 H new ATOM 0 HA TYR A 46 -11.360 -4.451 2.884 1.00 24.25 H new ATOM 0 HB2 TYR A 46 -11.322 -1.717 3.233 1.00 22.23 H new ATOM 0 HB3 TYR A 46 -10.838 -2.268 4.825 1.00 22.23 H new ATOM 0 HD1 TYR A 46 -9.263 -4.707 4.168 1.00 25.22 H new ATOM 0 HD2 TYR A 46 -9.349 -0.906 2.243 1.00 21.34 H new ATOM 0 HE1 TYR A 46 -6.977 -5.071 3.349 1.00 21.40 H new ATOM 0 HE2 TYR A 46 -7.065 -1.270 1.420 1.00 40.44 H new ATOM 0 HH TYR A 46 -5.319 -2.624 1.345 1.00 0.45 H new ATOM 740 N GLN A 47 -11.498 -5.792 4.945 1.00 25.12 N ATOM 741 CA GLN A 47 -11.537 -6.612 6.150 1.00 24.41 C ATOM 742 C GLN A 47 -12.936 -6.623 6.756 1.00 11.02 C ATOM 743 O GLN A 47 -13.095 -6.665 7.975 1.00 11.24 O ATOM 744 CB GLN A 47 -10.527 -6.096 7.177 1.00 71.21 C ATOM 745 CG GLN A 47 -9.717 -7.198 7.841 1.00 73.11 C ATOM 746 CD GLN A 47 -9.015 -6.728 9.099 1.00 25.43 C ATOM 747 OE1 GLN A 47 -8.416 -5.653 9.125 1.00 2.32 O ATOM 748 NE2 GLN A 47 -9.084 -7.534 10.152 1.00 22.43 N ATOM 0 H GLN A 47 -11.160 -6.278 4.114 1.00 25.12 H new ATOM 0 HA GLN A 47 -11.273 -7.633 5.873 1.00 24.41 H new ATOM 0 HB2 GLN A 47 -9.846 -5.401 6.686 1.00 71.21 H new ATOM 0 HB3 GLN A 47 -11.058 -5.533 7.945 1.00 71.21 H new ATOM 0 HG2 GLN A 47 -10.376 -8.031 8.087 1.00 73.11 H new ATOM 0 HG3 GLN A 47 -8.977 -7.575 7.135 1.00 73.11 H new ATOM 0 HE21 GLN A 47 -9.591 -8.416 10.086 1.00 22.43 H new ATOM 0 HE22 GLN A 47 -8.630 -7.271 11.026 1.00 22.43 H new ATOM 757 N GLY A 48 -13.949 -6.584 5.896 1.00 61.44 N ATOM 758 CA GLY A 48 -15.322 -6.590 6.365 1.00 11.32 C ATOM 759 C GLY A 48 -15.791 -5.216 6.801 1.00 52.21 C ATOM 760 O GLY A 48 -16.916 -5.057 7.275 1.00 54.44 O ATOM 0 H GLY A 48 -13.843 -6.548 4.882 1.00 61.44 H new ATOM 0 HA2 GLY A 48 -15.972 -6.958 5.571 1.00 11.32 H new ATOM 0 HA3 GLY A 48 -15.415 -7.284 7.200 1.00 11.32 H new ATOM 764 N LYS A 49 -14.927 -4.219 6.642 1.00 24.44 N ATOM 765 CA LYS A 49 -15.257 -2.851 7.023 1.00 71.12 C ATOM 766 C LYS A 49 -15.581 -2.008 5.794 1.00 51.22 C ATOM 767 O LYS A 49 -15.136 -2.312 4.687 1.00 12.24 O ATOM 768 CB LYS A 49 -14.097 -2.220 7.796 1.00 64.42 C ATOM 769 CG LYS A 49 -14.452 -1.840 9.223 1.00 42.23 C ATOM 770 CD LYS A 49 -13.741 -2.728 10.230 1.00 1.00 C ATOM 771 CE LYS A 49 -14.369 -4.112 10.294 1.00 41.21 C ATOM 772 NZ LYS A 49 -15.529 -4.152 11.227 1.00 24.11 N ATOM 0 H LYS A 49 -13.992 -4.333 6.251 1.00 24.44 H new ATOM 0 HA LYS A 49 -16.138 -2.882 7.664 1.00 71.12 H new ATOM 0 HB2 LYS A 49 -13.260 -2.918 7.812 1.00 64.42 H new ATOM 0 HB3 LYS A 49 -13.759 -1.330 7.265 1.00 64.42 H new ATOM 0 HG2 LYS A 49 -14.183 -0.799 9.401 1.00 42.23 H new ATOM 0 HG3 LYS A 49 -15.530 -1.919 9.364 1.00 42.23 H new ATOM 0 HD2 LYS A 49 -12.689 -2.817 9.959 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -13.778 -2.264 11.216 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -14.694 -4.410 9.297 1.00 41.21 H new ATOM 0 HE3 LYS A 49 -13.620 -4.836 10.614 1.00 41.21 H new ATOM 0 HZ1 LYS A 49 -15.929 -5.112 11.242 1.00 24.11 H new ATOM 0 HZ2 LYS A 49 -15.214 -3.893 12.184 1.00 24.11 H new ATOM 0 HZ3 LYS A 49 -16.255 -3.479 10.907 1.00 24.11 H new ATOM 786 N GLN A 50 -16.357 -0.948 5.997 1.00 42.22 N ATOM 787 CA GLN A 50 -16.739 -0.061 4.904 1.00 3.12 C ATOM 788 C GLN A 50 -16.090 1.310 5.064 1.00 50.10 C ATOM 789 O GLN A 50 -15.678 1.690 6.161 1.00 60.20 O ATOM 790 CB GLN A 50 -18.260 0.085 4.846 1.00 12.31 C ATOM 791 CG GLN A 50 -19.004 -1.233 4.985 1.00 61.34 C ATOM 792 CD GLN A 50 -19.295 -1.590 6.429 1.00 70.21 C ATOM 793 OE1 GLN A 50 -20.161 -0.990 7.066 1.00 21.13 O ATOM 794 NE2 GLN A 50 -18.572 -2.572 6.954 1.00 64.44 N ATOM 0 H GLN A 50 -16.733 -0.683 6.907 1.00 42.22 H new ATOM 0 HA GLN A 50 -16.388 -0.502 3.971 1.00 3.12 H new ATOM 0 HB2 GLN A 50 -18.582 0.760 5.639 1.00 12.31 H new ATOM 0 HB3 GLN A 50 -18.536 0.550 3.900 1.00 12.31 H new ATOM 0 HG2 GLN A 50 -19.942 -1.176 4.433 1.00 61.34 H new ATOM 0 HG3 GLN A 50 -18.414 -2.029 4.530 1.00 61.34 H new ATOM 0 HE21 GLN A 50 -17.864 -3.042 6.390 1.00 64.44 H new ATOM 0 HE22 GLN A 50 -18.724 -2.856 7.922 1.00 64.44 H new ATOM 803 N LEU A 51 -16.002 2.049 3.964 1.00 42.14 N ATOM 804 CA LEU A 51 -15.403 3.379 3.981 1.00 5.00 C ATOM 805 C LEU A 51 -13.929 3.307 4.367 1.00 4.11 C ATOM 806 O LEU A 51 -13.592 3.112 5.534 1.00 33.34 O ATOM 807 CB LEU A 51 -16.154 4.286 4.958 1.00 63.43 C ATOM 808 CG LEU A 51 -17.677 4.148 4.965 1.00 4.31 C ATOM 809 CD1 LEU A 51 -18.273 4.879 6.158 1.00 24.03 C ATOM 810 CD2 LEU A 51 -18.266 4.676 3.665 1.00 0.33 C ATOM 0 H LEU A 51 -16.338 1.750 3.049 1.00 42.14 H new ATOM 0 HA LEU A 51 -15.477 3.797 2.977 1.00 5.00 H new ATOM 0 HB2 LEU A 51 -15.786 4.086 5.964 1.00 63.43 H new ATOM 0 HB3 LEU A 51 -15.904 5.321 4.727 1.00 63.43 H new ATOM 0 HG LEU A 51 -17.927 3.091 5.051 1.00 4.31 H new ATOM 0 HD11 LEU A 51 -19.357 4.770 6.147 1.00 24.03 H new ATOM 0 HD12 LEU A 51 -17.875 4.455 7.080 1.00 24.03 H new ATOM 0 HD13 LEU A 51 -18.014 5.936 6.103 1.00 24.03 H new ATOM 0 HD21 LEU A 51 -19.351 4.570 3.687 1.00 0.33 H new ATOM 0 HD22 LEU A 51 -18.007 5.728 3.549 1.00 0.33 H new ATOM 0 HD23 LEU A 51 -17.863 4.108 2.826 1.00 0.33 H new ATOM 822 N GLU A 52 -13.055 3.468 3.378 1.00 4.55 N ATOM 823 CA GLU A 52 -11.617 3.423 3.616 1.00 4.01 C ATOM 824 C GLU A 52 -10.946 4.708 3.140 1.00 44.13 C ATOM 825 O GLU A 52 -9.736 4.881 3.287 1.00 24.32 O ATOM 826 CB GLU A 52 -10.998 2.218 2.905 1.00 23.32 C ATOM 827 CG GLU A 52 -11.666 0.898 3.251 1.00 30.32 C ATOM 828 CD GLU A 52 -11.322 0.418 4.648 1.00 12.21 C ATOM 829 OE1 GLU A 52 -10.181 0.662 5.094 1.00 33.12 O ATOM 830 OE2 GLU A 52 -12.193 -0.200 5.295 1.00 61.42 O ATOM 0 H GLU A 52 -13.317 3.631 2.406 1.00 4.55 H new ATOM 0 HA GLU A 52 -11.455 3.325 4.689 1.00 4.01 H new ATOM 0 HB2 GLU A 52 -11.056 2.373 1.828 1.00 23.32 H new ATOM 0 HB3 GLU A 52 -9.940 2.159 3.162 1.00 23.32 H new ATOM 0 HG2 GLU A 52 -12.747 1.009 3.165 1.00 30.32 H new ATOM 0 HG3 GLU A 52 -11.364 0.142 2.526 1.00 30.32 H new ATOM 837 N ASP A 53 -11.740 5.606 2.568 1.00 41.15 N ATOM 838 CA ASP A 53 -11.224 6.876 2.069 1.00 32.14 C ATOM 839 C ASP A 53 -10.462 7.619 3.162 1.00 11.21 C ATOM 840 O ASP A 53 -9.420 8.220 2.905 1.00 5.03 O ATOM 841 CB ASP A 53 -12.369 7.746 1.547 1.00 65.34 C ATOM 842 CG ASP A 53 -12.018 8.445 0.248 1.00 62.53 C ATOM 843 OD1 ASP A 53 -11.131 9.323 0.268 1.00 63.11 O ATOM 844 OD2 ASP A 53 -12.631 8.114 -0.789 1.00 31.42 O ATOM 0 H ASP A 53 -12.744 5.478 2.438 1.00 41.15 H new ATOM 0 HA ASP A 53 -10.536 6.665 1.250 1.00 32.14 H new ATOM 0 HB2 ASP A 53 -13.253 7.126 1.396 1.00 65.34 H new ATOM 0 HB3 ASP A 53 -12.627 8.491 2.299 1.00 65.34 H new ATOM 849 N GLU A 54 -10.991 7.574 4.381 1.00 51.11 N ATOM 850 CA GLU A 54 -10.361 8.245 5.512 1.00 41.23 C ATOM 851 C GLU A 54 -9.031 7.586 5.863 1.00 24.44 C ATOM 852 O GLU A 54 -8.169 8.197 6.497 1.00 74.53 O ATOM 853 CB GLU A 54 -11.290 8.225 6.728 1.00 42.15 C ATOM 854 CG GLU A 54 -11.556 9.602 7.313 1.00 71.31 C ATOM 855 CD GLU A 54 -12.207 9.538 8.681 1.00 51.01 C ATOM 856 OE1 GLU A 54 -12.047 8.506 9.366 1.00 71.12 O ATOM 857 OE2 GLU A 54 -12.876 10.519 9.066 1.00 12.25 O ATOM 0 H GLU A 54 -11.854 7.080 4.610 1.00 51.11 H new ATOM 0 HA GLU A 54 -10.170 9.280 5.227 1.00 41.23 H new ATOM 0 HB2 GLU A 54 -12.239 7.771 6.442 1.00 42.15 H new ATOM 0 HB3 GLU A 54 -10.852 7.590 7.499 1.00 42.15 H new ATOM 0 HG2 GLU A 54 -10.616 10.149 7.387 1.00 71.31 H new ATOM 0 HG3 GLU A 54 -12.199 10.163 6.635 1.00 71.31 H new ATOM 864 N LYS A 55 -8.870 6.334 5.448 1.00 22.44 N ATOM 865 CA LYS A 55 -7.645 5.589 5.718 1.00 54.04 C ATOM 866 C LYS A 55 -6.700 5.646 4.522 1.00 41.10 C ATOM 867 O LYS A 55 -6.042 4.660 4.192 1.00 64.42 O ATOM 868 CB LYS A 55 -7.973 4.132 6.053 1.00 53.31 C ATOM 869 CG LYS A 55 -8.392 3.920 7.497 1.00 1.15 C ATOM 870 CD LYS A 55 -9.852 4.283 7.714 1.00 25.21 C ATOM 871 CE LYS A 55 -10.560 3.252 8.579 1.00 23.42 C ATOM 872 NZ LYS A 55 -11.832 3.781 9.144 1.00 4.14 N ATOM 0 H LYS A 55 -9.573 5.813 4.923 1.00 22.44 H new ATOM 0 HA LYS A 55 -7.150 6.049 6.573 1.00 54.04 H new ATOM 0 HB2 LYS A 55 -8.773 3.788 5.397 1.00 53.31 H new ATOM 0 HB3 LYS A 55 -7.100 3.514 5.842 1.00 53.31 H new ATOM 0 HG2 LYS A 55 -8.230 2.878 7.774 1.00 1.15 H new ATOM 0 HG3 LYS A 55 -7.765 4.525 8.151 1.00 1.15 H new ATOM 0 HD2 LYS A 55 -9.918 5.263 8.187 1.00 25.21 H new ATOM 0 HD3 LYS A 55 -10.356 4.359 6.751 1.00 25.21 H new ATOM 0 HE2 LYS A 55 -10.769 2.362 7.985 1.00 23.42 H new ATOM 0 HE3 LYS A 55 -9.901 2.946 9.392 1.00 23.42 H new ATOM 0 HZ1 LYS A 55 -12.284 3.048 9.727 1.00 4.14 H new ATOM 0 HZ2 LYS A 55 -11.631 4.615 9.731 1.00 4.14 H new ATOM 0 HZ3 LYS A 55 -12.471 4.049 8.369 1.00 4.14 H new ATOM 886 N ARG A 56 -6.637 6.807 3.878 1.00 2.12 N ATOM 887 CA ARG A 56 -5.771 6.992 2.720 1.00 54.14 C ATOM 888 C ARG A 56 -4.362 6.484 3.007 1.00 23.13 C ATOM 889 O ARG A 56 -3.997 5.376 2.612 1.00 21.32 O ATOM 890 CB ARG A 56 -5.722 8.469 2.324 1.00 3.01 C ATOM 891 CG ARG A 56 -5.861 9.420 3.502 1.00 64.13 C ATOM 892 CD ARG A 56 -7.260 10.011 3.578 1.00 4.13 C ATOM 893 NE ARG A 56 -7.239 11.416 3.978 1.00 31.54 N ATOM 894 CZ ARG A 56 -7.070 11.820 5.232 1.00 0.13 C ATOM 895 NH1 ARG A 56 -6.907 10.932 6.203 1.00 71.52 N ATOM 896 NH2 ARG A 56 -7.063 13.116 5.517 1.00 30.05 N ATOM 0 H ARG A 56 -7.175 7.633 4.139 1.00 2.12 H new ATOM 0 HA ARG A 56 -6.184 6.415 1.893 1.00 54.14 H new ATOM 0 HB2 ARG A 56 -4.779 8.669 1.816 1.00 3.01 H new ATOM 0 HB3 ARG A 56 -6.519 8.671 1.608 1.00 3.01 H new ATOM 0 HG2 ARG A 56 -5.638 8.889 4.428 1.00 64.13 H new ATOM 0 HG3 ARG A 56 -5.130 10.223 3.411 1.00 64.13 H new ATOM 0 HD2 ARG A 56 -7.746 9.918 2.607 1.00 4.13 H new ATOM 0 HD3 ARG A 56 -7.857 9.440 4.290 1.00 4.13 H new ATOM 0 HE ARG A 56 -7.361 12.125 3.255 1.00 31.54 H new ATOM 0 HH11 ARG A 56 -6.911 9.935 5.988 1.00 71.52 H new ATOM 0 HH12 ARG A 56 -6.777 11.246 7.165 1.00 71.52 H new ATOM 0 HH21 ARG A 56 -7.187 13.802 4.773 1.00 30.05 H new ATOM 0 HH22 ARG A 56 -6.933 13.426 6.480 1.00 30.05 H new ATOM 910 N LEU A 57 -3.573 7.301 3.697 1.00 73.10 N ATOM 911 CA LEU A 57 -2.203 6.935 4.038 1.00 62.24 C ATOM 912 C LEU A 57 -2.175 5.698 4.930 1.00 13.45 C ATOM 913 O LEU A 57 -1.273 4.866 4.830 1.00 13.51 O ATOM 914 CB LEU A 57 -1.502 8.100 4.739 1.00 72.12 C ATOM 915 CG LEU A 57 0.025 8.113 4.655 1.00 14.33 C ATOM 916 CD1 LEU A 57 0.561 9.512 4.916 1.00 42.23 C ATOM 917 CD2 LEU A 57 0.621 7.119 5.641 1.00 43.12 C ATOM 0 H LEU A 57 -3.859 8.221 4.031 1.00 73.10 H new ATOM 0 HA LEU A 57 -1.674 6.705 3.113 1.00 62.24 H new ATOM 0 HB2 LEU A 57 -1.877 9.032 4.315 1.00 72.12 H new ATOM 0 HB3 LEU A 57 -1.788 8.090 5.791 1.00 72.12 H new ATOM 0 HG LEU A 57 0.318 7.816 3.648 1.00 14.33 H new ATOM 0 HD11 LEU A 57 1.649 9.503 4.852 1.00 42.23 H new ATOM 0 HD12 LEU A 57 0.160 10.200 4.172 1.00 42.23 H new ATOM 0 HD13 LEU A 57 0.259 9.838 5.911 1.00 42.23 H new ATOM 0 HD21 LEU A 57 1.708 7.141 5.568 1.00 43.12 H new ATOM 0 HD22 LEU A 57 0.320 7.386 6.654 1.00 43.12 H new ATOM 0 HD23 LEU A 57 0.262 6.116 5.409 1.00 43.12 H new ATOM 929 N LYS A 58 -3.171 5.583 5.803 1.00 62.21 N ATOM 930 CA LYS A 58 -3.264 4.447 6.712 1.00 71.52 C ATOM 931 C LYS A 58 -3.316 3.133 5.938 1.00 54.34 C ATOM 932 O LYS A 58 -2.933 2.083 6.452 1.00 23.22 O ATOM 933 CB LYS A 58 -4.504 4.577 7.599 1.00 11.42 C ATOM 934 CG LYS A 58 -4.183 4.702 9.078 1.00 0.35 C ATOM 935 CD LYS A 58 -4.705 3.512 9.865 1.00 73.31 C ATOM 936 CE LYS A 58 -4.095 3.452 11.257 1.00 51.11 C ATOM 937 NZ LYS A 58 -4.345 4.703 12.026 1.00 20.40 N ATOM 0 H LYS A 58 -3.925 6.263 5.900 1.00 62.21 H new ATOM 0 HA LYS A 58 -2.374 4.444 7.341 1.00 71.52 H new ATOM 0 HB2 LYS A 58 -5.075 5.450 7.285 1.00 11.42 H new ATOM 0 HB3 LYS A 58 -5.142 3.707 7.447 1.00 11.42 H new ATOM 0 HG2 LYS A 58 -3.104 4.782 9.211 1.00 0.35 H new ATOM 0 HG3 LYS A 58 -4.622 5.619 9.470 1.00 0.35 H new ATOM 0 HD2 LYS A 58 -5.790 3.575 9.945 1.00 73.31 H new ATOM 0 HD3 LYS A 58 -4.478 2.591 9.327 1.00 73.31 H new ATOM 0 HE2 LYS A 58 -4.511 2.603 11.800 1.00 51.11 H new ATOM 0 HE3 LYS A 58 -3.021 3.284 11.176 1.00 51.11 H new ATOM 0 HZ1 LYS A 58 -4.082 4.557 13.021 1.00 20.40 H new ATOM 0 HZ2 LYS A 58 -3.775 5.476 11.627 1.00 20.40 H new ATOM 0 HZ3 LYS A 58 -5.353 4.951 11.967 1.00 20.40 H new ATOM 951 N ASP A 59 -3.792 3.201 4.699 1.00 21.31 N ATOM 952 CA ASP A 59 -3.892 2.017 3.853 1.00 44.10 C ATOM 953 C ASP A 59 -2.551 1.705 3.195 1.00 30.34 C ATOM 954 O ASP A 59 -2.337 0.602 2.691 1.00 35.12 O ATOM 955 CB ASP A 59 -4.964 2.219 2.782 1.00 75.23 C ATOM 956 CG ASP A 59 -6.296 1.610 3.174 1.00 13.25 C ATOM 957 OD1 ASP A 59 -6.614 1.608 4.382 1.00 52.21 O ATOM 958 OD2 ASP A 59 -7.020 1.135 2.274 1.00 14.14 O ATOM 0 H ASP A 59 -4.114 4.063 4.259 1.00 21.31 H new ATOM 0 HA ASP A 59 -4.173 1.173 4.483 1.00 44.10 H new ATOM 0 HB2 ASP A 59 -5.095 3.286 2.600 1.00 75.23 H new ATOM 0 HB3 ASP A 59 -4.626 1.775 1.846 1.00 75.23 H new ATOM 963 N TYR A 60 -1.652 2.682 3.204 1.00 41.45 N ATOM 964 CA TYR A 60 -0.333 2.513 2.605 1.00 53.22 C ATOM 965 C TYR A 60 0.561 1.653 3.492 1.00 63.43 C ATOM 966 O TYR A 60 1.551 1.086 3.029 1.00 73.31 O ATOM 967 CB TYR A 60 0.322 3.875 2.369 1.00 13.34 C ATOM 968 CG TYR A 60 1.717 3.785 1.794 1.00 70.10 C ATOM 969 CD1 TYR A 60 1.949 3.151 0.580 1.00 44.13 C ATOM 970 CD2 TYR A 60 2.803 4.334 2.464 1.00 11.45 C ATOM 971 CE1 TYR A 60 3.223 3.066 0.051 1.00 73.42 C ATOM 972 CE2 TYR A 60 4.080 4.255 1.942 1.00 35.13 C ATOM 973 CZ TYR A 60 4.284 3.619 0.736 1.00 43.14 C ATOM 974 OH TYR A 60 5.554 3.537 0.211 1.00 10.33 O ATOM 0 H TYR A 60 -1.812 3.600 3.619 1.00 41.45 H new ATOM 0 HA TYR A 60 -0.459 2.008 1.647 1.00 53.22 H new ATOM 0 HB2 TYR A 60 -0.304 4.457 1.693 1.00 13.34 H new ATOM 0 HB3 TYR A 60 0.362 4.418 3.313 1.00 13.34 H new ATOM 0 HD1 TYR A 60 1.120 2.717 0.041 1.00 44.13 H new ATOM 0 HD2 TYR A 60 2.646 4.831 3.410 1.00 11.45 H new ATOM 0 HE1 TYR A 60 3.387 2.569 -0.894 1.00 73.42 H new ATOM 0 HE2 TYR A 60 4.913 4.689 2.475 1.00 35.13 H new ATOM 0 HH TYR A 60 5.645 2.704 -0.298 1.00 10.33 H new ATOM 984 N GLN A 61 0.205 1.560 4.769 1.00 55.43 N ATOM 985 CA GLN A 61 0.974 0.769 5.721 1.00 5.23 C ATOM 986 C GLN A 61 0.645 -0.714 5.589 1.00 0.00 C ATOM 987 O GLN A 61 1.260 -1.557 6.241 1.00 3.23 O ATOM 988 CB GLN A 61 0.697 1.240 7.150 1.00 55.11 C ATOM 989 CG GLN A 61 1.947 1.353 8.007 1.00 33.24 C ATOM 990 CD GLN A 61 2.818 2.530 7.617 1.00 41.21 C ATOM 991 OE1 GLN A 61 3.540 2.479 6.621 1.00 44.40 O ATOM 992 NE2 GLN A 61 2.755 3.600 8.401 1.00 33.22 N ATOM 0 H GLN A 61 -0.612 2.023 5.168 1.00 55.43 H new ATOM 0 HA GLN A 61 2.032 0.908 5.499 1.00 5.23 H new ATOM 0 HB2 GLN A 61 0.202 2.211 7.114 1.00 55.11 H new ATOM 0 HB3 GLN A 61 0.003 0.546 7.624 1.00 55.11 H new ATOM 0 HG2 GLN A 61 1.658 1.451 9.053 1.00 33.24 H new ATOM 0 HG3 GLN A 61 2.526 0.433 7.921 1.00 33.24 H new ATOM 0 HE21 GLN A 61 2.143 3.599 9.217 1.00 33.22 H new ATOM 0 HE22 GLN A 61 3.319 4.423 8.187 1.00 33.22 H new ATOM 1001 N MET A 62 -0.330 -1.025 4.741 1.00 63.22 N ATOM 1002 CA MET A 62 -0.740 -2.408 4.523 1.00 50.52 C ATOM 1003 C MET A 62 0.166 -3.089 3.502 1.00 54.11 C ATOM 1004 O MET A 62 0.938 -3.984 3.843 1.00 22.34 O ATOM 1005 CB MET A 62 -2.194 -2.462 4.049 1.00 43.31 C ATOM 1006 CG MET A 62 -3.122 -1.547 4.831 1.00 34.42 C ATOM 1007 SD MET A 62 -3.153 -1.931 6.593 1.00 40.12 S ATOM 1008 CE MET A 62 -4.917 -2.036 6.886 1.00 42.01 C ATOM 0 H MET A 62 -0.850 -0.339 4.194 1.00 63.22 H new ATOM 0 HA MET A 62 -0.654 -2.940 5.470 1.00 50.52 H new ATOM 0 HB2 MET A 62 -2.234 -2.191 2.994 1.00 43.31 H new ATOM 0 HB3 MET A 62 -2.556 -3.487 4.129 1.00 43.31 H new ATOM 0 HG2 MET A 62 -2.806 -0.513 4.694 1.00 34.42 H new ATOM 0 HG3 MET A 62 -4.131 -1.629 4.427 1.00 34.42 H new ATOM 0 HE1 MET A 62 -5.098 -2.269 7.935 1.00 42.01 H new ATOM 0 HE2 MET A 62 -5.384 -1.082 6.640 1.00 42.01 H new ATOM 0 HE3 MET A 62 -5.343 -2.821 6.262 1.00 42.01 H new ATOM 1018 N SER A 63 0.065 -2.659 2.248 1.00 32.21 N ATOM 1019 CA SER A 63 0.872 -3.231 1.177 1.00 61.12 C ATOM 1020 C SER A 63 0.677 -4.742 1.097 1.00 24.23 C ATOM 1021 O SER A 63 1.550 -5.467 0.620 1.00 31.12 O ATOM 1022 CB SER A 63 2.351 -2.907 1.395 1.00 1.24 C ATOM 1023 OG SER A 63 2.521 -1.569 1.832 1.00 71.25 O ATOM 0 H SER A 63 -0.568 -1.917 1.949 1.00 32.21 H new ATOM 0 HA SER A 63 0.546 -2.790 0.235 1.00 61.12 H new ATOM 0 HB2 SER A 63 2.771 -3.590 2.133 1.00 1.24 H new ATOM 0 HB3 SER A 63 2.901 -3.063 0.467 1.00 1.24 H new ATOM 0 HG SER A 63 3.475 -1.387 1.966 1.00 71.25 H new ATOM 1029 N ALA A 64 -0.474 -5.210 1.569 1.00 41.33 N ATOM 1030 CA ALA A 64 -0.785 -6.634 1.550 1.00 53.53 C ATOM 1031 C ALA A 64 -2.177 -6.899 2.114 1.00 1.30 C ATOM 1032 O ALA A 64 -2.369 -7.812 2.915 1.00 23.33 O ATOM 1033 CB ALA A 64 0.261 -7.413 2.332 1.00 21.13 C ATOM 0 H ALA A 64 -1.206 -4.624 1.969 1.00 41.33 H new ATOM 0 HA ALA A 64 -0.772 -6.970 0.513 1.00 53.53 H new ATOM 0 HB1 ALA A 64 0.016 -8.475 2.309 1.00 21.13 H new ATOM 0 HB2 ALA A 64 1.242 -7.257 1.883 1.00 21.13 H new ATOM 0 HB3 ALA A 64 0.276 -7.066 3.365 1.00 21.13 H new ATOM 1039 N GLY A 65 -3.146 -6.093 1.691 1.00 41.44 N ATOM 1040 CA GLY A 65 -4.507 -6.256 2.165 1.00 35.42 C ATOM 1041 C GLY A 65 -5.495 -6.461 1.034 1.00 71.13 C ATOM 1042 O GLY A 65 -5.606 -5.624 0.138 1.00 25.23 O ATOM 0 H GLY A 65 -3.012 -5.330 1.028 1.00 41.44 H new ATOM 0 HA2 GLY A 65 -4.553 -7.109 2.842 1.00 35.42 H new ATOM 0 HA3 GLY A 65 -4.796 -5.376 2.740 1.00 35.42 H new ATOM 1046 N ALA A 66 -6.214 -7.578 1.073 1.00 71.23 N ATOM 1047 CA ALA A 66 -7.198 -7.890 0.043 1.00 25.10 C ATOM 1048 C ALA A 66 -8.308 -6.845 0.010 1.00 61.41 C ATOM 1049 O ALA A 66 -8.825 -6.439 1.051 1.00 23.55 O ATOM 1050 CB ALA A 66 -7.781 -9.276 0.273 1.00 31.21 C ATOM 0 H ALA A 66 -6.134 -8.282 1.807 1.00 71.23 H new ATOM 0 HA ALA A 66 -6.694 -7.876 -0.923 1.00 25.10 H new ATOM 0 HB1 ALA A 66 -8.514 -9.496 -0.503 1.00 31.21 H new ATOM 0 HB2 ALA A 66 -6.982 -10.017 0.238 1.00 31.21 H new ATOM 0 HB3 ALA A 66 -8.265 -9.310 1.249 1.00 31.21 H new ATOM 1056 N THR A 67 -8.671 -6.412 -1.193 1.00 61.04 N ATOM 1057 CA THR A 67 -9.719 -5.413 -1.362 1.00 64.00 C ATOM 1058 C THR A 67 -10.828 -5.928 -2.271 1.00 74.31 C ATOM 1059 O THR A 67 -10.565 -6.594 -3.273 1.00 52.41 O ATOM 1060 CB THR A 67 -9.157 -4.104 -1.948 1.00 12.43 C ATOM 1061 OG1 THR A 67 -7.764 -4.256 -2.242 1.00 72.22 O ATOM 1062 CG2 THR A 67 -9.352 -2.949 -0.976 1.00 61.24 C ATOM 0 H THR A 67 -8.254 -6.738 -2.065 1.00 61.04 H new ATOM 0 HA THR A 67 -10.128 -5.213 -0.372 1.00 64.00 H new ATOM 0 HB THR A 67 -9.699 -3.881 -2.867 1.00 12.43 H new ATOM 0 HG1 THR A 67 -7.631 -5.057 -2.790 1.00 72.22 H new ATOM 0 HG21 THR A 67 -8.948 -2.035 -1.411 1.00 61.24 H new ATOM 0 HG22 THR A 67 -10.415 -2.816 -0.777 1.00 61.24 H new ATOM 0 HG23 THR A 67 -8.833 -3.167 -0.043 1.00 61.24 H new ATOM 1070 N PHE A 68 -12.070 -5.617 -1.916 1.00 14.51 N ATOM 1071 CA PHE A 68 -13.221 -6.049 -2.700 1.00 53.34 C ATOM 1072 C PHE A 68 -14.153 -4.876 -2.991 1.00 11.24 C ATOM 1073 O PHE A 68 -14.769 -4.318 -2.082 1.00 4.43 O ATOM 1074 CB PHE A 68 -13.984 -7.150 -1.962 1.00 32.25 C ATOM 1075 CG PHE A 68 -15.340 -7.433 -2.542 1.00 71.34 C ATOM 1076 CD1 PHE A 68 -15.465 -7.998 -3.802 1.00 3.24 C ATOM 1077 CD2 PHE A 68 -16.490 -7.135 -1.829 1.00 61.51 C ATOM 1078 CE1 PHE A 68 -16.711 -8.259 -4.339 1.00 12.43 C ATOM 1079 CE2 PHE A 68 -17.739 -7.394 -2.361 1.00 33.42 C ATOM 1080 CZ PHE A 68 -17.850 -7.958 -3.617 1.00 2.31 C ATOM 0 H PHE A 68 -12.305 -5.067 -1.090 1.00 14.51 H new ATOM 0 HA PHE A 68 -12.855 -6.443 -3.648 1.00 53.34 H new ATOM 0 HB2 PHE A 68 -13.392 -8.065 -1.979 1.00 32.25 H new ATOM 0 HB3 PHE A 68 -14.098 -6.864 -0.916 1.00 32.25 H new ATOM 0 HD1 PHE A 68 -14.578 -8.237 -4.370 1.00 3.24 H new ATOM 0 HD2 PHE A 68 -16.409 -6.695 -0.846 1.00 61.51 H new ATOM 0 HE1 PHE A 68 -16.795 -8.698 -5.322 1.00 12.43 H new ATOM 0 HE2 PHE A 68 -18.627 -7.156 -1.795 1.00 33.42 H new ATOM 0 HZ PHE A 68 -18.825 -8.163 -4.034 1.00 2.31 H new ATOM 1090 N HIS A 69 -14.251 -4.507 -4.264 1.00 13.32 N ATOM 1091 CA HIS A 69 -15.108 -3.400 -4.675 1.00 62.01 C ATOM 1092 C HIS A 69 -16.505 -3.898 -5.031 1.00 15.11 C ATOM 1093 O HIS A 69 -16.666 -4.989 -5.576 1.00 64.42 O ATOM 1094 CB HIS A 69 -14.494 -2.669 -5.870 1.00 75.50 C ATOM 1095 CG HIS A 69 -13.271 -1.878 -5.524 1.00 41.04 C ATOM 1096 ND1 HIS A 69 -12.292 -2.340 -4.671 1.00 22.34 N ATOM 1097 CD2 HIS A 69 -12.870 -0.649 -5.924 1.00 45.32 C ATOM 1098 CE1 HIS A 69 -11.342 -1.429 -4.559 1.00 0.12 C ATOM 1099 NE2 HIS A 69 -11.668 -0.393 -5.310 1.00 53.31 N ATOM 0 H HIS A 69 -13.748 -4.958 -5.028 1.00 13.32 H new ATOM 0 HA HIS A 69 -15.191 -2.707 -3.838 1.00 62.01 H new ATOM 0 HB2 HIS A 69 -14.240 -3.398 -6.640 1.00 75.50 H new ATOM 0 HB3 HIS A 69 -15.240 -2.000 -6.299 1.00 75.50 H new ATOM 0 HD2 HIS A 69 -13.397 0.008 -6.600 1.00 45.32 H new ATOM 0 HE1 HIS A 69 -10.450 -1.517 -3.956 1.00 0.12 H new ATOM 0 HE2 HIS A 69 -11.117 0.459 -5.417 1.00 53.31 H new ATOM 1107 N MET A 70 -17.514 -3.090 -4.718 1.00 25.53 N ATOM 1108 CA MET A 70 -18.897 -3.450 -5.005 1.00 54.41 C ATOM 1109 C MET A 70 -19.601 -2.333 -5.769 1.00 55.22 C ATOM 1110 O MET A 70 -19.589 -1.176 -5.349 1.00 3.21 O ATOM 1111 CB MET A 70 -19.650 -3.748 -3.707 1.00 4.23 C ATOM 1112 CG MET A 70 -21.111 -4.109 -3.920 1.00 25.31 C ATOM 1113 SD MET A 70 -21.560 -5.672 -3.141 1.00 71.35 S ATOM 1114 CE MET A 70 -23.319 -5.436 -2.898 1.00 3.43 C ATOM 0 H MET A 70 -17.399 -2.183 -4.266 1.00 25.53 H new ATOM 0 HA MET A 70 -18.891 -4.345 -5.627 1.00 54.41 H new ATOM 0 HB2 MET A 70 -19.154 -4.569 -3.189 1.00 4.23 H new ATOM 0 HB3 MET A 70 -19.591 -2.877 -3.054 1.00 4.23 H new ATOM 0 HG2 MET A 70 -21.740 -3.314 -3.520 1.00 25.31 H new ATOM 0 HG3 MET A 70 -21.315 -4.169 -4.989 1.00 25.31 H new ATOM 0 HE1 MET A 70 -23.743 -6.321 -2.423 1.00 3.43 H new ATOM 0 HE2 MET A 70 -23.485 -4.568 -2.260 1.00 3.43 H new ATOM 0 HE3 MET A 70 -23.801 -5.275 -3.862 1.00 3.43 H new ATOM 1124 N VAL A 71 -20.215 -2.687 -6.894 1.00 50.20 N ATOM 1125 CA VAL A 71 -20.925 -1.714 -7.716 1.00 70.43 C ATOM 1126 C VAL A 71 -22.270 -2.264 -8.180 1.00 5.14 C ATOM 1127 O VAL A 71 -22.329 -3.182 -8.998 1.00 24.15 O ATOM 1128 CB VAL A 71 -20.096 -1.310 -8.949 1.00 64.05 C ATOM 1129 CG1 VAL A 71 -20.787 -0.193 -9.715 1.00 53.35 C ATOM 1130 CG2 VAL A 71 -18.693 -0.894 -8.534 1.00 44.32 C ATOM 0 H VAL A 71 -20.235 -3.640 -7.257 1.00 50.20 H new ATOM 0 HA VAL A 71 -21.090 -0.834 -7.094 1.00 70.43 H new ATOM 0 HB VAL A 71 -20.014 -2.174 -9.609 1.00 64.05 H new ATOM 0 HG11 VAL A 71 -20.186 0.079 -10.583 1.00 53.35 H new ATOM 0 HG12 VAL A 71 -21.769 -0.532 -10.045 1.00 53.35 H new ATOM 0 HG13 VAL A 71 -20.902 0.676 -9.067 1.00 53.35 H new ATOM 0 HG21 VAL A 71 -18.121 -0.612 -9.418 1.00 44.32 H new ATOM 0 HG22 VAL A 71 -18.752 -0.045 -7.853 1.00 44.32 H new ATOM 0 HG23 VAL A 71 -18.200 -1.727 -8.033 1.00 44.32 H new ATOM 1140 N VAL A 72 -23.349 -1.695 -7.651 1.00 62.35 N ATOM 1141 CA VAL A 72 -24.694 -2.127 -8.012 1.00 11.21 C ATOM 1142 C VAL A 72 -25.375 -1.105 -8.916 1.00 30.41 C ATOM 1143 O VAL A 72 -25.786 -0.037 -8.464 1.00 30.45 O ATOM 1144 CB VAL A 72 -25.565 -2.351 -6.762 1.00 33.03 C ATOM 1145 CG1 VAL A 72 -25.492 -1.146 -5.837 1.00 15.23 C ATOM 1146 CG2 VAL A 72 -27.004 -2.641 -7.161 1.00 34.03 C ATOM 0 H VAL A 72 -23.318 -0.935 -6.972 1.00 62.35 H new ATOM 0 HA VAL A 72 -24.591 -3.070 -8.548 1.00 11.21 H new ATOM 0 HB VAL A 72 -25.180 -3.216 -6.222 1.00 33.03 H new ATOM 0 HG11 VAL A 72 -26.114 -1.323 -4.959 1.00 15.23 H new ATOM 0 HG12 VAL A 72 -24.460 -0.989 -5.525 1.00 15.23 H new ATOM 0 HG13 VAL A 72 -25.850 -0.261 -6.363 1.00 15.23 H new ATOM 0 HG21 VAL A 72 -27.606 -2.797 -6.265 1.00 34.03 H new ATOM 0 HG22 VAL A 72 -27.403 -1.797 -7.724 1.00 34.03 H new ATOM 0 HG23 VAL A 72 -27.036 -3.537 -7.780 1.00 34.03 H new ATOM 1156 N ALA A 73 -25.491 -1.442 -10.196 1.00 54.55 N ATOM 1157 CA ALA A 73 -26.125 -0.555 -11.164 1.00 51.24 C ATOM 1158 C ALA A 73 -27.294 -1.246 -11.859 1.00 44.30 C ATOM 1159 O ALA A 73 -27.325 -1.353 -13.086 1.00 2.42 O ATOM 1160 CB ALA A 73 -25.107 -0.078 -12.189 1.00 65.12 C ATOM 0 H ALA A 73 -25.155 -2.322 -10.587 1.00 54.55 H new ATOM 0 HA ALA A 73 -26.515 0.309 -10.626 1.00 51.24 H new ATOM 0 HB1 ALA A 73 -25.594 0.583 -12.905 1.00 65.12 H new ATOM 0 HB2 ALA A 73 -24.307 0.462 -11.683 1.00 65.12 H new ATOM 0 HB3 ALA A 73 -24.690 -0.937 -12.714 1.00 65.12 H new ATOM 1166 N LEU A 74 -28.253 -1.714 -11.068 1.00 63.11 N ATOM 1167 CA LEU A 74 -29.424 -2.396 -11.607 1.00 72.04 C ATOM 1168 C LEU A 74 -29.026 -3.691 -12.308 1.00 21.11 C ATOM 1169 O LEU A 74 -28.831 -3.717 -13.523 1.00 53.52 O ATOM 1170 CB LEU A 74 -30.166 -1.482 -12.584 1.00 12.10 C ATOM 1171 CG LEU A 74 -31.465 -0.862 -12.068 1.00 73.10 C ATOM 1172 CD1 LEU A 74 -31.168 0.265 -11.091 1.00 41.13 C ATOM 1173 CD2 LEU A 74 -32.312 -0.357 -13.227 1.00 11.51 C ATOM 0 H LEU A 74 -28.243 -1.634 -10.051 1.00 63.11 H new ATOM 0 HA LEU A 74 -30.084 -2.643 -10.776 1.00 72.04 H new ATOM 0 HB2 LEU A 74 -29.494 -0.676 -12.878 1.00 12.10 H new ATOM 0 HB3 LEU A 74 -30.392 -2.053 -13.484 1.00 12.10 H new ATOM 0 HG LEU A 74 -32.028 -1.632 -11.541 1.00 73.10 H new ATOM 0 HD11 LEU A 74 -32.105 0.694 -10.735 1.00 41.13 H new ATOM 0 HD12 LEU A 74 -30.603 -0.126 -10.245 1.00 41.13 H new ATOM 0 HD13 LEU A 74 -30.583 1.036 -11.592 1.00 41.13 H new ATOM 0 HD21 LEU A 74 -33.233 0.081 -12.841 1.00 11.51 H new ATOM 0 HD22 LEU A 74 -31.756 0.398 -13.782 1.00 11.51 H new ATOM 0 HD23 LEU A 74 -32.555 -1.188 -13.889 1.00 11.51 H new ATOM 1185 N ARG A 75 -28.909 -4.765 -11.533 1.00 45.34 N ATOM 1186 CA ARG A 75 -28.535 -6.064 -12.080 1.00 3.33 C ATOM 1187 C ARG A 75 -29.114 -7.195 -11.236 1.00 22.51 C ATOM 1188 O ARG A 75 -29.867 -6.957 -10.292 1.00 45.32 O ATOM 1189 CB ARG A 75 -27.012 -6.193 -12.149 1.00 1.50 C ATOM 1190 CG ARG A 75 -26.399 -5.520 -13.366 1.00 65.45 C ATOM 1191 CD ARG A 75 -25.603 -4.284 -12.979 1.00 12.34 C ATOM 1192 NE ARG A 75 -24.686 -3.869 -14.036 1.00 43.04 N ATOM 1193 CZ ARG A 75 -23.624 -3.099 -13.828 1.00 4.01 C ATOM 1194 NH1 ARG A 75 -23.346 -2.663 -12.607 1.00 14.41 N ATOM 1195 NH2 ARG A 75 -22.836 -2.764 -14.842 1.00 22.32 N ATOM 0 H ARG A 75 -29.068 -4.761 -10.525 1.00 45.34 H new ATOM 0 HA ARG A 75 -28.945 -6.138 -13.087 1.00 3.33 H new ATOM 0 HB2 ARG A 75 -26.578 -5.760 -11.248 1.00 1.50 H new ATOM 0 HB3 ARG A 75 -26.745 -7.250 -12.156 1.00 1.50 H new ATOM 0 HG2 ARG A 75 -25.749 -6.225 -13.884 1.00 65.45 H new ATOM 0 HG3 ARG A 75 -27.188 -5.242 -14.065 1.00 65.45 H new ATOM 0 HD2 ARG A 75 -26.289 -3.467 -12.753 1.00 12.34 H new ATOM 0 HD3 ARG A 75 -25.039 -4.487 -12.069 1.00 12.34 H new ATOM 0 HE ARG A 75 -24.871 -4.188 -14.987 1.00 43.04 H new ATOM 0 HH11 ARG A 75 -23.948 -2.919 -11.825 1.00 14.41 H new ATOM 0 HH12 ARG A 75 -22.530 -2.072 -12.450 1.00 14.41 H new ATOM 0 HH21 ARG A 75 -23.046 -3.098 -15.783 1.00 22.32 H new ATOM 0 HH22 ARG A 75 -22.021 -2.173 -14.681 1.00 22.32 H new ATOM 1209 N ALA A 76 -28.757 -8.428 -11.583 1.00 53.34 N ATOM 1210 CA ALA A 76 -29.240 -9.596 -10.857 1.00 50.15 C ATOM 1211 C ALA A 76 -28.085 -10.369 -10.230 1.00 44.34 C ATOM 1212 O ALA A 76 -28.296 -11.297 -9.451 1.00 72.15 O ATOM 1213 CB ALA A 76 -30.041 -10.499 -11.784 1.00 24.32 C ATOM 0 H ALA A 76 -28.135 -8.643 -12.362 1.00 53.34 H new ATOM 0 HA ALA A 76 -29.890 -9.251 -10.053 1.00 50.15 H new ATOM 0 HB1 ALA A 76 -30.396 -11.367 -11.229 1.00 24.32 H new ATOM 0 HB2 ALA A 76 -30.894 -9.948 -12.180 1.00 24.32 H new ATOM 0 HB3 ALA A 76 -29.408 -10.829 -12.608 1.00 24.32 H new ATOM 1219 N GLY A 77 -26.861 -9.979 -10.576 1.00 72.22 N ATOM 1220 CA GLY A 77 -25.690 -10.647 -10.038 1.00 53.04 C ATOM 1221 C GLY A 77 -25.138 -9.950 -8.811 1.00 43.42 C ATOM 1222 O GLY A 77 -23.946 -10.048 -8.517 1.00 43.12 O ATOM 0 H GLY A 77 -26.660 -9.213 -11.219 1.00 72.22 H new ATOM 0 HA2 GLY A 77 -25.947 -11.675 -9.783 1.00 53.04 H new ATOM 0 HA3 GLY A 77 -24.917 -10.692 -10.805 1.00 53.04 H new ATOM 1226 N CYS A 78 -26.004 -9.242 -8.094 1.00 60.44 N ATOM 1227 CA CYS A 78 -25.595 -8.523 -6.893 1.00 71.21 C ATOM 1228 C CYS A 78 -25.029 -9.483 -5.851 1.00 42.54 C ATOM 1229 O CYS A 78 -23.824 -9.501 -5.600 1.00 73.14 O ATOM 1230 CB CYS A 78 -26.780 -7.755 -6.306 1.00 3.43 C ATOM 1231 SG CYS A 78 -26.351 -6.698 -4.902 1.00 74.13 S ATOM 0 H CYS A 78 -26.994 -9.151 -8.324 1.00 60.44 H new ATOM 0 HA CYS A 78 -24.814 -7.815 -7.171 1.00 71.21 H new ATOM 0 HB2 CYS A 78 -27.224 -7.139 -7.088 1.00 3.43 H new ATOM 0 HB3 CYS A 78 -27.542 -8.468 -5.991 1.00 3.43 H new ATOM 0 HG CYS A 78 -27.417 -6.088 -4.476 1.00 74.13 H new TER 1237 CYS A 78