USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1001 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 118 LYS NZ :NH3+ -112:sc= 0.185 (180deg=-0.05) USER MOD Set 1.2: A 119 ASN : amide:sc= -0.161 K(o=0.025,f=-0.85) USER MOD Set 2.1: A 56 ASN : amide:sc= 0.0364 K(o=-2.2,f=-1.1) USER MOD Set 2.2: A 106 GLN : amide:sc= -2.22! K(o=-2.2!,f=-1.1) USER MOD Set 3.1: A 27 GLN : amide:sc= -0.229 X(o=-0.63,f=-0.92) USER MOD Set 3.2: A 67 TYR OH : rot 30:sc= -0.405 USER MOD Single : A 1 ALA N :NH3+ -99:sc= 0.102 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.122) USER MOD Single : A 34 THR OG1 : rot 43:sc= 0.0373 USER MOD Single : A 35 THR OG1 : rot -140:sc= -0.225 USER MOD Single : A 37 LYS NZ :NH3+ -162:sc= 0.107 (180deg=-0.063) USER MOD Single : A 38 SER OG : rot -86:sc= 0.664 USER MOD Single : A 42 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.4) USER MOD Single : A 44 TYR OH : rot 15:sc= -2.17! USER MOD Single : A 49 HIS : no HD1:sc= -0.0259 X(o=-0.026,f=-0.026) USER MOD Single : A 55 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.0025) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 74:sc= -0.216 USER MOD Single : A 74 LYS NZ :NH3+ -128:sc= 1.88 (180deg=-0.652) USER MOD Single : A 75 ASN : amide:sc= -0.0301 X(o=-0.03,f=-0.081) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc=-0.00173 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.344 K(o=-0.34,f=-1.4) USER MOD Single : A 87 GLN : amide:sc= -0.478 K(o=-0.48,f=-4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 174:sc= 0.933 USER MOD Single : A 98 TYR OH : rot 30:sc= -0.0685 USER MOD Single : A 100 ASN : amide:sc= -2.74! C(o=-2.7!,f=-7.1!) USER MOD Single : A 101 SER OG : rot 180:sc= -1.75! USER MOD Single : A 107 TYR OH : rot -130:sc= -0.735 USER MOD Single : A 111 MET CE :methyl -174:sc= -1.07 (180deg=-1.13) USER MOD Single : A 112 THR OG1 : rot 180:sc=-0.00513 USER MOD Single : A 113 HIS : no HD1:sc= -7.4! C(o=-7.4!,f=-18!) USER MOD Single : A 114 SER OG : rot 119:sc= -0.112 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= 0.312 K(o=0.31,f=-0.94) USER MOD Single : A 121 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 167:sc= 1.22 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.925 11.807 3.238 1.00 0.00 N ATOM 2 CA ALA A 1 -14.764 11.766 1.769 1.00 0.00 C ATOM 3 C ALA A 1 -13.860 10.614 1.377 1.00 0.00 C ATOM 4 O ALA A 1 -13.015 10.255 2.179 1.00 0.00 O ATOM 5 CB ALA A 1 -14.232 13.106 1.233 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.825 11.357 3.501 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.138 11.297 3.688 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.925 12.796 3.560 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.742 11.603 1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.123 13.047 0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.932 13.902 1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.263 13.319 1.684 1.00 0.00 H new ATOM 13 N PRO A 2 -14.037 10.053 0.166 1.00 0.00 N ATOM 14 CA PRO A 2 -13.195 8.992 -0.378 1.00 0.00 C ATOM 15 C PRO A 2 -11.771 9.440 -0.743 1.00 0.00 C ATOM 16 O PRO A 2 -10.962 8.617 -1.156 1.00 0.00 O ATOM 17 CB PRO A 2 -13.895 8.489 -1.644 1.00 0.00 C ATOM 18 CG PRO A 2 -14.681 9.714 -2.111 1.00 0.00 C ATOM 19 CD PRO A 2 -15.046 10.428 -0.811 1.00 0.00 C ATOM 0 HA PRO A 2 -13.076 8.227 0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.179 8.158 -2.396 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -14.551 7.644 -1.434 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.081 10.350 -2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.570 9.429 -2.674 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.064 11.508 -0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -16.040 10.135 -0.474 1.00 0.00 H new ATOM 27 N ILE A 3 -11.488 10.738 -0.651 1.00 0.00 N ATOM 28 CA ILE A 3 -10.173 11.315 -0.861 1.00 0.00 C ATOM 29 C ILE A 3 -9.425 11.421 0.470 1.00 0.00 C ATOM 30 O ILE A 3 -9.913 12.015 1.433 1.00 0.00 O ATOM 31 CB ILE A 3 -10.317 12.672 -1.585 1.00 0.00 C ATOM 32 CG1 ILE A 3 -8.941 13.111 -2.134 1.00 0.00 C ATOM 33 CG2 ILE A 3 -10.892 13.767 -0.655 1.00 0.00 C ATOM 34 CD1 ILE A 3 -8.503 12.296 -3.364 1.00 0.00 C ATOM 0 H ILE A 3 -12.196 11.436 -0.420 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.573 10.669 -1.502 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.021 12.542 -2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.981 14.168 -2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.192 13.007 -1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.976 14.704 -1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.878 13.464 -0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.228 13.906 0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.530 12.648 -3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.434 11.242 -3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.235 12.420 -4.162 1.00 0.00 H new ATOM 46 N VAL A 4 -8.234 10.850 0.495 1.00 0.00 N ATOM 47 CA VAL A 4 -7.328 10.911 1.641 1.00 0.00 C ATOM 48 C VAL A 4 -5.982 11.495 1.265 1.00 0.00 C ATOM 49 O VAL A 4 -5.793 11.911 0.113 1.00 0.00 O ATOM 50 CB VAL A 4 -7.226 9.515 2.270 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.493 9.230 3.069 1.00 0.00 C ATOM 52 CG2 VAL A 4 -6.955 8.373 1.292 1.00 0.00 C ATOM 0 H VAL A 4 -7.858 10.320 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.732 11.592 2.390 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.346 9.545 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.425 8.239 3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.603 9.977 3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.358 9.270 2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.901 7.431 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.761 8.322 0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.009 8.549 0.780 1.00 0.00 H new ATOM 62 N THR A 5 -5.054 11.546 2.225 1.00 0.00 N ATOM 63 CA THR A 5 -3.685 11.990 1.990 1.00 0.00 C ATOM 64 C THR A 5 -2.703 11.414 3.001 1.00 0.00 C ATOM 65 O THR A 5 -2.780 11.697 4.188 1.00 0.00 O ATOM 66 CB THR A 5 -3.550 13.520 1.925 1.00 0.00 C ATOM 67 OG1 THR A 5 -4.199 14.250 2.930 1.00 0.00 O ATOM 68 CG2 THR A 5 -4.075 14.081 0.603 1.00 0.00 C ATOM 0 H THR A 5 -5.237 11.278 3.192 1.00 0.00 H new ATOM 0 HA THR A 5 -3.426 11.598 1.007 1.00 0.00 H new ATOM 0 HB THR A 5 -2.475 13.649 2.051 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.044 15.208 2.790 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.962 15.165 0.597 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.509 13.652 -0.224 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.129 13.826 0.492 1.00 0.00 H new ATOM 76 N CYS A 6 -1.683 10.691 2.537 1.00 0.00 N ATOM 77 CA CYS A 6 -0.707 10.141 3.476 1.00 0.00 C ATOM 78 C CYS A 6 0.076 11.284 4.147 1.00 0.00 C ATOM 79 O CYS A 6 0.114 12.392 3.611 1.00 0.00 O ATOM 80 CB CYS A 6 0.185 9.148 2.729 1.00 0.00 C ATOM 81 SG CYS A 6 -0.665 7.916 1.686 1.00 0.00 S ATOM 0 H CYS A 6 -1.514 10.478 1.554 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.199 9.596 4.282 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.872 9.713 2.099 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.791 8.615 3.462 1.00 0.00 H new ATOM 86 N ARG A 7 0.856 10.982 5.192 1.00 0.00 N ATOM 87 CA ARG A 7 1.810 11.911 5.844 1.00 0.00 C ATOM 88 C ARG A 7 3.309 11.540 5.710 1.00 0.00 C ATOM 89 O ARG A 7 4.036 11.609 6.697 1.00 0.00 O ATOM 90 CB ARG A 7 1.362 12.074 7.294 1.00 0.00 C ATOM 91 CG ARG A 7 1.454 10.728 8.052 1.00 0.00 C ATOM 92 CD ARG A 7 1.759 11.033 9.512 1.00 0.00 C ATOM 93 NE ARG A 7 1.501 9.859 10.356 1.00 0.00 N ATOM 94 CZ ARG A 7 1.361 9.893 11.664 1.00 0.00 C ATOM 95 NH1 ARG A 7 1.450 10.999 12.342 1.00 0.00 N ATOM 96 NH2 ARG A 7 1.122 8.806 12.329 1.00 0.00 N ATOM 0 H ARG A 7 0.847 10.059 5.626 1.00 0.00 H new ATOM 0 HA ARG A 7 1.772 12.862 5.313 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.984 12.819 7.790 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.337 12.444 7.323 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.518 10.176 7.965 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.235 10.101 7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.800 11.338 9.614 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.147 11.870 9.849 1.00 0.00 H new ATOM 0 HE ARG A 7 1.425 8.952 9.895 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.634 11.879 11.860 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.336 10.986 13.356 1.00 0.00 H new ATOM 0 HH21 ARG A 7 1.041 7.915 11.838 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.015 8.841 13.343 1.00 0.00 H new ATOM 110 N PRO A 8 3.783 11.116 4.527 1.00 0.00 N ATOM 111 CA PRO A 8 5.160 10.723 4.291 1.00 0.00 C ATOM 112 C PRO A 8 6.117 11.911 4.459 1.00 0.00 C ATOM 113 O PRO A 8 5.718 13.052 4.723 1.00 0.00 O ATOM 114 CB PRO A 8 5.177 10.182 2.858 1.00 0.00 C ATOM 115 CG PRO A 8 4.077 10.951 2.167 1.00 0.00 C ATOM 116 CD PRO A 8 3.070 11.102 3.276 1.00 0.00 C ATOM 0 HA PRO A 8 5.500 9.975 5.008 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.142 10.348 2.380 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.990 9.108 2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.423 11.915 1.794 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.670 10.407 1.315 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.501 12.024 3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.354 10.280 3.255 1.00 0.00 H new ATOM 124 N LYS A 9 7.406 11.656 4.224 1.00 0.00 N ATOM 125 CA LYS A 9 8.478 12.646 4.298 1.00 0.00 C ATOM 126 C LYS A 9 9.168 12.890 2.961 1.00 0.00 C ATOM 127 O LYS A 9 9.972 12.075 2.500 1.00 0.00 O ATOM 128 CB LYS A 9 9.493 12.185 5.342 1.00 0.00 C ATOM 129 CG LYS A 9 10.538 13.268 5.617 1.00 0.00 C ATOM 130 CD LYS A 9 10.047 14.143 6.768 1.00 0.00 C ATOM 131 CE LYS A 9 10.460 13.602 8.131 1.00 0.00 C ATOM 132 NZ LYS A 9 9.610 14.175 9.209 1.00 0.00 N ATOM 0 H LYS A 9 7.741 10.727 3.970 1.00 0.00 H new ATOM 0 HA LYS A 9 8.032 13.599 4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.976 11.932 6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.988 11.278 4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.496 12.813 5.870 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.699 13.873 4.725 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.441 15.152 6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.960 14.218 6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.377 12.515 8.136 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.506 13.843 8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.910 13.792 10.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.709 15.210 9.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.615 13.924 9.037 1.00 0.00 H new ATOM 146 N LEU A 10 8.952 14.080 2.418 1.00 0.00 N ATOM 147 CA LEU A 10 9.617 14.456 1.179 1.00 0.00 C ATOM 148 C LEU A 10 10.877 15.273 1.499 1.00 0.00 C ATOM 149 O LEU A 10 12.003 14.767 1.509 1.00 0.00 O ATOM 150 CB LEU A 10 8.579 15.129 0.253 1.00 0.00 C ATOM 151 CG LEU A 10 9.012 15.293 -1.232 1.00 0.00 C ATOM 152 CD1 LEU A 10 10.535 15.363 -1.476 1.00 0.00 C ATOM 153 CD2 LEU A 10 8.388 14.192 -2.106 1.00 0.00 C ATOM 0 H LEU A 10 8.333 14.791 2.808 1.00 0.00 H new ATOM 0 HA LEU A 10 9.990 13.597 0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.659 14.545 0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.344 16.114 0.656 1.00 0.00 H new ATOM 0 HG LEU A 10 8.630 16.272 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.728 15.477 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.951 16.215 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.003 14.446 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.704 14.326 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.716 13.215 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.301 14.253 -2.048 1.00 0.00 H new ATOM 165 N ASP A 11 10.659 16.545 1.816 1.00 0.00 N ATOM 166 CA ASP A 11 11.694 17.577 1.910 1.00 0.00 C ATOM 167 C ASP A 11 12.020 17.804 3.375 1.00 0.00 C ATOM 168 O ASP A 11 11.816 18.878 3.936 1.00 0.00 O ATOM 169 CB ASP A 11 11.294 18.877 1.179 1.00 0.00 C ATOM 170 CG ASP A 11 9.775 19.186 1.209 1.00 0.00 C ATOM 171 OD1 ASP A 11 9.042 18.659 0.338 1.00 0.00 O ATOM 172 OD2 ASP A 11 9.303 19.877 2.144 1.00 0.00 O ATOM 0 H ASP A 11 9.726 16.901 2.022 1.00 0.00 H new ATOM 0 HA ASP A 11 12.593 17.234 1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.831 19.712 1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.619 18.810 0.141 1.00 0.00 H new ATOM 177 N GLY A 12 12.453 16.739 4.053 1.00 0.00 N ATOM 178 CA GLY A 12 12.688 16.817 5.502 1.00 0.00 C ATOM 179 C GLY A 12 11.478 17.308 6.317 1.00 0.00 C ATOM 180 O GLY A 12 11.621 17.589 7.506 1.00 0.00 O ATOM 0 H GLY A 12 12.646 15.829 3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.979 15.831 5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.530 17.485 5.686 1.00 0.00 H new ATOM 184 N ARG A 13 10.278 17.319 5.719 1.00 0.00 N ATOM 185 CA ARG A 13 9.014 17.733 6.308 1.00 0.00 C ATOM 186 C ARG A 13 7.884 16.805 5.877 1.00 0.00 C ATOM 187 O ARG A 13 8.014 16.031 4.926 1.00 0.00 O ATOM 188 CB ARG A 13 8.735 19.177 5.864 1.00 0.00 C ATOM 189 CG ARG A 13 8.067 19.955 7.007 1.00 0.00 C ATOM 190 CD ARG A 13 7.290 21.147 6.452 1.00 0.00 C ATOM 191 NE ARG A 13 8.180 22.256 6.055 1.00 0.00 N ATOM 192 CZ ARG A 13 7.790 23.497 5.834 1.00 0.00 C ATOM 193 NH1 ARG A 13 6.541 23.846 5.950 1.00 0.00 N ATOM 194 NH2 ARG A 13 8.642 24.417 5.497 1.00 0.00 N ATOM 0 H ARG A 13 10.167 17.019 4.751 1.00 0.00 H new ATOM 0 HA ARG A 13 9.074 17.681 7.395 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.666 19.665 5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.090 19.178 4.986 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.394 19.298 7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.823 20.301 7.711 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.704 20.827 5.590 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.585 21.501 7.204 1.00 0.00 H new ATOM 0 HE ARG A 13 9.172 22.047 5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.841 23.154 6.217 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.263 24.811 5.774 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.631 24.185 5.399 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.323 25.371 5.330 1.00 0.00 H new ATOM 208 N GLU A 14 6.791 16.865 6.622 1.00 0.00 N ATOM 209 CA GLU A 14 5.600 16.066 6.378 1.00 0.00 C ATOM 210 C GLU A 14 4.897 16.557 5.114 1.00 0.00 C ATOM 211 O GLU A 14 4.315 17.650 5.085 1.00 0.00 O ATOM 212 CB GLU A 14 4.648 16.113 7.576 1.00 0.00 C ATOM 213 CG GLU A 14 5.343 15.811 8.920 1.00 0.00 C ATOM 214 CD GLU A 14 5.903 17.073 9.597 1.00 0.00 C ATOM 215 OE1 GLU A 14 5.246 18.136 9.556 1.00 0.00 O ATOM 216 OE2 GLU A 14 7.080 16.982 10.013 1.00 0.00 O ATOM 0 H GLU A 14 6.705 17.483 7.429 1.00 0.00 H new ATOM 0 HA GLU A 14 5.903 15.029 6.237 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.187 17.100 7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.844 15.393 7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.632 15.329 9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.155 15.103 8.753 1.00 0.00 H new ATOM 223 N LYS A 15 4.983 15.766 4.043 1.00 0.00 N ATOM 224 CA LYS A 15 4.347 16.110 2.777 1.00 0.00 C ATOM 225 C LYS A 15 3.095 15.269 2.536 1.00 0.00 C ATOM 226 O LYS A 15 3.204 14.055 2.553 1.00 0.00 O ATOM 227 CB LYS A 15 5.352 15.981 1.623 1.00 0.00 C ATOM 228 CG LYS A 15 4.847 16.686 0.350 1.00 0.00 C ATOM 229 CD LYS A 15 4.900 18.224 0.500 1.00 0.00 C ATOM 230 CE LYS A 15 3.935 18.885 -0.491 1.00 0.00 C ATOM 231 NZ LYS A 15 3.569 20.247 -0.030 1.00 0.00 N ATOM 0 H LYS A 15 5.489 14.881 4.031 1.00 0.00 H new ATOM 0 HA LYS A 15 4.023 17.150 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.308 16.410 1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.529 14.927 1.410 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.454 16.381 -0.502 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.824 16.374 0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.637 18.507 1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.915 18.579 0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.398 18.940 -1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.037 18.276 -0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.915 20.680 -0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 3.108 20.186 0.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.427 20.830 0.046 1.00 0.00 H new ATOM 245 N PRO A 16 1.931 15.873 2.235 1.00 0.00 N ATOM 246 CA PRO A 16 0.696 15.165 1.944 1.00 0.00 C ATOM 247 C PRO A 16 0.788 14.363 0.651 1.00 0.00 C ATOM 248 O PRO A 16 1.032 14.930 -0.422 1.00 0.00 O ATOM 249 CB PRO A 16 -0.403 16.223 1.866 1.00 0.00 C ATOM 250 CG PRO A 16 0.360 17.486 1.465 1.00 0.00 C ATOM 251 CD PRO A 16 1.721 17.293 2.117 1.00 0.00 C ATOM 0 HA PRO A 16 0.483 14.435 2.725 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.164 15.961 1.131 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.913 16.346 2.822 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.442 17.580 0.382 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.135 18.387 1.826 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.506 17.751 1.515 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.751 17.770 3.096 1.00 0.00 H new ATOM 259 N PHE A 17 0.538 13.055 0.736 1.00 0.00 N ATOM 260 CA PHE A 17 0.572 12.212 -0.454 1.00 0.00 C ATOM 261 C PHE A 17 -0.822 12.001 -0.994 1.00 0.00 C ATOM 262 O PHE A 17 -1.602 11.341 -0.335 1.00 0.00 O ATOM 263 CB PHE A 17 1.233 10.866 -0.176 1.00 0.00 C ATOM 264 CG PHE A 17 2.128 10.350 -1.285 1.00 0.00 C ATOM 265 CD1 PHE A 17 1.903 10.738 -2.627 1.00 0.00 C ATOM 266 CD2 PHE A 17 3.127 9.393 -0.994 1.00 0.00 C ATOM 267 CE1 PHE A 17 2.712 10.239 -3.653 1.00 0.00 C ATOM 268 CE2 PHE A 17 3.937 8.893 -2.022 1.00 0.00 C ATOM 269 CZ PHE A 17 3.731 9.317 -3.351 1.00 0.00 C ATOM 0 H PHE A 17 0.314 12.566 1.602 1.00 0.00 H new ATOM 0 HA PHE A 17 1.171 12.731 -1.202 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.823 10.950 0.737 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.454 10.128 0.014 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.102 11.424 -2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.266 9.048 0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.555 10.560 -4.672 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.719 8.183 -1.797 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.359 8.932 -4.141 1.00 0.00 H new ATOM 279 N LYS A 18 -1.160 12.561 -2.154 1.00 0.00 N ATOM 280 CA LYS A 18 -2.483 12.416 -2.787 1.00 0.00 C ATOM 281 C LYS A 18 -2.886 10.955 -2.882 1.00 0.00 C ATOM 282 O LYS A 18 -2.205 10.218 -3.580 1.00 0.00 O ATOM 283 CB LYS A 18 -2.472 13.014 -4.198 1.00 0.00 C ATOM 284 CG LYS A 18 -2.037 14.492 -4.203 1.00 0.00 C ATOM 285 CD LYS A 18 -3.183 15.412 -3.753 1.00 0.00 C ATOM 286 CE LYS A 18 -4.117 15.683 -4.943 1.00 0.00 C ATOM 287 NZ LYS A 18 -5.493 15.999 -4.483 1.00 0.00 N ATOM 0 H LYS A 18 -0.517 13.139 -2.695 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.202 12.948 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.797 12.437 -4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.467 12.929 -4.634 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.181 14.624 -3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.713 14.775 -5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.739 14.947 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.782 16.350 -3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.728 16.513 -5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.140 14.811 -5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.102 16.178 -5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.871 15.196 -3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.471 16.845 -3.879 1.00 0.00 H new ATOM 301 N VAL A 19 -3.960 10.556 -2.213 1.00 0.00 N ATOM 302 CA VAL A 19 -4.462 9.173 -2.200 1.00 0.00 C ATOM 303 C VAL A 19 -5.980 9.178 -2.073 1.00 0.00 C ATOM 304 O VAL A 19 -6.625 10.216 -1.915 1.00 0.00 O ATOM 305 CB VAL A 19 -3.807 8.324 -1.066 1.00 0.00 C ATOM 306 CG1 VAL A 19 -2.400 7.894 -1.464 1.00 0.00 C ATOM 307 CG2 VAL A 19 -3.715 9.031 0.285 1.00 0.00 C ATOM 0 H VAL A 19 -4.524 11.192 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.185 8.703 -3.143 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.472 7.469 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.959 7.303 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.446 7.294 -2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.787 8.777 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.247 8.367 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.116 9.936 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.716 9.295 0.626 1.00 0.00 H new ATOM 317 N ASP A 20 -6.583 8.010 -2.184 1.00 0.00 N ATOM 318 CA ASP A 20 -8.019 7.827 -2.172 1.00 0.00 C ATOM 319 C ASP A 20 -8.334 6.457 -1.590 1.00 0.00 C ATOM 320 O ASP A 20 -7.945 5.408 -2.108 1.00 0.00 O ATOM 321 CB ASP A 20 -8.628 7.980 -3.575 1.00 0.00 C ATOM 322 CG ASP A 20 -7.720 7.614 -4.765 1.00 0.00 C ATOM 323 OD1 ASP A 20 -6.727 6.863 -4.616 1.00 0.00 O ATOM 324 OD2 ASP A 20 -8.082 8.104 -5.851 1.00 0.00 O ATOM 0 H ASP A 20 -6.069 7.135 -2.288 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.467 8.604 -1.552 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.524 7.361 -3.627 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.948 9.015 -3.696 1.00 0.00 H new ATOM 329 N VAL A 21 -9.098 6.474 -0.504 1.00 0.00 N ATOM 330 CA VAL A 21 -9.532 5.248 0.169 1.00 0.00 C ATOM 331 C VAL A 21 -10.298 4.335 -0.792 1.00 0.00 C ATOM 332 O VAL A 21 -10.088 3.121 -0.800 1.00 0.00 O ATOM 333 CB VAL A 21 -10.376 5.578 1.422 1.00 0.00 C ATOM 334 CG1 VAL A 21 -11.493 6.582 1.188 1.00 0.00 C ATOM 335 CG2 VAL A 21 -11.069 4.339 1.965 1.00 0.00 C ATOM 0 H VAL A 21 -9.434 7.331 -0.065 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.643 4.709 0.497 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.643 5.996 2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.031 6.752 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.069 7.523 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.181 6.192 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.654 4.606 2.845 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.729 3.927 1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.321 3.594 2.238 1.00 0.00 H new ATOM 345 N ALA A 22 -11.212 4.923 -1.579 1.00 0.00 N ATOM 346 CA ALA A 22 -12.088 4.199 -2.496 1.00 0.00 C ATOM 347 C ALA A 22 -11.247 3.371 -3.458 1.00 0.00 C ATOM 348 O ALA A 22 -11.463 2.166 -3.575 1.00 0.00 O ATOM 349 CB ALA A 22 -12.987 5.190 -3.257 1.00 0.00 C ATOM 0 H ALA A 22 -11.361 5.932 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.732 3.524 -1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.637 4.642 -3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.595 5.749 -2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.366 5.882 -3.826 1.00 0.00 H new ATOM 355 N THR A 23 -10.255 4.022 -4.072 1.00 0.00 N ATOM 356 CA THR A 23 -9.329 3.359 -4.989 1.00 0.00 C ATOM 357 C THR A 23 -8.608 2.254 -4.271 1.00 0.00 C ATOM 358 O THR A 23 -8.724 1.113 -4.699 1.00 0.00 O ATOM 359 CB THR A 23 -8.310 4.315 -5.572 1.00 0.00 C ATOM 360 OG1 THR A 23 -9.111 5.223 -6.289 1.00 0.00 O ATOM 361 CG2 THR A 23 -7.299 3.636 -6.511 1.00 0.00 C ATOM 0 H THR A 23 -10.073 5.018 -3.947 1.00 0.00 H new ATOM 0 HA THR A 23 -9.923 2.960 -5.812 1.00 0.00 H new ATOM 0 HB THR A 23 -7.692 4.767 -4.796 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.541 5.898 -6.713 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.599 4.380 -6.892 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.751 2.870 -5.963 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.829 3.176 -7.345 1.00 0.00 H new ATOM 369 N ALA A 24 -7.908 2.541 -3.173 1.00 0.00 N ATOM 370 CA ALA A 24 -7.157 1.524 -2.448 1.00 0.00 C ATOM 371 C ALA A 24 -7.976 0.249 -2.174 1.00 0.00 C ATOM 372 O ALA A 24 -7.537 -0.863 -2.476 1.00 0.00 O ATOM 373 CB ALA A 24 -6.701 2.146 -1.141 1.00 0.00 C ATOM 0 H ALA A 24 -7.848 3.475 -2.767 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.313 1.208 -3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.133 1.413 -0.568 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.071 3.010 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.571 2.462 -0.565 1.00 0.00 H new ATOM 379 N GLN A 25 -9.178 0.419 -1.617 1.00 0.00 N ATOM 380 CA GLN A 25 -10.093 -0.692 -1.367 1.00 0.00 C ATOM 381 C GLN A 25 -10.423 -1.462 -2.652 1.00 0.00 C ATOM 382 O GLN A 25 -10.372 -2.697 -2.659 1.00 0.00 O ATOM 383 CB GLN A 25 -11.383 -0.151 -0.741 1.00 0.00 C ATOM 384 CG GLN A 25 -12.260 -1.312 -0.250 1.00 0.00 C ATOM 385 CD GLN A 25 -13.573 -0.807 0.314 1.00 0.00 C ATOM 386 OE1 GLN A 25 -14.591 -0.799 -0.348 1.00 0.00 O ATOM 387 NE2 GLN A 25 -13.609 -0.409 1.563 1.00 0.00 N ATOM 0 H GLN A 25 -9.541 1.328 -1.329 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.604 -1.387 -0.685 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.143 0.510 0.091 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.930 0.444 -1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.455 -1.998 -1.075 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.726 -1.877 0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.757 -0.413 2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.489 -0.095 1.973 1.00 0.00 H new ATOM 396 N ALA A 26 -10.754 -0.738 -3.729 1.00 0.00 N ATOM 397 CA ALA A 26 -11.066 -1.314 -5.035 1.00 0.00 C ATOM 398 C ALA A 26 -9.949 -2.247 -5.495 1.00 0.00 C ATOM 399 O ALA A 26 -10.205 -3.387 -5.886 1.00 0.00 O ATOM 400 CB ALA A 26 -11.316 -0.202 -6.074 1.00 0.00 C ATOM 0 H ALA A 26 -10.812 0.280 -3.713 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.979 -1.902 -4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.547 -0.652 -7.040 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.154 0.415 -5.752 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.424 0.417 -6.166 1.00 0.00 H new ATOM 406 N GLN A 27 -8.706 -1.791 -5.360 1.00 0.00 N ATOM 407 CA GLN A 27 -7.541 -2.552 -5.759 1.00 0.00 C ATOM 408 C GLN A 27 -7.375 -3.815 -4.938 1.00 0.00 C ATOM 409 O GLN A 27 -7.229 -4.887 -5.515 1.00 0.00 O ATOM 410 CB GLN A 27 -6.299 -1.719 -5.578 1.00 0.00 C ATOM 411 CG GLN A 27 -6.311 -0.428 -6.396 1.00 0.00 C ATOM 412 CD GLN A 27 -6.185 -0.603 -7.902 1.00 0.00 C ATOM 413 OE1 GLN A 27 -7.062 -1.101 -8.581 1.00 0.00 O ATOM 414 NE2 GLN A 27 -5.082 -0.187 -8.476 1.00 0.00 N ATOM 0 H GLN A 27 -8.485 -0.876 -4.967 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.685 -2.825 -6.804 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.187 -1.471 -4.523 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.429 -2.311 -5.860 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.238 0.105 -6.187 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.494 0.206 -6.052 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.341 0.232 -7.914 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.965 -0.282 -9.485 1.00 0.00 H new ATOM 423 N ALA A 28 -7.459 -3.705 -3.609 1.00 0.00 N ATOM 424 CA ALA A 28 -7.399 -4.865 -2.722 1.00 0.00 C ATOM 425 C ALA A 28 -8.409 -5.948 -3.106 1.00 0.00 C ATOM 426 O ALA A 28 -8.057 -7.121 -3.244 1.00 0.00 O ATOM 427 CB ALA A 28 -7.683 -4.413 -1.294 1.00 0.00 C ATOM 0 H ALA A 28 -7.570 -2.815 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.401 -5.295 -2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.640 -5.272 -0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.937 -3.679 -0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.675 -3.964 -1.245 1.00 0.00 H new ATOM 433 N ARG A 29 -9.676 -5.554 -3.291 1.00 0.00 N ATOM 434 CA ARG A 29 -10.714 -6.480 -3.751 1.00 0.00 C ATOM 435 C ARG A 29 -10.373 -7.065 -5.117 1.00 0.00 C ATOM 436 O ARG A 29 -10.623 -8.246 -5.333 1.00 0.00 O ATOM 437 CB ARG A 29 -12.067 -5.752 -3.772 1.00 0.00 C ATOM 438 CG ARG A 29 -13.214 -6.667 -4.250 1.00 0.00 C ATOM 439 CD ARG A 29 -13.725 -7.564 -3.110 1.00 0.00 C ATOM 440 NE ARG A 29 -14.776 -6.869 -2.341 1.00 0.00 N ATOM 441 CZ ARG A 29 -16.035 -6.727 -2.719 1.00 0.00 C ATOM 442 NH1 ARG A 29 -16.476 -7.211 -3.846 1.00 0.00 N ATOM 443 NH2 ARG A 29 -16.877 -6.083 -1.976 1.00 0.00 N ATOM 0 H ARG A 29 -10.004 -4.602 -3.129 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.774 -7.320 -3.058 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.293 -5.381 -2.773 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.000 -4.884 -4.427 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -14.033 -6.058 -4.631 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -12.867 -7.287 -5.076 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -14.120 -8.494 -3.519 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -12.899 -7.831 -2.451 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.509 -6.465 -1.443 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.844 -7.717 -4.466 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -17.454 -7.084 -4.108 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.571 -5.680 -1.090 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -17.846 -5.979 -2.276 1.00 0.00 H new ATOM 457 N LYS A 30 -9.865 -6.242 -6.039 1.00 0.00 N ATOM 458 CA LYS A 30 -9.521 -6.653 -7.397 1.00 0.00 C ATOM 459 C LYS A 30 -8.410 -7.688 -7.411 1.00 0.00 C ATOM 460 O LYS A 30 -8.633 -8.752 -7.993 1.00 0.00 O ATOM 461 CB LYS A 30 -9.138 -5.421 -8.245 1.00 0.00 C ATOM 462 CG LYS A 30 -8.927 -5.797 -9.719 1.00 0.00 C ATOM 463 CD LYS A 30 -10.272 -6.115 -10.403 1.00 0.00 C ATOM 464 CE LYS A 30 -10.044 -6.834 -11.731 1.00 0.00 C ATOM 465 NZ LYS A 30 -9.638 -8.249 -11.500 1.00 0.00 N ATOM 0 H LYS A 30 -9.679 -5.256 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.401 -7.123 -7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.922 -4.668 -8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.227 -4.974 -7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.434 -4.977 -10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.266 -6.661 -9.787 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.882 -6.736 -9.747 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.826 -5.192 -10.574 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.956 -6.805 -12.328 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.273 -6.318 -12.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.701 -8.778 -12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.659 -8.277 -11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.270 -8.681 -10.796 1.00 0.00 H new ATOM 479 N ALA A 31 -7.234 -7.322 -6.891 1.00 0.00 N ATOM 480 CA ALA A 31 -6.052 -8.173 -6.805 1.00 0.00 C ATOM 481 C ALA A 31 -6.389 -9.468 -6.067 1.00 0.00 C ATOM 482 O ALA A 31 -6.052 -10.552 -6.552 1.00 0.00 O ATOM 483 CB ALA A 31 -4.904 -7.423 -6.101 1.00 0.00 C ATOM 0 H ALA A 31 -7.078 -6.391 -6.506 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.725 -8.428 -7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.028 -8.070 -6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.656 -6.525 -6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.215 -7.144 -5.094 1.00 0.00 H new ATOM 489 N GLY A 32 -7.096 -9.340 -4.935 1.00 0.00 N ATOM 490 CA GLY A 32 -7.474 -10.478 -4.113 1.00 0.00 C ATOM 491 C GLY A 32 -6.309 -10.958 -3.266 1.00 0.00 C ATOM 492 O GLY A 32 -5.267 -10.313 -3.170 1.00 0.00 O ATOM 0 H GLY A 32 -7.417 -8.443 -4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.307 -10.202 -3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.822 -11.291 -4.751 1.00 0.00 H new ATOM 496 N LEU A 33 -6.495 -12.103 -2.618 1.00 0.00 N ATOM 497 CA LEU A 33 -5.505 -12.709 -1.722 1.00 0.00 C ATOM 498 C LEU A 33 -4.766 -13.866 -2.405 1.00 0.00 C ATOM 499 O LEU A 33 -4.414 -14.865 -1.778 1.00 0.00 O ATOM 500 CB LEU A 33 -6.214 -13.198 -0.462 1.00 0.00 C ATOM 501 CG LEU A 33 -7.182 -12.203 0.212 1.00 0.00 C ATOM 502 CD1 LEU A 33 -8.275 -12.946 0.962 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.442 -11.305 1.167 1.00 0.00 C ATOM 0 H LEU A 33 -7.352 -12.649 -2.699 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.759 -11.959 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.772 -14.100 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.456 -13.484 0.267 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.635 -11.595 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.948 -12.228 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.837 -13.568 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.826 -13.576 1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.143 -10.611 1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.964 -11.909 1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.682 -10.744 0.624 1.00 0.00 H new ATOM 515 N THR A 34 -4.615 -13.779 -3.723 1.00 0.00 N ATOM 516 CA THR A 34 -4.010 -14.826 -4.538 1.00 0.00 C ATOM 517 C THR A 34 -2.934 -14.248 -5.423 1.00 0.00 C ATOM 518 O THR A 34 -3.202 -13.448 -6.325 1.00 0.00 O ATOM 519 CB THR A 34 -5.029 -15.582 -5.400 1.00 0.00 C ATOM 520 OG1 THR A 34 -5.920 -14.748 -6.104 1.00 0.00 O ATOM 521 CG2 THR A 34 -5.900 -16.494 -4.553 1.00 0.00 C ATOM 0 H THR A 34 -4.914 -12.967 -4.263 1.00 0.00 H new ATOM 0 HA THR A 34 -3.578 -15.544 -3.841 1.00 0.00 H new ATOM 0 HB THR A 34 -4.411 -16.135 -6.107 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.428 -13.990 -6.483 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.611 -17.015 -5.193 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.272 -17.222 -4.039 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.442 -15.899 -3.817 1.00 0.00 H new ATOM 529 N THR A 35 -1.711 -14.739 -5.247 1.00 0.00 N ATOM 530 CA THR A 35 -0.565 -14.348 -6.061 1.00 0.00 C ATOM 531 C THR A 35 0.296 -15.530 -6.471 1.00 0.00 C ATOM 532 O THR A 35 0.135 -16.627 -5.946 1.00 0.00 O ATOM 533 CB THR A 35 0.283 -13.351 -5.311 1.00 0.00 C ATOM 534 OG1 THR A 35 1.076 -12.818 -6.346 1.00 0.00 O ATOM 535 CG2 THR A 35 1.185 -13.985 -4.232 1.00 0.00 C ATOM 0 H THR A 35 -1.485 -15.426 -4.528 1.00 0.00 H new ATOM 0 HA THR A 35 -0.964 -13.901 -6.972 1.00 0.00 H new ATOM 0 HB THR A 35 -0.324 -12.633 -4.759 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.992 -12.690 -6.023 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.763 -13.205 -3.737 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.566 -14.500 -3.497 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.864 -14.699 -4.699 1.00 0.00 H new ATOM 543 N GLY A 36 1.236 -15.287 -7.380 1.00 0.00 N ATOM 544 CA GLY A 36 2.216 -16.281 -7.803 1.00 0.00 C ATOM 545 C GLY A 36 2.745 -16.048 -9.206 1.00 0.00 C ATOM 546 O GLY A 36 3.761 -16.625 -9.550 1.00 0.00 O ATOM 0 H GLY A 36 1.339 -14.386 -7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.051 -16.278 -7.103 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.763 -17.271 -7.754 1.00 0.00 H new ATOM 550 N LYS A 37 2.065 -15.190 -9.982 1.00 0.00 N ATOM 551 CA LYS A 37 2.452 -14.762 -11.330 1.00 0.00 C ATOM 552 C LYS A 37 3.840 -14.129 -11.344 1.00 0.00 C ATOM 553 O LYS A 37 4.780 -14.731 -11.831 1.00 0.00 O ATOM 554 CB LYS A 37 1.400 -13.827 -11.952 1.00 0.00 C ATOM 555 CG LYS A 37 0.627 -12.927 -10.952 1.00 0.00 C ATOM 556 CD LYS A 37 -0.715 -13.571 -10.549 1.00 0.00 C ATOM 557 CE LYS A 37 -1.723 -12.463 -10.233 1.00 0.00 C ATOM 558 NZ LYS A 37 -2.747 -12.930 -9.265 1.00 0.00 N ATOM 0 H LYS A 37 1.194 -14.759 -9.672 1.00 0.00 H new ATOM 0 HA LYS A 37 2.498 -15.657 -11.950 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.896 -13.186 -12.681 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.679 -14.434 -12.499 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.235 -12.760 -10.063 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.445 -11.951 -11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.088 -14.201 -11.357 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.578 -14.215 -9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.201 -11.598 -9.825 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.209 -12.137 -11.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.570 -12.295 -9.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.044 -13.895 -9.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.345 -12.927 -8.306 1.00 0.00 H new ATOM 572 N SER A 38 3.957 -12.969 -10.693 1.00 0.00 N ATOM 573 CA SER A 38 5.223 -12.221 -10.579 1.00 0.00 C ATOM 574 C SER A 38 5.552 -11.822 -9.154 1.00 0.00 C ATOM 575 O SER A 38 6.712 -11.660 -8.775 1.00 0.00 O ATOM 576 CB SER A 38 5.160 -10.967 -11.435 1.00 0.00 C ATOM 577 OG SER A 38 4.213 -10.073 -10.874 1.00 0.00 O ATOM 0 H SER A 38 3.173 -12.514 -10.225 1.00 0.00 H new ATOM 0 HA SER A 38 6.010 -12.891 -10.924 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.141 -10.495 -11.484 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.878 -11.222 -12.457 1.00 0.00 H new ATOM 0 HG SER A 38 3.318 -10.291 -11.210 1.00 0.00 H new ATOM 583 N GLY A 39 4.518 -11.640 -8.344 1.00 0.00 N ATOM 584 CA GLY A 39 4.700 -11.257 -6.970 1.00 0.00 C ATOM 585 C GLY A 39 3.532 -10.502 -6.449 1.00 0.00 C ATOM 586 O GLY A 39 3.382 -10.618 -5.249 1.00 0.00 O ATOM 0 H GLY A 39 3.544 -11.755 -8.626 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.858 -12.148 -6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.598 -10.646 -6.879 1.00 0.00 H new ATOM 590 N ASP A 40 2.790 -9.746 -7.277 1.00 0.00 N ATOM 591 CA ASP A 40 1.559 -9.055 -6.892 1.00 0.00 C ATOM 592 C ASP A 40 0.280 -9.935 -7.085 1.00 0.00 C ATOM 593 O ASP A 40 0.068 -10.548 -8.154 1.00 0.00 O ATOM 594 CB ASP A 40 1.477 -7.684 -7.575 1.00 0.00 C ATOM 595 CG ASP A 40 0.064 -7.190 -7.897 1.00 0.00 C ATOM 596 OD1 ASP A 40 -0.905 -7.407 -7.143 1.00 0.00 O ATOM 597 OD2 ASP A 40 -0.010 -6.554 -8.945 1.00 0.00 O ATOM 0 H ASP A 40 3.041 -9.599 -8.255 1.00 0.00 H new ATOM 0 HA ASP A 40 1.597 -8.873 -5.818 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.962 -6.949 -6.933 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.049 -7.725 -8.502 1.00 0.00 H new ATOM 602 N PRO A 41 -0.605 -9.930 -6.060 1.00 0.00 N ATOM 603 CA PRO A 41 -0.495 -9.177 -4.793 1.00 0.00 C ATOM 604 C PRO A 41 0.572 -9.759 -3.895 1.00 0.00 C ATOM 605 O PRO A 41 1.016 -10.862 -4.139 1.00 0.00 O ATOM 606 CB PRO A 41 -1.863 -9.224 -4.139 1.00 0.00 C ATOM 607 CG PRO A 41 -2.485 -10.481 -4.744 1.00 0.00 C ATOM 608 CD PRO A 41 -1.911 -10.522 -6.153 1.00 0.00 C ATOM 0 HA PRO A 41 -0.194 -8.146 -4.980 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.790 -9.291 -3.054 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.450 -8.334 -4.365 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.219 -11.373 -4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.573 -10.424 -4.756 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.851 -11.546 -6.521 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.542 -9.969 -6.849 1.00 0.00 H new ATOM 616 N HIS A 42 1.054 -9.053 -2.884 1.00 0.00 N ATOM 617 CA HIS A 42 2.137 -9.610 -2.042 1.00 0.00 C ATOM 618 C HIS A 42 1.586 -9.869 -0.649 1.00 0.00 C ATOM 619 O HIS A 42 0.776 -9.097 -0.156 1.00 0.00 O ATOM 620 CB HIS A 42 3.361 -8.688 -2.021 1.00 0.00 C ATOM 621 CG HIS A 42 3.571 -7.814 -3.236 1.00 0.00 C ATOM 622 ND1 HIS A 42 2.971 -6.586 -3.454 1.00 0.00 N ATOM 623 CD2 HIS A 42 4.348 -8.133 -4.311 1.00 0.00 C ATOM 624 CE1 HIS A 42 3.364 -6.193 -4.693 1.00 0.00 C ATOM 625 NE2 HIS A 42 4.175 -7.131 -5.247 1.00 0.00 N ATOM 0 H HIS A 42 0.735 -8.121 -2.620 1.00 0.00 H new ATOM 0 HA HIS A 42 2.482 -10.554 -2.464 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.286 -8.043 -1.146 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.250 -9.305 -1.887 1.00 0.00 H new ATOM 0 HD2 HIS A 42 4.979 -9.004 -4.412 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.074 -5.268 -5.169 1.00 0.00 H new ATOM 0 HE2 HIS A 42 4.582 -7.101 -6.182 1.00 0.00 H new ATOM 634 N ARG A 43 1.970 -10.969 -0.014 1.00 0.00 N ATOM 635 CA ARG A 43 1.529 -11.264 1.356 1.00 0.00 C ATOM 636 C ARG A 43 2.098 -10.233 2.323 1.00 0.00 C ATOM 637 O ARG A 43 3.283 -9.930 2.236 1.00 0.00 O ATOM 638 CB ARG A 43 2.028 -12.657 1.739 1.00 0.00 C ATOM 639 CG ARG A 43 1.081 -13.750 1.205 1.00 0.00 C ATOM 640 CD ARG A 43 -0.072 -14.065 2.179 1.00 0.00 C ATOM 641 NE ARG A 43 0.441 -14.461 3.509 1.00 0.00 N ATOM 642 CZ ARG A 43 0.962 -15.627 3.847 1.00 0.00 C ATOM 643 NH1 ARG A 43 1.023 -16.603 2.986 1.00 0.00 N ATOM 644 NH2 ARG A 43 1.430 -15.836 5.044 1.00 0.00 N ATOM 0 H ARG A 43 2.585 -11.675 -0.419 1.00 0.00 H new ATOM 0 HA ARG A 43 0.441 -11.227 1.407 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.030 -12.811 1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.103 -12.735 2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.667 -13.431 0.249 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.652 -14.660 1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.715 -13.190 2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.687 -14.867 1.771 1.00 0.00 H new ATOM 0 HE ARG A 43 0.386 -13.757 4.245 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.666 -16.471 2.040 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.427 -17.499 3.258 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.398 -15.092 5.741 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.828 -16.744 5.285 1.00 0.00 H new ATOM 658 N TYR A 44 1.277 -9.789 3.266 1.00 0.00 N ATOM 659 CA TYR A 44 1.656 -8.861 4.327 1.00 0.00 C ATOM 660 C TYR A 44 1.583 -9.590 5.665 1.00 0.00 C ATOM 661 O TYR A 44 0.569 -10.205 6.013 1.00 0.00 O ATOM 662 CB TYR A 44 0.770 -7.623 4.263 1.00 0.00 C ATOM 663 CG TYR A 44 1.019 -6.546 5.284 1.00 0.00 C ATOM 664 CD1 TYR A 44 0.737 -6.770 6.651 1.00 0.00 C ATOM 665 CD2 TYR A 44 1.519 -5.305 4.855 1.00 0.00 C ATOM 666 CE1 TYR A 44 0.991 -5.772 7.598 1.00 0.00 C ATOM 667 CE2 TYR A 44 1.801 -4.308 5.805 1.00 0.00 C ATOM 668 CZ TYR A 44 1.511 -4.536 7.165 1.00 0.00 C ATOM 669 OH TYR A 44 1.608 -3.506 8.029 1.00 0.00 O ATOM 0 H TYR A 44 0.299 -10.073 3.316 1.00 0.00 H new ATOM 0 HA TYR A 44 2.682 -8.514 4.202 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.878 -7.181 3.272 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.267 -7.945 4.357 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.323 -7.717 6.966 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.685 -5.119 3.804 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.792 -5.946 8.645 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.238 -3.371 5.494 1.00 0.00 H new ATOM 0 HH TYR A 44 1.508 -3.837 8.946 1.00 0.00 H new ATOM 679 N PHE A 45 2.674 -9.552 6.412 1.00 0.00 N ATOM 680 CA PHE A 45 2.710 -10.110 7.767 1.00 0.00 C ATOM 681 C PHE A 45 2.280 -9.110 8.828 1.00 0.00 C ATOM 682 O PHE A 45 2.672 -7.975 8.769 1.00 0.00 O ATOM 683 CB PHE A 45 4.140 -10.556 8.052 1.00 0.00 C ATOM 684 CG PHE A 45 4.476 -11.815 7.285 1.00 0.00 C ATOM 685 CD1 PHE A 45 4.796 -11.740 5.911 1.00 0.00 C ATOM 686 CD2 PHE A 45 4.421 -13.060 7.947 1.00 0.00 C ATOM 687 CE1 PHE A 45 5.089 -12.919 5.198 1.00 0.00 C ATOM 688 CE2 PHE A 45 4.728 -14.237 7.237 1.00 0.00 C ATOM 689 CZ PHE A 45 5.064 -14.165 5.865 1.00 0.00 C ATOM 0 H PHE A 45 3.555 -9.139 6.106 1.00 0.00 H new ATOM 0 HA PHE A 45 2.007 -10.942 7.811 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.834 -9.762 7.777 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.264 -10.732 9.120 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.816 -10.784 5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.146 -13.110 8.990 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.332 -12.871 4.147 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.707 -15.193 7.739 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.303 -15.068 5.323 1.00 0.00 H new ATOM 699 N ALA A 46 1.587 -9.493 9.889 1.00 0.00 N ATOM 700 CA ALA A 46 1.248 -8.569 10.994 1.00 0.00 C ATOM 701 C ALA A 46 2.426 -8.272 11.961 1.00 0.00 C ATOM 702 O ALA A 46 2.240 -8.083 13.159 1.00 0.00 O ATOM 703 CB ALA A 46 0.043 -9.178 11.701 1.00 0.00 C ATOM 0 H ALA A 46 1.240 -10.443 10.021 1.00 0.00 H new ATOM 0 HA ALA A 46 1.015 -7.583 10.592 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.255 -8.537 12.531 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.784 -9.268 10.997 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.305 -10.165 12.082 1.00 0.00 H new ATOM 709 N GLY A 47 3.661 -8.266 11.458 1.00 0.00 N ATOM 710 CA GLY A 47 4.866 -7.996 12.256 1.00 0.00 C ATOM 711 C GLY A 47 5.480 -6.628 11.989 1.00 0.00 C ATOM 712 O GLY A 47 6.627 -6.375 12.370 1.00 0.00 O ATOM 0 H GLY A 47 3.859 -8.450 10.474 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.616 -8.072 13.314 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.609 -8.766 12.048 1.00 0.00 H new ATOM 716 N ASP A 48 4.752 -5.748 11.309 1.00 0.00 N ATOM 717 CA ASP A 48 5.250 -4.428 10.979 1.00 0.00 C ATOM 718 C ASP A 48 4.879 -3.500 12.117 1.00 0.00 C ATOM 719 O ASP A 48 3.734 -3.465 12.551 1.00 0.00 O ATOM 720 CB ASP A 48 4.679 -3.930 9.660 1.00 0.00 C ATOM 721 CG ASP A 48 4.912 -4.954 8.566 1.00 0.00 C ATOM 722 OD1 ASP A 48 6.046 -4.997 8.034 1.00 0.00 O ATOM 723 OD2 ASP A 48 3.954 -5.699 8.331 1.00 0.00 O ATOM 0 H ASP A 48 3.806 -5.933 10.975 1.00 0.00 H new ATOM 0 HA ASP A 48 6.332 -4.461 10.853 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.611 -3.739 9.767 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.147 -2.984 9.388 1.00 0.00 H new ATOM 728 N HIS A 49 5.834 -2.662 12.539 1.00 0.00 N ATOM 729 CA HIS A 49 5.623 -1.638 13.587 1.00 0.00 C ATOM 730 C HIS A 49 4.435 -0.694 13.360 1.00 0.00 C ATOM 731 O HIS A 49 4.084 0.033 14.292 1.00 0.00 O ATOM 732 CB HIS A 49 6.845 -0.717 13.692 1.00 0.00 C ATOM 733 CG HIS A 49 8.152 -1.401 13.985 1.00 0.00 C ATOM 734 ND1 HIS A 49 9.300 -1.252 13.227 1.00 0.00 N ATOM 735 CD2 HIS A 49 8.398 -2.259 15.027 1.00 0.00 C ATOM 736 CE1 HIS A 49 10.247 -2.025 13.806 1.00 0.00 C ATOM 737 NE2 HIS A 49 9.726 -2.643 14.900 1.00 0.00 N ATOM 0 H HIS A 49 6.783 -2.670 12.165 1.00 0.00 H new ATOM 0 HA HIS A 49 5.436 -2.233 14.481 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.945 -0.168 12.756 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.657 0.018 14.474 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.701 -2.572 15.790 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.262 -2.135 13.453 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.226 -3.280 15.521 1.00 0.00 H new ATOM 746 N ILE A 50 3.939 -0.630 12.114 1.00 0.00 N ATOM 747 CA ILE A 50 2.682 -0.011 11.684 1.00 0.00 C ATOM 748 C ILE A 50 1.539 -0.273 12.679 1.00 0.00 C ATOM 749 O ILE A 50 1.491 -1.253 13.405 1.00 0.00 O ATOM 750 CB ILE A 50 2.237 -0.480 10.259 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.405 -0.546 9.266 1.00 0.00 C ATOM 752 CG2 ILE A 50 1.162 0.514 9.752 1.00 0.00 C ATOM 753 CD1 ILE A 50 2.996 -0.723 7.793 1.00 0.00 C ATOM 0 H ILE A 50 4.444 -1.039 11.328 1.00 0.00 H new ATOM 0 HA ILE A 50 2.886 1.059 11.648 1.00 0.00 H new ATOM 0 HB ILE A 50 1.840 -1.493 10.331 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.992 0.368 9.357 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.056 -1.373 9.549 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.830 0.215 8.758 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.312 0.511 10.435 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.587 1.517 9.706 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.889 -0.759 7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.437 -1.652 7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.372 0.116 7.485 1.00 0.00 H new ATOM 765 N ARG A 51 0.526 0.586 12.661 1.00 0.00 N ATOM 766 CA ARG A 51 -0.632 0.467 13.488 1.00 0.00 C ATOM 767 C ARG A 51 -1.786 0.959 12.659 1.00 0.00 C ATOM 768 O ARG A 51 -1.974 2.148 12.417 1.00 0.00 O ATOM 769 CB ARG A 51 -0.341 1.246 14.758 1.00 0.00 C ATOM 770 CG ARG A 51 -1.526 2.070 15.244 1.00 0.00 C ATOM 771 CD ARG A 51 -1.596 2.067 16.745 1.00 0.00 C ATOM 772 NE ARG A 51 -2.249 3.294 17.245 1.00 0.00 N ATOM 773 CZ ARG A 51 -2.087 3.770 18.465 1.00 0.00 C ATOM 774 NH1 ARG A 51 -1.332 3.159 19.330 1.00 0.00 N ATOM 775 NH2 ARG A 51 -2.678 4.867 18.830 1.00 0.00 N ATOM 0 H ARG A 51 0.503 1.401 12.048 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.889 -0.542 13.809 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.045 0.550 15.543 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.506 1.909 14.583 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.436 3.094 14.881 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.450 1.665 14.831 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.149 1.192 17.085 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.591 1.990 17.160 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.862 3.804 16.609 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.853 2.297 19.070 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.219 3.542 20.269 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.274 5.369 18.171 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.547 5.227 19.775 1.00 0.00 H new ATOM 789 N TRP A 52 -2.654 0.040 12.365 1.00 0.00 N ATOM 790 CA TRP A 52 -3.951 0.332 11.725 1.00 0.00 C ATOM 791 C TRP A 52 -5.081 0.536 12.721 1.00 0.00 C ATOM 792 O TRP A 52 -6.210 0.743 12.308 1.00 0.00 O ATOM 793 CB TRP A 52 -4.284 -0.728 10.687 1.00 0.00 C ATOM 794 CG TRP A 52 -3.103 -1.102 9.861 1.00 0.00 C ATOM 795 CD1 TRP A 52 -2.133 -1.989 10.177 1.00 0.00 C ATOM 796 CD2 TRP A 52 -2.743 -0.571 8.569 1.00 0.00 C ATOM 797 NE1 TRP A 52 -1.213 -2.033 9.150 1.00 0.00 N ATOM 798 CE2 TRP A 52 -1.544 -1.194 8.121 1.00 0.00 C ATOM 799 CE3 TRP A 52 -3.321 0.396 7.744 1.00 0.00 C ATOM 800 CZ2 TRP A 52 -0.942 -0.910 6.889 1.00 0.00 C ATOM 801 CZ3 TRP A 52 -2.719 0.709 6.537 1.00 0.00 C ATOM 802 CH2 TRP A 52 -1.585 0.033 6.072 1.00 0.00 C ATOM 0 H TRP A 52 -2.504 -0.951 12.554 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.846 1.289 11.214 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.669 -1.616 11.188 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -5.077 -0.360 10.037 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.086 -2.569 11.087 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.381 -2.623 9.157 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.230 0.896 8.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.026 -1.394 6.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.138 1.501 5.934 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.204 0.237 5.082 1.00 0.00 H new ATOM 813 N GLY A 53 -4.781 0.519 14.026 1.00 0.00 N ATOM 814 CA GLY A 53 -5.786 0.571 15.092 1.00 0.00 C ATOM 815 C GLY A 53 -6.781 -0.587 15.047 1.00 0.00 C ATOM 816 O GLY A 53 -7.878 -0.471 15.579 1.00 0.00 O ATOM 0 H GLY A 53 -3.823 0.468 14.374 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.281 0.568 16.058 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.332 1.512 15.021 1.00 0.00 H new ATOM 820 N VAL A 54 -6.425 -1.693 14.401 1.00 0.00 N ATOM 821 CA VAL A 54 -7.330 -2.823 14.197 1.00 0.00 C ATOM 822 C VAL A 54 -6.660 -3.987 14.860 1.00 0.00 C ATOM 823 O VAL A 54 -5.621 -4.408 14.369 1.00 0.00 O ATOM 824 CB VAL A 54 -7.576 -3.115 12.708 1.00 0.00 C ATOM 825 CG1 VAL A 54 -8.483 -4.354 12.529 1.00 0.00 C ATOM 826 CG2 VAL A 54 -8.208 -1.931 11.964 1.00 0.00 C ATOM 0 H VAL A 54 -5.497 -1.833 14.002 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.314 -2.612 14.616 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.593 -3.303 12.276 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.641 -4.539 11.466 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.005 -5.223 12.981 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.443 -4.175 13.013 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.358 -2.197 10.918 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.169 -1.687 12.417 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.547 -1.067 12.028 1.00 0.00 H new ATOM 836 N ASN A 55 -7.274 -4.522 15.917 1.00 0.00 N ATOM 837 CA ASN A 55 -6.796 -5.707 16.639 1.00 0.00 C ATOM 838 C ASN A 55 -6.388 -6.842 15.703 1.00 0.00 C ATOM 839 O ASN A 55 -5.382 -7.486 15.947 1.00 0.00 O ATOM 840 CB ASN A 55 -7.906 -6.235 17.558 1.00 0.00 C ATOM 841 CG ASN A 55 -8.191 -5.293 18.703 1.00 0.00 C ATOM 842 OD1 ASN A 55 -7.645 -5.397 19.781 1.00 0.00 O ATOM 843 ND2 ASN A 55 -9.068 -4.344 18.494 1.00 0.00 N ATOM 0 H ASN A 55 -8.135 -4.137 16.305 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.920 -5.393 17.206 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.816 -6.385 16.977 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.616 -7.209 17.953 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.296 -3.687 19.240 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.524 -4.262 17.585 1.00 0.00 H new ATOM 850 N ASN A 56 -7.159 -7.063 14.631 1.00 0.00 N ATOM 851 CA ASN A 56 -6.828 -8.014 13.570 1.00 0.00 C ATOM 852 C ASN A 56 -5.531 -7.680 12.823 1.00 0.00 C ATOM 853 O ASN A 56 -4.711 -8.562 12.613 1.00 0.00 O ATOM 854 CB ASN A 56 -7.976 -8.074 12.547 1.00 0.00 C ATOM 855 CG ASN A 56 -9.051 -9.072 12.906 1.00 0.00 C ATOM 856 OD1 ASN A 56 -9.209 -9.519 14.029 1.00 0.00 O ATOM 857 ND2 ASN A 56 -9.838 -9.453 11.936 1.00 0.00 N ATOM 0 H ASN A 56 -8.043 -6.577 14.477 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.681 -8.974 14.064 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.425 -7.085 12.458 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.568 -8.328 11.569 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.584 -10.124 12.118 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.707 -9.079 10.996 1.00 0.00 H new ATOM 864 N CYS A 57 -5.395 -6.452 12.321 1.00 0.00 N ATOM 865 CA CYS A 57 -4.159 -6.013 11.677 1.00 0.00 C ATOM 866 C CYS A 57 -2.948 -6.051 12.614 1.00 0.00 C ATOM 867 O CYS A 57 -1.896 -6.497 12.180 1.00 0.00 O ATOM 868 CB CYS A 57 -4.338 -4.608 11.129 1.00 0.00 C ATOM 869 SG CYS A 57 -5.700 -4.438 9.942 1.00 0.00 S ATOM 0 H CYS A 57 -6.128 -5.743 12.349 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.957 -6.715 10.868 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.509 -3.925 11.961 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.411 -4.297 10.647 1.00 0.00 H new ATOM 874 N ASP A 58 -3.105 -5.648 13.880 1.00 0.00 N ATOM 875 CA ASP A 58 -2.066 -5.704 14.930 1.00 0.00 C ATOM 876 C ASP A 58 -1.972 -7.093 15.611 1.00 0.00 C ATOM 877 O ASP A 58 -1.712 -7.247 16.808 1.00 0.00 O ATOM 878 CB ASP A 58 -2.346 -4.600 15.968 1.00 0.00 C ATOM 879 CG ASP A 58 -1.042 -4.076 16.581 1.00 0.00 C ATOM 880 OD1 ASP A 58 -0.174 -3.685 15.772 1.00 0.00 O ATOM 881 OD2 ASP A 58 -1.012 -3.871 17.814 1.00 0.00 O ATOM 0 H ASP A 58 -3.985 -5.260 14.219 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.098 -5.537 14.457 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.885 -3.779 15.494 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.990 -4.992 16.755 1.00 0.00 H new ATOM 886 N LYS A 59 -2.339 -8.146 14.879 1.00 0.00 N ATOM 887 CA LYS A 59 -2.222 -9.520 15.381 1.00 0.00 C ATOM 888 C LYS A 59 -0.762 -9.968 15.468 1.00 0.00 C ATOM 889 O LYS A 59 0.167 -9.252 15.144 1.00 0.00 O ATOM 890 CB LYS A 59 -3.046 -10.447 14.485 1.00 0.00 C ATOM 891 CG LYS A 59 -4.509 -10.592 14.921 1.00 0.00 C ATOM 892 CD LYS A 59 -4.706 -11.747 15.902 1.00 0.00 C ATOM 893 CE LYS A 59 -4.224 -11.341 17.302 1.00 0.00 C ATOM 894 NZ LYS A 59 -4.613 -12.360 18.303 1.00 0.00 N ATOM 0 H LYS A 59 -2.720 -8.076 13.936 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.614 -9.564 16.397 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.017 -10.069 13.463 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.581 -11.433 14.473 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.842 -9.663 15.384 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.134 -10.753 14.043 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.759 -12.027 15.939 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.155 -12.623 15.559 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.141 -11.221 17.299 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.651 -10.375 17.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.279 -12.068 19.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.649 -12.455 18.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.186 -13.274 18.052 1.00 0.00 H new ATOM 908 N ALA A 60 -0.578 -11.215 15.887 1.00 0.00 N ATOM 909 CA ALA A 60 0.741 -11.839 15.952 1.00 0.00 C ATOM 910 C ALA A 60 1.014 -12.784 14.768 1.00 0.00 C ATOM 911 O ALA A 60 2.068 -12.711 14.155 1.00 0.00 O ATOM 912 CB ALA A 60 0.831 -12.574 17.288 1.00 0.00 C ATOM 0 H ALA A 60 -1.338 -11.823 16.192 1.00 0.00 H new ATOM 0 HA ALA A 60 1.510 -11.069 15.882 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.805 -13.055 17.374 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.704 -11.863 18.104 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.048 -13.330 17.341 1.00 0.00 H new ATOM 918 N ASP A 61 0.053 -13.658 14.439 1.00 0.00 N ATOM 919 CA ASP A 61 0.128 -14.655 13.343 1.00 0.00 C ATOM 920 C ASP A 61 -1.022 -14.422 12.331 1.00 0.00 C ATOM 921 O ASP A 61 -1.669 -15.319 11.791 1.00 0.00 O ATOM 922 CB ASP A 61 0.140 -16.079 13.931 1.00 0.00 C ATOM 923 CG ASP A 61 0.343 -17.172 12.858 1.00 0.00 C ATOM 924 OD1 ASP A 61 0.969 -16.870 11.811 1.00 0.00 O ATOM 925 OD2 ASP A 61 -0.115 -18.305 13.127 1.00 0.00 O ATOM 0 H ASP A 61 -0.833 -13.698 14.942 1.00 0.00 H new ATOM 0 HA ASP A 61 1.059 -14.534 12.789 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.935 -16.153 14.673 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.800 -16.259 14.452 1.00 0.00 H new ATOM 930 N ALA A 62 -1.439 -13.167 12.182 1.00 0.00 N ATOM 931 CA ALA A 62 -2.430 -12.880 11.151 1.00 0.00 C ATOM 932 C ALA A 62 -1.866 -13.008 9.728 1.00 0.00 C ATOM 933 O ALA A 62 -0.660 -13.061 9.486 1.00 0.00 O ATOM 934 CB ALA A 62 -2.991 -11.491 11.387 1.00 0.00 C ATOM 0 H ALA A 62 -1.125 -12.368 12.733 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.222 -13.625 11.226 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.734 -11.264 10.622 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.459 -11.450 12.371 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.184 -10.760 11.338 1.00 0.00 H new ATOM 940 N ILE A 63 -2.779 -12.953 8.761 1.00 0.00 N ATOM 941 CA ILE A 63 -2.448 -13.072 7.343 1.00 0.00 C ATOM 942 C ILE A 63 -3.054 -11.885 6.632 1.00 0.00 C ATOM 943 O ILE A 63 -4.265 -11.856 6.415 1.00 0.00 O ATOM 944 CB ILE A 63 -2.947 -14.408 6.769 1.00 0.00 C ATOM 945 CG1 ILE A 63 -2.338 -15.600 7.535 1.00 0.00 C ATOM 946 CG2 ILE A 63 -2.551 -14.486 5.279 1.00 0.00 C ATOM 947 CD1 ILE A 63 -3.034 -16.922 7.185 1.00 0.00 C ATOM 0 H ILE A 63 -3.775 -12.824 8.940 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.367 -13.070 7.199 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.031 -14.459 6.875 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.276 -15.676 7.302 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.417 -15.421 8.607 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.899 -15.430 4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.007 -13.657 4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.467 -14.426 5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.574 -17.735 7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.091 -16.856 7.442 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.932 -17.115 6.117 1.00 0.00 H new ATOM 959 N LEU A 64 -2.229 -10.899 6.307 1.00 0.00 N ATOM 960 CA LEU A 64 -2.624 -9.758 5.498 1.00 0.00 C ATOM 961 C LEU A 64 -2.022 -9.845 4.086 1.00 0.00 C ATOM 962 O LEU A 64 -1.373 -10.832 3.724 1.00 0.00 O ATOM 963 CB LEU A 64 -2.264 -8.468 6.266 1.00 0.00 C ATOM 964 CG LEU A 64 -3.314 -7.933 7.254 1.00 0.00 C ATOM 965 CD1 LEU A 64 -3.390 -8.761 8.526 1.00 0.00 C ATOM 966 CD2 LEU A 64 -3.033 -6.465 7.561 1.00 0.00 C ATOM 0 H LEU A 64 -1.253 -10.870 6.603 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.702 -9.751 5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.340 -8.647 6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.054 -7.686 5.537 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.292 -8.016 6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.146 -8.341 9.189 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.657 -9.788 8.276 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.422 -8.749 9.026 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.780 -6.090 8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.041 -6.369 8.002 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.078 -5.885 6.639 1.00 0.00 H new ATOM 978 N TRP A 65 -2.238 -8.797 3.295 1.00 0.00 N ATOM 979 CA TRP A 65 -1.667 -8.580 1.971 1.00 0.00 C ATOM 980 C TRP A 65 -1.281 -7.138 1.693 1.00 0.00 C ATOM 981 O TRP A 65 -1.564 -6.268 2.494 1.00 0.00 O ATOM 982 CB TRP A 65 -2.700 -9.033 0.982 1.00 0.00 C ATOM 983 CG TRP A 65 -2.782 -10.506 0.890 1.00 0.00 C ATOM 984 CD1 TRP A 65 -3.441 -11.325 1.725 1.00 0.00 C ATOM 985 CD2 TRP A 65 -2.132 -11.364 -0.066 1.00 0.00 C ATOM 986 NE1 TRP A 65 -3.265 -12.630 1.313 1.00 0.00 N ATOM 987 CE2 TRP A 65 -2.462 -12.712 0.209 1.00 0.00 C ATOM 988 CE3 TRP A 65 -1.277 -11.134 -1.137 1.00 0.00 C ATOM 989 CZ2 TRP A 65 -2.000 -13.784 -0.566 1.00 0.00 C ATOM 990 CZ3 TRP A 65 -0.776 -12.204 -1.884 1.00 0.00 C ATOM 991 CH2 TRP A 65 -1.143 -13.529 -1.640 1.00 0.00 C ATOM 0 H TRP A 65 -2.852 -8.033 3.579 1.00 0.00 H new ATOM 0 HA TRP A 65 -0.736 -9.142 1.897 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -3.673 -8.635 1.269 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.464 -8.623 0.000 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.017 -11.012 2.583 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.684 -13.437 1.776 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.998 -10.123 -1.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.302 -14.795 -0.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.077 -11.998 -2.681 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.776 -14.332 -2.262 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.615 -6.883 0.575 1.00 0.00 N ATOM 1003 CA GLU A 66 -0.132 -5.579 0.160 1.00 0.00 C ATOM 1004 C GLU A 66 -0.169 -5.461 -1.373 1.00 0.00 C ATOM 1005 O GLU A 66 0.285 -6.343 -2.124 1.00 0.00 O ATOM 1006 CB GLU A 66 1.245 -5.254 0.764 1.00 0.00 C ATOM 1007 CG GLU A 66 2.364 -6.132 0.220 1.00 0.00 C ATOM 1008 CD GLU A 66 3.760 -5.620 0.547 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.269 -5.930 1.639 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.324 -4.923 -0.343 1.00 0.00 O ATOM 0 H GLU A 66 -0.388 -7.616 -0.097 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.803 -4.817 0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.483 -4.209 0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.196 -5.370 1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.252 -7.138 0.623 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.259 -6.209 -0.862 1.00 0.00 H new ATOM 1017 N TYR A 67 -0.657 -4.326 -1.853 1.00 0.00 N ATOM 1018 CA TYR A 67 -0.703 -4.104 -3.296 1.00 0.00 C ATOM 1019 C TYR A 67 -0.447 -2.646 -3.624 1.00 0.00 C ATOM 1020 O TYR A 67 -1.058 -1.836 -2.953 1.00 0.00 O ATOM 1021 CB TYR A 67 -2.056 -4.547 -3.847 1.00 0.00 C ATOM 1022 CG TYR A 67 -2.337 -4.061 -5.251 1.00 0.00 C ATOM 1023 CD1 TYR A 67 -1.748 -4.698 -6.339 1.00 0.00 C ATOM 1024 CD2 TYR A 67 -3.094 -2.914 -5.479 1.00 0.00 C ATOM 1025 CE1 TYR A 67 -1.947 -4.270 -7.673 1.00 0.00 C ATOM 1026 CE2 TYR A 67 -3.282 -2.475 -6.801 1.00 0.00 C ATOM 1027 CZ TYR A 67 -2.753 -3.147 -7.909 1.00 0.00 C ATOM 1028 OH TYR A 67 -3.017 -2.681 -9.162 1.00 0.00 O ATOM 0 H TYR A 67 -1.019 -3.561 -1.284 1.00 0.00 H new ATOM 0 HA TYR A 67 0.081 -4.698 -3.765 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.103 -5.636 -3.834 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.843 -4.186 -3.184 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.114 -5.553 -6.158 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.529 -2.371 -4.653 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.486 -4.799 -8.494 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.861 -1.579 -6.969 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.005 -3.427 -9.798 1.00 0.00 H new ATOM 1038 N PRO A 68 0.446 -2.288 -4.562 1.00 0.00 N ATOM 1039 CA PRO A 68 0.785 -0.915 -4.971 1.00 0.00 C ATOM 1040 C PRO A 68 -0.326 -0.185 -5.701 1.00 0.00 C ATOM 1041 O PRO A 68 -1.137 -0.801 -6.367 1.00 0.00 O ATOM 1042 CB PRO A 68 1.962 -1.070 -5.934 1.00 0.00 C ATOM 1043 CG PRO A 68 1.776 -2.481 -6.481 1.00 0.00 C ATOM 1044 CD PRO A 68 1.172 -3.250 -5.346 1.00 0.00 C ATOM 0 HA PRO A 68 0.991 -0.324 -4.079 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.935 -0.323 -6.727 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.918 -0.958 -5.423 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.123 -2.485 -7.354 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.727 -2.914 -6.792 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.510 -4.034 -5.714 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.943 -3.738 -4.750 1.00 0.00 H new ATOM 1052 N ILE A 69 -0.324 1.145 -5.689 1.00 0.00 N ATOM 1053 CA ILE A 69 -1.380 1.924 -6.357 1.00 0.00 C ATOM 1054 C ILE A 69 -0.770 3.133 -7.049 1.00 0.00 C ATOM 1055 O ILE A 69 0.289 3.633 -6.671 1.00 0.00 O ATOM 1056 CB ILE A 69 -2.462 2.338 -5.314 1.00 0.00 C ATOM 1057 CG1 ILE A 69 -3.432 1.181 -5.032 1.00 0.00 C ATOM 1058 CG2 ILE A 69 -3.350 3.517 -5.763 1.00 0.00 C ATOM 1059 CD1 ILE A 69 -3.089 0.355 -3.808 1.00 0.00 C ATOM 0 H ILE A 69 0.390 1.710 -5.229 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.865 1.316 -7.121 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.882 2.626 -4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.436 1.587 -4.910 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.457 0.525 -5.902 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.076 3.743 -4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.727 4.393 -5.944 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.875 3.249 -6.680 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.826 -0.438 -3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.100 -0.085 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.094 0.994 -2.925 1.00 0.00 H new ATOM 1071 N TYR A 70 -1.492 3.693 -8.005 1.00 0.00 N ATOM 1072 CA TYR A 70 -1.127 4.930 -8.661 1.00 0.00 C ATOM 1073 C TYR A 70 -1.977 6.064 -8.123 1.00 0.00 C ATOM 1074 O TYR A 70 -3.175 6.101 -8.368 1.00 0.00 O ATOM 1075 CB TYR A 70 -1.316 4.741 -10.150 1.00 0.00 C ATOM 1076 CG TYR A 70 -0.295 3.781 -10.713 1.00 0.00 C ATOM 1077 CD1 TYR A 70 -0.333 2.426 -10.343 1.00 0.00 C ATOM 1078 CD2 TYR A 70 0.666 4.233 -11.638 1.00 0.00 C ATOM 1079 CE1 TYR A 70 0.628 1.566 -10.860 1.00 0.00 C ATOM 1080 CE2 TYR A 70 1.611 3.353 -12.169 1.00 0.00 C ATOM 1081 CZ TYR A 70 1.576 2.001 -11.789 1.00 0.00 C ATOM 1082 OH TYR A 70 2.473 1.114 -12.259 1.00 0.00 O ATOM 0 H TYR A 70 -2.363 3.291 -8.351 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.086 5.187 -8.466 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.320 4.365 -10.347 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.231 5.703 -10.655 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.094 2.060 -9.670 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.672 5.270 -11.939 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.642 0.536 -10.536 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.359 3.707 -12.863 1.00 0.00 H new ATOM 0 HH TYR A 70 2.033 0.507 -12.890 1.00 0.00 H new ATOM 1092 N TRP A 71 -1.354 6.958 -7.351 1.00 0.00 N ATOM 1093 CA TRP A 71 -1.985 8.208 -6.906 1.00 0.00 C ATOM 1094 C TRP A 71 -2.485 9.078 -8.075 1.00 0.00 C ATOM 1095 O TRP A 71 -2.251 8.819 -9.251 1.00 0.00 O ATOM 1096 CB TRP A 71 -0.981 9.014 -6.056 1.00 0.00 C ATOM 1097 CG TRP A 71 0.398 9.113 -6.614 1.00 0.00 C ATOM 1098 CD1 TRP A 71 0.832 9.972 -7.561 1.00 0.00 C ATOM 1099 CD2 TRP A 71 1.529 8.274 -6.277 1.00 0.00 C ATOM 1100 NE1 TRP A 71 2.167 9.733 -7.818 1.00 0.00 N ATOM 1101 CE2 TRP A 71 2.648 8.699 -7.044 1.00 0.00 C ATOM 1102 CE3 TRP A 71 1.695 7.166 -5.428 1.00 0.00 C ATOM 1103 CZ2 TRP A 71 3.878 8.039 -6.988 1.00 0.00 C ATOM 1104 CZ3 TRP A 71 2.944 6.534 -5.308 1.00 0.00 C ATOM 1105 CH2 TRP A 71 4.036 6.959 -6.102 1.00 0.00 C ATOM 0 H TRP A 71 -0.398 6.838 -7.016 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.859 7.935 -6.315 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.373 10.022 -5.921 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -0.922 8.560 -5.067 1.00 0.00 H new ATOM 0 HD1 TRP A 71 0.229 10.728 -8.042 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.726 10.254 -8.494 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.853 6.796 -4.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 4.697 8.354 -7.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 3.071 5.722 -4.608 1.00 0.00 H new ATOM 0 HH2 TRP A 71 4.988 6.455 -6.027 1.00 0.00 H new ATOM 1116 N VAL A 72 -3.031 10.241 -7.729 1.00 0.00 N ATOM 1117 CA VAL A 72 -3.593 11.174 -8.713 1.00 0.00 C ATOM 1118 C VAL A 72 -2.546 11.675 -9.692 1.00 0.00 C ATOM 1119 O VAL A 72 -2.796 11.686 -10.886 1.00 0.00 O ATOM 1120 CB VAL A 72 -4.189 12.408 -8.035 1.00 0.00 C ATOM 1121 CG1 VAL A 72 -4.813 13.344 -9.085 1.00 0.00 C ATOM 1122 CG2 VAL A 72 -5.248 12.017 -6.994 1.00 0.00 C ATOM 0 H VAL A 72 -3.098 10.566 -6.764 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.361 10.609 -9.241 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.380 12.928 -7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.234 14.219 -8.589 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.046 13.662 -9.791 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.602 12.816 -9.620 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.652 12.917 -6.530 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.053 11.468 -7.482 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.792 11.388 -6.229 1.00 0.00 H new ATOM 1132 N GLY A 73 -1.406 12.168 -9.178 1.00 0.00 N ATOM 1133 CA GLY A 73 -0.294 12.643 -10.013 1.00 0.00 C ATOM 1134 C GLY A 73 0.168 11.629 -11.063 1.00 0.00 C ATOM 1135 O GLY A 73 0.689 12.028 -12.097 1.00 0.00 O ATOM 0 H GLY A 73 -1.232 12.247 -8.176 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.597 13.561 -10.517 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.549 12.895 -9.370 1.00 0.00 H new ATOM 1139 N LYS A 74 0.030 10.328 -10.776 1.00 0.00 N ATOM 1140 CA LYS A 74 0.227 9.262 -11.752 1.00 0.00 C ATOM 1141 C LYS A 74 -0.951 9.088 -12.732 1.00 0.00 C ATOM 1142 O LYS A 74 -2.105 9.345 -12.429 1.00 0.00 O ATOM 1143 CB LYS A 74 0.437 7.962 -10.970 1.00 0.00 C ATOM 1144 CG LYS A 74 1.919 7.749 -10.651 1.00 0.00 C ATOM 1145 CD LYS A 74 2.092 6.595 -9.651 1.00 0.00 C ATOM 1146 CE LYS A 74 3.523 6.051 -9.647 1.00 0.00 C ATOM 1147 NZ LYS A 74 3.746 5.179 -10.827 1.00 0.00 N ATOM 0 H LYS A 74 -0.224 9.988 -9.848 1.00 0.00 H new ATOM 0 HA LYS A 74 1.088 9.523 -12.367 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.137 7.993 -10.044 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.061 7.119 -11.550 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.467 7.529 -11.567 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.343 8.664 -10.237 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.832 6.940 -8.650 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.399 5.792 -9.901 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.234 6.878 -9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.703 5.488 -8.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.132 4.265 -10.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.843 5.024 -11.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.419 5.636 -11.474 1.00 0.00 H new ATOM 1161 N ASN A 75 -0.667 8.476 -13.878 1.00 0.00 N ATOM 1162 CA ASN A 75 -1.666 8.251 -14.935 1.00 0.00 C ATOM 1163 C ASN A 75 -1.573 6.826 -15.476 1.00 0.00 C ATOM 1164 O ASN A 75 -1.499 6.610 -16.685 1.00 0.00 O ATOM 1165 CB ASN A 75 -1.478 9.292 -16.051 1.00 0.00 C ATOM 1166 CG ASN A 75 -1.547 10.725 -15.575 1.00 0.00 C ATOM 1167 OD1 ASN A 75 -0.593 11.270 -15.057 1.00 0.00 O ATOM 1168 ND2 ASN A 75 -2.654 11.387 -15.789 1.00 0.00 N ATOM 0 H ASN A 75 0.261 8.119 -14.107 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.665 8.371 -14.516 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.513 9.125 -16.530 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.243 9.136 -16.812 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -2.721 12.369 -15.520 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.450 10.922 -16.225 1.00 0.00 H new ATOM 1175 N ALA A 76 -1.450 5.851 -14.582 1.00 0.00 N ATOM 1176 CA ALA A 76 -1.385 4.455 -14.986 1.00 0.00 C ATOM 1177 C ALA A 76 -1.865 3.547 -13.858 1.00 0.00 C ATOM 1178 O ALA A 76 -2.292 4.047 -12.825 1.00 0.00 O ATOM 1179 CB ALA A 76 0.056 4.142 -15.426 1.00 0.00 C ATOM 0 H ALA A 76 -1.394 6.003 -13.575 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.050 4.269 -15.829 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.124 3.098 -15.733 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.329 4.785 -16.263 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.737 4.321 -14.594 1.00 0.00 H new ATOM 1185 N GLU A 77 -1.733 2.237 -14.041 1.00 0.00 N ATOM 1186 CA GLU A 77 -2.058 1.215 -13.039 1.00 0.00 C ATOM 1187 C GLU A 77 -0.983 0.130 -12.966 1.00 0.00 C ATOM 1188 O GLU A 77 -0.054 0.090 -13.779 1.00 0.00 O ATOM 1189 CB GLU A 77 -3.394 0.570 -13.393 1.00 0.00 C ATOM 1190 CG GLU A 77 -4.590 1.443 -12.992 1.00 0.00 C ATOM 1191 CD GLU A 77 -5.822 1.055 -13.826 1.00 0.00 C ATOM 1192 OE1 GLU A 77 -6.019 -0.167 -14.041 1.00 0.00 O ATOM 1193 OE2 GLU A 77 -6.515 1.984 -14.296 1.00 0.00 O ATOM 0 H GLU A 77 -1.387 1.841 -14.915 1.00 0.00 H new ATOM 0 HA GLU A 77 -2.112 1.704 -12.066 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.430 0.380 -14.466 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.471 -0.397 -12.896 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.804 1.317 -11.931 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.352 2.495 -13.147 1.00 0.00 H new ATOM 1200 N TRP A 78 -1.090 -0.722 -11.939 1.00 0.00 N ATOM 1201 CA TRP A 78 -0.122 -1.780 -11.693 1.00 0.00 C ATOM 1202 C TRP A 78 -0.531 -3.032 -12.462 1.00 0.00 C ATOM 1203 O TRP A 78 -1.709 -3.379 -12.574 1.00 0.00 O ATOM 1204 CB TRP A 78 0.011 -2.086 -10.199 1.00 0.00 C ATOM 1205 CG TRP A 78 1.323 -2.669 -9.833 1.00 0.00 C ATOM 1206 CD1 TRP A 78 1.587 -3.984 -9.715 1.00 0.00 C ATOM 1207 CD2 TRP A 78 2.533 -1.977 -9.449 1.00 0.00 C ATOM 1208 NE1 TRP A 78 2.893 -4.176 -9.334 1.00 0.00 N ATOM 1209 CE2 TRP A 78 3.518 -2.959 -9.172 1.00 0.00 C ATOM 1210 CE3 TRP A 78 2.906 -0.631 -9.287 1.00 0.00 C ATOM 1211 CZ2 TRP A 78 4.807 -2.609 -8.801 1.00 0.00 C ATOM 1212 CZ3 TRP A 78 4.221 -0.267 -8.967 1.00 0.00 C ATOM 1213 CH2 TRP A 78 5.176 -1.246 -8.702 1.00 0.00 C ATOM 0 H TRP A 78 -1.851 -0.692 -11.261 1.00 0.00 H new ATOM 0 HA TRP A 78 0.854 -1.442 -12.042 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -0.141 -1.167 -9.632 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -0.780 -2.776 -9.905 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.874 -4.775 -9.894 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.334 -5.085 -9.192 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.161 0.141 -9.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.533 -3.380 -8.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.495 0.777 -8.926 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.183 -0.969 -8.425 1.00 0.00 H new ATOM 1224 N ALA A 79 0.455 -3.716 -13.024 1.00 0.00 N ATOM 1225 CA ALA A 79 0.212 -4.960 -13.739 1.00 0.00 C ATOM 1226 C ALA A 79 0.006 -6.153 -12.801 1.00 0.00 C ATOM 1227 O ALA A 79 0.035 -6.013 -11.602 1.00 0.00 O ATOM 1228 CB ALA A 79 1.355 -5.205 -14.713 1.00 0.00 C ATOM 0 H ALA A 79 1.434 -3.429 -12.998 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.722 -4.858 -14.292 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.180 -6.136 -15.253 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.412 -4.379 -15.422 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.293 -5.276 -14.163 1.00 0.00 H new ATOM 1234 N LYS A 80 -0.156 -7.356 -13.345 1.00 0.00 N ATOM 1235 CA LYS A 80 -0.299 -8.587 -12.549 1.00 0.00 C ATOM 1236 C LYS A 80 0.979 -9.408 -12.545 1.00 0.00 C ATOM 1237 O LYS A 80 1.542 -9.674 -11.495 1.00 0.00 O ATOM 1238 CB LYS A 80 -1.466 -9.406 -13.104 1.00 0.00 C ATOM 1239 CG LYS A 80 -2.796 -8.998 -12.449 1.00 0.00 C ATOM 1240 CD LYS A 80 -3.440 -7.783 -13.143 1.00 0.00 C ATOM 1241 CE LYS A 80 -4.270 -8.245 -14.351 1.00 0.00 C ATOM 1242 NZ LYS A 80 -4.562 -7.104 -15.259 1.00 0.00 N ATOM 0 H LYS A 80 -0.193 -7.513 -14.352 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.501 -8.311 -11.514 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.531 -9.265 -14.183 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.283 -10.467 -12.931 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.487 -9.840 -12.480 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.625 -8.765 -11.398 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.076 -7.247 -12.439 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.666 -7.087 -13.468 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.729 -9.019 -14.895 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.204 -8.690 -14.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.123 -7.439 -16.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.098 -6.378 -14.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.669 -6.696 -15.603 1.00 0.00 H new ATOM 1256 N ASP A 81 1.455 -9.795 -13.725 1.00 0.00 N ATOM 1257 CA ASP A 81 2.698 -10.559 -13.922 1.00 0.00 C ATOM 1258 C ASP A 81 3.921 -9.623 -14.133 1.00 0.00 C ATOM 1259 O ASP A 81 4.891 -9.896 -14.827 1.00 0.00 O ATOM 1260 CB ASP A 81 2.492 -11.569 -15.054 1.00 0.00 C ATOM 1261 CG ASP A 81 3.743 -12.418 -15.273 1.00 0.00 C ATOM 1262 OD1 ASP A 81 4.326 -12.801 -14.235 1.00 0.00 O ATOM 1263 OD2 ASP A 81 4.055 -12.650 -16.461 1.00 0.00 O ATOM 0 H ASP A 81 0.977 -9.583 -14.601 1.00 0.00 H new ATOM 0 HA ASP A 81 2.932 -11.121 -13.018 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.647 -12.216 -14.818 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.242 -11.041 -15.974 1.00 0.00 H new ATOM 1268 N VAL A 82 3.896 -8.439 -13.532 1.00 0.00 N ATOM 1269 CA VAL A 82 5.026 -7.512 -13.669 1.00 0.00 C ATOM 1270 C VAL A 82 5.575 -7.171 -12.298 1.00 0.00 C ATOM 1271 O VAL A 82 4.834 -6.924 -11.345 1.00 0.00 O ATOM 1272 CB VAL A 82 4.556 -6.284 -14.435 1.00 0.00 C ATOM 1273 CG1 VAL A 82 5.618 -5.210 -14.537 1.00 0.00 C ATOM 1274 CG2 VAL A 82 4.133 -6.613 -15.895 1.00 0.00 C ATOM 0 H VAL A 82 3.126 -8.098 -12.956 1.00 0.00 H new ATOM 0 HA VAL A 82 5.841 -7.968 -14.232 1.00 0.00 H new ATOM 0 HB VAL A 82 3.705 -5.928 -13.855 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.224 -4.360 -15.094 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.906 -4.887 -13.537 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.491 -5.609 -15.054 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.807 -5.700 -16.394 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.981 -7.037 -16.433 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.314 -7.332 -15.883 1.00 0.00 H new ATOM 1284 N LYS A 83 6.898 -7.042 -12.224 1.00 0.00 N ATOM 1285 CA LYS A 83 7.571 -6.574 -11.011 1.00 0.00 C ATOM 1286 C LYS A 83 7.597 -5.057 -10.909 1.00 0.00 C ATOM 1287 O LYS A 83 7.589 -4.376 -11.914 1.00 0.00 O ATOM 1288 CB LYS A 83 8.982 -7.166 -11.017 1.00 0.00 C ATOM 1289 CG LYS A 83 9.550 -7.207 -9.592 1.00 0.00 C ATOM 1290 CD LYS A 83 10.921 -7.888 -9.596 1.00 0.00 C ATOM 1291 CE LYS A 83 11.696 -7.517 -8.323 1.00 0.00 C ATOM 1292 NZ LYS A 83 11.162 -8.224 -7.130 1.00 0.00 N ATOM 0 H LYS A 83 7.530 -7.256 -12.995 1.00 0.00 H new ATOM 0 HA LYS A 83 7.020 -6.908 -10.132 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.959 -8.172 -11.436 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.631 -6.569 -11.657 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.638 -6.195 -9.197 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.868 -7.747 -8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.799 -8.970 -9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.485 -7.583 -10.477 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.749 -7.766 -8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.640 -6.440 -8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.709 -7.949 -6.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.164 -7.967 -6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.239 -9.251 -7.272 1.00 0.00 H new ATOM 1306 N THR A 84 7.854 -4.509 -9.726 1.00 0.00 N ATOM 1307 CA THR A 84 8.064 -3.065 -9.501 1.00 0.00 C ATOM 1308 C THR A 84 9.051 -2.416 -10.456 1.00 0.00 C ATOM 1309 O THR A 84 8.739 -1.378 -11.015 1.00 0.00 O ATOM 1310 CB THR A 84 8.531 -2.790 -8.068 1.00 0.00 C ATOM 1311 OG1 THR A 84 9.672 -3.598 -7.838 1.00 0.00 O ATOM 1312 CG2 THR A 84 7.500 -3.180 -7.004 1.00 0.00 C ATOM 0 H THR A 84 7.926 -5.061 -8.871 1.00 0.00 H new ATOM 0 HA THR A 84 7.087 -2.619 -9.686 1.00 0.00 H new ATOM 0 HB THR A 84 8.715 -1.719 -7.984 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.002 -3.447 -6.927 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.897 -2.958 -6.014 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.582 -2.614 -7.162 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.286 -4.246 -7.078 1.00 0.00 H new ATOM 1320 N SER A 85 10.209 -3.043 -10.666 1.00 0.00 N ATOM 1321 CA SER A 85 11.222 -2.553 -11.610 1.00 0.00 C ATOM 1322 C SER A 85 10.746 -2.623 -13.062 1.00 0.00 C ATOM 1323 O SER A 85 10.968 -1.703 -13.837 1.00 0.00 O ATOM 1324 CB SER A 85 12.489 -3.395 -11.464 1.00 0.00 C ATOM 1325 OG SER A 85 13.554 -2.845 -12.197 1.00 0.00 O ATOM 0 H SER A 85 10.474 -3.904 -10.188 1.00 0.00 H new ATOM 0 HA SER A 85 11.415 -1.507 -11.373 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.765 -3.461 -10.412 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.295 -4.411 -11.807 1.00 0.00 H new ATOM 0 HG SER A 85 14.352 -3.403 -12.084 1.00 0.00 H new ATOM 1331 N GLN A 86 10.027 -3.692 -13.422 1.00 0.00 N ATOM 1332 CA GLN A 86 9.404 -3.832 -14.737 1.00 0.00 C ATOM 1333 C GLN A 86 8.068 -3.067 -14.882 1.00 0.00 C ATOM 1334 O GLN A 86 7.393 -3.146 -15.908 1.00 0.00 O ATOM 1335 CB GLN A 86 9.300 -5.341 -15.045 1.00 0.00 C ATOM 1336 CG GLN A 86 9.172 -5.630 -16.557 1.00 0.00 C ATOM 1337 CD GLN A 86 10.415 -5.273 -17.373 1.00 0.00 C ATOM 1338 OE1 GLN A 86 11.408 -4.728 -16.928 1.00 0.00 O ATOM 1339 NE2 GLN A 86 10.365 -5.493 -18.661 1.00 0.00 N ATOM 0 H GLN A 86 9.862 -4.487 -12.804 1.00 0.00 H new ATOM 0 HA GLN A 86 10.030 -3.352 -15.489 1.00 0.00 H new ATOM 0 HB2 GLN A 86 10.182 -5.850 -14.655 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.437 -5.756 -14.525 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.952 -6.689 -16.695 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.321 -5.074 -16.951 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.548 -5.948 -19.069 1.00 0.00 H new ATOM 0 HE22 GLN A 86 11.143 -5.210 -19.257 1.00 0.00 H new ATOM 1348 N GLN A 87 7.665 -2.303 -13.873 1.00 0.00 N ATOM 1349 CA GLN A 87 6.394 -1.616 -13.853 1.00 0.00 C ATOM 1350 C GLN A 87 6.532 -0.279 -14.565 1.00 0.00 C ATOM 1351 O GLN A 87 6.842 0.727 -13.929 1.00 0.00 O ATOM 1352 CB GLN A 87 5.941 -1.436 -12.401 1.00 0.00 C ATOM 1353 CG GLN A 87 4.446 -1.192 -12.396 1.00 0.00 C ATOM 1354 CD GLN A 87 3.652 -2.406 -12.834 1.00 0.00 C ATOM 1355 OE1 GLN A 87 2.942 -2.372 -13.815 1.00 0.00 O ATOM 1356 NE2 GLN A 87 3.810 -3.537 -12.186 1.00 0.00 N ATOM 0 H GLN A 87 8.226 -2.146 -13.036 1.00 0.00 H new ATOM 0 HA GLN A 87 5.637 -2.201 -14.376 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.183 -2.323 -11.815 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.464 -0.598 -11.941 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.133 -0.901 -11.393 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.217 -0.356 -13.056 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.407 -3.572 -11.359 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.336 -4.380 -12.509 1.00 0.00 H new ATOM 1365 N LYS A 88 6.275 -0.258 -15.884 1.00 0.00 N ATOM 1366 CA LYS A 88 6.403 0.907 -16.743 1.00 0.00 C ATOM 1367 C LYS A 88 5.783 2.129 -16.116 1.00 0.00 C ATOM 1368 O LYS A 88 6.460 3.139 -16.006 1.00 0.00 O ATOM 1369 CB LYS A 88 5.722 0.685 -18.088 1.00 0.00 C ATOM 1370 CG LYS A 88 6.526 -0.253 -18.971 1.00 0.00 C ATOM 1371 CD LYS A 88 6.602 -1.670 -18.438 1.00 0.00 C ATOM 1372 CE LYS A 88 6.943 -2.682 -19.527 1.00 0.00 C ATOM 1373 NZ LYS A 88 8.374 -2.595 -19.910 1.00 0.00 N ATOM 0 H LYS A 88 5.962 -1.087 -16.389 1.00 0.00 H new ATOM 0 HA LYS A 88 7.473 1.061 -16.884 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.726 0.272 -17.929 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.593 1.642 -18.594 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.082 -0.271 -19.966 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.537 0.140 -19.080 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.354 -1.720 -17.651 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.648 -1.936 -17.984 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.718 -3.689 -19.175 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.318 -2.503 -20.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.578 -3.294 -20.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.580 -1.640 -20.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.968 -2.789 -19.079 1.00 0.00 H new ATOM 1387 N GLY A 89 4.516 1.984 -15.688 1.00 0.00 N ATOM 1388 CA GLY A 89 3.733 3.006 -14.999 1.00 0.00 C ATOM 1389 C GLY A 89 4.530 3.802 -13.954 1.00 0.00 C ATOM 1390 O GLY A 89 4.352 5.010 -13.788 1.00 0.00 O ATOM 0 H GLY A 89 3.997 1.116 -15.821 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.328 3.698 -15.737 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.884 2.530 -14.509 1.00 0.00 H new ATOM 1394 N GLY A 90 5.366 3.116 -13.179 1.00 0.00 N ATOM 1395 CA GLY A 90 6.372 3.717 -12.321 1.00 0.00 C ATOM 1396 C GLY A 90 6.291 3.127 -10.921 1.00 0.00 C ATOM 1397 O GLY A 90 5.206 2.687 -10.520 1.00 0.00 O ATOM 0 H GLY A 90 5.358 2.097 -13.132 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.365 3.547 -12.738 1.00 0.00 H new ATOM 0 HA3 GLY A 90 6.225 4.796 -12.277 1.00 0.00 H new ATOM 1401 N PRO A 91 7.356 3.273 -10.126 1.00 0.00 N ATOM 1402 CA PRO A 91 7.403 2.810 -8.750 1.00 0.00 C ATOM 1403 C PRO A 91 6.447 3.595 -7.851 1.00 0.00 C ATOM 1404 O PRO A 91 6.222 4.798 -8.004 1.00 0.00 O ATOM 1405 CB PRO A 91 8.856 2.991 -8.308 1.00 0.00 C ATOM 1406 CG PRO A 91 9.361 4.135 -9.192 1.00 0.00 C ATOM 1407 CD PRO A 91 8.577 3.969 -10.486 1.00 0.00 C ATOM 0 HA PRO A 91 7.083 1.771 -8.673 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.925 3.242 -7.249 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.437 2.081 -8.459 1.00 0.00 H new ATOM 0 HG2 PRO A 91 9.175 5.106 -8.734 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.435 4.064 -9.363 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.356 4.937 -10.936 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.149 3.400 -11.219 1.00 0.00 H new ATOM 1415 N THR A 92 5.863 2.881 -6.895 1.00 0.00 N ATOM 1416 CA THR A 92 4.899 3.430 -5.944 1.00 0.00 C ATOM 1417 C THR A 92 5.093 2.788 -4.556 1.00 0.00 C ATOM 1418 O THR A 92 4.949 1.569 -4.398 1.00 0.00 O ATOM 1419 CB THR A 92 3.435 3.390 -6.410 1.00 0.00 C ATOM 1420 OG1 THR A 92 2.662 3.429 -5.242 1.00 0.00 O ATOM 1421 CG2 THR A 92 3.154 2.171 -7.272 1.00 0.00 C ATOM 0 H THR A 92 6.048 1.888 -6.755 1.00 0.00 H new ATOM 0 HA THR A 92 5.117 4.496 -5.874 1.00 0.00 H new ATOM 0 HB THR A 92 3.191 4.236 -7.053 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.714 3.506 -5.479 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.109 2.178 -7.582 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.794 2.193 -8.154 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.357 1.266 -6.699 1.00 0.00 H new ATOM 1429 N PRO A 93 5.457 3.596 -3.545 1.00 0.00 N ATOM 1430 CA PRO A 93 5.624 3.138 -2.183 1.00 0.00 C ATOM 1431 C PRO A 93 4.294 2.838 -1.528 1.00 0.00 C ATOM 1432 O PRO A 93 4.252 1.961 -0.670 1.00 0.00 O ATOM 1433 CB PRO A 93 6.309 4.290 -1.444 1.00 0.00 C ATOM 1434 CG PRO A 93 5.931 5.536 -2.216 1.00 0.00 C ATOM 1435 CD PRO A 93 5.778 5.004 -3.633 1.00 0.00 C ATOM 0 HA PRO A 93 6.204 2.215 -2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.972 4.350 -0.409 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.390 4.155 -1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.007 5.979 -1.846 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.701 6.304 -2.151 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.991 5.543 -4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.699 5.151 -4.198 1.00 0.00 H new ATOM 1443 N ILE A 94 3.253 3.605 -1.881 1.00 0.00 N ATOM 1444 CA ILE A 94 1.912 3.489 -1.331 1.00 0.00 C ATOM 1445 C ILE A 94 1.258 2.196 -1.768 1.00 0.00 C ATOM 1446 O ILE A 94 1.138 1.972 -2.973 1.00 0.00 O ATOM 1447 CB ILE A 94 0.984 4.646 -1.733 1.00 0.00 C ATOM 1448 CG1 ILE A 94 1.548 5.971 -1.233 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.424 4.444 -1.116 1.00 0.00 C ATOM 1450 CD1 ILE A 94 0.948 7.166 -1.922 1.00 0.00 C ATOM 0 H ILE A 94 3.333 4.344 -2.580 1.00 0.00 H new ATOM 0 HA ILE A 94 2.045 3.514 -0.249 1.00 0.00 H new ATOM 0 HB ILE A 94 0.912 4.661 -2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.373 6.052 -0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.628 5.978 -1.381 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.071 5.271 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.848 3.506 -1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.344 4.413 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.391 8.078 -1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.146 7.106 -2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.129 7.181 -1.753 1.00 0.00 H new ATOM 1462 N ARG A 95 0.848 1.356 -0.814 1.00 0.00 N ATOM 1463 CA ARG A 95 0.222 0.070 -1.127 1.00 0.00 C ATOM 1464 C ARG A 95 -0.941 -0.219 -0.186 1.00 0.00 C ATOM 1465 O ARG A 95 -0.862 0.038 1.008 1.00 0.00 O ATOM 1466 CB ARG A 95 1.274 -1.056 -1.076 1.00 0.00 C ATOM 1467 CG ARG A 95 2.527 -0.849 -1.947 1.00 0.00 C ATOM 1468 CD ARG A 95 3.749 -1.419 -1.269 1.00 0.00 C ATOM 1469 NE ARG A 95 4.772 -1.733 -2.271 1.00 0.00 N ATOM 1470 CZ ARG A 95 6.036 -1.963 -1.992 1.00 0.00 C ATOM 1471 NH1 ARG A 95 6.503 -1.842 -0.783 1.00 0.00 N ATOM 1472 NH2 ARG A 95 6.858 -2.297 -2.939 1.00 0.00 N ATOM 0 H ARG A 95 0.939 1.545 0.184 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.183 0.119 -2.138 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.592 -1.182 -0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.795 -1.987 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.386 -1.328 -2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 95 2.673 0.215 -2.136 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.142 -0.704 -0.546 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.482 -2.319 -0.714 1.00 0.00 H new ATOM 0 HE ARG A 95 4.484 -1.776 -3.249 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.883 -1.562 -0.023 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.489 -2.027 -0.596 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.523 -2.381 -3.899 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.839 -2.476 -2.723 1.00 0.00 H new ATOM 1486 N VAL A 96 -2.063 -0.696 -0.704 1.00 0.00 N ATOM 1487 CA VAL A 96 -3.205 -1.092 0.129 1.00 0.00 C ATOM 1488 C VAL A 96 -2.926 -2.376 0.895 1.00 0.00 C ATOM 1489 O VAL A 96 -2.363 -3.305 0.335 1.00 0.00 O ATOM 1490 CB VAL A 96 -4.460 -1.237 -0.733 1.00 0.00 C ATOM 1491 CG1 VAL A 96 -4.349 -2.398 -1.750 1.00 0.00 C ATOM 1492 CG2 VAL A 96 -5.686 -1.363 0.189 1.00 0.00 C ATOM 0 H VAL A 96 -2.214 -0.822 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.370 -0.306 0.866 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.576 -0.343 -1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.266 -2.457 -2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.504 -2.220 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.199 -3.336 -1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.587 -1.467 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.573 -2.240 0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.767 -0.471 0.810 1.00 0.00 H new ATOM 1502 N VAL A 97 -3.356 -2.452 2.145 1.00 0.00 N ATOM 1503 CA VAL A 97 -3.202 -3.605 3.018 1.00 0.00 C ATOM 1504 C VAL A 97 -4.549 -4.134 3.444 1.00 0.00 C ATOM 1505 O VAL A 97 -5.468 -3.386 3.773 1.00 0.00 O ATOM 1506 CB VAL A 97 -2.348 -3.290 4.245 1.00 0.00 C ATOM 1507 CG1 VAL A 97 -2.181 -4.504 5.128 1.00 0.00 C ATOM 1508 CG2 VAL A 97 -0.987 -2.751 3.849 1.00 0.00 C ATOM 0 H VAL A 97 -3.843 -1.678 2.598 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.682 -4.372 2.444 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.876 -2.521 4.809 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.568 -4.244 5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.159 -4.845 5.467 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.695 -5.300 4.564 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.405 -2.537 4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.464 -3.492 3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.112 -1.835 3.271 1.00 0.00 H new ATOM 1518 N TYR A 98 -4.700 -5.446 3.386 1.00 0.00 N ATOM 1519 CA TYR A 98 -5.967 -6.126 3.620 1.00 0.00 C ATOM 1520 C TYR A 98 -5.722 -7.410 4.362 1.00 0.00 C ATOM 1521 O TYR A 98 -4.615 -7.906 4.330 1.00 0.00 O ATOM 1522 CB TYR A 98 -6.698 -6.419 2.306 1.00 0.00 C ATOM 1523 CG TYR A 98 -5.891 -6.705 1.061 1.00 0.00 C ATOM 1524 CD1 TYR A 98 -5.059 -5.711 0.508 1.00 0.00 C ATOM 1525 CD2 TYR A 98 -5.998 -7.960 0.441 1.00 0.00 C ATOM 1526 CE1 TYR A 98 -4.234 -6.008 -0.581 1.00 0.00 C ATOM 1527 CE2 TYR A 98 -5.236 -8.238 -0.707 1.00 0.00 C ATOM 1528 CZ TYR A 98 -4.350 -7.259 -1.210 1.00 0.00 C ATOM 1529 OH TYR A 98 -3.599 -7.512 -2.299 1.00 0.00 O ATOM 0 H TYR A 98 -3.932 -6.082 3.171 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.599 -5.468 4.217 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.351 -7.275 2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -7.341 -5.566 2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -5.059 -4.716 0.927 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.663 -8.709 0.845 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.515 -5.284 -0.935 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.327 -9.194 -1.201 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.760 -7.009 -2.242 1.00 0.00 H new ATOM 1539 N ALA A 99 -6.747 -7.965 5.001 1.00 0.00 N ATOM 1540 CA ALA A 99 -6.640 -9.245 5.708 1.00 0.00 C ATOM 1541 C ALA A 99 -7.033 -10.419 4.821 1.00 0.00 C ATOM 1542 O ALA A 99 -7.628 -10.208 3.775 1.00 0.00 O ATOM 1543 CB ALA A 99 -7.510 -9.175 6.964 1.00 0.00 C ATOM 0 H ALA A 99 -7.675 -7.544 5.046 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.601 -9.416 5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.444 -10.119 7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.161 -8.365 7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.546 -8.991 6.679 1.00 0.00 H new ATOM 1549 N ASN A 100 -6.731 -11.637 5.278 1.00 0.00 N ATOM 1550 CA ASN A 100 -7.023 -12.903 4.619 1.00 0.00 C ATOM 1551 C ASN A 100 -7.947 -13.770 5.484 1.00 0.00 C ATOM 1552 O ASN A 100 -7.771 -14.982 5.630 1.00 0.00 O ATOM 1553 CB ASN A 100 -5.715 -13.608 4.220 1.00 0.00 C ATOM 1554 CG ASN A 100 -5.887 -14.572 3.067 1.00 0.00 C ATOM 1555 OD1 ASN A 100 -5.002 -14.721 2.254 1.00 0.00 O ATOM 1556 ND2 ASN A 100 -6.999 -15.253 2.953 1.00 0.00 N ATOM 0 H ASN A 100 -6.249 -11.768 6.168 1.00 0.00 H new ATOM 0 HA ASN A 100 -7.570 -12.715 3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -4.973 -12.857 3.950 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -5.323 -14.148 5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -7.119 -15.908 2.180 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -7.745 -15.129 3.637 1.00 0.00 H new ATOM 1563 N SER A 101 -8.974 -13.160 6.058 1.00 0.00 N ATOM 1564 CA SER A 101 -9.901 -13.892 6.921 1.00 0.00 C ATOM 1565 C SER A 101 -10.671 -14.978 6.174 1.00 0.00 C ATOM 1566 O SER A 101 -11.694 -14.688 5.579 1.00 0.00 O ATOM 1567 CB SER A 101 -10.878 -12.926 7.592 1.00 0.00 C ATOM 1568 OG SER A 101 -11.475 -11.998 6.712 1.00 0.00 O ATOM 0 H SER A 101 -9.189 -12.169 5.946 1.00 0.00 H new ATOM 0 HA SER A 101 -9.297 -14.390 7.680 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.663 -13.503 8.080 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.351 -12.380 8.374 1.00 0.00 H new ATOM 0 HG SER A 101 -12.086 -11.418 7.213 1.00 0.00 H new ATOM 1574 N ARG A 102 -10.238 -16.248 6.203 1.00 0.00 N ATOM 1575 CA ARG A 102 -10.883 -17.360 5.446 1.00 0.00 C ATOM 1576 C ARG A 102 -11.194 -17.037 3.967 1.00 0.00 C ATOM 1577 O ARG A 102 -12.182 -17.517 3.423 1.00 0.00 O ATOM 1578 CB ARG A 102 -12.153 -17.824 6.195 1.00 0.00 C ATOM 1579 CG ARG A 102 -11.850 -18.407 7.590 1.00 0.00 C ATOM 1580 CD ARG A 102 -11.780 -17.335 8.700 1.00 0.00 C ATOM 1581 NE ARG A 102 -13.043 -16.569 8.803 1.00 0.00 N ATOM 1582 CZ ARG A 102 -14.131 -16.964 9.430 1.00 0.00 C ATOM 1583 NH1 ARG A 102 -14.167 -18.100 10.063 1.00 0.00 N ATOM 1584 NH2 ARG A 102 -15.200 -16.229 9.431 1.00 0.00 N ATOM 0 H ARG A 102 -9.430 -16.545 6.750 1.00 0.00 H new ATOM 0 HA ARG A 102 -10.153 -18.168 5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -12.835 -16.980 6.300 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.667 -18.576 5.597 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -12.619 -19.135 7.846 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.902 -18.944 7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.566 -17.814 9.655 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -10.956 -16.652 8.494 1.00 0.00 H new ATOM 0 HE ARG A 102 -13.073 -15.656 8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.343 -18.701 10.079 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.019 -18.389 10.543 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -15.204 -15.334 8.942 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -16.037 -16.546 9.921 1.00 0.00 H new ATOM 1598 N GLY A 103 -10.389 -16.163 3.361 1.00 0.00 N ATOM 1599 CA GLY A 103 -10.689 -15.564 2.054 1.00 0.00 C ATOM 1600 C GLY A 103 -11.617 -14.335 2.085 1.00 0.00 C ATOM 1601 O GLY A 103 -12.595 -14.288 1.348 1.00 0.00 O ATOM 0 H GLY A 103 -9.506 -15.848 3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.750 -15.276 1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.144 -16.325 1.421 1.00 0.00 H new ATOM 1605 N ALA A 104 -11.313 -13.305 2.880 1.00 0.00 N ATOM 1606 CA ALA A 104 -12.102 -12.067 2.922 1.00 0.00 C ATOM 1607 C ALA A 104 -11.190 -10.878 3.162 1.00 0.00 C ATOM 1608 O ALA A 104 -10.288 -10.950 3.994 1.00 0.00 O ATOM 1609 CB ALA A 104 -13.168 -12.131 4.030 1.00 0.00 C ATOM 0 H ALA A 104 -10.513 -13.304 3.513 1.00 0.00 H new ATOM 0 HA ALA A 104 -12.605 -11.953 1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.739 -11.202 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.840 -12.968 3.840 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.681 -12.268 4.996 1.00 0.00 H new ATOM 1615 N VAL A 105 -11.487 -9.780 2.473 1.00 0.00 N ATOM 1616 CA VAL A 105 -10.719 -8.541 2.554 1.00 0.00 C ATOM 1617 C VAL A 105 -11.476 -7.549 3.411 1.00 0.00 C ATOM 1618 O VAL A 105 -12.637 -7.264 3.139 1.00 0.00 O ATOM 1619 CB VAL A 105 -10.477 -7.961 1.152 1.00 0.00 C ATOM 1620 CG1 VAL A 105 -9.765 -6.608 1.265 1.00 0.00 C ATOM 1621 CG2 VAL A 105 -9.662 -8.949 0.292 1.00 0.00 C ATOM 0 H VAL A 105 -12.280 -9.725 1.833 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.748 -8.747 3.003 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.437 -7.805 0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.596 -6.201 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.384 -5.918 1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -8.808 -6.741 1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.500 -8.522 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.700 -9.138 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.210 -9.887 0.197 1.00 0.00 H new ATOM 1631 N GLN A 106 -10.777 -6.966 4.385 1.00 0.00 N ATOM 1632 CA GLN A 106 -11.324 -5.926 5.262 1.00 0.00 C ATOM 1633 C GLN A 106 -10.753 -4.537 4.997 1.00 0.00 C ATOM 1634 O GLN A 106 -11.008 -3.653 5.803 1.00 0.00 O ATOM 1635 CB GLN A 106 -11.199 -6.371 6.728 1.00 0.00 C ATOM 1636 CG GLN A 106 -9.803 -6.103 7.326 1.00 0.00 C ATOM 1637 CD GLN A 106 -9.718 -6.551 8.777 1.00 0.00 C ATOM 1638 OE1 GLN A 106 -9.819 -7.708 9.159 1.00 0.00 O ATOM 1639 NE2 GLN A 106 -9.478 -5.611 9.652 1.00 0.00 N ATOM 0 H GLN A 106 -9.807 -7.203 4.591 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.383 -5.814 5.030 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.949 -5.851 7.324 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.419 -7.436 6.798 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.049 -6.627 6.739 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.577 -5.039 7.260 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.391 -4.641 9.348 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.377 -5.847 10.639 1.00 0.00 H new ATOM 1648 N TYR A 107 -9.974 -4.371 3.910 1.00 0.00 N ATOM 1649 CA TYR A 107 -9.237 -3.140 3.607 1.00 0.00 C ATOM 1650 C TYR A 107 -8.610 -2.594 4.901 1.00 0.00 C ATOM 1651 O TYR A 107 -8.976 -1.528 5.381 1.00 0.00 O ATOM 1652 CB TYR A 107 -10.227 -2.159 2.957 1.00 0.00 C ATOM 1653 CG TYR A 107 -9.710 -0.751 2.765 1.00 0.00 C ATOM 1654 CD1 TYR A 107 -8.455 -0.571 2.154 1.00 0.00 C ATOM 1655 CD2 TYR A 107 -10.364 0.327 3.410 1.00 0.00 C ATOM 1656 CE1 TYR A 107 -7.890 0.714 2.138 1.00 0.00 C ATOM 1657 CE2 TYR A 107 -9.773 1.604 3.419 1.00 0.00 C ATOM 1658 CZ TYR A 107 -8.545 1.805 2.749 1.00 0.00 C ATOM 1659 OH TYR A 107 -7.972 3.035 2.702 1.00 0.00 O ATOM 0 H TYR A 107 -9.841 -5.102 3.211 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.415 -3.311 2.911 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -10.521 -2.556 1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -11.127 -2.117 3.570 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.936 -1.406 1.706 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -11.316 0.169 3.895 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.939 0.870 1.650 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.254 2.423 3.933 1.00 0.00 H new ATOM 0 HH TYR A 107 -7.951 3.421 3.603 1.00 0.00 H new ATOM 1669 N CYS A 108 -7.736 -3.386 5.539 1.00 0.00 N ATOM 1670 CA CYS A 108 -7.039 -2.967 6.766 1.00 0.00 C ATOM 1671 C CYS A 108 -6.546 -1.507 6.715 1.00 0.00 C ATOM 1672 O CYS A 108 -6.622 -0.790 7.713 1.00 0.00 O ATOM 1673 CB CYS A 108 -5.847 -3.896 7.006 1.00 0.00 C ATOM 1674 SG CYS A 108 -4.850 -3.429 8.426 1.00 0.00 S ATOM 0 H CYS A 108 -7.493 -4.325 5.224 1.00 0.00 H new ATOM 0 HA CYS A 108 -7.758 -3.030 7.583 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.212 -4.913 7.147 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.217 -3.903 6.116 1.00 0.00 H new ATOM 1679 N GLY A 109 -6.142 -1.060 5.528 1.00 0.00 N ATOM 1680 CA GLY A 109 -5.880 0.328 5.205 1.00 0.00 C ATOM 1681 C GLY A 109 -4.734 0.407 4.222 1.00 0.00 C ATOM 1682 O GLY A 109 -4.067 -0.567 3.915 1.00 0.00 O ATOM 0 H GLY A 109 -5.984 -1.685 4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.771 0.788 4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.636 0.884 6.110 1.00 0.00 H new ATOM 1686 N VAL A 110 -4.443 1.600 3.747 1.00 0.00 N ATOM 1687 CA VAL A 110 -3.306 1.842 2.850 1.00 0.00 C ATOM 1688 C VAL A 110 -2.100 2.330 3.617 1.00 0.00 C ATOM 1689 O VAL A 110 -2.239 3.017 4.618 1.00 0.00 O ATOM 1690 CB VAL A 110 -3.641 2.906 1.807 1.00 0.00 C ATOM 1691 CG1 VAL A 110 -2.832 2.685 0.529 1.00 0.00 C ATOM 1692 CG2 VAL A 110 -5.092 2.853 1.414 1.00 0.00 C ATOM 0 H VAL A 110 -4.982 2.438 3.966 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.089 0.890 2.365 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.404 3.868 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.086 3.454 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.768 2.740 0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.064 1.703 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -5.296 3.623 0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.319 1.874 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.714 3.024 2.293 1.00 0.00 H new ATOM 1702 N MET A 111 -0.903 2.021 3.151 1.00 0.00 N ATOM 1703 CA MET A 111 0.370 2.394 3.781 1.00 0.00 C ATOM 1704 C MET A 111 1.241 3.099 2.779 1.00 0.00 C ATOM 1705 O MET A 111 0.991 2.985 1.585 1.00 0.00 O ATOM 1706 CB MET A 111 1.079 1.176 4.410 1.00 0.00 C ATOM 1707 CG MET A 111 0.922 -0.137 3.630 1.00 0.00 C ATOM 1708 SD MET A 111 1.999 -0.392 2.236 1.00 0.00 S ATOM 1709 CE MET A 111 2.657 -2.024 2.678 1.00 0.00 C ATOM 0 H MET A 111 -0.776 1.484 2.293 1.00 0.00 H new ATOM 0 HA MET A 111 0.165 3.080 4.603 1.00 0.00 H new ATOM 0 HB2 MET A 111 2.141 1.401 4.504 1.00 0.00 H new ATOM 0 HB3 MET A 111 0.693 1.031 5.419 1.00 0.00 H new ATOM 0 HG2 MET A 111 1.070 -0.963 4.326 1.00 0.00 H new ATOM 0 HG3 MET A 111 -0.107 -0.199 3.277 1.00 0.00 H new ATOM 0 HE1 MET A 111 3.436 -2.306 1.970 1.00 0.00 H new ATOM 0 HE2 MET A 111 3.076 -1.987 3.684 1.00 0.00 H new ATOM 0 HE3 MET A 111 1.854 -2.761 2.646 1.00 0.00 H new ATOM 1719 N THR A 112 2.286 3.774 3.258 1.00 0.00 N ATOM 1720 CA THR A 112 3.324 4.383 2.431 1.00 0.00 C ATOM 1721 C THR A 112 4.665 4.488 3.149 1.00 0.00 C ATOM 1722 O THR A 112 4.769 4.452 4.372 1.00 0.00 O ATOM 1723 CB THR A 112 2.859 5.766 2.017 1.00 0.00 C ATOM 1724 OG1 THR A 112 3.675 6.246 0.979 1.00 0.00 O ATOM 1725 CG2 THR A 112 2.999 6.835 3.078 1.00 0.00 C ATOM 0 H THR A 112 2.436 3.915 4.257 1.00 0.00 H new ATOM 0 HA THR A 112 3.481 3.743 1.563 1.00 0.00 H new ATOM 0 HB THR A 112 1.809 5.620 1.765 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.372 7.139 0.711 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.640 7.786 2.685 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.411 6.558 3.953 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.047 6.932 3.361 1.00 0.00 H new ATOM 1733 N HIS A 113 5.735 4.618 2.380 1.00 0.00 N ATOM 1734 CA HIS A 113 7.040 4.867 2.972 1.00 0.00 C ATOM 1735 C HIS A 113 7.280 6.349 3.230 1.00 0.00 C ATOM 1736 O HIS A 113 6.850 7.171 2.428 1.00 0.00 O ATOM 1737 CB HIS A 113 8.081 4.315 2.021 1.00 0.00 C ATOM 1738 CG HIS A 113 7.818 2.907 1.537 1.00 0.00 C ATOM 1739 ND1 HIS A 113 7.977 2.452 0.240 1.00 0.00 N ATOM 1740 CD2 HIS A 113 7.464 1.847 2.311 1.00 0.00 C ATOM 1741 CE1 HIS A 113 7.732 1.136 0.208 1.00 0.00 C ATOM 1742 NE2 HIS A 113 7.462 0.753 1.466 1.00 0.00 N ATOM 0 H HIS A 113 5.728 4.557 1.362 1.00 0.00 H new ATOM 0 HA HIS A 113 7.099 4.376 3.944 1.00 0.00 H new ATOM 0 HB2 HIS A 113 8.148 4.975 1.156 1.00 0.00 H new ATOM 0 HB3 HIS A 113 9.052 4.338 2.515 1.00 0.00 H new ATOM 0 HD2 HIS A 113 7.233 1.857 3.366 1.00 0.00 H new ATOM 0 HE1 HIS A 113 7.749 0.502 -0.666 1.00 0.00 H new ATOM 0 HE2 HIS A 113 7.281 -0.208 1.757 1.00 0.00 H new ATOM 1751 N SER A 114 8.071 6.636 4.262 1.00 0.00 N ATOM 1752 CA SER A 114 8.415 8.005 4.617 1.00 0.00 C ATOM 1753 C SER A 114 9.341 8.579 3.575 1.00 0.00 C ATOM 1754 O SER A 114 8.947 9.533 2.937 1.00 0.00 O ATOM 1755 CB SER A 114 9.063 8.088 5.984 1.00 0.00 C ATOM 1756 OG SER A 114 8.938 9.424 6.373 1.00 0.00 O ATOM 0 H SER A 114 8.487 5.930 4.869 1.00 0.00 H new ATOM 0 HA SER A 114 7.492 8.584 4.655 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.569 7.424 6.694 1.00 0.00 H new ATOM 0 HB3 SER A 114 10.110 7.787 5.942 1.00 0.00 H new ATOM 0 HG SER A 114 8.406 9.477 7.194 1.00 0.00 H new ATOM 1762 N LYS A 115 10.493 7.941 3.317 1.00 0.00 N ATOM 1763 CA LYS A 115 11.502 8.408 2.360 1.00 0.00 C ATOM 1764 C LYS A 115 10.966 8.439 0.934 1.00 0.00 C ATOM 1765 O LYS A 115 10.918 7.382 0.292 1.00 0.00 O ATOM 1766 CB LYS A 115 12.745 7.502 2.435 1.00 0.00 C ATOM 1767 CG LYS A 115 13.928 8.102 1.645 1.00 0.00 C ATOM 1768 CD LYS A 115 14.557 9.316 2.351 1.00 0.00 C ATOM 1769 CE LYS A 115 15.218 8.888 3.672 1.00 0.00 C ATOM 1770 NZ LYS A 115 16.018 9.990 4.257 1.00 0.00 N ATOM 0 H LYS A 115 10.752 7.069 3.778 1.00 0.00 H new ATOM 0 HA LYS A 115 11.770 9.429 2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.034 7.364 3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 115 12.503 6.516 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 115 14.690 7.336 1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.584 8.400 0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.298 9.779 1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.792 10.067 2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.451 8.577 4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.859 8.024 3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.451 9.670 5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.765 10.269 3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.400 10.805 4.446 1.00 0.00 H new ATOM 1784 N VAL A 116 10.630 9.614 0.417 1.00 0.00 N ATOM 1785 CA VAL A 116 10.037 9.756 -0.920 1.00 0.00 C ATOM 1786 C VAL A 116 10.509 11.060 -1.520 1.00 0.00 C ATOM 1787 O VAL A 116 10.120 12.095 -1.040 1.00 0.00 O ATOM 1788 CB VAL A 116 8.487 9.693 -0.887 1.00 0.00 C ATOM 1789 CG1 VAL A 116 8.018 8.251 -0.627 1.00 0.00 C ATOM 1790 CG2 VAL A 116 7.822 10.594 0.166 1.00 0.00 C ATOM 0 H VAL A 116 10.758 10.499 0.907 1.00 0.00 H new ATOM 0 HA VAL A 116 10.364 8.918 -1.536 1.00 0.00 H new ATOM 0 HB VAL A 116 8.179 10.058 -1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 116 6.929 8.221 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.384 7.601 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.409 7.909 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.739 10.480 0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.167 10.308 1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.088 11.634 -0.025 1.00 0.00 H new ATOM 1800 N ASP A 117 11.403 11.037 -2.499 1.00 0.00 N ATOM 1801 CA ASP A 117 11.872 12.288 -3.134 1.00 0.00 C ATOM 1802 C ASP A 117 11.337 12.395 -4.564 1.00 0.00 C ATOM 1803 O ASP A 117 10.405 13.130 -4.878 1.00 0.00 O ATOM 1804 CB ASP A 117 13.400 12.336 -3.042 1.00 0.00 C ATOM 1805 CG ASP A 117 13.918 13.760 -3.035 1.00 0.00 C ATOM 1806 OD1 ASP A 117 13.585 14.479 -4.001 1.00 0.00 O ATOM 1807 OD2 ASP A 117 14.750 14.008 -2.138 1.00 0.00 O ATOM 0 H ASP A 117 11.820 10.186 -2.875 1.00 0.00 H new ATOM 0 HA ASP A 117 11.483 13.162 -2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.726 11.826 -2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.832 11.796 -3.884 1.00 0.00 H new ATOM 1812 N LYS A 118 11.859 11.516 -5.420 1.00 0.00 N ATOM 1813 CA LYS A 118 11.500 11.404 -6.832 1.00 0.00 C ATOM 1814 C LYS A 118 11.080 9.993 -7.189 1.00 0.00 C ATOM 1815 O LYS A 118 10.227 9.759 -8.050 1.00 0.00 O ATOM 1816 CB LYS A 118 12.685 11.929 -7.673 1.00 0.00 C ATOM 1817 CG LYS A 118 12.562 11.543 -9.165 1.00 0.00 C ATOM 1818 CD LYS A 118 13.317 10.229 -9.478 1.00 0.00 C ATOM 1819 CE LYS A 118 12.960 9.676 -10.852 1.00 0.00 C ATOM 1820 NZ LYS A 118 11.588 9.096 -10.868 1.00 0.00 N ATOM 0 H LYS A 118 12.568 10.839 -5.138 1.00 0.00 H new ATOM 0 HA LYS A 118 10.626 12.016 -7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 118 12.738 13.014 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 118 13.617 11.530 -7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 118 11.510 11.430 -9.426 1.00 0.00 H new ATOM 0 HG3 LYS A 118 12.959 12.348 -9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 118 14.391 10.408 -9.428 1.00 0.00 H new ATOM 0 HD3 LYS A 118 13.081 9.486 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 118 13.029 10.471 -11.594 1.00 0.00 H new ATOM 0 HE3 LYS A 118 13.683 8.911 -11.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 11.648 8.065 -10.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.109 9.312 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.047 9.506 -11.656 1.00 0.00 H new ATOM 1834 N ASN A 119 11.857 9.026 -6.703 1.00 0.00 N ATOM 1835 CA ASN A 119 11.648 7.626 -7.074 1.00 0.00 C ATOM 1836 C ASN A 119 10.590 7.013 -6.194 1.00 0.00 C ATOM 1837 O ASN A 119 9.857 6.156 -6.661 1.00 0.00 O ATOM 1838 CB ASN A 119 12.934 6.815 -6.916 1.00 0.00 C ATOM 1839 CG ASN A 119 13.829 6.888 -8.135 1.00 0.00 C ATOM 1840 OD1 ASN A 119 13.382 6.938 -9.271 1.00 0.00 O ATOM 1841 ND2 ASN A 119 15.117 6.961 -7.910 1.00 0.00 N ATOM 0 H ASN A 119 12.631 9.183 -6.057 1.00 0.00 H new ATOM 0 HA ASN A 119 11.335 7.605 -8.118 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.482 7.178 -6.047 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.679 5.773 -6.720 1.00 0.00 H new ATOM 0 HD21 ASN A 119 15.766 7.061 -8.690 1.00 0.00 H new ATOM 0 HD22 ASN A 119 15.471 6.917 -6.954 1.00 0.00 H new ATOM 1848 N ASN A 120 10.537 7.451 -4.931 1.00 0.00 N ATOM 1849 CA ASN A 120 9.500 7.074 -3.984 1.00 0.00 C ATOM 1850 C ASN A 120 9.744 5.620 -3.543 1.00 0.00 C ATOM 1851 O ASN A 120 8.835 4.809 -3.429 1.00 0.00 O ATOM 1852 CB ASN A 120 8.097 7.344 -4.578 1.00 0.00 C ATOM 1853 CG ASN A 120 7.915 8.629 -5.354 1.00 0.00 C ATOM 1854 OD1 ASN A 120 8.666 9.581 -5.279 1.00 0.00 O ATOM 1855 ND2 ASN A 120 6.889 8.676 -6.155 1.00 0.00 N ATOM 0 H ASN A 120 11.230 8.089 -4.538 1.00 0.00 H new ATOM 0 HA ASN A 120 9.542 7.688 -3.084 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.842 6.513 -5.235 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.376 7.337 -3.760 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.718 9.510 -6.717 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.256 7.879 -6.221 1.00 0.00 H new ATOM 1862 N GLN A 121 11.014 5.256 -3.364 1.00 0.00 N ATOM 1863 CA GLN A 121 11.371 3.886 -3.012 1.00 0.00 C ATOM 1864 C GLN A 121 10.843 3.567 -1.633 1.00 0.00 C ATOM 1865 O GLN A 121 9.923 2.763 -1.528 1.00 0.00 O ATOM 1866 CB GLN A 121 12.881 3.710 -3.032 1.00 0.00 C ATOM 1867 CG GLN A 121 13.366 3.442 -4.457 1.00 0.00 C ATOM 1868 CD GLN A 121 14.879 3.320 -4.463 1.00 0.00 C ATOM 1869 OE1 GLN A 121 15.453 2.355 -4.907 1.00 0.00 O ATOM 1870 NE2 GLN A 121 15.593 4.301 -3.965 1.00 0.00 N ATOM 0 H GLN A 121 11.808 5.889 -3.457 1.00 0.00 H new ATOM 0 HA GLN A 121 10.929 3.208 -3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 121 13.363 4.605 -2.639 1.00 0.00 H new ATOM 0 HB3 GLN A 121 13.166 2.883 -2.382 1.00 0.00 H new ATOM 0 HG2 GLN A 121 12.915 2.526 -4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 121 13.053 4.251 -5.117 1.00 0.00 H new ATOM 0 HE21 GLN A 121 15.130 5.126 -3.584 1.00 0.00 H new ATOM 0 HE22 GLN A 121 16.611 4.239 -3.958 1.00 0.00 H new ATOM 1879 N GLY A 122 11.392 4.223 -0.601 1.00 0.00 N ATOM 1880 CA GLY A 122 11.031 4.005 0.786 1.00 0.00 C ATOM 1881 C GLY A 122 11.955 3.041 1.488 1.00 0.00 C ATOM 1882 O GLY A 122 12.035 1.881 1.106 1.00 0.00 O ATOM 0 H GLY A 122 12.114 4.933 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 122 11.041 4.959 1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 122 10.011 3.624 0.835 1.00 0.00 H new ATOM 1886 N LYS A 123 12.636 3.554 2.506 1.00 0.00 N ATOM 1887 CA LYS A 123 13.581 2.800 3.338 1.00 0.00 C ATOM 1888 C LYS A 123 13.258 2.860 4.822 1.00 0.00 C ATOM 1889 O LYS A 123 13.439 1.868 5.515 1.00 0.00 O ATOM 1890 CB LYS A 123 15.014 3.284 3.083 1.00 0.00 C ATOM 1891 CG LYS A 123 15.154 4.820 3.168 1.00 0.00 C ATOM 1892 CD LYS A 123 16.604 5.263 3.354 1.00 0.00 C ATOM 1893 CE LYS A 123 17.302 5.377 1.994 1.00 0.00 C ATOM 1894 NZ LYS A 123 18.517 6.227 2.099 1.00 0.00 N ATOM 0 H LYS A 123 12.548 4.531 2.787 1.00 0.00 H new ATOM 0 HA LYS A 123 13.487 1.754 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 123 15.683 2.823 3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 123 15.335 2.949 2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 123 14.753 5.269 2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.554 5.191 3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 123 16.635 6.223 3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 123 17.133 4.547 3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 123 17.576 4.385 1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 123 16.616 5.803 1.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 18.976 6.293 1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 18.248 7.179 2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 19.178 5.805 2.782 1.00 0.00 H new ATOM 1908 N GLU A 124 12.869 4.042 5.305 1.00 0.00 N ATOM 1909 CA GLU A 124 12.468 4.245 6.695 1.00 0.00 C ATOM 1910 C GLU A 124 11.250 3.389 6.984 1.00 0.00 C ATOM 1911 O GLU A 124 10.587 2.946 6.038 1.00 0.00 O ATOM 1912 CB GLU A 124 12.149 5.733 6.940 1.00 0.00 C ATOM 1913 CG GLU A 124 13.440 6.529 7.190 1.00 0.00 C ATOM 1914 CD GLU A 124 13.259 8.032 6.930 1.00 0.00 C ATOM 1915 OE1 GLU A 124 12.774 8.361 5.822 1.00 0.00 O ATOM 1916 OE2 GLU A 124 13.828 8.848 7.682 1.00 0.00 O ATOM 0 H GLU A 124 12.824 4.889 4.738 1.00 0.00 H new ATOM 0 HA GLU A 124 13.281 3.955 7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.623 6.144 6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.483 5.831 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 124 13.764 6.377 8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 124 14.232 6.144 6.547 1.00 0.00 H new ATOM 1923 N PHE A 125 10.976 3.196 8.280 1.00 0.00 N ATOM 1924 CA PHE A 125 9.820 2.456 8.777 1.00 0.00 C ATOM 1925 C PHE A 125 8.544 2.760 7.969 1.00 0.00 C ATOM 1926 O PHE A 125 8.277 3.872 7.498 1.00 0.00 O ATOM 1927 CB PHE A 125 9.606 2.720 10.281 1.00 0.00 C ATOM 1928 CG PHE A 125 8.652 3.860 10.583 1.00 0.00 C ATOM 1929 CD1 PHE A 125 9.132 5.184 10.624 1.00 0.00 C ATOM 1930 CD2 PHE A 125 7.271 3.590 10.738 1.00 0.00 C ATOM 1931 CE1 PHE A 125 8.227 6.230 10.879 1.00 0.00 C ATOM 1932 CE2 PHE A 125 6.364 4.644 10.960 1.00 0.00 C ATOM 1933 CZ PHE A 125 6.853 5.963 11.056 1.00 0.00 C ATOM 0 H PHE A 125 11.569 3.560 9.026 1.00 0.00 H new ATOM 0 HA PHE A 125 10.032 1.395 8.643 1.00 0.00 H new ATOM 0 HB2 PHE A 125 9.227 1.811 10.748 1.00 0.00 H new ATOM 0 HB3 PHE A 125 10.570 2.936 10.741 1.00 0.00 H new ATOM 0 HD1 PHE A 125 10.179 5.393 10.462 1.00 0.00 H new ATOM 0 HD2 PHE A 125 6.912 2.573 10.686 1.00 0.00 H new ATOM 0 HE1 PHE A 125 8.587 7.246 10.940 1.00 0.00 H new ATOM 0 HE2 PHE A 125 5.307 4.445 11.056 1.00 0.00 H new ATOM 0 HZ PHE A 125 6.171 6.774 11.266 1.00 0.00 H new ATOM 1943 N PHE A 126 7.740 1.723 7.796 1.00 0.00 N ATOM 1944 CA PHE A 126 6.533 1.892 7.021 1.00 0.00 C ATOM 1945 C PHE A 126 5.469 2.669 7.808 1.00 0.00 C ATOM 1946 O PHE A 126 5.140 2.327 8.943 1.00 0.00 O ATOM 1947 CB PHE A 126 6.027 0.516 6.627 1.00 0.00 C ATOM 1948 CG PHE A 126 5.624 0.403 5.183 1.00 0.00 C ATOM 1949 CD1 PHE A 126 4.785 1.373 4.600 1.00 0.00 C ATOM 1950 CD2 PHE A 126 6.091 -0.688 4.423 1.00 0.00 C ATOM 1951 CE1 PHE A 126 4.479 1.250 3.237 1.00 0.00 C ATOM 1952 CE2 PHE A 126 5.705 -0.838 3.082 1.00 0.00 C ATOM 1953 CZ PHE A 126 4.918 0.161 2.483 1.00 0.00 C ATOM 0 H PHE A 126 7.897 0.787 8.170 1.00 0.00 H new ATOM 0 HA PHE A 126 6.749 2.477 6.127 1.00 0.00 H new ATOM 0 HB2 PHE A 126 6.804 -0.219 6.835 1.00 0.00 H new ATOM 0 HB3 PHE A 126 5.172 0.262 7.253 1.00 0.00 H new ATOM 0 HD1 PHE A 126 4.389 2.189 5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 126 6.750 -1.414 4.876 1.00 0.00 H new ATOM 0 HE1 PHE A 126 3.889 2.018 2.759 1.00 0.00 H new ATOM 0 HE2 PHE A 126 6.008 -1.708 2.519 1.00 0.00 H new ATOM 0 HZ PHE A 126 4.653 0.086 1.439 1.00 0.00 H new ATOM 1963 N GLU A 127 4.860 3.673 7.187 1.00 0.00 N ATOM 1964 CA GLU A 127 3.882 4.537 7.828 1.00 0.00 C ATOM 1965 C GLU A 127 2.533 4.338 7.149 1.00 0.00 C ATOM 1966 O GLU A 127 2.367 4.561 5.952 1.00 0.00 O ATOM 1967 CB GLU A 127 4.315 6.007 7.825 1.00 0.00 C ATOM 1968 CG GLU A 127 5.841 6.252 7.902 1.00 0.00 C ATOM 1969 CD GLU A 127 6.213 7.633 8.502 1.00 0.00 C ATOM 1970 OE1 GLU A 127 5.291 8.357 8.952 1.00 0.00 O ATOM 1971 OE2 GLU A 127 7.427 7.936 8.567 1.00 0.00 O ATOM 0 H GLU A 127 5.036 3.911 6.211 1.00 0.00 H new ATOM 0 HA GLU A 127 3.800 4.260 8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.934 6.478 6.919 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.841 6.509 8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.298 5.467 8.505 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.265 6.173 6.901 1.00 0.00 H new ATOM 1978 N LYS A 128 1.552 3.848 7.901 1.00 0.00 N ATOM 1979 CA LYS A 128 0.177 3.766 7.396 1.00 0.00 C ATOM 1980 C LYS A 128 -0.307 5.143 6.910 1.00 0.00 C ATOM 1981 O LYS A 128 -0.085 6.142 7.598 1.00 0.00 O ATOM 1982 CB LYS A 128 -0.742 3.105 8.426 1.00 0.00 C ATOM 1983 CG LYS A 128 -0.717 3.795 9.808 1.00 0.00 C ATOM 1984 CD LYS A 128 -1.818 4.863 9.926 1.00 0.00 C ATOM 1985 CE LYS A 128 -3.166 4.274 10.301 1.00 0.00 C ATOM 1986 NZ LYS A 128 -3.335 4.348 11.758 1.00 0.00 N ATOM 0 H LYS A 128 1.677 3.504 8.853 1.00 0.00 H new ATOM 0 HA LYS A 128 0.149 3.118 6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -1.763 3.109 8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -0.450 2.061 8.545 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -0.848 3.048 10.591 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.257 4.257 9.968 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -1.526 5.599 10.675 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -1.908 5.393 8.978 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -3.967 4.820 9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -3.230 3.238 9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -4.327 4.156 12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -2.723 3.642 12.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -3.075 5.299 12.090 1.00 0.00 H new ATOM 2000 N CYS A 129 -0.936 5.177 5.740 1.00 0.00 N ATOM 2001 CA CYS A 129 -1.669 6.340 5.251 1.00 0.00 C ATOM 2002 C CYS A 129 -2.923 6.636 6.090 1.00 0.00 C ATOM 2003 O CYS A 129 -3.255 5.898 7.028 1.00 0.00 O ATOM 2004 CB CYS A 129 -2.029 6.126 3.775 1.00 0.00 C ATOM 2005 SG CYS A 129 -0.581 6.143 2.690 1.00 0.00 S ATOM 0 H CYS A 129 -0.951 4.387 5.095 1.00 0.00 H new ATOM 0 HA CYS A 129 -1.025 7.214 5.346 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -2.547 5.173 3.667 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -2.723 6.904 3.459 1.00 0.00 H new ATOM 2010 N ASP A 130 -3.607 7.718 5.716 1.00 0.00 N ATOM 2011 CA ASP A 130 -4.824 8.202 6.356 1.00 0.00 C ATOM 2012 C ASP A 130 -5.636 9.100 5.448 1.00 0.00 C ATOM 2013 O ASP A 130 -5.006 9.880 4.688 1.00 0.00 O ATOM 2014 CB ASP A 130 -4.460 8.937 7.640 1.00 0.00 C ATOM 2015 CG ASP A 130 -5.690 9.423 8.432 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -6.210 8.607 9.237 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -5.978 10.638 8.376 1.00 0.00 O ATOM 2018 OXT ASP A 130 -6.856 8.837 5.432 1.00 0.00 O ATOM 0 H ASP A 130 -3.316 8.300 4.931 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.448 7.338 6.584 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -3.866 8.277 8.273 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -3.832 9.794 7.395 1.00 0.00 H new TER 2023 ASP A 130