USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 796 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 84 HIS : no HD1:sc= 1.59 K(o=2.9,f=-6.5!) USER MOD Set 1.2: A 86 THR OG1 : rot -92:sc= 1.29 USER MOD Set 2.1: A 55 SER OG : rot -118:sc= 1.55 USER MOD Set 2.2: A 63 TYR OH : rot 180:sc= 0.0963 USER MOD Set 3.1: A 20 SER OG : rot -52:sc= 0.48 USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.44 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 135:sc= 0.0177 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00634 USER MOD Single : A 6 LYS NZ :NH3+ -165:sc=-0.00625 (180deg=-0.193) USER MOD Single : A 8 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.12) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 168:sc= 0.267 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.0383 X(o=-0.038,f=-0.038) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0283) USER MOD Single : A 21 ASN : amide:sc= -0.531 K(o=-0.53,f=-2.1) USER MOD Single : A 24 ASN : amide:sc= -0.503 K(o=-0.5,f=-3.9!) USER MOD Single : A 26 TYR OH : rot -43:sc= 1.05 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0188 USER MOD Single : A 31 HIS : no HE2:sc= -0.581 K(o=-0.58,f=-2.1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0277) USER MOD Single : A 42 ASN : amide:sc= 0.534 K(o=0.53,f=-0.057) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0.00727 K(o=0.0073,f=-1.6) USER MOD Single : A 52 SER OG : rot -40:sc= 0.46 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -74:sc= 0.378 USER MOD Single : A 66 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 TYR OH : rot 129:sc= 0.00638 USER MOD Single : A 68 THR OG1 : rot -120:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 36:sc= 0.766 USER MOD Single : A 83 ASN : amide:sc= -0.865 K(o=-0.87,f=-4.7!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -175:sc= 0 (180deg=-0.0297) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 2.487 -0.202 -2.756 1.00 75.44 N ATOM 2 CA MET A 0 1.604 -1.379 -2.817 1.00 65.21 C ATOM 3 C MET A 0 2.304 -2.620 -2.261 1.00 0.21 C ATOM 4 O MET A 0 3.502 -2.803 -2.472 1.00 32.54 O ATOM 5 CB MET A 0 1.115 -1.600 -4.258 1.00 42.52 C ATOM 6 CG MET A 0 0.227 -2.838 -4.444 1.00 11.30 C ATOM 7 SD MET A 0 -1.313 -2.843 -3.486 1.00 4.33 S ATOM 8 CE MET A 0 -1.944 -4.473 -3.962 1.00 23.22 C ATOM 0 H1 MET A 0 2.436 0.317 -3.656 1.00 75.44 H new ATOM 0 H2 MET A 0 2.183 0.420 -1.980 1.00 75.44 H new ATOM 0 H3 MET A 0 3.466 -0.511 -2.589 1.00 75.44 H new ATOM 0 HA MET A 0 0.732 -1.195 -2.189 1.00 65.21 H new ATOM 0 HB2 MET A 0 0.560 -0.719 -4.580 1.00 42.52 H new ATOM 0 HB3 MET A 0 1.982 -1.688 -4.913 1.00 42.52 H new ATOM 0 HG2 MET A 0 -0.023 -2.929 -5.501 1.00 11.30 H new ATOM 0 HG3 MET A 0 0.805 -3.722 -4.175 1.00 11.30 H new ATOM 0 HE1 MET A 0 -2.897 -4.654 -3.464 1.00 23.22 H new ATOM 0 HE2 MET A 0 -2.087 -4.507 -5.042 1.00 23.22 H new ATOM 0 HE3 MET A 0 -1.229 -5.241 -3.666 1.00 23.22 H new ATOM 20 N ILE A 1 1.537 -3.473 -1.570 1.00 24.44 N ATOM 21 CA ILE A 1 1.960 -4.795 -1.132 1.00 21.32 C ATOM 22 C ILE A 1 2.091 -5.712 -2.354 1.00 5.00 C ATOM 23 O ILE A 1 1.162 -6.432 -2.714 1.00 23.50 O ATOM 24 CB ILE A 1 1.008 -5.330 -0.037 1.00 0.14 C ATOM 25 CG1 ILE A 1 1.323 -6.782 0.357 1.00 22.43 C ATOM 26 CG2 ILE A 1 -0.490 -5.245 -0.384 1.00 44.15 C ATOM 27 CD1 ILE A 1 2.766 -6.989 0.823 1.00 23.44 C ATOM 0 H ILE A 1 0.580 -3.250 -1.296 1.00 24.44 H new ATOM 0 HA ILE A 1 2.944 -4.752 -0.665 1.00 21.32 H new ATOM 0 HB ILE A 1 1.196 -4.658 0.800 1.00 0.14 H new ATOM 0 HG12 ILE A 1 0.645 -7.089 1.153 1.00 22.43 H new ATOM 0 HG13 ILE A 1 1.128 -7.432 -0.496 1.00 22.43 H new ATOM 0 HG21 ILE A 1 -1.078 -5.643 0.443 1.00 44.15 H new ATOM 0 HG22 ILE A 1 -0.765 -4.205 -0.557 1.00 44.15 H new ATOM 0 HG23 ILE A 1 -0.689 -5.827 -1.284 1.00 44.15 H new ATOM 0 HD11 ILE A 1 2.917 -8.036 1.085 1.00 23.44 H new ATOM 0 HD12 ILE A 1 3.451 -6.713 0.021 1.00 23.44 H new ATOM 0 HD13 ILE A 1 2.960 -6.365 1.696 1.00 23.44 H new ATOM 39 N GLN A 2 3.258 -5.666 -3.006 1.00 14.24 N ATOM 40 CA GLN A 2 3.529 -6.426 -4.215 1.00 33.43 C ATOM 41 C GLN A 2 4.292 -7.698 -3.857 1.00 63.53 C ATOM 42 O GLN A 2 5.515 -7.755 -3.979 1.00 33.15 O ATOM 43 CB GLN A 2 4.308 -5.558 -5.212 1.00 21.22 C ATOM 44 CG GLN A 2 3.456 -4.392 -5.721 1.00 63.24 C ATOM 45 CD GLN A 2 4.267 -3.463 -6.616 1.00 74.22 C ATOM 46 OE1 GLN A 2 4.685 -2.390 -6.183 1.00 22.44 O ATOM 47 NE2 GLN A 2 4.491 -3.871 -7.868 1.00 62.24 N ATOM 0 H GLN A 2 4.044 -5.092 -2.700 1.00 14.24 H new ATOM 0 HA GLN A 2 2.592 -6.717 -4.690 1.00 33.43 H new ATOM 0 HB2 GLN A 2 5.208 -5.172 -4.735 1.00 21.22 H new ATOM 0 HB3 GLN A 2 4.631 -6.170 -6.054 1.00 21.22 H new ATOM 0 HG2 GLN A 2 2.600 -4.779 -6.275 1.00 63.24 H new ATOM 0 HG3 GLN A 2 3.061 -3.831 -4.874 1.00 63.24 H new ATOM 0 HE21 GLN A 2 4.125 -4.769 -8.185 1.00 62.24 H new ATOM 0 HE22 GLN A 2 5.028 -3.285 -8.507 1.00 62.24 H new ATOM 56 N ARG A 3 3.554 -8.724 -3.422 1.00 23.43 N ATOM 57 CA ARG A 3 4.107 -10.027 -3.091 1.00 54.31 C ATOM 58 C ARG A 3 4.343 -10.795 -4.390 1.00 0.34 C ATOM 59 O ARG A 3 3.478 -10.809 -5.265 1.00 22.41 O ATOM 60 CB ARG A 3 3.170 -10.815 -2.163 1.00 4.34 C ATOM 61 CG ARG A 3 2.667 -9.978 -0.983 1.00 62.53 C ATOM 62 CD ARG A 3 1.690 -10.742 -0.081 1.00 54.53 C ATOM 63 NE ARG A 3 2.365 -11.475 0.998 1.00 42.11 N ATOM 64 CZ ARG A 3 2.739 -12.765 0.966 1.00 20.40 C ATOM 65 NH1 ARG A 3 2.667 -13.487 -0.159 1.00 71.22 N ATOM 66 NH2 ARG A 3 3.192 -13.344 2.085 1.00 23.34 N ATOM 0 H ARG A 3 2.544 -8.665 -3.291 1.00 23.43 H new ATOM 0 HA ARG A 3 5.048 -9.893 -2.557 1.00 54.31 H new ATOM 0 HB2 ARG A 3 2.317 -11.177 -2.737 1.00 4.34 H new ATOM 0 HB3 ARG A 3 3.694 -11.692 -1.784 1.00 4.34 H new ATOM 0 HG2 ARG A 3 3.519 -9.648 -0.389 1.00 62.53 H new ATOM 0 HG3 ARG A 3 2.177 -9.082 -1.363 1.00 62.53 H new ATOM 0 HD2 ARG A 3 0.979 -10.040 0.353 1.00 54.53 H new ATOM 0 HD3 ARG A 3 1.116 -11.443 -0.687 1.00 54.53 H new ATOM 0 HE ARG A 3 2.569 -10.956 1.852 1.00 42.11 H new ATOM 0 HH11 ARG A 3 2.322 -13.059 -1.018 1.00 71.22 H new ATOM 0 HH12 ARG A 3 2.957 -14.465 -0.157 1.00 71.22 H new ATOM 0 HH21 ARG A 3 3.250 -12.806 2.950 1.00 23.34 H new ATOM 0 HH22 ARG A 3 3.479 -14.323 2.073 1.00 23.34 H new ATOM 80 N THR A 4 5.514 -11.424 -4.512 1.00 11.43 N ATOM 81 CA THR A 4 5.891 -12.208 -5.678 1.00 34.34 C ATOM 82 C THR A 4 5.401 -13.652 -5.513 1.00 21.31 C ATOM 83 O THR A 4 5.260 -14.120 -4.384 1.00 33.10 O ATOM 84 CB THR A 4 7.418 -12.170 -5.843 1.00 73.51 C ATOM 85 OG1 THR A 4 8.044 -12.605 -4.652 1.00 21.21 O ATOM 86 CG2 THR A 4 7.907 -10.762 -6.199 1.00 1.00 C ATOM 0 H THR A 4 6.234 -11.399 -3.790 1.00 11.43 H new ATOM 0 HA THR A 4 5.428 -11.787 -6.571 1.00 34.34 H new ATOM 0 HB THR A 4 7.683 -12.839 -6.662 1.00 73.51 H new ATOM 0 HG1 THR A 4 9.017 -12.580 -4.766 1.00 21.21 H new ATOM 0 HG21 THR A 4 8.991 -10.770 -6.308 1.00 1.00 H new ATOM 0 HG22 THR A 4 7.450 -10.444 -7.136 1.00 1.00 H new ATOM 0 HG23 THR A 4 7.628 -10.068 -5.406 1.00 1.00 H new ATOM 94 N PRO A 5 5.165 -14.378 -6.619 1.00 40.01 N ATOM 95 CA PRO A 5 4.830 -15.794 -6.590 1.00 53.41 C ATOM 96 C PRO A 5 5.999 -16.595 -6.013 1.00 40.01 C ATOM 97 O PRO A 5 7.065 -16.664 -6.623 1.00 2.03 O ATOM 98 CB PRO A 5 4.532 -16.184 -8.042 1.00 44.34 C ATOM 99 CG PRO A 5 5.253 -15.126 -8.876 1.00 4.13 C ATOM 100 CD PRO A 5 5.218 -13.887 -7.986 1.00 21.50 C ATOM 0 HA PRO A 5 3.969 -16.004 -5.955 1.00 53.41 H new ATOM 0 HB2 PRO A 5 4.899 -17.185 -8.268 1.00 44.34 H new ATOM 0 HB3 PRO A 5 3.460 -16.185 -8.241 1.00 44.34 H new ATOM 0 HG2 PRO A 5 6.275 -15.425 -9.107 1.00 4.13 H new ATOM 0 HG3 PRO A 5 4.749 -14.952 -9.827 1.00 4.13 H new ATOM 0 HD2 PRO A 5 6.101 -13.268 -8.144 1.00 21.50 H new ATOM 0 HD3 PRO A 5 4.350 -13.268 -8.212 1.00 21.50 H new ATOM 108 N LYS A 6 5.788 -17.196 -4.835 1.00 1.42 N ATOM 109 CA LYS A 6 6.762 -18.049 -4.174 1.00 73.31 C ATOM 110 C LYS A 6 6.685 -19.442 -4.800 1.00 25.33 C ATOM 111 O LYS A 6 5.622 -20.064 -4.804 1.00 73.21 O ATOM 112 CB LYS A 6 6.486 -18.054 -2.666 1.00 40.14 C ATOM 113 CG LYS A 6 7.411 -19.009 -1.903 1.00 52.15 C ATOM 114 CD LYS A 6 7.231 -18.868 -0.383 1.00 25.32 C ATOM 115 CE LYS A 6 7.905 -17.619 0.202 1.00 15.15 C ATOM 116 NZ LYS A 6 9.371 -17.673 0.066 1.00 11.34 N ATOM 0 H LYS A 6 4.918 -17.096 -4.312 1.00 1.42 H new ATOM 0 HA LYS A 6 7.778 -17.679 -4.309 1.00 73.31 H new ATOM 0 HB2 LYS A 6 6.609 -17.044 -2.274 1.00 40.14 H new ATOM 0 HB3 LYS A 6 5.449 -18.340 -2.491 1.00 40.14 H new ATOM 0 HG2 LYS A 6 7.203 -20.036 -2.202 1.00 52.15 H new ATOM 0 HG3 LYS A 6 8.448 -18.804 -2.169 1.00 52.15 H new ATOM 0 HD2 LYS A 6 6.166 -18.837 -0.153 1.00 25.32 H new ATOM 0 HD3 LYS A 6 7.638 -19.753 0.106 1.00 25.32 H new ATOM 0 HE2 LYS A 6 7.526 -16.731 -0.304 1.00 15.15 H new ATOM 0 HE3 LYS A 6 7.641 -17.523 1.255 1.00 15.15 H new ATOM 0 HZ1 LYS A 6 9.804 -16.957 0.683 1.00 11.34 H new ATOM 0 HZ2 LYS A 6 9.711 -18.617 0.340 1.00 11.34 H new ATOM 0 HZ3 LYS A 6 9.635 -17.484 -0.922 1.00 11.34 H new ATOM 130 N ILE A 7 7.813 -19.895 -5.360 1.00 51.35 N ATOM 131 CA ILE A 7 7.899 -21.082 -6.200 1.00 71.52 C ATOM 132 C ILE A 7 8.254 -22.319 -5.373 1.00 73.43 C ATOM 133 O ILE A 7 9.148 -22.269 -4.531 1.00 40.12 O ATOM 134 CB ILE A 7 8.903 -20.850 -7.347 1.00 42.45 C ATOM 135 CG1 ILE A 7 10.285 -20.357 -6.870 1.00 2.31 C ATOM 136 CG2 ILE A 7 8.300 -19.844 -8.338 1.00 5.51 C ATOM 137 CD1 ILE A 7 11.375 -20.580 -7.925 1.00 61.31 C ATOM 0 H ILE A 7 8.712 -19.429 -5.234 1.00 51.35 H new ATOM 0 HA ILE A 7 6.921 -21.268 -6.643 1.00 71.52 H new ATOM 0 HB ILE A 7 9.076 -21.815 -7.824 1.00 42.45 H new ATOM 0 HG12 ILE A 7 10.227 -19.296 -6.629 1.00 2.31 H new ATOM 0 HG13 ILE A 7 10.558 -20.878 -5.952 1.00 2.31 H new ATOM 0 HG21 ILE A 7 9.002 -19.672 -9.154 1.00 5.51 H new ATOM 0 HG22 ILE A 7 7.368 -20.242 -8.739 1.00 5.51 H new ATOM 0 HG23 ILE A 7 8.102 -18.903 -7.826 1.00 5.51 H new ATOM 0 HD11 ILE A 7 12.330 -20.217 -7.544 1.00 61.31 H new ATOM 0 HD12 ILE A 7 11.454 -21.644 -8.148 1.00 61.31 H new ATOM 0 HD13 ILE A 7 11.118 -20.037 -8.834 1.00 61.31 H new ATOM 149 N GLN A 8 7.546 -23.426 -5.625 1.00 21.42 N ATOM 150 CA GLN A 8 7.773 -24.727 -5.012 1.00 54.33 C ATOM 151 C GLN A 8 7.324 -25.787 -6.022 1.00 0.13 C ATOM 152 O GLN A 8 6.179 -26.227 -5.965 1.00 3.41 O ATOM 153 CB GLN A 8 6.969 -24.843 -3.703 1.00 4.32 C ATOM 154 CG GLN A 8 7.469 -23.988 -2.530 1.00 43.05 C ATOM 155 CD GLN A 8 8.914 -24.283 -2.128 1.00 34.31 C ATOM 156 OE1 GLN A 8 9.697 -23.361 -1.903 1.00 53.54 O ATOM 157 NE2 GLN A 8 9.273 -25.565 -2.023 1.00 61.51 N ATOM 0 H GLN A 8 6.771 -23.434 -6.288 1.00 21.42 H new ATOM 0 HA GLN A 8 8.825 -24.864 -4.762 1.00 54.33 H new ATOM 0 HB2 GLN A 8 5.934 -24.571 -3.910 1.00 4.32 H new ATOM 0 HB3 GLN A 8 6.968 -25.888 -3.391 1.00 4.32 H new ATOM 0 HG2 GLN A 8 7.383 -22.935 -2.797 1.00 43.05 H new ATOM 0 HG3 GLN A 8 6.821 -24.153 -1.669 1.00 43.05 H new ATOM 0 HE21 GLN A 8 8.595 -26.302 -2.218 1.00 61.51 H new ATOM 0 HE22 GLN A 8 10.225 -25.807 -1.748 1.00 61.51 H new ATOM 166 N VAL A 9 8.205 -26.150 -6.969 1.00 71.54 N ATOM 167 CA VAL A 9 7.859 -26.917 -8.166 1.00 20.41 C ATOM 168 C VAL A 9 8.475 -28.320 -8.119 1.00 3.01 C ATOM 169 O VAL A 9 9.512 -28.568 -8.727 1.00 40.45 O ATOM 170 CB VAL A 9 8.319 -26.141 -9.411 1.00 52.42 C ATOM 171 CG1 VAL A 9 7.748 -26.760 -10.694 1.00 53.05 C ATOM 172 CG2 VAL A 9 7.892 -24.667 -9.348 1.00 72.45 C ATOM 0 H VAL A 9 9.195 -25.911 -6.918 1.00 71.54 H new ATOM 0 HA VAL A 9 6.778 -27.048 -8.211 1.00 20.41 H new ATOM 0 HB VAL A 9 9.407 -26.200 -9.428 1.00 52.42 H new ATOM 0 HG11 VAL A 9 8.091 -26.189 -11.557 1.00 53.05 H new ATOM 0 HG12 VAL A 9 8.088 -27.792 -10.783 1.00 53.05 H new ATOM 0 HG13 VAL A 9 6.659 -26.739 -10.655 1.00 53.05 H new ATOM 0 HG21 VAL A 9 8.235 -24.150 -10.245 1.00 72.45 H new ATOM 0 HG22 VAL A 9 6.805 -24.605 -9.286 1.00 72.45 H new ATOM 0 HG23 VAL A 9 8.333 -24.198 -8.468 1.00 72.45 H new ATOM 182 N TYR A 10 7.824 -29.226 -7.387 1.00 43.13 N ATOM 183 CA TYR A 10 8.348 -30.549 -7.036 1.00 11.04 C ATOM 184 C TYR A 10 7.554 -31.689 -7.685 1.00 11.03 C ATOM 185 O TYR A 10 6.450 -31.478 -8.178 1.00 3.13 O ATOM 186 CB TYR A 10 8.366 -30.683 -5.505 1.00 20.11 C ATOM 187 CG TYR A 10 7.034 -30.467 -4.805 1.00 54.25 C ATOM 188 CD1 TYR A 10 6.633 -29.168 -4.440 1.00 75.44 C ATOM 189 CD2 TYR A 10 6.219 -31.565 -4.470 1.00 22.15 C ATOM 190 CE1 TYR A 10 5.396 -28.957 -3.810 1.00 63.25 C ATOM 191 CE2 TYR A 10 4.991 -31.357 -3.815 1.00 32.24 C ATOM 192 CZ TYR A 10 4.567 -30.052 -3.507 1.00 42.12 C ATOM 193 OH TYR A 10 3.349 -29.853 -2.923 1.00 0.05 O ATOM 0 H TYR A 10 6.891 -29.056 -7.011 1.00 43.13 H new ATOM 0 HA TYR A 10 9.362 -30.634 -7.427 1.00 11.04 H new ATOM 0 HB2 TYR A 10 8.731 -31.678 -5.251 1.00 20.11 H new ATOM 0 HB3 TYR A 10 9.085 -29.968 -5.105 1.00 20.11 H new ATOM 0 HD1 TYR A 10 7.281 -28.329 -4.646 1.00 75.44 H new ATOM 0 HD2 TYR A 10 6.536 -32.568 -4.716 1.00 22.15 H new ATOM 0 HE1 TYR A 10 5.081 -27.955 -3.558 1.00 63.25 H new ATOM 0 HE2 TYR A 10 4.373 -32.201 -3.548 1.00 32.24 H new ATOM 0 HH TYR A 10 2.908 -30.717 -2.785 1.00 0.05 H new ATOM 203 N SER A 11 8.117 -32.906 -7.662 1.00 5.14 N ATOM 204 CA SER A 11 7.470 -34.139 -8.097 1.00 2.23 C ATOM 205 C SER A 11 6.771 -34.812 -6.912 1.00 25.12 C ATOM 206 O SER A 11 7.323 -34.867 -5.814 1.00 5.05 O ATOM 207 CB SER A 11 8.515 -35.088 -8.700 1.00 2.31 C ATOM 208 OG SER A 11 9.620 -35.246 -7.834 1.00 2.52 O ATOM 0 H SER A 11 9.069 -33.057 -7.327 1.00 5.14 H new ATOM 0 HA SER A 11 6.724 -33.902 -8.855 1.00 2.23 H new ATOM 0 HB2 SER A 11 8.060 -36.059 -8.894 1.00 2.31 H new ATOM 0 HB3 SER A 11 8.854 -34.698 -9.660 1.00 2.31 H new ATOM 0 HG SER A 11 10.176 -35.990 -8.146 1.00 2.52 H new ATOM 214 N ARG A 12 5.566 -35.346 -7.145 1.00 75.21 N ATOM 215 CA ARG A 12 4.804 -36.099 -6.157 1.00 61.32 C ATOM 216 C ARG A 12 5.382 -37.510 -6.065 1.00 4.52 C ATOM 217 O ARG A 12 5.958 -37.877 -5.042 1.00 3.03 O ATOM 218 CB ARG A 12 3.315 -36.116 -6.538 1.00 21.53 C ATOM 219 CG ARG A 12 2.443 -36.800 -5.475 1.00 11.54 C ATOM 220 CD ARG A 12 0.967 -36.801 -5.892 1.00 72.31 C ATOM 221 NE ARG A 12 0.440 -35.436 -6.045 1.00 62.34 N ATOM 222 CZ ARG A 12 -0.749 -35.120 -6.589 1.00 1.21 C ATOM 223 NH1 ARG A 12 -1.579 -36.072 -7.037 1.00 20.30 N ATOM 224 NH2 ARG A 12 -1.112 -33.833 -6.683 1.00 71.53 N ATOM 0 H ARG A 12 5.090 -35.262 -8.043 1.00 75.21 H new ATOM 0 HA ARG A 12 4.880 -35.626 -5.178 1.00 61.32 H new ATOM 0 HB2 ARG A 12 2.969 -35.093 -6.683 1.00 21.53 H new ATOM 0 HB3 ARG A 12 3.193 -36.632 -7.490 1.00 21.53 H new ATOM 0 HG2 ARG A 12 2.783 -37.825 -5.325 1.00 11.54 H new ATOM 0 HG3 ARG A 12 2.555 -36.284 -4.521 1.00 11.54 H new ATOM 0 HD2 ARG A 12 0.856 -37.341 -6.832 1.00 72.31 H new ATOM 0 HD3 ARG A 12 0.379 -37.336 -5.146 1.00 72.31 H new ATOM 0 HE ARG A 12 1.023 -34.668 -5.712 1.00 62.34 H new ATOM 0 HH11 ARG A 12 -1.313 -37.054 -6.968 1.00 20.30 H new ATOM 0 HH12 ARG A 12 -2.477 -35.814 -7.447 1.00 20.30 H new ATOM 0 HH21 ARG A 12 -0.488 -33.101 -6.343 1.00 71.53 H new ATOM 0 HH22 ARG A 12 -2.012 -33.586 -7.094 1.00 71.53 H new ATOM 238 N HIS A 13 5.232 -38.288 -7.145 1.00 12.44 N ATOM 239 CA HIS A 13 5.791 -39.623 -7.278 1.00 54.01 C ATOM 240 C HIS A 13 7.195 -39.495 -7.885 1.00 33.41 C ATOM 241 O HIS A 13 7.430 -38.574 -8.667 1.00 42.22 O ATOM 242 CB HIS A 13 4.867 -40.467 -8.162 1.00 65.35 C ATOM 243 CG HIS A 13 3.470 -40.593 -7.614 1.00 21.51 C ATOM 244 ND1 HIS A 13 3.085 -41.618 -6.764 1.00 11.10 N ATOM 245 CD2 HIS A 13 2.347 -39.818 -7.779 1.00 32.15 C ATOM 246 CE1 HIS A 13 1.790 -41.421 -6.463 1.00 0.32 C ATOM 247 NE2 HIS A 13 1.280 -40.334 -7.049 1.00 45.55 N ATOM 0 H HIS A 13 4.704 -37.991 -7.966 1.00 12.44 H new ATOM 0 HA HIS A 13 5.871 -40.118 -6.310 1.00 54.01 H new ATOM 0 HB2 HIS A 13 4.821 -40.022 -9.156 1.00 65.35 H new ATOM 0 HB3 HIS A 13 5.296 -41.462 -8.277 1.00 65.35 H new ATOM 0 HD2 HIS A 13 2.299 -38.930 -8.392 1.00 32.15 H new ATOM 0 HE1 HIS A 13 1.222 -42.073 -5.816 1.00 0.32 H new ATOM 0 HE2 HIS A 13 0.331 -39.968 -6.978 1.00 45.55 H new ATOM 255 N PRO A 14 8.139 -40.380 -7.528 1.00 23.21 N ATOM 256 CA PRO A 14 9.536 -40.262 -7.923 1.00 20.31 C ATOM 257 C PRO A 14 9.717 -40.579 -9.411 1.00 51.04 C ATOM 258 O PRO A 14 9.353 -41.662 -9.865 1.00 14.30 O ATOM 259 CB PRO A 14 10.292 -41.250 -7.030 1.00 20.51 C ATOM 260 CG PRO A 14 9.246 -42.313 -6.698 1.00 32.40 C ATOM 261 CD PRO A 14 7.956 -41.498 -6.617 1.00 11.43 C ATOM 0 HA PRO A 14 9.914 -39.247 -7.796 1.00 20.31 H new ATOM 0 HB2 PRO A 14 11.150 -41.680 -7.546 1.00 20.51 H new ATOM 0 HB3 PRO A 14 10.671 -40.767 -6.130 1.00 20.51 H new ATOM 0 HG2 PRO A 14 9.192 -43.082 -7.468 1.00 32.40 H new ATOM 0 HG3 PRO A 14 9.466 -42.818 -5.758 1.00 32.40 H new ATOM 0 HD2 PRO A 14 7.094 -42.100 -6.904 1.00 11.43 H new ATOM 0 HD3 PRO A 14 7.777 -41.149 -5.600 1.00 11.43 H new ATOM 269 N ALA A 15 10.273 -39.622 -10.166 1.00 41.44 N ATOM 270 CA ALA A 15 10.528 -39.741 -11.597 1.00 43.41 C ATOM 271 C ALA A 15 11.884 -40.405 -11.852 1.00 33.35 C ATOM 272 O ALA A 15 12.788 -39.801 -12.428 1.00 35.33 O ATOM 273 CB ALA A 15 10.426 -38.360 -12.249 1.00 45.13 C ATOM 0 H ALA A 15 10.563 -38.722 -9.783 1.00 41.44 H new ATOM 0 HA ALA A 15 9.775 -40.384 -12.052 1.00 43.41 H new ATOM 0 HB1 ALA A 15 10.616 -38.448 -13.319 1.00 45.13 H new ATOM 0 HB2 ALA A 15 9.426 -37.956 -12.090 1.00 45.13 H new ATOM 0 HB3 ALA A 15 11.163 -37.692 -11.803 1.00 45.13 H new ATOM 279 N GLU A 16 12.001 -41.670 -11.436 1.00 0.03 N ATOM 280 CA GLU A 16 13.163 -42.515 -11.677 1.00 53.01 C ATOM 281 C GLU A 16 13.272 -42.889 -13.150 1.00 74.24 C ATOM 282 O GLU A 16 14.352 -42.852 -13.737 1.00 24.44 O ATOM 283 CB GLU A 16 13.060 -43.772 -10.807 1.00 0.11 C ATOM 284 CG GLU A 16 13.257 -43.431 -9.327 1.00 51.01 C ATOM 285 CD GLU A 16 12.909 -44.621 -8.442 1.00 43.01 C ATOM 286 OE1 GLU A 16 11.793 -44.604 -7.877 1.00 42.31 O ATOM 287 OE2 GLU A 16 13.757 -45.536 -8.355 1.00 13.11 O ATOM 0 H GLU A 16 11.267 -42.142 -10.908 1.00 0.03 H new ATOM 0 HA GLU A 16 14.065 -41.963 -11.412 1.00 53.01 H new ATOM 0 HB2 GLU A 16 12.086 -44.239 -10.950 1.00 0.11 H new ATOM 0 HB3 GLU A 16 13.810 -44.498 -11.120 1.00 0.11 H new ATOM 0 HG2 GLU A 16 14.291 -43.134 -9.153 1.00 51.01 H new ATOM 0 HG3 GLU A 16 12.631 -42.579 -9.060 1.00 51.01 H new ATOM 294 N ASN A 17 12.126 -43.264 -13.717 1.00 15.42 N ATOM 295 CA ASN A 17 11.958 -43.706 -15.094 1.00 2.12 C ATOM 296 C ASN A 17 10.703 -43.073 -15.696 1.00 41.01 C ATOM 297 O ASN A 17 9.975 -42.346 -15.020 1.00 75.22 O ATOM 298 CB ASN A 17 11.880 -45.240 -15.136 1.00 0.10 C ATOM 299 CG ASN A 17 13.138 -45.897 -14.571 1.00 53.35 C ATOM 300 OD1 ASN A 17 13.097 -46.510 -13.507 1.00 20.44 O ATOM 301 ND2 ASN A 17 14.259 -45.776 -15.287 1.00 13.32 N ATOM 0 H ASN A 17 11.247 -43.267 -13.199 1.00 15.42 H new ATOM 0 HA ASN A 17 12.815 -43.388 -15.688 1.00 2.12 H new ATOM 0 HB2 ASN A 17 11.011 -45.574 -14.568 1.00 0.10 H new ATOM 0 HB3 ASN A 17 11.733 -45.567 -16.165 1.00 0.10 H new ATOM 0 HD21 ASN A 17 15.125 -46.201 -14.955 1.00 13.32 H new ATOM 0 HD22 ASN A 17 14.249 -45.258 -16.166 1.00 13.32 H new ATOM 308 N GLY A 18 10.463 -43.353 -16.983 1.00 63.31 N ATOM 309 CA GLY A 18 9.352 -42.807 -17.740 1.00 14.53 C ATOM 310 C GLY A 18 8.022 -43.396 -17.268 1.00 22.41 C ATOM 311 O GLY A 18 7.667 -44.499 -17.682 1.00 63.23 O ATOM 0 H GLY A 18 11.054 -43.980 -17.530 1.00 63.31 H new ATOM 0 HA2 GLY A 18 9.332 -41.723 -17.631 1.00 14.53 H new ATOM 0 HA3 GLY A 18 9.491 -43.019 -18.800 1.00 14.53 H new ATOM 315 N LYS A 19 7.297 -42.676 -16.398 1.00 54.11 N ATOM 316 CA LYS A 19 6.056 -43.153 -15.803 1.00 40.21 C ATOM 317 C LYS A 19 5.256 -41.975 -15.244 1.00 1.14 C ATOM 318 O LYS A 19 5.821 -41.098 -14.595 1.00 74.32 O ATOM 319 CB LYS A 19 6.384 -44.179 -14.710 1.00 15.42 C ATOM 320 CG LYS A 19 5.135 -44.931 -14.237 1.00 32.33 C ATOM 321 CD LYS A 19 5.470 -45.965 -13.150 1.00 64.13 C ATOM 322 CE LYS A 19 6.538 -46.991 -13.557 1.00 32.45 C ATOM 323 NZ LYS A 19 6.223 -47.642 -14.840 1.00 5.23 N ATOM 0 H LYS A 19 7.564 -41.741 -16.091 1.00 54.11 H new ATOM 0 HA LYS A 19 5.441 -43.639 -16.561 1.00 40.21 H new ATOM 0 HB2 LYS A 19 7.115 -44.893 -15.090 1.00 15.42 H new ATOM 0 HB3 LYS A 19 6.845 -43.672 -13.862 1.00 15.42 H new ATOM 0 HG2 LYS A 19 4.407 -44.219 -13.849 1.00 32.33 H new ATOM 0 HG3 LYS A 19 4.670 -45.433 -15.085 1.00 32.33 H new ATOM 0 HD2 LYS A 19 5.810 -45.439 -12.258 1.00 64.13 H new ATOM 0 HD3 LYS A 19 4.558 -46.497 -12.878 1.00 64.13 H new ATOM 0 HE2 LYS A 19 7.506 -46.495 -13.631 1.00 32.45 H new ATOM 0 HE3 LYS A 19 6.626 -47.749 -12.779 1.00 32.45 H new ATOM 0 HZ1 LYS A 19 6.924 -48.385 -15.034 1.00 5.23 H new ATOM 0 HZ2 LYS A 19 5.274 -48.065 -14.791 1.00 5.23 H new ATOM 0 HZ3 LYS A 19 6.248 -46.936 -15.603 1.00 5.23 H new ATOM 337 N SER A 20 3.943 -41.971 -15.513 1.00 60.52 N ATOM 338 CA SER A 20 3.006 -40.906 -15.180 1.00 42.25 C ATOM 339 C SER A 20 3.019 -40.572 -13.688 1.00 33.13 C ATOM 340 O SER A 20 2.522 -41.346 -12.871 1.00 33.30 O ATOM 341 CB SER A 20 1.603 -41.318 -15.635 1.00 20.30 C ATOM 342 OG SER A 20 1.577 -41.462 -17.039 1.00 41.22 O ATOM 0 H SER A 20 3.491 -42.750 -15.991 1.00 60.52 H new ATOM 0 HA SER A 20 3.313 -40.000 -15.702 1.00 42.25 H new ATOM 0 HB2 SER A 20 1.318 -42.256 -15.159 1.00 20.30 H new ATOM 0 HB3 SER A 20 0.875 -40.568 -15.324 1.00 20.30 H new ATOM 0 HG SER A 20 1.929 -40.649 -17.458 1.00 41.22 H new ATOM 348 N ASN A 21 3.588 -39.408 -13.357 1.00 60.41 N ATOM 349 CA ASN A 21 3.697 -38.858 -12.011 1.00 4.42 C ATOM 350 C ASN A 21 3.046 -37.475 -12.004 1.00 73.23 C ATOM 351 O ASN A 21 2.880 -36.878 -13.063 1.00 12.05 O ATOM 352 CB ASN A 21 5.182 -38.737 -11.643 1.00 44.23 C ATOM 353 CG ASN A 21 5.903 -40.082 -11.547 1.00 0.33 C ATOM 354 OD1 ASN A 21 5.302 -41.149 -11.662 1.00 53.03 O ATOM 355 ND2 ASN A 21 7.211 -40.025 -11.308 1.00 51.42 N ATOM 0 H ASN A 21 4.004 -38.797 -14.060 1.00 60.41 H new ATOM 0 HA ASN A 21 3.199 -39.504 -11.288 1.00 4.42 H new ATOM 0 HB2 ASN A 21 5.683 -38.119 -12.388 1.00 44.23 H new ATOM 0 HB3 ASN A 21 5.270 -38.219 -10.688 1.00 44.23 H new ATOM 0 HD21 ASN A 21 7.750 -40.886 -11.214 1.00 51.42 H new ATOM 0 HD22 ASN A 21 7.674 -39.121 -11.219 1.00 51.42 H new ATOM 362 N PHE A 22 2.678 -36.959 -10.824 1.00 4.33 N ATOM 363 CA PHE A 22 2.057 -35.644 -10.702 1.00 1.11 C ATOM 364 C PHE A 22 3.095 -34.582 -10.347 1.00 20.14 C ATOM 365 O PHE A 22 3.788 -34.703 -9.340 1.00 61.32 O ATOM 366 CB PHE A 22 0.928 -35.674 -9.670 1.00 14.05 C ATOM 367 CG PHE A 22 -0.304 -36.433 -10.126 1.00 3.03 C ATOM 368 CD1 PHE A 22 -1.239 -35.803 -10.968 1.00 4.42 C ATOM 369 CD2 PHE A 22 -0.528 -37.758 -9.708 1.00 15.32 C ATOM 370 CE1 PHE A 22 -2.420 -36.469 -11.338 1.00 25.32 C ATOM 371 CE2 PHE A 22 -1.682 -38.444 -10.124 1.00 23.32 C ATOM 372 CZ PHE A 22 -2.632 -37.797 -10.932 1.00 14.32 C ATOM 0 H PHE A 22 2.804 -37.442 -9.935 1.00 4.33 H new ATOM 0 HA PHE A 22 1.626 -35.380 -11.668 1.00 1.11 H new ATOM 0 HB2 PHE A 22 1.301 -36.126 -8.751 1.00 14.05 H new ATOM 0 HB3 PHE A 22 0.643 -34.650 -9.429 1.00 14.05 H new ATOM 0 HD1 PHE A 22 -1.048 -34.804 -11.331 1.00 4.42 H new ATOM 0 HD2 PHE A 22 0.189 -38.249 -9.066 1.00 15.32 H new ATOM 0 HE1 PHE A 22 -3.164 -35.960 -11.934 1.00 25.32 H new ATOM 0 HE2 PHE A 22 -1.839 -39.469 -9.822 1.00 23.32 H new ATOM 0 HZ PHE A 22 -3.525 -38.320 -11.241 1.00 14.32 H new ATOM 382 N LEU A 23 3.174 -33.525 -11.164 1.00 2.11 N ATOM 383 CA LEU A 23 3.978 -32.341 -10.903 1.00 53.34 C ATOM 384 C LEU A 23 3.252 -31.530 -9.832 1.00 62.24 C ATOM 385 O LEU A 23 2.067 -31.757 -9.599 1.00 0.12 O ATOM 386 CB LEU A 23 4.135 -31.552 -12.216 1.00 61.24 C ATOM 387 CG LEU A 23 5.096 -30.351 -12.179 1.00 62.33 C ATOM 388 CD1 LEU A 23 6.508 -30.742 -11.735 1.00 0.55 C ATOM 389 CD2 LEU A 23 5.203 -29.745 -13.583 1.00 41.33 C ATOM 0 H LEU A 23 2.664 -33.475 -12.046 1.00 2.11 H new ATOM 0 HA LEU A 23 4.978 -32.589 -10.546 1.00 53.34 H new ATOM 0 HB2 LEU A 23 4.477 -32.240 -12.990 1.00 61.24 H new ATOM 0 HB3 LEU A 23 3.151 -31.194 -12.520 1.00 61.24 H new ATOM 0 HG LEU A 23 4.689 -29.641 -11.459 1.00 62.33 H new ATOM 0 HD11 LEU A 23 7.145 -29.857 -11.727 1.00 0.55 H new ATOM 0 HD12 LEU A 23 6.469 -31.171 -10.734 1.00 0.55 H new ATOM 0 HD13 LEU A 23 6.917 -31.477 -12.428 1.00 0.55 H new ATOM 0 HD21 LEU A 23 5.883 -28.894 -13.561 1.00 41.33 H new ATOM 0 HD22 LEU A 23 5.584 -30.496 -14.275 1.00 41.33 H new ATOM 0 HD23 LEU A 23 4.218 -29.414 -13.912 1.00 41.33 H new ATOM 401 N ASN A 24 3.944 -30.611 -9.154 1.00 14.52 N ATOM 402 CA ASN A 24 3.351 -29.831 -8.080 1.00 40.25 C ATOM 403 C ASN A 24 3.908 -28.416 -8.118 1.00 3.00 C ATOM 404 O ASN A 24 4.677 -28.045 -7.236 1.00 15.15 O ATOM 405 CB ASN A 24 3.654 -30.491 -6.730 1.00 71.11 C ATOM 406 CG ASN A 24 3.190 -31.941 -6.648 1.00 43.12 C ATOM 407 OD1 ASN A 24 4.018 -32.841 -6.556 1.00 22.30 O ATOM 408 ND2 ASN A 24 1.875 -32.171 -6.680 1.00 31.21 N ATOM 0 H ASN A 24 4.923 -30.392 -9.337 1.00 14.52 H new ATOM 0 HA ASN A 24 2.270 -29.790 -8.210 1.00 40.25 H new ATOM 0 HB2 ASN A 24 4.728 -30.450 -6.547 1.00 71.11 H new ATOM 0 HB3 ASN A 24 3.173 -29.918 -5.937 1.00 71.11 H new ATOM 0 HD21 ASN A 24 1.523 -33.127 -6.627 1.00 31.21 H new ATOM 0 HD22 ASN A 24 1.223 -31.391 -6.757 1.00 31.21 H new ATOM 415 N CYS A 25 3.497 -27.618 -9.112 1.00 20.32 N ATOM 416 CA CYS A 25 3.828 -26.200 -9.143 1.00 54.13 C ATOM 417 C CYS A 25 2.932 -25.473 -8.143 1.00 13.40 C ATOM 418 O CYS A 25 1.825 -25.052 -8.475 1.00 3.23 O ATOM 419 CB CYS A 25 3.748 -25.635 -10.566 1.00 53.12 C ATOM 420 SG CYS A 25 4.344 -23.924 -10.679 1.00 51.31 S ATOM 0 H CYS A 25 2.935 -27.936 -9.902 1.00 20.32 H new ATOM 0 HA CYS A 25 4.864 -26.046 -8.842 1.00 54.13 H new ATOM 0 HB2 CYS A 25 4.335 -26.264 -11.235 1.00 53.12 H new ATOM 0 HB3 CYS A 25 2.715 -25.679 -10.912 1.00 53.12 H new ATOM 425 N TYR A 26 3.417 -25.372 -6.899 1.00 14.43 N ATOM 426 CA TYR A 26 2.691 -24.820 -5.770 1.00 13.25 C ATOM 427 C TYR A 26 3.019 -23.332 -5.644 1.00 14.20 C ATOM 428 O TYR A 26 3.998 -22.957 -4.998 1.00 75.34 O ATOM 429 CB TYR A 26 3.036 -25.628 -4.513 1.00 32.43 C ATOM 430 CG TYR A 26 2.262 -25.226 -3.275 1.00 52.44 C ATOM 431 CD1 TYR A 26 0.926 -25.637 -3.131 1.00 52.11 C ATOM 432 CD2 TYR A 26 2.874 -24.474 -2.254 1.00 51.04 C ATOM 433 CE1 TYR A 26 0.208 -25.320 -1.968 1.00 22.54 C ATOM 434 CE2 TYR A 26 2.149 -24.138 -1.096 1.00 4.02 C ATOM 435 CZ TYR A 26 0.817 -24.567 -0.950 1.00 45.45 C ATOM 436 OH TYR A 26 0.116 -24.260 0.180 1.00 24.24 O ATOM 0 H TYR A 26 4.356 -25.685 -6.653 1.00 14.43 H new ATOM 0 HA TYR A 26 1.613 -24.896 -5.912 1.00 13.25 H new ATOM 0 HB2 TYR A 26 2.853 -26.684 -4.714 1.00 32.43 H new ATOM 0 HB3 TYR A 26 4.102 -25.522 -4.310 1.00 32.43 H new ATOM 0 HD1 TYR A 26 0.449 -26.200 -3.920 1.00 52.11 H new ATOM 0 HD2 TYR A 26 3.900 -24.155 -2.360 1.00 51.04 H new ATOM 0 HE1 TYR A 26 -0.813 -25.655 -1.855 1.00 22.54 H new ATOM 0 HE2 TYR A 26 2.615 -23.551 -0.319 1.00 4.02 H new ATOM 0 HH TYR A 26 -0.791 -23.981 -0.064 1.00 24.24 H new ATOM 446 N VAL A 27 2.208 -22.494 -6.300 1.00 12.20 N ATOM 447 CA VAL A 27 2.467 -21.071 -6.460 1.00 14.12 C ATOM 448 C VAL A 27 1.708 -20.300 -5.384 1.00 63.32 C ATOM 449 O VAL A 27 0.504 -20.082 -5.509 1.00 41.25 O ATOM 450 CB VAL A 27 2.081 -20.631 -7.883 1.00 1.14 C ATOM 451 CG1 VAL A 27 2.479 -19.170 -8.107 1.00 54.23 C ATOM 452 CG2 VAL A 27 2.802 -21.491 -8.927 1.00 13.32 C ATOM 0 H VAL A 27 1.339 -22.798 -6.740 1.00 12.20 H new ATOM 0 HA VAL A 27 3.528 -20.857 -6.334 1.00 14.12 H new ATOM 0 HB VAL A 27 1.003 -20.749 -7.990 1.00 1.14 H new ATOM 0 HG11 VAL A 27 2.202 -18.868 -9.117 1.00 54.23 H new ATOM 0 HG12 VAL A 27 1.963 -18.537 -7.385 1.00 54.23 H new ATOM 0 HG13 VAL A 27 3.556 -19.063 -7.979 1.00 54.23 H new ATOM 0 HG21 VAL A 27 2.516 -21.165 -9.927 1.00 13.32 H new ATOM 0 HG22 VAL A 27 3.880 -21.384 -8.805 1.00 13.32 H new ATOM 0 HG23 VAL A 27 2.523 -22.536 -8.793 1.00 13.32 H new ATOM 462 N SER A 28 2.422 -19.912 -4.321 1.00 60.51 N ATOM 463 CA SER A 28 1.845 -19.287 -3.141 1.00 71.43 C ATOM 464 C SER A 28 2.120 -17.782 -3.083 1.00 72.35 C ATOM 465 O SER A 28 3.256 -17.342 -3.250 1.00 61.11 O ATOM 466 CB SER A 28 2.346 -20.010 -1.883 1.00 74.14 C ATOM 467 OG SER A 28 3.754 -20.094 -1.853 1.00 52.21 O ATOM 0 H SER A 28 3.434 -20.029 -4.263 1.00 60.51 H new ATOM 0 HA SER A 28 0.761 -19.386 -3.197 1.00 71.43 H new ATOM 0 HB2 SER A 28 1.994 -19.483 -0.996 1.00 74.14 H new ATOM 0 HB3 SER A 28 1.921 -21.013 -1.847 1.00 74.14 H new ATOM 0 HG SER A 28 4.037 -20.559 -1.038 1.00 52.21 H new ATOM 473 N GLY A 29 1.074 -17.003 -2.780 1.00 34.12 N ATOM 474 CA GLY A 29 1.202 -15.655 -2.253 1.00 52.04 C ATOM 475 C GLY A 29 1.665 -14.621 -3.279 1.00 12.41 C ATOM 476 O GLY A 29 2.603 -13.872 -3.014 1.00 3.32 O ATOM 0 H GLY A 29 0.106 -17.303 -2.899 1.00 34.12 H new ATOM 0 HA2 GLY A 29 0.239 -15.343 -1.848 1.00 52.04 H new ATOM 0 HA3 GLY A 29 1.908 -15.667 -1.423 1.00 52.04 H new ATOM 480 N PHE A 30 0.988 -14.560 -4.430 1.00 5.33 N ATOM 481 CA PHE A 30 1.221 -13.564 -5.470 1.00 62.15 C ATOM 482 C PHE A 30 0.163 -12.471 -5.373 1.00 12.51 C ATOM 483 O PHE A 30 -1.018 -12.736 -5.578 1.00 74.32 O ATOM 484 CB PHE A 30 1.192 -14.214 -6.857 1.00 32.15 C ATOM 485 CG PHE A 30 0.016 -15.133 -7.117 1.00 14.24 C ATOM 486 CD1 PHE A 30 -1.151 -14.639 -7.731 1.00 41.01 C ATOM 487 CD2 PHE A 30 0.049 -16.457 -6.644 1.00 22.14 C ATOM 488 CE1 PHE A 30 -2.314 -15.424 -7.758 1.00 71.53 C ATOM 489 CE2 PHE A 30 -1.101 -17.255 -6.714 1.00 4.03 C ATOM 490 CZ PHE A 30 -2.293 -16.721 -7.229 1.00 22.50 C ATOM 0 H PHE A 30 0.246 -15.219 -4.666 1.00 5.33 H new ATOM 0 HA PHE A 30 2.207 -13.123 -5.325 1.00 62.15 H new ATOM 0 HB2 PHE A 30 1.189 -13.426 -7.610 1.00 32.15 H new ATOM 0 HB3 PHE A 30 2.113 -14.782 -6.993 1.00 32.15 H new ATOM 0 HD1 PHE A 30 -1.151 -13.657 -8.181 1.00 41.01 H new ATOM 0 HD2 PHE A 30 0.961 -16.859 -6.227 1.00 22.14 H new ATOM 0 HE1 PHE A 30 -3.224 -15.029 -8.186 1.00 71.53 H new ATOM 0 HE2 PHE A 30 -1.070 -18.279 -6.372 1.00 4.03 H new ATOM 0 HZ PHE A 30 -3.197 -17.312 -7.217 1.00 22.50 H new ATOM 500 N HIS A 31 0.584 -11.249 -5.042 1.00 52.02 N ATOM 501 CA HIS A 31 -0.311 -10.101 -4.948 1.00 43.22 C ATOM 502 C HIS A 31 0.050 -9.084 -6.032 1.00 22.15 C ATOM 503 O HIS A 31 1.218 -8.708 -6.132 1.00 24.22 O ATOM 504 CB HIS A 31 -0.236 -9.469 -3.557 1.00 44.41 C ATOM 505 CG HIS A 31 -1.015 -10.240 -2.524 1.00 51.01 C ATOM 506 ND1 HIS A 31 -1.918 -9.620 -1.678 1.00 51.45 N ATOM 507 CD2 HIS A 31 -1.103 -11.580 -2.231 1.00 42.31 C ATOM 508 CE1 HIS A 31 -2.513 -10.583 -0.958 1.00 60.31 C ATOM 509 NE2 HIS A 31 -2.054 -11.803 -1.242 1.00 34.33 N ATOM 0 H HIS A 31 1.558 -11.030 -4.832 1.00 52.02 H new ATOM 0 HA HIS A 31 -1.337 -10.433 -5.104 1.00 43.22 H new ATOM 0 HB2 HIS A 31 0.807 -9.406 -3.247 1.00 44.41 H new ATOM 0 HB3 HIS A 31 -0.616 -8.449 -3.605 1.00 44.41 H new ATOM 0 HD1 HIS A 31 -2.098 -8.618 -1.614 1.00 51.45 H new ATOM 0 HD2 HIS A 31 -0.515 -12.353 -2.704 1.00 42.31 H new ATOM 0 HE1 HIS A 31 -3.283 -10.391 -0.225 1.00 60.31 H new ATOM 517 N PRO A 32 -0.918 -8.623 -6.841 1.00 32.52 N ATOM 518 CA PRO A 32 -2.335 -8.969 -6.802 1.00 1.15 C ATOM 519 C PRO A 32 -2.578 -10.357 -7.412 1.00 0.03 C ATOM 520 O PRO A 32 -1.637 -11.048 -7.790 1.00 73.52 O ATOM 521 CB PRO A 32 -3.017 -7.864 -7.609 1.00 32.24 C ATOM 522 CG PRO A 32 -1.975 -7.556 -8.682 1.00 2.14 C ATOM 523 CD PRO A 32 -0.670 -7.650 -7.890 1.00 15.14 C ATOM 0 HA PRO A 32 -2.726 -9.029 -5.786 1.00 1.15 H new ATOM 0 HB2 PRO A 32 -3.960 -8.199 -8.042 1.00 32.24 H new ATOM 0 HB3 PRO A 32 -3.240 -6.991 -6.996 1.00 32.24 H new ATOM 0 HG2 PRO A 32 -2.008 -8.274 -9.502 1.00 2.14 H new ATOM 0 HG3 PRO A 32 -2.118 -6.567 -9.118 1.00 2.14 H new ATOM 0 HD2 PRO A 32 0.155 -7.965 -8.530 1.00 15.14 H new ATOM 0 HD3 PRO A 32 -0.396 -6.682 -7.470 1.00 15.14 H new ATOM 531 N SER A 33 -3.848 -10.770 -7.502 1.00 11.03 N ATOM 532 CA SER A 33 -4.249 -12.104 -7.938 1.00 32.40 C ATOM 533 C SER A 33 -4.154 -12.330 -9.458 1.00 53.43 C ATOM 534 O SER A 33 -4.643 -13.351 -9.941 1.00 33.52 O ATOM 535 CB SER A 33 -5.680 -12.365 -7.445 1.00 64.43 C ATOM 536 OG SER A 33 -6.564 -11.419 -8.007 1.00 31.13 O ATOM 0 H SER A 33 -4.639 -10.170 -7.268 1.00 11.03 H new ATOM 0 HA SER A 33 -3.544 -12.812 -7.502 1.00 32.40 H new ATOM 0 HB2 SER A 33 -5.990 -13.373 -7.720 1.00 64.43 H new ATOM 0 HB3 SER A 33 -5.715 -12.306 -6.357 1.00 64.43 H new ATOM 0 HG SER A 33 -7.475 -11.593 -7.689 1.00 31.13 H new ATOM 542 N ASP A 34 -3.556 -11.403 -10.222 1.00 2.14 N ATOM 543 CA ASP A 34 -3.605 -11.406 -11.683 1.00 0.51 C ATOM 544 C ASP A 34 -2.437 -12.205 -12.279 1.00 52.52 C ATOM 545 O ASP A 34 -1.585 -11.642 -12.966 1.00 0.21 O ATOM 546 CB ASP A 34 -3.645 -9.947 -12.168 1.00 54.04 C ATOM 547 CG ASP A 34 -3.935 -9.833 -13.665 1.00 35.40 C ATOM 548 OD1 ASP A 34 -3.032 -9.362 -14.390 1.00 33.31 O ATOM 549 OD2 ASP A 34 -5.061 -10.210 -14.056 1.00 72.14 O ATOM 0 H ASP A 34 -3.021 -10.625 -9.835 1.00 2.14 H new ATOM 0 HA ASP A 34 -4.506 -11.911 -12.030 1.00 0.51 H new ATOM 0 HB2 ASP A 34 -4.409 -9.404 -11.611 1.00 54.04 H new ATOM 0 HB3 ASP A 34 -2.690 -9.469 -11.949 1.00 54.04 H new ATOM 554 N ILE A 35 -2.400 -13.517 -12.003 1.00 42.42 N ATOM 555 CA ILE A 35 -1.327 -14.417 -12.428 1.00 11.50 C ATOM 556 C ILE A 35 -1.758 -15.278 -13.618 1.00 65.34 C ATOM 557 O ILE A 35 -2.950 -15.444 -13.872 1.00 41.43 O ATOM 558 CB ILE A 35 -0.858 -15.277 -11.236 1.00 20.35 C ATOM 559 CG1 ILE A 35 0.545 -15.856 -11.488 1.00 61.21 C ATOM 560 CG2 ILE A 35 -1.881 -16.376 -10.906 1.00 0.50 C ATOM 561 CD1 ILE A 35 1.196 -16.390 -10.212 1.00 24.44 C ATOM 0 H ILE A 35 -3.130 -13.987 -11.468 1.00 42.42 H new ATOM 0 HA ILE A 35 -0.483 -13.817 -12.767 1.00 11.50 H new ATOM 0 HB ILE A 35 -0.788 -14.630 -10.361 1.00 20.35 H new ATOM 0 HG12 ILE A 35 0.476 -16.660 -12.221 1.00 61.21 H new ATOM 0 HG13 ILE A 35 1.181 -15.084 -11.921 1.00 61.21 H new ATOM 0 HG21 ILE A 35 -1.522 -16.965 -10.062 1.00 0.50 H new ATOM 0 HG22 ILE A 35 -2.836 -15.918 -10.649 1.00 0.50 H new ATOM 0 HG23 ILE A 35 -2.010 -17.025 -11.772 1.00 0.50 H new ATOM 0 HD11 ILE A 35 2.184 -16.787 -10.446 1.00 24.44 H new ATOM 0 HD12 ILE A 35 1.292 -15.582 -9.487 1.00 24.44 H new ATOM 0 HD13 ILE A 35 0.577 -17.183 -9.792 1.00 24.44 H new ATOM 573 N GLU A 36 -0.771 -15.841 -14.326 1.00 71.12 N ATOM 574 CA GLU A 36 -0.948 -16.708 -15.478 1.00 13.22 C ATOM 575 C GLU A 36 0.100 -17.823 -15.406 1.00 0.34 C ATOM 576 O GLU A 36 1.172 -17.729 -16.004 1.00 53.02 O ATOM 577 CB GLU A 36 -0.798 -15.879 -16.754 1.00 23.43 C ATOM 578 CG GLU A 36 -1.870 -14.790 -16.892 1.00 22.10 C ATOM 579 CD GLU A 36 -1.759 -14.072 -18.234 1.00 54.01 C ATOM 580 OE1 GLU A 36 -0.815 -13.264 -18.371 1.00 44.12 O ATOM 581 OE2 GLU A 36 -2.615 -14.348 -19.103 1.00 51.34 O ATOM 0 H GLU A 36 0.211 -15.693 -14.095 1.00 71.12 H new ATOM 0 HA GLU A 36 -1.940 -17.159 -15.484 1.00 13.22 H new ATOM 0 HB2 GLU A 36 0.188 -15.414 -16.765 1.00 23.43 H new ATOM 0 HB3 GLU A 36 -0.847 -16.541 -17.619 1.00 23.43 H new ATOM 0 HG2 GLU A 36 -2.860 -15.236 -16.796 1.00 22.10 H new ATOM 0 HG3 GLU A 36 -1.766 -14.069 -16.081 1.00 22.10 H new ATOM 588 N VAL A 37 -0.222 -18.877 -14.648 1.00 24.12 N ATOM 589 CA VAL A 37 0.634 -20.038 -14.430 1.00 31.30 C ATOM 590 C VAL A 37 0.327 -21.090 -15.498 1.00 33.32 C ATOM 591 O VAL A 37 -0.360 -22.080 -15.244 1.00 3.31 O ATOM 592 CB VAL A 37 0.447 -20.587 -13.007 1.00 63.53 C ATOM 593 CG1 VAL A 37 1.499 -21.661 -12.707 1.00 4.14 C ATOM 594 CG2 VAL A 37 0.583 -19.481 -11.955 1.00 4.10 C ATOM 0 H VAL A 37 -1.113 -18.943 -14.157 1.00 24.12 H new ATOM 0 HA VAL A 37 1.682 -19.751 -14.521 1.00 31.30 H new ATOM 0 HB VAL A 37 -0.556 -21.010 -12.958 1.00 63.53 H new ATOM 0 HG11 VAL A 37 1.354 -22.040 -11.695 1.00 4.14 H new ATOM 0 HG12 VAL A 37 1.397 -22.479 -13.420 1.00 4.14 H new ATOM 0 HG13 VAL A 37 2.496 -21.228 -12.792 1.00 4.14 H new ATOM 0 HG21 VAL A 37 0.445 -19.906 -10.961 1.00 4.10 H new ATOM 0 HG22 VAL A 37 1.574 -19.033 -12.024 1.00 4.10 H new ATOM 0 HG23 VAL A 37 -0.173 -18.716 -12.131 1.00 4.10 H new ATOM 604 N ASP A 38 0.837 -20.850 -16.706 1.00 33.32 N ATOM 605 CA ASP A 38 0.564 -21.647 -17.895 1.00 3.00 C ATOM 606 C ASP A 38 1.669 -22.684 -18.073 1.00 20.22 C ATOM 607 O ASP A 38 2.414 -22.637 -19.050 1.00 14.20 O ATOM 608 CB ASP A 38 0.450 -20.720 -19.114 1.00 11.40 C ATOM 609 CG ASP A 38 -0.852 -19.923 -19.112 1.00 44.12 C ATOM 610 OD1 ASP A 38 -1.045 -19.138 -18.159 1.00 74.54 O ATOM 611 OD2 ASP A 38 -1.635 -20.115 -20.069 1.00 33.23 O ATOM 0 H ASP A 38 1.470 -20.071 -16.886 1.00 33.32 H new ATOM 0 HA ASP A 38 -0.381 -22.179 -17.788 1.00 3.00 H new ATOM 0 HB2 ASP A 38 1.295 -20.032 -19.125 1.00 11.40 H new ATOM 0 HB3 ASP A 38 0.510 -21.313 -20.026 1.00 11.40 H new ATOM 616 N LEU A 39 1.772 -23.622 -17.123 1.00 24.42 N ATOM 617 CA LEU A 39 2.798 -24.654 -17.122 1.00 15.23 C ATOM 618 C LEU A 39 2.811 -25.472 -18.412 1.00 44.23 C ATOM 619 O LEU A 39 1.782 -25.630 -19.070 1.00 24.24 O ATOM 620 CB LEU A 39 2.693 -25.550 -15.886 1.00 75.15 C ATOM 621 CG LEU A 39 1.410 -26.394 -15.813 1.00 21.20 C ATOM 622 CD1 LEU A 39 1.659 -27.552 -14.840 1.00 33.54 C ATOM 623 CD2 LEU A 39 0.181 -25.606 -15.336 1.00 40.22 C ATOM 0 H LEU A 39 1.135 -23.680 -16.328 1.00 24.42 H new ATOM 0 HA LEU A 39 3.757 -24.138 -17.075 1.00 15.23 H new ATOM 0 HB2 LEU A 39 3.554 -26.219 -15.864 1.00 75.15 H new ATOM 0 HB3 LEU A 39 2.752 -24.925 -14.995 1.00 75.15 H new ATOM 0 HG LEU A 39 1.189 -26.739 -16.823 1.00 21.20 H new ATOM 0 HD11 LEU A 39 0.762 -28.168 -14.770 1.00 33.54 H new ATOM 0 HD12 LEU A 39 2.489 -28.159 -15.202 1.00 33.54 H new ATOM 0 HD13 LEU A 39 1.904 -27.154 -13.855 1.00 33.54 H new ATOM 0 HD21 LEU A 39 -0.686 -26.266 -15.309 1.00 40.22 H new ATOM 0 HD22 LEU A 39 0.367 -25.211 -14.337 1.00 40.22 H new ATOM 0 HD23 LEU A 39 -0.011 -24.781 -16.022 1.00 40.22 H new ATOM 635 N LEU A 40 4.010 -25.950 -18.766 1.00 2.50 N ATOM 636 CA LEU A 40 4.327 -26.509 -20.072 1.00 0.42 C ATOM 637 C LEU A 40 4.937 -27.906 -19.961 1.00 21.13 C ATOM 638 O LEU A 40 5.251 -28.386 -18.871 1.00 64.42 O ATOM 639 CB LEU A 40 5.313 -25.585 -20.806 1.00 21.21 C ATOM 640 CG LEU A 40 4.848 -24.131 -20.969 1.00 12.04 C ATOM 641 CD1 LEU A 40 5.885 -23.389 -21.819 1.00 14.22 C ATOM 642 CD2 LEU A 40 3.477 -24.030 -21.644 1.00 34.21 C ATOM 0 H LEU A 40 4.805 -25.956 -18.128 1.00 2.50 H new ATOM 0 HA LEU A 40 3.394 -26.589 -20.630 1.00 0.42 H new ATOM 0 HB2 LEU A 40 6.260 -25.588 -20.266 1.00 21.21 H new ATOM 0 HB3 LEU A 40 5.508 -26.000 -21.795 1.00 21.21 H new ATOM 0 HG LEU A 40 4.754 -23.688 -19.977 1.00 12.04 H new ATOM 0 HD11 LEU A 40 5.575 -22.352 -21.948 1.00 14.22 H new ATOM 0 HD12 LEU A 40 6.853 -23.419 -21.319 1.00 14.22 H new ATOM 0 HD13 LEU A 40 5.965 -23.868 -22.795 1.00 14.22 H new ATOM 0 HD21 LEU A 40 3.193 -22.982 -21.736 1.00 34.21 H new ATOM 0 HD22 LEU A 40 3.525 -24.481 -22.635 1.00 34.21 H new ATOM 0 HD23 LEU A 40 2.735 -24.555 -21.042 1.00 34.21 H new ATOM 654 N LYS A 41 5.126 -28.524 -21.131 1.00 65.13 N ATOM 655 CA LYS A 41 5.810 -29.784 -21.336 1.00 34.33 C ATOM 656 C LYS A 41 6.462 -29.733 -22.717 1.00 0.20 C ATOM 657 O LYS A 41 5.772 -29.797 -23.732 1.00 3.30 O ATOM 658 CB LYS A 41 4.838 -30.959 -21.163 1.00 20.13 C ATOM 659 CG LYS A 41 3.569 -30.947 -22.025 1.00 3.40 C ATOM 660 CD LYS A 41 2.742 -32.199 -21.701 1.00 35.13 C ATOM 661 CE LYS A 41 1.349 -32.172 -22.340 1.00 64.54 C ATOM 662 NZ LYS A 41 1.410 -31.970 -23.798 1.00 12.04 N ATOM 0 H LYS A 41 4.782 -28.127 -22.005 1.00 65.13 H new ATOM 0 HA LYS A 41 6.589 -29.942 -20.590 1.00 34.33 H new ATOM 0 HB2 LYS A 41 5.381 -31.881 -21.372 1.00 20.13 H new ATOM 0 HB3 LYS A 41 4.536 -30.997 -20.116 1.00 20.13 H new ATOM 0 HG2 LYS A 41 2.986 -30.047 -21.827 1.00 3.40 H new ATOM 0 HG3 LYS A 41 3.831 -30.931 -23.083 1.00 3.40 H new ATOM 0 HD2 LYS A 41 3.278 -33.083 -22.047 1.00 35.13 H new ATOM 0 HD3 LYS A 41 2.639 -32.291 -20.620 1.00 35.13 H new ATOM 0 HE2 LYS A 41 0.835 -33.109 -22.126 1.00 64.54 H new ATOM 0 HE3 LYS A 41 0.759 -31.374 -21.889 1.00 64.54 H new ATOM 0 HZ1 LYS A 41 0.458 -32.077 -24.203 1.00 12.04 H new ATOM 0 HZ2 LYS A 41 1.768 -31.015 -24.001 1.00 12.04 H new ATOM 0 HZ3 LYS A 41 2.047 -32.676 -24.220 1.00 12.04 H new ATOM 676 N ASN A 42 7.790 -29.560 -22.751 1.00 65.12 N ATOM 677 CA ASN A 42 8.559 -29.387 -23.979 1.00 21.44 C ATOM 678 C ASN A 42 7.944 -28.288 -24.860 1.00 64.11 C ATOM 679 O ASN A 42 7.749 -28.476 -26.059 1.00 22.14 O ATOM 680 CB ASN A 42 8.686 -30.740 -24.701 1.00 22.40 C ATOM 681 CG ASN A 42 9.752 -30.728 -25.797 1.00 75.43 C ATOM 682 OD1 ASN A 42 9.435 -30.644 -26.982 1.00 72.51 O ATOM 683 ND2 ASN A 42 11.023 -30.838 -25.402 1.00 31.30 N ATOM 0 H ASN A 42 8.365 -29.537 -21.909 1.00 65.12 H new ATOM 0 HA ASN A 42 9.567 -29.049 -23.739 1.00 21.44 H new ATOM 0 HB2 ASN A 42 8.929 -31.514 -23.973 1.00 22.40 H new ATOM 0 HB3 ASN A 42 7.724 -31.005 -25.139 1.00 22.40 H new ATOM 0 HD21 ASN A 42 11.772 -30.855 -26.094 1.00 31.30 H new ATOM 0 HD22 ASN A 42 11.244 -30.905 -24.409 1.00 31.30 H new ATOM 690 N GLY A 43 7.602 -27.145 -24.250 1.00 25.30 N ATOM 691 CA GLY A 43 7.011 -26.007 -24.944 1.00 2.52 C ATOM 692 C GLY A 43 5.481 -26.076 -25.039 1.00 20.12 C ATOM 693 O GLY A 43 4.836 -25.028 -25.038 1.00 31.35 O ATOM 0 H GLY A 43 7.732 -26.989 -23.250 1.00 25.30 H new ATOM 0 HA2 GLY A 43 7.294 -25.090 -24.428 1.00 2.52 H new ATOM 0 HA3 GLY A 43 7.427 -25.948 -25.950 1.00 2.52 H new ATOM 697 N GLU A 44 4.892 -27.278 -25.134 1.00 2.23 N ATOM 698 CA GLU A 44 3.459 -27.454 -25.345 1.00 32.35 C ATOM 699 C GLU A 44 2.713 -27.270 -24.027 1.00 51.51 C ATOM 700 O GLU A 44 3.184 -27.723 -22.988 1.00 1.52 O ATOM 701 CB GLU A 44 3.174 -28.846 -25.926 1.00 41.24 C ATOM 702 CG GLU A 44 3.906 -29.106 -27.249 1.00 21.10 C ATOM 703 CD GLU A 44 3.506 -28.107 -28.331 1.00 51.53 C ATOM 704 OE1 GLU A 44 2.406 -28.291 -28.897 1.00 25.11 O ATOM 705 OE2 GLU A 44 4.300 -27.170 -28.566 1.00 13.14 O ATOM 0 H GLU A 44 5.406 -28.157 -25.065 1.00 2.23 H new ATOM 0 HA GLU A 44 3.112 -26.704 -26.055 1.00 32.35 H new ATOM 0 HB2 GLU A 44 3.468 -29.604 -25.200 1.00 41.24 H new ATOM 0 HB3 GLU A 44 2.101 -28.955 -26.084 1.00 41.24 H new ATOM 0 HG2 GLU A 44 4.982 -29.051 -27.085 1.00 21.10 H new ATOM 0 HG3 GLU A 44 3.688 -30.118 -27.591 1.00 21.10 H new ATOM 712 N ARG A 45 1.550 -26.607 -24.060 1.00 1.10 N ATOM 713 CA ARG A 45 0.784 -26.315 -22.857 1.00 11.43 C ATOM 714 C ARG A 45 0.068 -27.568 -22.351 1.00 24.31 C ATOM 715 O ARG A 45 -0.401 -28.382 -23.146 1.00 74.51 O ATOM 716 CB ARG A 45 -0.208 -25.171 -23.120 1.00 52.35 C ATOM 717 CG ARG A 45 -0.625 -24.500 -21.801 1.00 24.30 C ATOM 718 CD ARG A 45 -1.795 -23.531 -21.984 1.00 32.10 C ATOM 719 NE ARG A 45 -1.427 -22.362 -22.791 1.00 45.34 N ATOM 720 CZ ARG A 45 -2.291 -21.407 -23.177 1.00 42.31 C ATOM 721 NH1 ARG A 45 -3.592 -21.488 -22.863 1.00 23.44 N ATOM 722 NH2 ARG A 45 -1.849 -20.360 -23.887 1.00 21.42 N ATOM 0 H ARG A 45 1.122 -26.263 -24.919 1.00 1.10 H new ATOM 0 HA ARG A 45 1.472 -25.992 -22.076 1.00 11.43 H new ATOM 0 HB2 ARG A 45 0.247 -24.433 -23.781 1.00 52.35 H new ATOM 0 HB3 ARG A 45 -1.089 -25.558 -23.632 1.00 52.35 H new ATOM 0 HG2 ARG A 45 -0.902 -25.267 -21.078 1.00 24.30 H new ATOM 0 HG3 ARG A 45 0.227 -23.962 -21.385 1.00 24.30 H new ATOM 0 HD2 ARG A 45 -2.625 -24.052 -22.461 1.00 32.10 H new ATOM 0 HD3 ARG A 45 -2.146 -23.200 -21.007 1.00 32.10 H new ATOM 0 HE ARG A 45 -0.453 -22.268 -23.078 1.00 45.34 H new ATOM 0 HH11 ARG A 45 -3.938 -22.282 -22.324 1.00 23.44 H new ATOM 0 HH12 ARG A 45 -4.236 -20.756 -23.163 1.00 23.44 H new ATOM 0 HH21 ARG A 45 -0.861 -20.290 -24.132 1.00 21.42 H new ATOM 0 HH22 ARG A 45 -2.500 -19.633 -24.182 1.00 21.42 H new ATOM 736 N ILE A 46 -0.038 -27.705 -21.023 1.00 34.24 N ATOM 737 CA ILE A 46 -0.890 -28.700 -20.392 1.00 13.13 C ATOM 738 C ILE A 46 -2.350 -28.390 -20.731 1.00 11.00 C ATOM 739 O ILE A 46 -2.793 -27.250 -20.602 1.00 11.34 O ATOM 740 CB ILE A 46 -0.677 -28.695 -18.868 1.00 2.30 C ATOM 741 CG1 ILE A 46 0.780 -28.965 -18.450 1.00 64.52 C ATOM 742 CG2 ILE A 46 -1.624 -29.691 -18.182 1.00 4.20 C ATOM 743 CD1 ILE A 46 1.416 -30.193 -19.097 1.00 40.53 C ATOM 0 H ILE A 46 0.471 -27.121 -20.359 1.00 34.24 H new ATOM 0 HA ILE A 46 -0.634 -29.692 -20.765 1.00 13.13 H new ATOM 0 HB ILE A 46 -0.911 -27.684 -18.535 1.00 2.30 H new ATOM 0 HG12 ILE A 46 1.382 -28.090 -18.696 1.00 64.52 H new ATOM 0 HG13 ILE A 46 0.816 -29.083 -17.367 1.00 64.52 H new ATOM 0 HG21 ILE A 46 -1.456 -29.670 -17.105 1.00 4.20 H new ATOM 0 HG22 ILE A 46 -2.657 -29.415 -18.393 1.00 4.20 H new ATOM 0 HG23 ILE A 46 -1.432 -30.695 -18.560 1.00 4.20 H new ATOM 0 HD11 ILE A 46 2.441 -30.302 -18.742 1.00 40.53 H new ATOM 0 HD12 ILE A 46 0.844 -31.082 -18.831 1.00 40.53 H new ATOM 0 HD13 ILE A 46 1.418 -30.074 -20.180 1.00 40.53 H new ATOM 755 N GLU A 47 -3.096 -29.424 -21.137 1.00 23.12 N ATOM 756 CA GLU A 47 -4.530 -29.343 -21.367 1.00 63.52 C ATOM 757 C GLU A 47 -5.250 -29.462 -20.023 1.00 3.10 C ATOM 758 O GLU A 47 -5.959 -28.544 -19.615 1.00 0.43 O ATOM 759 CB GLU A 47 -4.967 -30.451 -22.334 1.00 74.32 C ATOM 760 CG GLU A 47 -4.533 -30.158 -23.777 1.00 23.14 C ATOM 761 CD GLU A 47 -4.817 -31.350 -24.687 1.00 54.04 C ATOM 762 OE1 GLU A 47 -6.010 -31.708 -24.803 1.00 53.34 O ATOM 763 OE2 GLU A 47 -3.836 -31.889 -25.245 1.00 23.34 O ATOM 0 H GLU A 47 -2.708 -30.350 -21.315 1.00 23.12 H new ATOM 0 HA GLU A 47 -4.787 -28.386 -21.822 1.00 63.52 H new ATOM 0 HB2 GLU A 47 -4.541 -31.401 -22.013 1.00 74.32 H new ATOM 0 HB3 GLU A 47 -6.051 -30.559 -22.296 1.00 74.32 H new ATOM 0 HG2 GLU A 47 -5.061 -29.279 -24.148 1.00 23.14 H new ATOM 0 HG3 GLU A 47 -3.469 -29.924 -23.800 1.00 23.14 H new ATOM 770 N LYS A 48 -5.053 -30.594 -19.334 1.00 22.52 N ATOM 771 CA LYS A 48 -5.688 -30.898 -18.060 1.00 54.03 C ATOM 772 C LYS A 48 -4.860 -30.329 -16.907 1.00 20.13 C ATOM 773 O LYS A 48 -4.177 -31.068 -16.197 1.00 11.30 O ATOM 774 CB LYS A 48 -5.871 -32.415 -17.923 1.00 65.21 C ATOM 775 CG LYS A 48 -6.896 -32.951 -18.931 1.00 13.40 C ATOM 776 CD LYS A 48 -6.928 -34.485 -18.948 1.00 62.52 C ATOM 777 CE LYS A 48 -7.357 -35.080 -17.602 1.00 24.23 C ATOM 778 NZ LYS A 48 -7.464 -36.546 -17.676 1.00 24.14 N ATOM 0 H LYS A 48 -4.433 -31.335 -19.660 1.00 22.52 H new ATOM 0 HA LYS A 48 -6.672 -30.430 -18.023 1.00 54.03 H new ATOM 0 HB2 LYS A 48 -4.914 -32.913 -18.076 1.00 65.21 H new ATOM 0 HB3 LYS A 48 -6.196 -32.653 -16.910 1.00 65.21 H new ATOM 0 HG2 LYS A 48 -7.886 -32.569 -18.681 1.00 13.40 H new ATOM 0 HG3 LYS A 48 -6.654 -32.581 -19.927 1.00 13.40 H new ATOM 0 HD2 LYS A 48 -7.614 -34.822 -19.725 1.00 62.52 H new ATOM 0 HD3 LYS A 48 -5.940 -34.863 -19.210 1.00 62.52 H new ATOM 0 HE2 LYS A 48 -6.635 -34.804 -16.833 1.00 24.23 H new ATOM 0 HE3 LYS A 48 -8.317 -34.658 -17.304 1.00 24.23 H new ATOM 0 HZ1 LYS A 48 -7.756 -36.920 -16.750 1.00 24.14 H new ATOM 0 HZ2 LYS A 48 -8.171 -36.807 -18.393 1.00 24.14 H new ATOM 0 HZ3 LYS A 48 -6.541 -36.949 -17.937 1.00 24.14 H new ATOM 792 N VAL A 49 -4.951 -29.009 -16.707 1.00 62.25 N ATOM 793 CA VAL A 49 -4.431 -28.343 -15.521 1.00 55.44 C ATOM 794 C VAL A 49 -5.464 -28.501 -14.408 1.00 41.11 C ATOM 795 O VAL A 49 -6.638 -28.189 -14.605 1.00 4.55 O ATOM 796 CB VAL A 49 -4.151 -26.860 -15.812 1.00 31.24 C ATOM 797 CG1 VAL A 49 -3.720 -26.112 -14.543 1.00 22.23 C ATOM 798 CG2 VAL A 49 -3.056 -26.721 -16.875 1.00 64.13 C ATOM 0 H VAL A 49 -5.392 -28.374 -17.372 1.00 62.25 H new ATOM 0 HA VAL A 49 -3.486 -28.792 -15.216 1.00 55.44 H new ATOM 0 HB VAL A 49 -5.078 -26.419 -16.179 1.00 31.24 H new ATOM 0 HG11 VAL A 49 -3.530 -25.066 -14.784 1.00 22.23 H new ATOM 0 HG12 VAL A 49 -4.512 -26.174 -13.797 1.00 22.23 H new ATOM 0 HG13 VAL A 49 -2.811 -26.564 -14.145 1.00 22.23 H new ATOM 0 HG21 VAL A 49 -2.870 -25.665 -17.070 1.00 64.13 H new ATOM 0 HG22 VAL A 49 -2.140 -27.191 -16.517 1.00 64.13 H new ATOM 0 HG23 VAL A 49 -3.378 -27.208 -17.795 1.00 64.13 H new ATOM 808 N GLU A 50 -5.012 -28.984 -13.247 1.00 31.10 N ATOM 809 CA GLU A 50 -5.824 -29.159 -12.053 1.00 4.04 C ATOM 810 C GLU A 50 -5.310 -28.190 -10.995 1.00 11.44 C ATOM 811 O GLU A 50 -4.116 -28.179 -10.703 1.00 74.11 O ATOM 812 CB GLU A 50 -5.726 -30.596 -11.540 1.00 44.01 C ATOM 813 CG GLU A 50 -6.219 -31.631 -12.556 1.00 12.50 C ATOM 814 CD GLU A 50 -6.009 -33.046 -12.027 1.00 3.41 C ATOM 815 OE1 GLU A 50 -4.989 -33.657 -12.415 1.00 11.51 O ATOM 816 OE2 GLU A 50 -6.867 -33.491 -11.233 1.00 0.50 O ATOM 0 H GLU A 50 -4.042 -29.270 -13.115 1.00 31.10 H new ATOM 0 HA GLU A 50 -6.871 -28.959 -12.281 1.00 4.04 H new ATOM 0 HB2 GLU A 50 -4.690 -30.814 -11.282 1.00 44.01 H new ATOM 0 HB3 GLU A 50 -6.309 -30.689 -10.624 1.00 44.01 H new ATOM 0 HG2 GLU A 50 -7.276 -31.468 -12.765 1.00 12.50 H new ATOM 0 HG3 GLU A 50 -5.685 -31.506 -13.498 1.00 12.50 H new ATOM 823 N HIS A 51 -6.216 -27.374 -10.447 1.00 40.25 N ATOM 824 CA HIS A 51 -5.911 -26.278 -9.538 1.00 24.24 C ATOM 825 C HIS A 51 -6.633 -26.477 -8.205 1.00 20.51 C ATOM 826 O HIS A 51 -7.716 -27.060 -8.169 1.00 63.45 O ATOM 827 CB HIS A 51 -6.302 -24.950 -10.197 1.00 43.33 C ATOM 828 CG HIS A 51 -7.772 -24.826 -10.513 1.00 24.34 C ATOM 829 ND1 HIS A 51 -8.660 -24.168 -9.678 1.00 72.51 N ATOM 830 CD2 HIS A 51 -8.534 -25.271 -11.567 1.00 32.45 C ATOM 831 CE1 HIS A 51 -9.877 -24.243 -10.242 1.00 22.53 C ATOM 832 NE2 HIS A 51 -9.867 -24.905 -11.401 1.00 21.20 N ATOM 0 H HIS A 51 -7.214 -27.466 -10.634 1.00 40.25 H new ATOM 0 HA HIS A 51 -4.841 -26.259 -9.330 1.00 24.24 H new ATOM 0 HB2 HIS A 51 -6.013 -24.131 -9.538 1.00 43.33 H new ATOM 0 HB3 HIS A 51 -5.732 -24.833 -11.119 1.00 43.33 H new ATOM 0 HD2 HIS A 51 -8.151 -25.828 -12.409 1.00 32.45 H new ATOM 0 HE1 HIS A 51 -10.767 -23.814 -9.805 1.00 22.53 H new ATOM 0 HE2 HIS A 51 -10.653 -25.098 -12.021 1.00 21.20 H new ATOM 840 N SER A 52 -6.036 -25.971 -7.117 1.00 5.24 N ATOM 841 CA SER A 52 -6.620 -25.999 -5.779 1.00 32.50 C ATOM 842 C SER A 52 -7.408 -24.713 -5.476 1.00 5.31 C ATOM 843 O SER A 52 -7.706 -24.441 -4.314 1.00 20.44 O ATOM 844 CB SER A 52 -5.494 -26.233 -4.764 1.00 20.21 C ATOM 845 OG SER A 52 -6.003 -26.505 -3.475 1.00 34.12 O ATOM 0 H SER A 52 -5.119 -25.525 -7.148 1.00 5.24 H new ATOM 0 HA SER A 52 -7.341 -26.814 -5.712 1.00 32.50 H new ATOM 0 HB2 SER A 52 -4.874 -27.066 -5.094 1.00 20.21 H new ATOM 0 HB3 SER A 52 -4.851 -25.354 -4.724 1.00 20.21 H new ATOM 0 HG SER A 52 -6.769 -25.920 -3.295 1.00 34.12 H new ATOM 851 N ASP A 53 -7.742 -23.924 -6.511 1.00 13.41 N ATOM 852 CA ASP A 53 -8.496 -22.675 -6.424 1.00 32.31 C ATOM 853 C ASP A 53 -7.718 -21.587 -5.671 1.00 14.44 C ATOM 854 O ASP A 53 -6.701 -21.866 -5.037 1.00 54.05 O ATOM 855 CB ASP A 53 -9.894 -22.938 -5.841 1.00 4.33 C ATOM 856 CG ASP A 53 -10.876 -21.812 -6.157 1.00 2.11 C ATOM 857 OD1 ASP A 53 -11.176 -21.036 -5.223 1.00 75.41 O ATOM 858 OD2 ASP A 53 -11.302 -21.743 -7.330 1.00 61.52 O ATOM 0 H ASP A 53 -7.480 -24.155 -7.469 1.00 13.41 H new ATOM 0 HA ASP A 53 -8.637 -22.281 -7.431 1.00 32.31 H new ATOM 0 HB2 ASP A 53 -10.280 -23.876 -6.239 1.00 4.33 H new ATOM 0 HB3 ASP A 53 -9.818 -23.058 -4.760 1.00 4.33 H new ATOM 863 N LEU A 54 -8.188 -20.336 -5.769 1.00 14.03 N ATOM 864 CA LEU A 54 -7.580 -19.178 -5.127 1.00 21.25 C ATOM 865 C LEU A 54 -7.879 -19.217 -3.621 1.00 62.34 C ATOM 866 O LEU A 54 -8.739 -18.489 -3.126 1.00 4.34 O ATOM 867 CB LEU A 54 -8.110 -17.898 -5.797 1.00 32.24 C ATOM 868 CG LEU A 54 -7.270 -16.669 -5.411 1.00 44.04 C ATOM 869 CD1 LEU A 54 -6.133 -16.453 -6.419 1.00 34.34 C ATOM 870 CD2 LEU A 54 -8.139 -15.408 -5.372 1.00 65.34 C ATOM 0 H LEU A 54 -9.020 -20.103 -6.310 1.00 14.03 H new ATOM 0 HA LEU A 54 -6.497 -19.191 -5.245 1.00 21.25 H new ATOM 0 HB2 LEU A 54 -8.099 -18.022 -6.880 1.00 32.24 H new ATOM 0 HB3 LEU A 54 -9.148 -17.737 -5.505 1.00 32.24 H new ATOM 0 HG LEU A 54 -6.852 -16.854 -4.421 1.00 44.04 H new ATOM 0 HD11 LEU A 54 -5.550 -15.579 -6.128 1.00 34.34 H new ATOM 0 HD12 LEU A 54 -5.487 -17.331 -6.433 1.00 34.34 H new ATOM 0 HD13 LEU A 54 -6.553 -16.295 -7.413 1.00 34.34 H new ATOM 0 HD21 LEU A 54 -7.524 -14.551 -5.097 1.00 65.34 H new ATOM 0 HD22 LEU A 54 -8.579 -15.239 -6.355 1.00 65.34 H new ATOM 0 HD23 LEU A 54 -8.933 -15.536 -4.636 1.00 65.34 H new ATOM 882 N SER A 55 -7.162 -20.087 -2.902 1.00 3.00 N ATOM 883 CA SER A 55 -7.380 -20.372 -1.491 1.00 42.31 C ATOM 884 C SER A 55 -6.460 -19.493 -0.647 1.00 22.25 C ATOM 885 O SER A 55 -5.305 -19.281 -1.005 1.00 74.31 O ATOM 886 CB SER A 55 -7.133 -21.861 -1.225 1.00 31.41 C ATOM 887 OG SER A 55 -7.439 -22.173 0.118 1.00 44.23 O ATOM 0 H SER A 55 -6.393 -20.625 -3.303 1.00 3.00 H new ATOM 0 HA SER A 55 -8.411 -20.146 -1.217 1.00 42.31 H new ATOM 0 HB2 SER A 55 -7.746 -22.464 -1.895 1.00 31.41 H new ATOM 0 HB3 SER A 55 -6.092 -22.108 -1.436 1.00 31.41 H new ATOM 0 HG SER A 55 -6.630 -22.489 0.573 1.00 44.23 H new ATOM 893 N PHE A 56 -6.985 -18.968 0.463 1.00 3.51 N ATOM 894 CA PHE A 56 -6.306 -17.998 1.307 1.00 1.45 C ATOM 895 C PHE A 56 -5.662 -18.723 2.487 1.00 44.03 C ATOM 896 O PHE A 56 -6.368 -19.375 3.255 1.00 34.40 O ATOM 897 CB PHE A 56 -7.324 -16.957 1.791 1.00 32.10 C ATOM 898 CG PHE A 56 -8.097 -16.292 0.665 1.00 55.04 C ATOM 899 CD1 PHE A 56 -9.290 -16.872 0.190 1.00 15.32 C ATOM 900 CD2 PHE A 56 -7.589 -15.137 0.042 1.00 40.04 C ATOM 901 CE1 PHE A 56 -9.955 -16.317 -0.915 1.00 33.32 C ATOM 902 CE2 PHE A 56 -8.269 -14.570 -1.051 1.00 33.50 C ATOM 903 CZ PHE A 56 -9.440 -15.171 -1.542 1.00 51.45 C ATOM 0 H PHE A 56 -7.915 -19.215 0.802 1.00 3.51 H new ATOM 0 HA PHE A 56 -5.523 -17.486 0.747 1.00 1.45 H new ATOM 0 HB2 PHE A 56 -8.029 -17.438 2.469 1.00 32.10 H new ATOM 0 HB3 PHE A 56 -6.803 -16.191 2.364 1.00 32.10 H new ATOM 0 HD1 PHE A 56 -9.694 -17.747 0.678 1.00 15.32 H new ATOM 0 HD2 PHE A 56 -6.677 -14.686 0.403 1.00 40.04 H new ATOM 0 HE1 PHE A 56 -10.863 -16.772 -1.283 1.00 33.32 H new ATOM 0 HE2 PHE A 56 -7.890 -13.671 -1.514 1.00 33.50 H new ATOM 0 HZ PHE A 56 -9.944 -14.752 -2.401 1.00 51.45 H new ATOM 913 N SER A 57 -4.334 -18.618 2.638 1.00 1.43 N ATOM 914 CA SER A 57 -3.628 -19.202 3.772 1.00 73.53 C ATOM 915 C SER A 57 -3.815 -18.272 4.970 1.00 3.30 C ATOM 916 O SER A 57 -2.986 -17.399 5.219 1.00 0.00 O ATOM 917 CB SER A 57 -2.152 -19.457 3.432 1.00 5.22 C ATOM 918 OG SER A 57 -1.506 -20.079 4.522 1.00 11.35 O ATOM 0 H SER A 57 -3.729 -18.128 1.979 1.00 1.43 H new ATOM 0 HA SER A 57 -4.039 -20.180 4.022 1.00 73.53 H new ATOM 0 HB2 SER A 57 -2.078 -20.088 2.546 1.00 5.22 H new ATOM 0 HB3 SER A 57 -1.657 -18.515 3.194 1.00 5.22 H new ATOM 0 HG SER A 57 -0.566 -20.240 4.297 1.00 11.35 H new ATOM 924 N LYS A 58 -4.943 -18.453 5.670 1.00 24.14 N ATOM 925 CA LYS A 58 -5.481 -17.582 6.708 1.00 64.45 C ATOM 926 C LYS A 58 -6.071 -16.323 6.072 1.00 51.22 C ATOM 927 O LYS A 58 -7.287 -16.141 6.094 1.00 64.24 O ATOM 928 CB LYS A 58 -4.473 -17.269 7.833 1.00 35.53 C ATOM 929 CG LYS A 58 -3.849 -18.516 8.484 1.00 2.51 C ATOM 930 CD LYS A 58 -4.573 -18.998 9.749 1.00 5.01 C ATOM 931 CE LYS A 58 -6.019 -19.445 9.512 1.00 5.14 C ATOM 932 NZ LYS A 58 -6.571 -20.115 10.701 1.00 65.25 N ATOM 0 H LYS A 58 -5.538 -19.266 5.511 1.00 24.14 H new ATOM 0 HA LYS A 58 -6.283 -18.123 7.210 1.00 64.45 H new ATOM 0 HB2 LYS A 58 -3.675 -16.646 7.428 1.00 35.53 H new ATOM 0 HB3 LYS A 58 -4.975 -16.683 8.603 1.00 35.53 H new ATOM 0 HG2 LYS A 58 -3.839 -19.326 7.754 1.00 2.51 H new ATOM 0 HG3 LYS A 58 -2.810 -18.300 8.734 1.00 2.51 H new ATOM 0 HD2 LYS A 58 -4.014 -19.828 10.180 1.00 5.01 H new ATOM 0 HD3 LYS A 58 -4.569 -18.194 10.485 1.00 5.01 H new ATOM 0 HE2 LYS A 58 -6.633 -18.580 9.261 1.00 5.14 H new ATOM 0 HE3 LYS A 58 -6.058 -20.122 8.659 1.00 5.14 H new ATOM 0 HZ1 LYS A 58 -7.551 -20.407 10.511 1.00 65.25 H new ATOM 0 HZ2 LYS A 58 -5.997 -20.953 10.925 1.00 65.25 H new ATOM 0 HZ3 LYS A 58 -6.555 -19.459 11.508 1.00 65.25 H new ATOM 946 N ASP A 59 -5.216 -15.466 5.498 1.00 33.14 N ATOM 947 CA ASP A 59 -5.628 -14.230 4.849 1.00 4.44 C ATOM 948 C ASP A 59 -4.528 -13.737 3.906 1.00 12.05 C ATOM 949 O ASP A 59 -3.344 -13.865 4.218 1.00 20.52 O ATOM 950 CB ASP A 59 -5.946 -13.170 5.913 1.00 41.51 C ATOM 951 CG ASP A 59 -6.480 -11.886 5.283 1.00 32.10 C ATOM 952 OD1 ASP A 59 -7.686 -11.874 4.954 1.00 41.13 O ATOM 953 OD2 ASP A 59 -5.671 -10.945 5.129 1.00 43.13 O ATOM 0 H ASP A 59 -4.208 -15.620 5.475 1.00 33.14 H new ATOM 0 HA ASP A 59 -6.525 -14.415 4.259 1.00 4.44 H new ATOM 0 HB2 ASP A 59 -6.681 -13.566 6.614 1.00 41.51 H new ATOM 0 HB3 ASP A 59 -5.046 -12.948 6.487 1.00 41.51 H new ATOM 958 N GLY A 60 -4.939 -13.151 2.773 1.00 41.22 N ATOM 959 CA GLY A 60 -4.093 -12.406 1.849 1.00 13.25 C ATOM 960 C GLY A 60 -2.812 -13.146 1.474 1.00 52.43 C ATOM 961 O GLY A 60 -1.716 -12.631 1.689 1.00 51.34 O ATOM 0 H GLY A 60 -5.912 -13.189 2.469 1.00 41.22 H new ATOM 0 HA2 GLY A 60 -4.659 -12.190 0.943 1.00 13.25 H new ATOM 0 HA3 GLY A 60 -3.833 -11.447 2.298 1.00 13.25 H new ATOM 965 N SER A 61 -2.960 -14.351 0.914 1.00 0.05 N ATOM 966 CA SER A 61 -1.852 -15.212 0.533 1.00 13.30 C ATOM 967 C SER A 61 -2.417 -16.368 -0.293 1.00 34.32 C ATOM 968 O SER A 61 -2.826 -17.393 0.249 1.00 40.32 O ATOM 969 CB SER A 61 -1.089 -15.695 1.773 1.00 60.13 C ATOM 970 OG SER A 61 -1.983 -16.113 2.783 1.00 62.35 O ATOM 0 H SER A 61 -3.874 -14.757 0.712 1.00 0.05 H new ATOM 0 HA SER A 61 -1.128 -14.666 -0.072 1.00 13.30 H new ATOM 0 HB2 SER A 61 -0.430 -16.519 1.501 1.00 60.13 H new ATOM 0 HB3 SER A 61 -0.456 -14.892 2.151 1.00 60.13 H new ATOM 0 HG SER A 61 -2.399 -15.328 3.197 1.00 62.35 H new ATOM 976 N PHE A 62 -2.473 -16.159 -1.613 1.00 45.12 N ATOM 977 CA PHE A 62 -3.233 -16.983 -2.539 1.00 41.01 C ATOM 978 C PHE A 62 -2.435 -18.227 -2.935 1.00 43.03 C ATOM 979 O PHE A 62 -1.535 -18.132 -3.767 1.00 55.21 O ATOM 980 CB PHE A 62 -3.602 -16.142 -3.771 1.00 13.53 C ATOM 981 CG PHE A 62 -4.151 -14.748 -3.500 1.00 74.35 C ATOM 982 CD1 PHE A 62 -3.821 -13.703 -4.383 1.00 35.22 C ATOM 983 CD2 PHE A 62 -4.876 -14.458 -2.327 1.00 2.22 C ATOM 984 CE1 PHE A 62 -4.151 -12.374 -4.068 1.00 12.20 C ATOM 985 CE2 PHE A 62 -5.191 -13.127 -2.004 1.00 2.21 C ATOM 986 CZ PHE A 62 -4.840 -12.086 -2.879 1.00 41.41 C ATOM 0 H PHE A 62 -1.978 -15.393 -2.070 1.00 45.12 H new ATOM 0 HA PHE A 62 -4.148 -17.326 -2.057 1.00 41.01 H new ATOM 0 HB2 PHE A 62 -2.714 -16.044 -4.396 1.00 13.53 H new ATOM 0 HB3 PHE A 62 -4.341 -16.693 -4.352 1.00 13.53 H new ATOM 0 HD1 PHE A 62 -3.311 -13.924 -5.309 1.00 35.22 H new ATOM 0 HD2 PHE A 62 -5.190 -15.260 -1.675 1.00 2.22 H new ATOM 0 HE1 PHE A 62 -3.875 -11.575 -4.740 1.00 12.20 H new ATOM 0 HE2 PHE A 62 -5.704 -12.904 -1.080 1.00 2.21 H new ATOM 0 HZ PHE A 62 -5.100 -11.066 -2.638 1.00 41.41 H new ATOM 996 N TYR A 63 -2.751 -19.381 -2.329 1.00 73.52 N ATOM 997 CA TYR A 63 -2.023 -20.625 -2.553 1.00 62.13 C ATOM 998 C TYR A 63 -2.784 -21.601 -3.452 1.00 23.41 C ATOM 999 O TYR A 63 -3.865 -22.075 -3.105 1.00 34.23 O ATOM 1000 CB TYR A 63 -1.592 -21.245 -1.218 1.00 60.13 C ATOM 1001 CG TYR A 63 -2.669 -21.961 -0.424 1.00 40.33 C ATOM 1002 CD1 TYR A 63 -2.854 -23.348 -0.583 1.00 22.24 C ATOM 1003 CD2 TYR A 63 -3.485 -21.249 0.470 1.00 23.30 C ATOM 1004 CE1 TYR A 63 -3.838 -24.021 0.159 1.00 54.44 C ATOM 1005 CE2 TYR A 63 -4.469 -21.922 1.214 1.00 53.34 C ATOM 1006 CZ TYR A 63 -4.653 -23.306 1.052 1.00 32.41 C ATOM 1007 OH TYR A 63 -5.626 -23.955 1.755 1.00 3.12 O ATOM 0 H TYR A 63 -3.523 -19.471 -1.668 1.00 73.52 H new ATOM 0 HA TYR A 63 -1.115 -20.385 -3.106 1.00 62.13 H new ATOM 0 HB2 TYR A 63 -0.786 -21.952 -1.415 1.00 60.13 H new ATOM 0 HB3 TYR A 63 -1.176 -20.454 -0.593 1.00 60.13 H new ATOM 0 HD1 TYR A 63 -2.236 -23.896 -1.279 1.00 22.24 H new ATOM 0 HD2 TYR A 63 -3.356 -20.183 0.586 1.00 23.30 H new ATOM 0 HE1 TYR A 63 -3.968 -25.087 0.043 1.00 54.44 H new ATOM 0 HE2 TYR A 63 -5.085 -21.375 1.912 1.00 53.34 H new ATOM 0 HH TYR A 63 -6.098 -23.315 2.328 1.00 3.12 H new ATOM 1017 N LEU A 64 -2.191 -21.897 -4.613 1.00 40.02 N ATOM 1018 CA LEU A 64 -2.672 -22.888 -5.568 1.00 31.23 C ATOM 1019 C LEU A 64 -1.709 -24.072 -5.629 1.00 13.23 C ATOM 1020 O LEU A 64 -0.554 -23.955 -5.225 1.00 23.21 O ATOM 1021 CB LEU A 64 -2.773 -22.229 -6.946 1.00 51.42 C ATOM 1022 CG LEU A 64 -4.010 -21.316 -7.015 1.00 40.32 C ATOM 1023 CD1 LEU A 64 -3.604 -19.897 -7.392 1.00 43.11 C ATOM 1024 CD2 LEU A 64 -5.045 -21.865 -8.000 1.00 52.51 C ATOM 0 H LEU A 64 -1.335 -21.435 -4.920 1.00 40.02 H new ATOM 0 HA LEU A 64 -3.650 -23.254 -5.256 1.00 31.23 H new ATOM 0 HB2 LEU A 64 -1.873 -21.648 -7.145 1.00 51.42 H new ATOM 0 HB3 LEU A 64 -2.835 -22.995 -7.719 1.00 51.42 H new ATOM 0 HG LEU A 64 -4.470 -21.292 -6.027 1.00 40.32 H new ATOM 0 HD11 LEU A 64 -4.491 -19.265 -7.436 1.00 43.11 H new ATOM 0 HD12 LEU A 64 -2.915 -19.505 -6.644 1.00 43.11 H new ATOM 0 HD13 LEU A 64 -3.115 -19.905 -8.366 1.00 43.11 H new ATOM 0 HD21 LEU A 64 -5.908 -21.200 -8.029 1.00 52.51 H new ATOM 0 HD22 LEU A 64 -4.603 -21.929 -8.994 1.00 52.51 H new ATOM 0 HD23 LEU A 64 -5.362 -22.857 -7.679 1.00 52.51 H new ATOM 1036 N LEU A 65 -2.191 -25.192 -6.179 1.00 61.31 N ATOM 1037 CA LEU A 65 -1.409 -26.364 -6.538 1.00 34.33 C ATOM 1038 C LEU A 65 -1.766 -26.685 -7.989 1.00 20.24 C ATOM 1039 O LEU A 65 -2.832 -27.237 -8.242 1.00 64.41 O ATOM 1040 CB LEU A 65 -1.769 -27.520 -5.588 1.00 71.42 C ATOM 1041 CG LEU A 65 -0.963 -28.808 -5.838 1.00 25.12 C ATOM 1042 CD1 LEU A 65 0.440 -28.728 -5.231 1.00 74.14 C ATOM 1043 CD2 LEU A 65 -1.697 -30.003 -5.217 1.00 33.53 C ATOM 0 H LEU A 65 -3.182 -25.304 -6.393 1.00 61.31 H new ATOM 0 HA LEU A 65 -0.336 -26.198 -6.447 1.00 34.33 H new ATOM 0 HB2 LEU A 65 -1.607 -27.196 -4.560 1.00 71.42 H new ATOM 0 HB3 LEU A 65 -2.831 -27.743 -5.689 1.00 71.42 H new ATOM 0 HG LEU A 65 -0.867 -28.931 -6.917 1.00 25.12 H new ATOM 0 HD11 LEU A 65 0.976 -29.656 -5.429 1.00 74.14 H new ATOM 0 HD12 LEU A 65 0.982 -27.894 -5.676 1.00 74.14 H new ATOM 0 HD13 LEU A 65 0.363 -28.577 -4.154 1.00 74.14 H new ATOM 0 HD21 LEU A 65 -1.125 -30.914 -5.395 1.00 33.53 H new ATOM 0 HD22 LEU A 65 -1.805 -29.846 -4.144 1.00 33.53 H new ATOM 0 HD23 LEU A 65 -2.684 -30.100 -5.670 1.00 33.53 H new ATOM 1055 N TYR A 66 -0.900 -26.311 -8.939 1.00 42.11 N ATOM 1056 CA TYR A 66 -1.112 -26.548 -10.363 1.00 55.13 C ATOM 1057 C TYR A 66 -0.483 -27.887 -10.757 1.00 54.34 C ATOM 1058 O TYR A 66 0.622 -27.914 -11.298 1.00 53.23 O ATOM 1059 CB TYR A 66 -0.535 -25.381 -11.174 1.00 24.54 C ATOM 1060 CG TYR A 66 -1.268 -24.065 -10.999 1.00 2.00 C ATOM 1061 CD1 TYR A 66 -2.386 -23.778 -11.802 1.00 21.20 C ATOM 1062 CD2 TYR A 66 -0.781 -23.089 -10.110 1.00 33.11 C ATOM 1063 CE1 TYR A 66 -2.978 -22.505 -11.763 1.00 34.14 C ATOM 1064 CE2 TYR A 66 -1.377 -21.816 -10.066 1.00 24.54 C ATOM 1065 CZ TYR A 66 -2.456 -21.514 -10.914 1.00 4.14 C ATOM 1066 OH TYR A 66 -2.988 -20.259 -10.922 1.00 72.53 O ATOM 0 H TYR A 66 -0.024 -25.830 -8.733 1.00 42.11 H new ATOM 0 HA TYR A 66 -2.179 -26.604 -10.580 1.00 55.13 H new ATOM 0 HB2 TYR A 66 0.508 -25.241 -10.891 1.00 24.54 H new ATOM 0 HB3 TYR A 66 -0.546 -25.650 -12.230 1.00 24.54 H new ATOM 0 HD1 TYR A 66 -2.791 -24.540 -12.452 1.00 21.20 H new ATOM 0 HD2 TYR A 66 0.051 -23.318 -9.461 1.00 33.11 H new ATOM 0 HE1 TYR A 66 -3.834 -22.288 -12.385 1.00 34.14 H new ATOM 0 HE2 TYR A 66 -1.005 -21.070 -9.380 1.00 24.54 H new ATOM 0 HH TYR A 66 -3.938 -20.308 -11.157 1.00 72.53 H new ATOM 1076 N TYR A 67 -1.181 -28.996 -10.465 1.00 25.35 N ATOM 1077 CA TYR A 67 -0.653 -30.346 -10.638 1.00 53.31 C ATOM 1078 C TYR A 67 -1.142 -30.989 -11.938 1.00 31.50 C ATOM 1079 O TYR A 67 -2.296 -31.395 -12.040 1.00 64.32 O ATOM 1080 CB TYR A 67 -0.947 -31.224 -9.408 1.00 32.53 C ATOM 1081 CG TYR A 67 -2.403 -31.538 -9.111 1.00 53.01 C ATOM 1082 CD1 TYR A 67 -3.209 -30.599 -8.448 1.00 35.44 C ATOM 1083 CD2 TYR A 67 -2.927 -32.810 -9.411 1.00 15.22 C ATOM 1084 CE1 TYR A 67 -4.549 -30.894 -8.156 1.00 20.11 C ATOM 1085 CE2 TYR A 67 -4.258 -33.121 -9.091 1.00 53.34 C ATOM 1086 CZ TYR A 67 -5.075 -32.158 -8.474 1.00 62.23 C ATOM 1087 OH TYR A 67 -6.374 -32.453 -8.180 1.00 5.43 O ATOM 0 H TYR A 67 -2.133 -28.974 -10.100 1.00 25.35 H new ATOM 0 HA TYR A 67 0.431 -30.264 -10.723 1.00 53.31 H new ATOM 0 HB2 TYR A 67 -0.416 -32.168 -9.532 1.00 32.53 H new ATOM 0 HB3 TYR A 67 -0.522 -30.732 -8.533 1.00 32.53 H new ATOM 0 HD1 TYR A 67 -2.795 -29.644 -8.161 1.00 35.44 H new ATOM 0 HD2 TYR A 67 -2.302 -33.550 -9.889 1.00 15.22 H new ATOM 0 HE1 TYR A 67 -5.176 -30.150 -7.687 1.00 20.11 H new ATOM 0 HE2 TYR A 67 -4.654 -34.100 -9.319 1.00 53.34 H new ATOM 0 HH TYR A 67 -6.816 -32.815 -8.977 1.00 5.43 H new ATOM 1097 N THR A 68 -0.242 -31.114 -12.921 1.00 71.41 N ATOM 1098 CA THR A 68 -0.469 -31.917 -14.116 1.00 40.12 C ATOM 1099 C THR A 68 0.068 -33.331 -13.891 1.00 51.13 C ATOM 1100 O THR A 68 1.017 -33.508 -13.131 1.00 25.23 O ATOM 1101 CB THR A 68 0.196 -31.255 -15.330 1.00 2.40 C ATOM 1102 OG1 THR A 68 -0.165 -31.964 -16.496 1.00 51.32 O ATOM 1103 CG2 THR A 68 1.725 -31.185 -15.255 1.00 12.44 C ATOM 0 H THR A 68 0.669 -30.655 -12.904 1.00 71.41 H new ATOM 0 HA THR A 68 -1.538 -31.983 -14.316 1.00 40.12 H new ATOM 0 HB THR A 68 -0.162 -30.226 -15.346 1.00 2.40 H new ATOM 0 HG1 THR A 68 0.642 -32.310 -16.931 1.00 51.32 H new ATOM 0 HG21 THR A 68 2.112 -30.703 -16.153 1.00 12.44 H new ATOM 0 HG22 THR A 68 2.020 -30.609 -14.378 1.00 12.44 H new ATOM 0 HG23 THR A 68 2.132 -32.193 -15.181 1.00 12.44 H new ATOM 1111 N GLU A 69 -0.507 -34.326 -14.578 1.00 20.24 N ATOM 1112 CA GLU A 69 0.007 -35.688 -14.588 1.00 22.24 C ATOM 1113 C GLU A 69 1.102 -35.788 -15.655 1.00 23.23 C ATOM 1114 O GLU A 69 0.860 -36.286 -16.754 1.00 22.52 O ATOM 1115 CB GLU A 69 -1.149 -36.671 -14.824 1.00 51.34 C ATOM 1116 CG GLU A 69 -0.691 -38.124 -14.650 1.00 71.31 C ATOM 1117 CD GLU A 69 -1.855 -39.098 -14.807 1.00 43.35 C ATOM 1118 OE1 GLU A 69 -2.277 -39.299 -15.967 1.00 34.11 O ATOM 1119 OE2 GLU A 69 -2.303 -39.626 -13.766 1.00 12.33 O ATOM 0 H GLU A 69 -1.347 -34.201 -15.144 1.00 20.24 H new ATOM 0 HA GLU A 69 0.452 -35.950 -13.628 1.00 22.24 H new ATOM 0 HB2 GLU A 69 -1.959 -36.457 -14.127 1.00 51.34 H new ATOM 0 HB3 GLU A 69 -1.548 -36.531 -15.829 1.00 51.34 H new ATOM 0 HG2 GLU A 69 0.080 -38.355 -15.385 1.00 71.31 H new ATOM 0 HG3 GLU A 69 -0.240 -38.249 -13.666 1.00 71.31 H new ATOM 1126 N PHE A 70 2.306 -35.291 -15.340 1.00 61.31 N ATOM 1127 CA PHE A 70 3.418 -35.289 -16.279 1.00 34.50 C ATOM 1128 C PHE A 70 3.953 -36.703 -16.502 1.00 22.40 C ATOM 1129 O PHE A 70 4.266 -37.411 -15.546 1.00 11.35 O ATOM 1130 CB PHE A 70 4.537 -34.328 -15.849 1.00 53.55 C ATOM 1131 CG PHE A 70 5.487 -34.799 -14.768 1.00 65.14 C ATOM 1132 CD1 PHE A 70 6.807 -35.176 -15.084 1.00 41.34 C ATOM 1133 CD2 PHE A 70 5.059 -34.835 -13.434 1.00 41.41 C ATOM 1134 CE1 PHE A 70 7.680 -35.597 -14.066 1.00 45.41 C ATOM 1135 CE2 PHE A 70 5.945 -35.201 -12.409 1.00 33.22 C ATOM 1136 CZ PHE A 70 7.261 -35.571 -12.725 1.00 24.41 C ATOM 0 H PHE A 70 2.528 -34.883 -14.432 1.00 61.31 H new ATOM 0 HA PHE A 70 3.034 -34.921 -17.231 1.00 34.50 H new ATOM 0 HB2 PHE A 70 5.127 -34.083 -16.732 1.00 53.55 H new ATOM 0 HB3 PHE A 70 4.073 -33.402 -15.509 1.00 53.55 H new ATOM 0 HD1 PHE A 70 7.148 -35.142 -16.108 1.00 41.34 H new ATOM 0 HD2 PHE A 70 4.038 -34.579 -13.193 1.00 41.41 H new ATOM 0 HE1 PHE A 70 8.673 -35.941 -14.315 1.00 45.41 H new ATOM 0 HE2 PHE A 70 5.615 -35.198 -11.381 1.00 33.22 H new ATOM 0 HZ PHE A 70 7.952 -35.836 -11.938 1.00 24.41 H new ATOM 1146 N THR A 71 4.060 -37.096 -17.775 1.00 12.52 N ATOM 1147 CA THR A 71 4.669 -38.347 -18.195 1.00 43.33 C ATOM 1148 C THR A 71 6.084 -38.046 -18.697 1.00 74.14 C ATOM 1149 O THR A 71 6.239 -37.685 -19.864 1.00 5.50 O ATOM 1150 CB THR A 71 3.806 -38.995 -19.288 1.00 25.32 C ATOM 1151 OG1 THR A 71 2.512 -39.235 -18.774 1.00 71.14 O ATOM 1152 CG2 THR A 71 4.412 -40.329 -19.745 1.00 41.01 C ATOM 0 H THR A 71 3.716 -36.535 -18.554 1.00 12.52 H new ATOM 0 HA THR A 71 4.732 -39.050 -17.365 1.00 43.33 H new ATOM 0 HB THR A 71 3.761 -38.318 -20.141 1.00 25.32 H new ATOM 0 HG1 THR A 71 1.956 -39.647 -19.468 1.00 71.14 H new ATOM 0 HG21 THR A 71 3.783 -40.768 -20.519 1.00 41.01 H new ATOM 0 HG22 THR A 71 5.412 -40.157 -20.144 1.00 41.01 H new ATOM 0 HG23 THR A 71 4.473 -41.011 -18.897 1.00 41.01 H new ATOM 1160 N PRO A 72 7.129 -38.191 -17.864 1.00 51.14 N ATOM 1161 CA PRO A 72 8.500 -38.032 -18.312 1.00 40.22 C ATOM 1162 C PRO A 72 8.830 -39.129 -19.324 1.00 33.10 C ATOM 1163 O PRO A 72 8.261 -40.219 -19.271 1.00 41.04 O ATOM 1164 CB PRO A 72 9.365 -38.114 -17.052 1.00 11.53 C ATOM 1165 CG PRO A 72 8.531 -38.961 -16.095 1.00 31.21 C ATOM 1166 CD PRO A 72 7.090 -38.638 -16.484 1.00 40.12 C ATOM 0 HA PRO A 72 8.676 -37.083 -18.818 1.00 40.22 H new ATOM 0 HB2 PRO A 72 10.330 -38.576 -17.258 1.00 11.53 H new ATOM 0 HB3 PRO A 72 9.567 -37.125 -16.640 1.00 11.53 H new ATOM 0 HG2 PRO A 72 8.747 -40.023 -16.209 1.00 31.21 H new ATOM 0 HG3 PRO A 72 8.732 -38.704 -15.055 1.00 31.21 H new ATOM 0 HD2 PRO A 72 6.453 -39.516 -16.378 1.00 40.12 H new ATOM 0 HD3 PRO A 72 6.677 -37.864 -15.837 1.00 40.12 H new ATOM 1174 N THR A 73 9.722 -38.817 -20.267 1.00 13.04 N ATOM 1175 CA THR A 73 10.167 -39.745 -21.294 1.00 0.03 C ATOM 1176 C THR A 73 11.484 -40.357 -20.815 1.00 32.42 C ATOM 1177 O THR A 73 11.513 -41.528 -20.440 1.00 22.31 O ATOM 1178 CB THR A 73 10.278 -39.009 -22.641 1.00 51.55 C ATOM 1179 OG1 THR A 73 9.011 -38.488 -22.991 1.00 40.13 O ATOM 1180 CG2 THR A 73 10.742 -39.942 -23.764 1.00 24.13 C ATOM 0 H THR A 73 10.158 -37.897 -20.334 1.00 13.04 H new ATOM 0 HA THR A 73 9.457 -40.556 -21.457 1.00 0.03 H new ATOM 0 HB THR A 73 11.014 -38.214 -22.524 1.00 51.55 H new ATOM 0 HG1 THR A 73 9.076 -38.017 -23.848 1.00 40.13 H new ATOM 0 HG21 THR A 73 10.807 -39.383 -24.698 1.00 24.13 H new ATOM 0 HG22 THR A 73 11.722 -40.350 -23.516 1.00 24.13 H new ATOM 0 HG23 THR A 73 10.028 -40.757 -23.878 1.00 24.13 H new ATOM 1188 N GLU A 74 12.547 -39.543 -20.791 1.00 64.33 N ATOM 1189 CA GLU A 74 13.854 -39.864 -20.230 1.00 40.22 C ATOM 1190 C GLU A 74 14.662 -38.566 -20.189 1.00 14.44 C ATOM 1191 O GLU A 74 14.963 -38.063 -19.108 1.00 71.43 O ATOM 1192 CB GLU A 74 14.548 -40.986 -21.026 1.00 42.25 C ATOM 1193 CG GLU A 74 15.899 -41.409 -20.427 1.00 61.34 C ATOM 1194 CD GLU A 74 17.044 -40.475 -20.819 1.00 32.24 C ATOM 1195 OE1 GLU A 74 17.404 -40.492 -22.017 1.00 20.20 O ATOM 1196 OE2 GLU A 74 17.544 -39.765 -19.919 1.00 2.44 O ATOM 0 H GLU A 74 12.512 -38.601 -21.181 1.00 64.33 H new ATOM 0 HA GLU A 74 13.759 -40.258 -19.218 1.00 40.22 H new ATOM 0 HB2 GLU A 74 13.889 -41.853 -21.068 1.00 42.25 H new ATOM 0 HB3 GLU A 74 14.702 -40.653 -22.052 1.00 42.25 H new ATOM 0 HG2 GLU A 74 15.816 -41.437 -19.341 1.00 61.34 H new ATOM 0 HG3 GLU A 74 16.135 -42.421 -20.755 1.00 61.34 H new ATOM 1203 N LYS A 75 14.980 -38.012 -21.369 1.00 33.44 N ATOM 1204 CA LYS A 75 15.689 -36.746 -21.518 1.00 11.43 C ATOM 1205 C LYS A 75 14.676 -35.603 -21.694 1.00 61.13 C ATOM 1206 O LYS A 75 14.805 -34.780 -22.598 1.00 55.21 O ATOM 1207 CB LYS A 75 16.665 -36.864 -22.699 1.00 51.12 C ATOM 1208 CG LYS A 75 17.759 -35.787 -22.654 1.00 62.34 C ATOM 1209 CD LYS A 75 18.581 -35.753 -23.948 1.00 20.55 C ATOM 1210 CE LYS A 75 19.362 -37.050 -24.186 1.00 13.33 C ATOM 1211 NZ LYS A 75 20.217 -36.942 -25.379 1.00 72.15 N ATOM 0 H LYS A 75 14.743 -38.446 -22.261 1.00 33.44 H new ATOM 0 HA LYS A 75 16.271 -36.516 -20.626 1.00 11.43 H new ATOM 0 HB2 LYS A 75 17.128 -37.851 -22.689 1.00 51.12 H new ATOM 0 HB3 LYS A 75 16.113 -36.780 -23.635 1.00 51.12 H new ATOM 0 HG2 LYS A 75 17.302 -34.812 -22.489 1.00 62.34 H new ATOM 0 HG3 LYS A 75 18.420 -35.976 -21.809 1.00 62.34 H new ATOM 0 HD2 LYS A 75 17.915 -35.574 -24.792 1.00 20.55 H new ATOM 0 HD3 LYS A 75 19.278 -34.916 -23.909 1.00 20.55 H new ATOM 0 HE2 LYS A 75 19.976 -37.274 -23.314 1.00 13.33 H new ATOM 0 HE3 LYS A 75 18.666 -37.880 -24.307 1.00 13.33 H new ATOM 0 HZ1 LYS A 75 20.734 -37.833 -25.517 1.00 72.15 H new ATOM 0 HZ2 LYS A 75 19.626 -36.752 -26.213 1.00 72.15 H new ATOM 0 HZ3 LYS A 75 20.895 -36.164 -25.251 1.00 72.15 H new ATOM 1225 N ASP A 76 13.656 -35.566 -20.827 1.00 4.01 N ATOM 1226 CA ASP A 76 12.585 -34.576 -20.842 1.00 54.21 C ATOM 1227 C ASP A 76 12.925 -33.385 -19.940 1.00 60.22 C ATOM 1228 O ASP A 76 13.923 -33.406 -19.220 1.00 5.23 O ATOM 1229 CB ASP A 76 11.273 -35.245 -20.415 1.00 2.02 C ATOM 1230 CG ASP A 76 11.376 -35.889 -19.033 1.00 44.14 C ATOM 1231 OD1 ASP A 76 10.994 -35.215 -18.053 1.00 12.10 O ATOM 1232 OD2 ASP A 76 11.838 -37.049 -18.986 1.00 23.41 O ATOM 0 H ASP A 76 13.555 -36.248 -20.075 1.00 4.01 H new ATOM 0 HA ASP A 76 12.469 -34.187 -21.853 1.00 54.21 H new ATOM 0 HB2 ASP A 76 10.474 -34.503 -20.410 1.00 2.02 H new ATOM 0 HB3 ASP A 76 10.999 -36.004 -21.148 1.00 2.02 H new ATOM 1237 N GLU A 77 12.093 -32.338 -20.004 1.00 14.10 N ATOM 1238 CA GLU A 77 12.325 -31.063 -19.341 1.00 0.24 C ATOM 1239 C GLU A 77 11.003 -30.302 -19.177 1.00 44.14 C ATOM 1240 O GLU A 77 10.601 -29.520 -20.037 1.00 53.42 O ATOM 1241 CB GLU A 77 13.439 -30.262 -20.053 1.00 53.42 C ATOM 1242 CG GLU A 77 13.186 -29.773 -21.491 1.00 45.41 C ATOM 1243 CD GLU A 77 12.681 -30.863 -22.431 1.00 2.11 C ATOM 1244 OE1 GLU A 77 11.441 -30.989 -22.541 1.00 4.54 O ATOM 1245 OE2 GLU A 77 13.538 -31.554 -23.022 1.00 42.42 O ATOM 0 H GLU A 77 11.221 -32.362 -20.533 1.00 14.10 H new ATOM 0 HA GLU A 77 12.700 -31.235 -18.332 1.00 0.24 H new ATOM 0 HB2 GLU A 77 13.663 -29.389 -19.440 1.00 53.42 H new ATOM 0 HB3 GLU A 77 14.336 -30.881 -20.066 1.00 53.42 H new ATOM 0 HG2 GLU A 77 12.459 -28.962 -21.466 1.00 45.41 H new ATOM 0 HG3 GLU A 77 14.111 -29.360 -21.893 1.00 45.41 H new ATOM 1252 N TYR A 78 10.324 -30.534 -18.047 1.00 31.53 N ATOM 1253 CA TYR A 78 9.092 -29.849 -17.675 1.00 3.24 C ATOM 1254 C TYR A 78 9.432 -28.538 -16.966 1.00 51.31 C ATOM 1255 O TYR A 78 10.500 -28.415 -16.365 1.00 2.55 O ATOM 1256 CB TYR A 78 8.236 -30.759 -16.784 1.00 25.55 C ATOM 1257 CG TYR A 78 7.633 -31.933 -17.531 1.00 11.04 C ATOM 1258 CD1 TYR A 78 8.445 -33.010 -17.933 1.00 25.15 C ATOM 1259 CD2 TYR A 78 6.286 -31.889 -17.937 1.00 44.04 C ATOM 1260 CE1 TYR A 78 7.923 -34.016 -18.763 1.00 32.44 C ATOM 1261 CE2 TYR A 78 5.766 -32.901 -18.762 1.00 65.41 C ATOM 1262 CZ TYR A 78 6.584 -33.962 -19.179 1.00 60.42 C ATOM 1263 OH TYR A 78 6.063 -34.934 -19.980 1.00 14.32 O ATOM 0 H TYR A 78 10.627 -31.219 -17.355 1.00 31.53 H new ATOM 0 HA TYR A 78 8.514 -29.616 -18.570 1.00 3.24 H new ATOM 0 HB2 TYR A 78 8.849 -31.135 -15.965 1.00 25.55 H new ATOM 0 HB3 TYR A 78 7.434 -30.170 -16.338 1.00 25.55 H new ATOM 0 HD1 TYR A 78 9.472 -33.063 -17.603 1.00 25.15 H new ATOM 0 HD2 TYR A 78 5.651 -31.077 -17.614 1.00 44.04 H new ATOM 0 HE1 TYR A 78 8.554 -34.833 -19.082 1.00 32.44 H new ATOM 0 HE2 TYR A 78 4.733 -32.862 -19.076 1.00 65.41 H new ATOM 0 HH TYR A 78 6.451 -35.801 -19.737 1.00 14.32 H new ATOM 1273 N ALA A 79 8.526 -27.554 -17.048 1.00 34.25 N ATOM 1274 CA ALA A 79 8.730 -26.244 -16.448 1.00 2.05 C ATOM 1275 C ALA A 79 7.403 -25.518 -16.238 1.00 73.43 C ATOM 1276 O ALA A 79 6.497 -25.615 -17.067 1.00 24.24 O ATOM 1277 CB ALA A 79 9.654 -25.399 -17.329 1.00 42.41 C ATOM 0 H ALA A 79 7.634 -27.651 -17.533 1.00 34.25 H new ATOM 0 HA ALA A 79 9.195 -26.390 -15.473 1.00 2.05 H new ATOM 0 HB1 ALA A 79 9.800 -24.421 -16.870 1.00 42.41 H new ATOM 0 HB2 ALA A 79 10.617 -25.899 -17.431 1.00 42.41 H new ATOM 0 HB3 ALA A 79 9.204 -25.275 -18.314 1.00 42.41 H new ATOM 1283 N CYS A 80 7.317 -24.773 -15.129 1.00 3.33 N ATOM 1284 CA CYS A 80 6.161 -23.971 -14.760 1.00 42.44 C ATOM 1285 C CYS A 80 6.379 -22.531 -15.240 1.00 4.00 C ATOM 1286 O CYS A 80 7.398 -21.928 -14.915 1.00 43.03 O ATOM 1287 CB CYS A 80 5.964 -24.056 -13.243 1.00 12.55 C ATOM 1288 SG CYS A 80 4.341 -23.496 -12.674 1.00 52.11 S ATOM 0 H CYS A 80 8.075 -24.715 -14.449 1.00 3.33 H new ATOM 0 HA CYS A 80 5.254 -24.344 -15.235 1.00 42.44 H new ATOM 0 HB2 CYS A 80 6.111 -25.088 -12.926 1.00 12.55 H new ATOM 0 HB3 CYS A 80 6.734 -23.459 -12.754 1.00 12.55 H new ATOM 1293 N ARG A 81 5.447 -21.993 -16.039 1.00 5.03 N ATOM 1294 CA ARG A 81 5.581 -20.710 -16.716 1.00 23.44 C ATOM 1295 C ARG A 81 4.895 -19.654 -15.857 1.00 40.23 C ATOM 1296 O ARG A 81 3.707 -19.389 -16.026 1.00 54.13 O ATOM 1297 CB ARG A 81 4.945 -20.814 -18.108 1.00 53.04 C ATOM 1298 CG ARG A 81 5.134 -19.539 -18.937 1.00 61.32 C ATOM 1299 CD ARG A 81 4.497 -19.698 -20.319 1.00 52.44 C ATOM 1300 NE ARG A 81 4.667 -18.493 -21.143 1.00 1.15 N ATOM 1301 CZ ARG A 81 5.716 -18.220 -21.937 1.00 34.14 C ATOM 1302 NH1 ARG A 81 6.772 -19.043 -22.010 1.00 2.01 N ATOM 1303 NH2 ARG A 81 5.704 -17.102 -22.674 1.00 60.23 N ATOM 0 H ARG A 81 4.559 -22.456 -16.233 1.00 5.03 H new ATOM 0 HA ARG A 81 6.626 -20.431 -16.848 1.00 23.44 H new ATOM 0 HB2 ARG A 81 5.382 -21.658 -18.641 1.00 53.04 H new ATOM 0 HB3 ARG A 81 3.880 -21.020 -18.003 1.00 53.04 H new ATOM 0 HG2 ARG A 81 4.685 -18.692 -18.419 1.00 61.32 H new ATOM 0 HG3 ARG A 81 6.197 -19.321 -19.043 1.00 61.32 H new ATOM 0 HD2 ARG A 81 4.943 -20.552 -20.828 1.00 52.44 H new ATOM 0 HD3 ARG A 81 3.435 -19.914 -20.206 1.00 52.44 H new ATOM 0 HE ARG A 81 3.920 -17.800 -21.109 1.00 1.15 H new ATOM 0 HH11 ARG A 81 6.791 -19.899 -21.455 1.00 2.01 H new ATOM 0 HH12 ARG A 81 7.556 -18.813 -22.620 1.00 2.01 H new ATOM 0 HH21 ARG A 81 4.905 -16.470 -22.628 1.00 60.23 H new ATOM 0 HH22 ARG A 81 6.494 -16.883 -23.281 1.00 60.23 H new ATOM 1317 N VAL A 82 5.640 -19.085 -14.906 1.00 44.23 N ATOM 1318 CA VAL A 82 5.080 -18.249 -13.861 1.00 62.25 C ATOM 1319 C VAL A 82 5.142 -16.800 -14.336 1.00 24.14 C ATOM 1320 O VAL A 82 6.172 -16.142 -14.199 1.00 45.34 O ATOM 1321 CB VAL A 82 5.831 -18.506 -12.543 1.00 54.21 C ATOM 1322 CG1 VAL A 82 5.238 -17.667 -11.410 1.00 20.53 C ATOM 1323 CG2 VAL A 82 5.726 -19.985 -12.143 1.00 4.04 C ATOM 0 H VAL A 82 6.652 -19.197 -14.846 1.00 44.23 H new ATOM 0 HA VAL A 82 4.035 -18.485 -13.661 1.00 62.25 H new ATOM 0 HB VAL A 82 6.874 -18.233 -12.703 1.00 54.21 H new ATOM 0 HG11 VAL A 82 5.784 -17.864 -10.487 1.00 20.53 H new ATOM 0 HG12 VAL A 82 5.318 -16.609 -11.660 1.00 20.53 H new ATOM 0 HG13 VAL A 82 4.189 -17.929 -11.274 1.00 20.53 H new ATOM 0 HG21 VAL A 82 6.263 -20.148 -11.209 1.00 4.04 H new ATOM 0 HG22 VAL A 82 4.678 -20.253 -12.011 1.00 4.04 H new ATOM 0 HG23 VAL A 82 6.163 -20.605 -12.926 1.00 4.04 H new ATOM 1333 N ASN A 83 4.036 -16.326 -14.924 1.00 45.21 N ATOM 1334 CA ASN A 83 3.921 -14.990 -15.493 1.00 0.20 C ATOM 1335 C ASN A 83 2.991 -14.180 -14.595 1.00 41.42 C ATOM 1336 O ASN A 83 1.890 -14.634 -14.290 1.00 51.05 O ATOM 1337 CB ASN A 83 3.363 -15.075 -16.918 1.00 15.50 C ATOM 1338 CG ASN A 83 4.208 -15.924 -17.865 1.00 21.23 C ATOM 1339 OD1 ASN A 83 5.233 -16.486 -17.483 1.00 33.13 O ATOM 1340 ND2 ASN A 83 3.768 -16.025 -19.121 1.00 23.53 N ATOM 0 H ASN A 83 3.182 -16.877 -15.016 1.00 45.21 H new ATOM 0 HA ASN A 83 4.897 -14.508 -15.547 1.00 0.20 H new ATOM 0 HB2 ASN A 83 2.355 -15.487 -16.879 1.00 15.50 H new ATOM 0 HB3 ASN A 83 3.280 -14.068 -17.326 1.00 15.50 H new ATOM 0 HD21 ASN A 83 4.286 -16.583 -19.800 1.00 23.53 H new ATOM 0 HD22 ASN A 83 2.913 -15.545 -19.402 1.00 23.53 H new ATOM 1347 N HIS A 84 3.447 -13.003 -14.150 1.00 0.00 N ATOM 1348 CA HIS A 84 2.748 -12.193 -13.161 1.00 0.00 C ATOM 1349 C HIS A 84 3.071 -10.714 -13.375 1.00 0.00 C ATOM 1350 O HIS A 84 4.098 -10.378 -13.961 1.00 0.00 O ATOM 1351 CB HIS A 84 3.168 -12.653 -11.759 1.00 0.00 C ATOM 1352 CG HIS A 84 2.372 -12.023 -10.647 1.00 0.00 C ATOM 1353 ND1 HIS A 84 2.996 -11.417 -9.559 1.00 0.00 N ATOM 1354 CD2 HIS A 84 1.016 -11.925 -10.487 1.00 0.00 C ATOM 1355 CE1 HIS A 84 1.996 -10.982 -8.788 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.790 -11.246 -9.311 1.00 0.00 N ATOM 0 H HIS A 84 4.321 -12.587 -14.473 1.00 0.00 H new ATOM 0 HA HIS A 84 1.670 -12.318 -13.267 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.066 -13.736 -11.697 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.223 -12.423 -11.613 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.263 -12.309 -11.159 1.00 0.00 H new ATOM 0 HE1 HIS A 84 2.143 -10.473 -7.847 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.116 -10.994 -8.916 1.00 0.00 H new ATOM 1364 N VAL A 85 2.185 -9.833 -12.894 1.00 4.04 N ATOM 1365 CA VAL A 85 2.297 -8.390 -13.078 1.00 64.14 C ATOM 1366 C VAL A 85 3.516 -7.790 -12.367 1.00 32.53 C ATOM 1367 O VAL A 85 4.065 -6.803 -12.853 1.00 44.51 O ATOM 1368 CB VAL A 85 0.994 -7.680 -12.674 1.00 24.21 C ATOM 1369 CG1 VAL A 85 -0.165 -8.110 -13.580 1.00 11.55 C ATOM 1370 CG2 VAL A 85 0.621 -7.907 -11.206 1.00 43.45 C ATOM 0 H VAL A 85 1.362 -10.111 -12.360 1.00 4.04 H new ATOM 0 HA VAL A 85 2.458 -8.220 -14.143 1.00 64.14 H new ATOM 0 HB VAL A 85 1.177 -6.613 -12.799 1.00 24.21 H new ATOM 0 HG11 VAL A 85 -1.076 -7.595 -13.275 1.00 11.55 H new ATOM 0 HG12 VAL A 85 0.067 -7.855 -14.614 1.00 11.55 H new ATOM 0 HG13 VAL A 85 -0.312 -9.187 -13.496 1.00 11.55 H new ATOM 0 HG21 VAL A 85 -0.307 -7.381 -10.981 1.00 43.45 H new ATOM 0 HG22 VAL A 85 0.487 -8.974 -11.025 1.00 43.45 H new ATOM 0 HG23 VAL A 85 1.417 -7.528 -10.565 1.00 43.45 H new ATOM 1380 N THR A 86 3.954 -8.370 -11.238 1.00 34.10 N ATOM 1381 CA THR A 86 5.171 -7.924 -10.562 1.00 3.23 C ATOM 1382 C THR A 86 6.407 -8.228 -11.416 1.00 64.21 C ATOM 1383 O THR A 86 7.380 -7.477 -11.376 1.00 33.12 O ATOM 1384 CB THR A 86 5.303 -8.540 -9.162 1.00 35.30 C ATOM 1385 OG1 THR A 86 5.440 -9.944 -9.234 1.00 2.03 O ATOM 1386 CG2 THR A 86 4.120 -8.162 -8.267 1.00 34.43 C ATOM 0 H THR A 86 3.480 -9.148 -10.779 1.00 34.10 H new ATOM 0 HA THR A 86 5.100 -6.844 -10.433 1.00 3.23 H new ATOM 0 HB THR A 86 6.207 -8.129 -8.713 1.00 35.30 H new ATOM 0 HG1 THR A 86 4.556 -10.363 -9.173 1.00 2.03 H new ATOM 0 HG21 THR A 86 4.248 -8.616 -7.284 1.00 34.43 H new ATOM 0 HG22 THR A 86 4.074 -7.078 -8.163 1.00 34.43 H new ATOM 0 HG23 THR A 86 3.194 -8.523 -8.716 1.00 34.43 H new ATOM 1394 N LEU A 87 6.354 -9.313 -12.201 1.00 71.21 N ATOM 1395 CA LEU A 87 7.381 -9.676 -13.166 1.00 52.51 C ATOM 1396 C LEU A 87 7.125 -8.948 -14.490 1.00 4.23 C ATOM 1397 O LEU A 87 6.179 -8.171 -14.615 1.00 24.20 O ATOM 1398 CB LEU A 87 7.376 -11.198 -13.379 1.00 54.04 C ATOM 1399 CG LEU A 87 7.370 -12.015 -12.076 1.00 20.44 C ATOM 1400 CD1 LEU A 87 7.184 -13.491 -12.439 1.00 44.12 C ATOM 1401 CD2 LEU A 87 8.663 -11.813 -11.277 1.00 54.22 C ATOM 0 H LEU A 87 5.576 -9.972 -12.176 1.00 71.21 H new ATOM 0 HA LEU A 87 8.359 -9.379 -12.787 1.00 52.51 H new ATOM 0 HB2 LEU A 87 6.500 -11.469 -13.969 1.00 54.04 H new ATOM 0 HB3 LEU A 87 8.253 -11.475 -13.965 1.00 54.04 H new ATOM 0 HG LEU A 87 6.552 -11.676 -11.441 1.00 20.44 H new ATOM 0 HD11 LEU A 87 7.177 -14.091 -11.529 1.00 44.12 H new ATOM 0 HD12 LEU A 87 6.239 -13.620 -12.966 1.00 44.12 H new ATOM 0 HD13 LEU A 87 8.004 -13.814 -13.080 1.00 44.12 H new ATOM 0 HD21 LEU A 87 8.622 -12.406 -10.363 1.00 54.22 H new ATOM 0 HD22 LEU A 87 9.515 -12.130 -11.878 1.00 54.22 H new ATOM 0 HD23 LEU A 87 8.772 -10.759 -11.021 1.00 54.22 H new ATOM 1413 N SER A 88 7.975 -9.225 -15.484 1.00 21.32 N ATOM 1414 CA SER A 88 7.850 -8.725 -16.846 1.00 15.10 C ATOM 1415 C SER A 88 8.152 -9.871 -17.808 1.00 33.33 C ATOM 1416 O SER A 88 7.366 -10.157 -18.710 1.00 24.44 O ATOM 1417 CB SER A 88 8.809 -7.547 -17.060 1.00 33.23 C ATOM 1418 OG SER A 88 8.501 -6.498 -16.167 1.00 23.33 O ATOM 0 H SER A 88 8.792 -9.822 -15.353 1.00 21.32 H new ATOM 0 HA SER A 88 6.839 -8.362 -17.030 1.00 15.10 H new ATOM 0 HB2 SER A 88 9.838 -7.874 -16.907 1.00 33.23 H new ATOM 0 HB3 SER A 88 8.737 -7.192 -18.088 1.00 33.23 H new ATOM 0 HG SER A 88 9.121 -5.753 -16.312 1.00 23.33 H new ATOM 1424 N GLN A 89 9.291 -10.535 -17.586 1.00 25.20 N ATOM 1425 CA GLN A 89 9.713 -11.713 -18.325 1.00 71.35 C ATOM 1426 C GLN A 89 8.945 -12.942 -17.824 1.00 41.22 C ATOM 1427 O GLN A 89 8.663 -13.029 -16.628 1.00 51.14 O ATOM 1428 CB GLN A 89 11.238 -11.889 -18.205 1.00 42.24 C ATOM 1429 CG GLN A 89 11.752 -12.479 -16.877 1.00 41.13 C ATOM 1430 CD GLN A 89 11.421 -11.635 -15.646 1.00 34.32 C ATOM 1431 OE1 GLN A 89 10.756 -12.107 -14.727 1.00 20.11 O ATOM 1432 NE2 GLN A 89 11.898 -10.388 -15.614 1.00 34.44 N ATOM 0 H GLN A 89 9.957 -10.255 -16.867 1.00 25.20 H new ATOM 0 HA GLN A 89 9.482 -11.591 -19.383 1.00 71.35 H new ATOM 0 HB2 GLN A 89 11.574 -12.532 -19.018 1.00 42.24 H new ATOM 0 HB3 GLN A 89 11.708 -10.917 -18.353 1.00 42.24 H new ATOM 0 HG2 GLN A 89 11.327 -13.474 -16.746 1.00 41.13 H new ATOM 0 HG3 GLN A 89 12.833 -12.600 -16.941 1.00 41.13 H new ATOM 0 HE21 GLN A 89 12.446 -10.031 -16.397 1.00 34.44 H new ATOM 0 HE22 GLN A 89 11.714 -9.792 -14.807 1.00 34.44 H new ATOM 1441 N PRO A 90 8.607 -13.906 -18.699 1.00 62.24 N ATOM 1442 CA PRO A 90 7.980 -15.148 -18.285 1.00 11.22 C ATOM 1443 C PRO A 90 9.013 -16.001 -17.547 1.00 53.12 C ATOM 1444 O PRO A 90 10.071 -16.298 -18.102 1.00 13.01 O ATOM 1445 CB PRO A 90 7.501 -15.814 -19.579 1.00 14.14 C ATOM 1446 CG PRO A 90 8.490 -15.303 -20.627 1.00 2.12 C ATOM 1447 CD PRO A 90 8.813 -13.888 -20.139 1.00 52.31 C ATOM 0 HA PRO A 90 7.142 -15.004 -17.603 1.00 11.22 H new ATOM 0 HB2 PRO A 90 7.522 -16.901 -19.503 1.00 14.14 H new ATOM 0 HB3 PRO A 90 6.477 -15.531 -19.821 1.00 14.14 H new ATOM 0 HG2 PRO A 90 9.383 -15.926 -20.676 1.00 2.12 H new ATOM 0 HG3 PRO A 90 8.052 -15.295 -21.625 1.00 2.12 H new ATOM 0 HD2 PRO A 90 9.840 -13.615 -20.383 1.00 52.31 H new ATOM 0 HD3 PRO A 90 8.166 -13.153 -20.617 1.00 52.31 H new ATOM 1455 N LYS A 91 8.732 -16.359 -16.288 1.00 64.31 N ATOM 1456 CA LYS A 91 9.701 -17.032 -15.439 1.00 60.41 C ATOM 1457 C LYS A 91 9.538 -18.536 -15.628 1.00 55.44 C ATOM 1458 O LYS A 91 8.602 -19.133 -15.100 1.00 42.42 O ATOM 1459 CB LYS A 91 9.525 -16.579 -13.985 1.00 63.22 C ATOM 1460 CG LYS A 91 10.690 -17.049 -13.104 1.00 21.35 C ATOM 1461 CD LYS A 91 10.521 -16.616 -11.641 1.00 11.55 C ATOM 1462 CE LYS A 91 10.619 -15.095 -11.471 1.00 55.22 C ATOM 1463 NZ LYS A 91 10.587 -14.704 -10.052 1.00 24.14 N ATOM 0 H LYS A 91 7.832 -16.189 -15.839 1.00 64.31 H new ATOM 0 HA LYS A 91 10.722 -16.770 -15.715 1.00 60.41 H new ATOM 0 HB2 LYS A 91 9.455 -15.492 -13.948 1.00 63.22 H new ATOM 0 HB3 LYS A 91 8.588 -16.973 -13.591 1.00 63.22 H new ATOM 0 HG2 LYS A 91 10.766 -18.135 -13.153 1.00 21.35 H new ATOM 0 HG3 LYS A 91 11.624 -16.646 -13.495 1.00 21.35 H new ATOM 0 HD2 LYS A 91 9.555 -16.959 -11.272 1.00 11.55 H new ATOM 0 HD3 LYS A 91 11.285 -17.098 -11.031 1.00 11.55 H new ATOM 0 HE2 LYS A 91 11.542 -14.736 -11.927 1.00 55.22 H new ATOM 0 HE3 LYS A 91 9.795 -14.616 -12.000 1.00 55.22 H new ATOM 0 HZ1 LYS A 91 10.655 -13.669 -9.975 1.00 24.14 H new ATOM 0 HZ2 LYS A 91 9.695 -15.025 -9.624 1.00 24.14 H new ATOM 0 HZ3 LYS A 91 11.388 -15.142 -9.553 1.00 24.14 H new ATOM 1477 N ILE A 92 10.444 -19.131 -16.412 1.00 60.33 N ATOM 1478 CA ILE A 92 10.429 -20.548 -16.733 1.00 4.14 C ATOM 1479 C ILE A 92 11.084 -21.292 -15.568 1.00 51.33 C ATOM 1480 O ILE A 92 12.300 -21.482 -15.551 1.00 11.42 O ATOM 1481 CB ILE A 92 11.134 -20.789 -18.083 1.00 42.21 C ATOM 1482 CG1 ILE A 92 10.631 -19.856 -19.204 1.00 15.00 C ATOM 1483 CG2 ILE A 92 10.974 -22.257 -18.499 1.00 63.24 C ATOM 1484 CD1 ILE A 92 9.104 -19.750 -19.313 1.00 3.54 C ATOM 0 H ILE A 92 11.218 -18.626 -16.844 1.00 60.33 H new ATOM 0 HA ILE A 92 9.413 -20.925 -16.854 1.00 4.14 H new ATOM 0 HB ILE A 92 12.189 -20.556 -17.938 1.00 42.21 H new ATOM 0 HG12 ILE A 92 11.040 -18.859 -19.039 1.00 15.00 H new ATOM 0 HG13 ILE A 92 11.026 -20.209 -20.157 1.00 15.00 H new ATOM 0 HG21 ILE A 92 11.474 -22.421 -19.453 1.00 63.24 H new ATOM 0 HG22 ILE A 92 11.419 -22.901 -17.740 1.00 63.24 H new ATOM 0 HG23 ILE A 92 9.915 -22.493 -18.599 1.00 63.24 H new ATOM 0 HD11 ILE A 92 8.843 -19.074 -20.127 1.00 3.54 H new ATOM 0 HD12 ILE A 92 8.684 -20.736 -19.512 1.00 3.54 H new ATOM 0 HD13 ILE A 92 8.698 -19.365 -18.377 1.00 3.54 H new ATOM 1496 N VAL A 93 10.274 -21.675 -14.575 1.00 73.14 N ATOM 1497 CA VAL A 93 10.752 -22.281 -13.345 1.00 60.53 C ATOM 1498 C VAL A 93 11.096 -23.735 -13.618 1.00 34.15 C ATOM 1499 O VAL A 93 10.255 -24.502 -14.085 1.00 61.32 O ATOM 1500 CB VAL A 93 9.722 -22.179 -12.210 1.00 61.44 C ATOM 1501 CG1 VAL A 93 10.341 -22.697 -10.905 1.00 62.13 C ATOM 1502 CG2 VAL A 93 9.265 -20.738 -11.990 1.00 44.24 C ATOM 0 H VAL A 93 9.260 -21.568 -14.611 1.00 73.14 H new ATOM 0 HA VAL A 93 11.638 -21.738 -13.015 1.00 60.53 H new ATOM 0 HB VAL A 93 8.858 -22.780 -12.495 1.00 61.44 H new ATOM 0 HG11 VAL A 93 9.609 -22.624 -10.101 1.00 62.13 H new ATOM 0 HG12 VAL A 93 10.638 -23.738 -11.031 1.00 62.13 H new ATOM 0 HG13 VAL A 93 11.216 -22.098 -10.654 1.00 62.13 H new ATOM 0 HG21 VAL A 93 8.537 -20.707 -11.179 1.00 44.24 H new ATOM 0 HG22 VAL A 93 10.124 -20.120 -11.730 1.00 44.24 H new ATOM 0 HG23 VAL A 93 8.807 -20.358 -12.903 1.00 44.24 H new ATOM 1512 N LYS A 94 12.342 -24.096 -13.311 1.00 71.12 N ATOM 1513 CA LYS A 94 12.872 -25.422 -13.533 1.00 44.14 C ATOM 1514 C LYS A 94 12.397 -26.328 -12.404 1.00 41.43 C ATOM 1515 O LYS A 94 12.896 -26.230 -11.284 1.00 41.03 O ATOM 1516 CB LYS A 94 14.401 -25.360 -13.619 1.00 72.24 C ATOM 1517 CG LYS A 94 14.842 -24.440 -14.764 1.00 72.55 C ATOM 1518 CD LYS A 94 16.358 -24.545 -14.964 1.00 2.04 C ATOM 1519 CE LYS A 94 16.794 -23.759 -16.203 1.00 54.41 C ATOM 1520 NZ LYS A 94 18.259 -23.753 -16.346 1.00 51.41 N ATOM 0 H LYS A 94 13.017 -23.455 -12.893 1.00 71.12 H new ATOM 0 HA LYS A 94 12.513 -25.831 -14.477 1.00 44.14 H new ATOM 0 HB2 LYS A 94 14.809 -24.996 -12.676 1.00 72.24 H new ATOM 0 HB3 LYS A 94 14.802 -26.361 -13.775 1.00 72.24 H new ATOM 0 HG2 LYS A 94 14.325 -24.716 -15.683 1.00 72.55 H new ATOM 0 HG3 LYS A 94 14.567 -23.409 -14.541 1.00 72.55 H new ATOM 0 HD2 LYS A 94 16.874 -24.162 -14.084 1.00 2.04 H new ATOM 0 HD3 LYS A 94 16.644 -25.591 -15.071 1.00 2.04 H new ATOM 0 HE2 LYS A 94 16.342 -24.198 -17.092 1.00 54.41 H new ATOM 0 HE3 LYS A 94 16.429 -22.734 -16.133 1.00 54.41 H new ATOM 0 HZ1 LYS A 94 18.523 -23.213 -17.195 1.00 51.41 H new ATOM 0 HZ2 LYS A 94 18.688 -23.312 -15.507 1.00 51.41 H new ATOM 0 HZ3 LYS A 94 18.603 -24.730 -16.437 1.00 51.41 H new ATOM 1534 N TRP A 95 11.430 -27.195 -12.728 1.00 32.44 N ATOM 1535 CA TRP A 95 10.966 -28.310 -11.913 1.00 74.42 C ATOM 1536 C TRP A 95 12.139 -28.979 -11.189 1.00 4.40 C ATOM 1537 O TRP A 95 12.953 -29.645 -11.827 1.00 13.12 O ATOM 1538 CB TRP A 95 10.225 -29.303 -12.829 1.00 54.13 C ATOM 1539 CG TRP A 95 10.062 -30.703 -12.317 1.00 13.02 C ATOM 1540 CD1 TRP A 95 9.627 -31.050 -11.087 1.00 24.44 C ATOM 1541 CD2 TRP A 95 10.399 -31.957 -12.982 1.00 11.52 C ATOM 1542 NE1 TRP A 95 9.720 -32.412 -10.917 1.00 43.14 N ATOM 1543 CE2 TRP A 95 10.202 -33.024 -12.056 1.00 21.41 C ATOM 1544 CE3 TRP A 95 10.886 -32.301 -14.263 1.00 3.32 C ATOM 1545 CZ2 TRP A 95 10.509 -34.357 -12.372 1.00 21.22 C ATOM 1546 CZ3 TRP A 95 11.174 -33.638 -14.598 1.00 1.31 C ATOM 1547 CH2 TRP A 95 11.012 -34.660 -13.647 1.00 20.43 C ATOM 0 H TRP A 95 10.928 -27.129 -13.613 1.00 32.44 H new ATOM 0 HA TRP A 95 10.283 -27.953 -11.142 1.00 74.42 H new ATOM 0 HB2 TRP A 95 9.234 -28.899 -13.036 1.00 54.13 H new ATOM 0 HB3 TRP A 95 10.756 -29.349 -13.780 1.00 54.13 H new ATOM 0 HD1 TRP A 95 9.259 -30.358 -10.344 1.00 24.44 H new ATOM 0 HE1 TRP A 95 9.466 -32.905 -10.061 1.00 43.14 H new ATOM 0 HE3 TRP A 95 11.040 -31.525 -14.998 1.00 3.32 H new ATOM 0 HZ2 TRP A 95 10.360 -35.140 -11.643 1.00 21.22 H new ATOM 0 HZ3 TRP A 95 11.521 -33.880 -15.592 1.00 1.31 H new ATOM 0 HH2 TRP A 95 11.274 -35.677 -13.897 1.00 20.43 H new ATOM 1558 N ASP A 96 12.212 -28.798 -9.861 1.00 2.12 N ATOM 1559 CA ASP A 96 13.192 -29.470 -9.023 1.00 23.30 C ATOM 1560 C ASP A 96 12.857 -30.964 -8.998 1.00 44.24 C ATOM 1561 O ASP A 96 11.906 -31.399 -8.352 1.00 52.32 O ATOM 1562 CB ASP A 96 13.321 -28.806 -7.640 1.00 74.32 C ATOM 1563 CG ASP A 96 12.004 -28.596 -6.893 1.00 32.24 C ATOM 1564 OD1 ASP A 96 11.460 -27.475 -7.006 1.00 31.50 O ATOM 1565 OD2 ASP A 96 11.580 -29.541 -6.194 1.00 55.15 O ATOM 0 H ASP A 96 11.587 -28.178 -9.346 1.00 2.12 H new ATOM 0 HA ASP A 96 14.193 -29.368 -9.442 1.00 23.30 H new ATOM 0 HB2 ASP A 96 13.978 -29.417 -7.021 1.00 74.32 H new ATOM 0 HB3 ASP A 96 13.808 -27.839 -7.763 1.00 74.32 H new ATOM 1570 N ARG A 97 13.621 -31.720 -9.792 1.00 15.42 N ATOM 1571 CA ARG A 97 13.344 -33.093 -10.192 1.00 11.10 C ATOM 1572 C ARG A 97 14.076 -34.117 -9.318 1.00 60.43 C ATOM 1573 O ARG A 97 14.305 -35.237 -9.769 1.00 73.41 O ATOM 1574 CB ARG A 97 13.683 -33.243 -11.691 1.00 62.34 C ATOM 1575 CG ARG A 97 15.013 -32.633 -12.175 1.00 52.23 C ATOM 1576 CD ARG A 97 16.265 -33.125 -11.443 1.00 24.34 C ATOM 1577 NE ARG A 97 16.460 -34.570 -11.623 1.00 62.11 N ATOM 1578 CZ ARG A 97 17.079 -35.391 -10.756 1.00 15.22 C ATOM 1579 NH1 ARG A 97 17.664 -34.920 -9.645 1.00 34.20 N ATOM 1580 NH2 ARG A 97 17.096 -36.709 -10.997 1.00 54.32 N ATOM 0 H ARG A 97 14.492 -31.369 -10.190 1.00 15.42 H new ATOM 0 HA ARG A 97 12.285 -33.304 -10.042 1.00 11.10 H new ATOM 0 HB2 ARG A 97 13.691 -34.306 -11.931 1.00 62.34 H new ATOM 0 HB3 ARG A 97 12.875 -32.793 -12.267 1.00 62.34 H new ATOM 0 HG2 ARG A 97 15.126 -32.847 -13.238 1.00 52.23 H new ATOM 0 HG3 ARG A 97 14.955 -31.549 -12.073 1.00 52.23 H new ATOM 0 HD2 ARG A 97 17.139 -32.590 -11.814 1.00 24.34 H new ATOM 0 HD3 ARG A 97 16.180 -32.898 -10.380 1.00 24.34 H new ATOM 0 HE ARG A 97 16.094 -34.986 -12.479 1.00 62.11 H new ATOM 0 HH11 ARG A 97 17.645 -33.920 -9.443 1.00 34.20 H new ATOM 0 HH12 ARG A 97 18.128 -35.561 -9.002 1.00 34.20 H new ATOM 0 HH21 ARG A 97 16.642 -37.081 -11.831 1.00 54.32 H new ATOM 0 HH22 ARG A 97 17.563 -37.341 -10.346 1.00 54.32 H new ATOM 1594 N ASP A 98 14.444 -33.722 -8.089 1.00 2.40 N ATOM 1595 CA ASP A 98 15.375 -34.396 -7.185 1.00 15.32 C ATOM 1596 C ASP A 98 15.314 -35.925 -7.250 1.00 13.10 C ATOM 1597 O ASP A 98 16.349 -36.567 -7.429 1.00 44.44 O ATOM 1598 CB ASP A 98 15.165 -33.888 -5.753 1.00 72.55 C ATOM 1599 CG ASP A 98 15.298 -32.368 -5.660 1.00 71.41 C ATOM 1600 OD1 ASP A 98 16.322 -31.850 -6.156 1.00 52.12 O ATOM 1601 OD2 ASP A 98 14.369 -31.748 -5.099 1.00 22.33 O ATOM 0 H ASP A 98 14.071 -32.866 -7.678 1.00 2.40 H new ATOM 0 HA ASP A 98 16.380 -34.141 -7.522 1.00 15.32 H new ATOM 0 HB2 ASP A 98 14.177 -34.188 -5.403 1.00 72.55 H new ATOM 0 HB3 ASP A 98 15.893 -34.357 -5.091 1.00 72.55 H new ATOM 1606 N MET A 99 14.108 -36.493 -7.126 1.00 15.12 N ATOM 1607 CA MET A 99 13.853 -37.921 -7.262 1.00 22.51 C ATOM 1608 C MET A 99 12.767 -38.146 -8.316 1.00 44.24 C ATOM 1609 O MET A 99 11.772 -37.386 -8.301 1.00 13.40 O ATOM 1610 CB MET A 99 13.448 -38.506 -5.905 1.00 51.04 C ATOM 1611 CG MET A 99 14.551 -38.312 -4.854 1.00 21.43 C ATOM 1612 SD MET A 99 14.256 -39.135 -3.265 1.00 61.24 S ATOM 1613 CE MET A 99 12.846 -38.171 -2.656 1.00 55.33 C ATOM 1614 OXT MET A 99 12.954 -39.080 -9.123 1.00 0.00 O ATOM 0 H MET A 99 13.266 -35.954 -6.923 1.00 15.12 H new ATOM 0 HA MET A 99 14.758 -38.432 -7.591 1.00 22.51 H new ATOM 0 HB2 MET A 99 12.530 -38.029 -5.562 1.00 51.04 H new ATOM 0 HB3 MET A 99 13.233 -39.569 -6.016 1.00 51.04 H new ATOM 0 HG2 MET A 99 15.492 -38.678 -5.266 1.00 21.43 H new ATOM 0 HG3 MET A 99 14.676 -37.244 -4.674 1.00 21.43 H new ATOM 0 HE1 MET A 99 12.595 -38.492 -1.645 1.00 55.33 H new ATOM 0 HE2 MET A 99 13.106 -37.112 -2.647 1.00 55.33 H new ATOM 0 HE3 MET A 99 11.988 -38.328 -3.310 1.00 55.33 H new TER 1624 MET A 99