USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 600 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 Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 180:sc= 0.134 USER MOD Single : A 7 GLN : amide:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 8 MET CE :methyl -114:sc= -1.88 (180deg=-5.27!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= 0.807 (180deg=0.681) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.354 USER MOD Single : A 19 SER OG : rot 67:sc= -0.657 USER MOD Single : A 22 LYS NZ :NH3+ -137:sc= -0.221 (180deg=-1.25) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0201) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 0.937 (180deg=0.935) USER MOD Single : A 40 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.11) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0187 USER MOD Single : A 51 HIS : no HD1:sc= -0.0857 X(o=-0.086,f=-0.32) USER MOD Single : A 52 TYR OH : rot 33:sc= -6.44! USER MOD Single : A 54 ASN : amide:sc= -0.227 K(o=-0.23,f=-2.4!) USER MOD Single : A 55 SER OG : rot 170:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -14.8! C(o=-15!,f=-15!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.173 K(o=-0.17,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 46 N LEU A 4 8.780 4.569 -4.131 1.00 0.00 N ATOM 47 CA LEU A 4 7.624 3.735 -4.413 1.00 0.00 C ATOM 48 C LEU A 4 6.948 3.349 -3.096 1.00 0.00 C ATOM 49 O LEU A 4 5.761 3.026 -3.074 1.00 0.00 O ATOM 50 CB LEU A 4 8.026 2.534 -5.272 1.00 0.00 C ATOM 51 CG LEU A 4 7.289 2.388 -6.605 1.00 0.00 C ATOM 52 CD1 LEU A 4 5.784 2.599 -6.426 1.00 0.00 C ATOM 53 CD2 LEU A 4 7.876 3.325 -7.663 1.00 0.00 C ATOM 0 HA LEU A 4 6.890 4.286 -5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.095 2.599 -5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.867 1.626 -4.690 1.00 0.00 H new ATOM 0 HG LEU A 4 7.432 1.368 -6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.284 2.490 -7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.393 1.858 -5.728 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.601 3.599 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.334 3.201 -8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.785 4.357 -7.325 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.928 3.085 -7.818 1.00 0.00 H new ATOM 65 N SER A 5 7.732 3.395 -2.029 1.00 0.00 N ATOM 66 CA SER A 5 7.223 3.054 -0.710 1.00 0.00 C ATOM 67 C SER A 5 6.038 3.954 -0.358 1.00 0.00 C ATOM 68 O SER A 5 5.099 3.518 0.306 1.00 0.00 O ATOM 69 CB SER A 5 8.318 3.178 0.351 1.00 0.00 C ATOM 70 OG SER A 5 8.367 2.036 1.203 1.00 0.00 O ATOM 0 H SER A 5 8.716 3.663 -2.050 1.00 0.00 H new ATOM 0 HA SER A 5 6.889 2.017 -0.729 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.284 3.307 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.142 4.071 0.951 1.00 0.00 H new ATOM 0 HG SER A 5 9.080 2.153 1.866 1.00 0.00 H new ATOM 76 N CYS A 6 6.121 5.194 -0.818 1.00 0.00 N ATOM 77 CA CYS A 6 5.066 6.160 -0.559 1.00 0.00 C ATOM 78 C CYS A 6 3.873 5.820 -1.455 1.00 0.00 C ATOM 79 O CYS A 6 2.819 5.417 -0.964 1.00 0.00 O ATOM 80 CB CYS A 6 5.548 7.596 -0.774 1.00 0.00 C ATOM 81 SG CYS A 6 7.360 7.822 -0.654 1.00 0.00 S ATOM 0 H CYS A 6 6.902 5.552 -1.368 1.00 0.00 H new ATOM 0 HA CYS A 6 4.764 6.100 0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.218 7.932 -1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.066 8.240 -0.039 1.00 0.00 H new ATOM 0 HG CYS A 6 7.656 9.072 -0.854 1.00 0.00 H new ATOM 86 N GLN A 7 4.078 5.994 -2.752 1.00 0.00 N ATOM 87 CA GLN A 7 3.033 5.710 -3.719 1.00 0.00 C ATOM 88 C GLN A 7 2.270 4.444 -3.322 1.00 0.00 C ATOM 89 O GLN A 7 1.054 4.478 -3.146 1.00 0.00 O ATOM 90 CB GLN A 7 3.611 5.582 -5.131 1.00 0.00 C ATOM 91 CG GLN A 7 2.513 5.711 -6.188 1.00 0.00 C ATOM 92 CD GLN A 7 2.600 7.058 -6.908 1.00 0.00 C ATOM 93 OE1 GLN A 7 3.042 7.158 -8.040 1.00 0.00 O ATOM 94 NE2 GLN A 7 2.154 8.085 -6.189 1.00 0.00 N ATOM 0 H GLN A 7 4.953 6.328 -3.156 1.00 0.00 H new ATOM 0 HA GLN A 7 2.333 6.546 -3.723 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.366 6.352 -5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 7 4.111 4.619 -5.237 1.00 0.00 H new ATOM 0 HG2 GLN A 7 2.603 4.901 -6.912 1.00 0.00 H new ATOM 0 HG3 GLN A 7 1.536 5.609 -5.716 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.797 7.931 -5.246 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.169 9.027 -6.581 1.00 0.00 H new ATOM 103 N MET A 8 3.018 3.358 -3.194 1.00 0.00 N ATOM 104 CA MET A 8 2.428 2.084 -2.820 1.00 0.00 C ATOM 105 C MET A 8 1.563 2.226 -1.567 1.00 0.00 C ATOM 106 O MET A 8 0.500 1.614 -1.469 1.00 0.00 O ATOM 107 CB MET A 8 3.538 1.063 -2.561 1.00 0.00 C ATOM 108 CG MET A 8 4.066 0.481 -3.875 1.00 0.00 C ATOM 109 SD MET A 8 5.011 -0.997 -3.551 1.00 0.00 S ATOM 110 CE MET A 8 6.143 -0.950 -4.931 1.00 0.00 C ATOM 0 H MET A 8 4.027 3.334 -3.343 1.00 0.00 H new ATOM 0 HA MET A 8 1.794 1.745 -3.639 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.354 1.538 -2.016 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.158 0.260 -1.930 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.234 0.252 -4.541 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.689 1.217 -4.384 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.946 -1.794 -5.592 1.00 0.00 H new ATOM 0 HE2 MET A 8 6.008 -0.019 -5.481 1.00 0.00 H new ATOM 0 HE3 MET A 8 7.167 -1.009 -4.563 1.00 0.00 H new ATOM 120 N CYS A 9 2.050 3.037 -0.640 1.00 0.00 N ATOM 121 CA CYS A 9 1.335 3.267 0.604 1.00 0.00 C ATOM 122 C CYS A 9 0.034 4.006 0.280 1.00 0.00 C ATOM 123 O CYS A 9 -0.998 3.753 0.899 1.00 0.00 O ATOM 124 CB CYS A 9 2.189 4.035 1.615 1.00 0.00 C ATOM 125 SG CYS A 9 1.245 5.086 2.778 1.00 0.00 S ATOM 0 H CYS A 9 2.931 3.543 -0.725 1.00 0.00 H new ATOM 0 HA CYS A 9 1.103 2.311 1.075 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.777 3.320 2.190 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.894 4.663 1.071 1.00 0.00 H new ATOM 130 N GLU A 10 0.127 4.904 -0.690 1.00 0.00 N ATOM 131 CA GLU A 10 -1.030 5.680 -1.103 1.00 0.00 C ATOM 132 C GLU A 10 -1.988 4.811 -1.919 1.00 0.00 C ATOM 133 O GLU A 10 -3.073 5.257 -2.291 1.00 0.00 O ATOM 134 CB GLU A 10 -0.605 6.919 -1.893 1.00 0.00 C ATOM 135 CG GLU A 10 -0.741 8.185 -1.045 1.00 0.00 C ATOM 136 CD GLU A 10 -0.102 9.385 -1.745 1.00 0.00 C ATOM 137 OE1 GLU A 10 -0.699 9.847 -2.740 1.00 0.00 O ATOM 138 OE2 GLU A 10 0.971 9.816 -1.267 1.00 0.00 O ATOM 0 H GLU A 10 0.985 5.111 -1.201 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.552 6.021 -0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.428 6.807 -2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.218 7.010 -2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.795 8.389 -0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.267 8.030 -0.076 1.00 0.00 H new ATOM 146 N LEU A 11 -1.553 3.586 -2.175 1.00 0.00 N ATOM 147 CA LEU A 11 -2.359 2.650 -2.942 1.00 0.00 C ATOM 148 C LEU A 11 -3.195 1.800 -1.983 1.00 0.00 C ATOM 149 O LEU A 11 -4.400 1.642 -2.177 1.00 0.00 O ATOM 150 CB LEU A 11 -1.476 1.828 -3.882 1.00 0.00 C ATOM 151 CG LEU A 11 -2.170 0.685 -4.625 1.00 0.00 C ATOM 152 CD1 LEU A 11 -3.305 1.211 -5.505 1.00 0.00 C ATOM 153 CD2 LEU A 11 -1.161 -0.143 -5.424 1.00 0.00 C ATOM 0 H LEU A 11 -0.653 3.220 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.057 3.186 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.039 2.501 -4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.652 1.411 -3.303 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.618 0.021 -3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.781 0.378 -6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.041 1.721 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.903 1.910 -6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.681 -0.949 -5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.663 0.496 -6.153 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.420 -0.567 -4.746 1.00 0.00 H new ATOM 165 N VAL A 12 -2.523 1.274 -0.969 1.00 0.00 N ATOM 166 CA VAL A 12 -3.189 0.444 0.020 1.00 0.00 C ATOM 167 C VAL A 12 -4.221 1.285 0.774 1.00 0.00 C ATOM 168 O VAL A 12 -5.347 0.843 0.990 1.00 0.00 O ATOM 169 CB VAL A 12 -2.153 -0.201 0.943 1.00 0.00 C ATOM 170 CG1 VAL A 12 -1.092 -0.952 0.137 1.00 0.00 C ATOM 171 CG2 VAL A 12 -1.509 0.841 1.859 1.00 0.00 C ATOM 0 H VAL A 12 -1.524 1.407 -0.811 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.726 -0.371 -0.464 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.671 -0.925 1.572 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.368 -1.401 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.569 -1.735 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.581 -0.257 -0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.777 0.355 2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.013 1.600 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.278 1.311 2.472 1.00 0.00 H new ATOM 181 N VAL A 13 -3.797 2.482 1.154 1.00 0.00 N ATOM 182 CA VAL A 13 -4.670 3.389 1.880 1.00 0.00 C ATOM 183 C VAL A 13 -5.848 3.779 0.986 1.00 0.00 C ATOM 184 O VAL A 13 -7.005 3.553 1.342 1.00 0.00 O ATOM 185 CB VAL A 13 -3.873 4.595 2.380 1.00 0.00 C ATOM 186 CG1 VAL A 13 -2.763 4.160 3.339 1.00 0.00 C ATOM 187 CG2 VAL A 13 -3.302 5.397 1.209 1.00 0.00 C ATOM 0 H VAL A 13 -2.861 2.844 0.973 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.080 2.900 2.763 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.555 5.243 2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.212 5.037 3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.202 3.652 4.197 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.083 3.481 2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.740 6.249 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.641 4.761 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.118 5.753 0.580 1.00 0.00 H new ATOM 197 N LYS A 14 -5.516 4.359 -0.158 1.00 0.00 N ATOM 198 CA LYS A 14 -6.533 4.782 -1.105 1.00 0.00 C ATOM 199 C LYS A 14 -7.589 3.683 -1.240 1.00 0.00 C ATOM 200 O LYS A 14 -8.764 3.971 -1.462 1.00 0.00 O ATOM 201 CB LYS A 14 -5.892 5.185 -2.435 1.00 0.00 C ATOM 202 CG LYS A 14 -6.954 5.625 -3.445 1.00 0.00 C ATOM 203 CD LYS A 14 -6.460 6.809 -4.278 1.00 0.00 C ATOM 204 CE LYS A 14 -5.683 6.330 -5.506 1.00 0.00 C ATOM 205 NZ LYS A 14 -6.027 7.150 -6.689 1.00 0.00 N ATOM 0 H LYS A 14 -4.557 4.546 -0.450 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.045 5.673 -0.741 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.184 5.997 -2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.326 4.346 -2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.203 4.792 -4.102 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.868 5.901 -2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.309 7.415 -4.594 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.823 7.448 -3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.612 6.391 -5.313 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.912 5.283 -5.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.491 6.812 -7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.046 7.071 -6.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.786 8.145 -6.504 1.00 0.00 H new ATOM 219 N LYS A 15 -7.132 2.448 -1.098 1.00 0.00 N ATOM 220 CA LYS A 15 -8.022 1.305 -1.202 1.00 0.00 C ATOM 221 C LYS A 15 -8.752 1.111 0.129 1.00 0.00 C ATOM 222 O LYS A 15 -9.942 0.799 0.149 1.00 0.00 O ATOM 223 CB LYS A 15 -7.254 0.067 -1.667 1.00 0.00 C ATOM 224 CG LYS A 15 -6.800 0.218 -3.121 1.00 0.00 C ATOM 225 CD LYS A 15 -7.999 0.235 -4.071 1.00 0.00 C ATOM 226 CE LYS A 15 -7.543 0.239 -5.531 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.612 -0.287 -6.410 1.00 0.00 N ATOM 0 H LYS A 15 -6.157 2.214 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.783 1.483 -1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.387 -0.090 -1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.886 -0.816 -1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.229 1.140 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.134 -0.604 -3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.627 -0.636 -3.885 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.610 1.116 -3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.281 1.253 -5.834 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.644 -0.368 -5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.452 0.039 -7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.601 -1.327 -6.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.535 0.057 -6.077 1.00 0.00 H new ATOM 241 N TYR A 16 -8.009 1.304 1.209 1.00 0.00 N ATOM 242 CA TYR A 16 -8.571 1.155 2.540 1.00 0.00 C ATOM 243 C TYR A 16 -9.514 2.313 2.871 1.00 0.00 C ATOM 244 O TYR A 16 -10.720 2.115 3.014 1.00 0.00 O ATOM 245 CB TYR A 16 -7.384 1.189 3.505 1.00 0.00 C ATOM 246 CG TYR A 16 -7.765 0.959 4.969 1.00 0.00 C ATOM 247 CD1 TYR A 16 -9.070 0.662 5.303 1.00 0.00 C ATOM 248 CD2 TYR A 16 -6.803 1.048 5.954 1.00 0.00 C ATOM 249 CE1 TYR A 16 -9.429 0.444 6.681 1.00 0.00 C ATOM 250 CE2 TYR A 16 -7.161 0.830 7.332 1.00 0.00 C ATOM 251 CZ TYR A 16 -8.456 0.540 7.627 1.00 0.00 C ATOM 252 OH TYR A 16 -8.794 0.335 8.929 1.00 0.00 O ATOM 0 H TYR A 16 -7.022 1.562 1.189 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.144 0.230 2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.663 0.429 3.204 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.885 2.154 3.417 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.823 0.593 4.531 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.782 1.281 5.692 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.447 0.210 6.957 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.418 0.895 8.113 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.544 -0.294 8.977 1.00 0.00 H new ATOM 262 N GLU A 17 -8.930 3.497 2.980 1.00 0.00 N ATOM 263 CA GLU A 17 -9.704 4.688 3.291 1.00 0.00 C ATOM 264 C GLU A 17 -10.963 4.743 2.424 1.00 0.00 C ATOM 265 O GLU A 17 -12.026 5.148 2.892 1.00 0.00 O ATOM 266 CB GLU A 17 -8.860 5.952 3.116 1.00 0.00 C ATOM 267 CG GLU A 17 -7.789 6.051 4.202 1.00 0.00 C ATOM 268 CD GLU A 17 -8.423 6.129 5.593 1.00 0.00 C ATOM 269 OE1 GLU A 17 -8.865 7.242 5.953 1.00 0.00 O ATOM 270 OE2 GLU A 17 -8.453 5.075 6.262 1.00 0.00 O ATOM 0 H GLU A 17 -7.930 3.658 2.859 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.009 4.638 4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.387 5.945 2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.503 6.831 3.154 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.129 5.185 4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.172 6.933 4.030 1.00 0.00 H new ATOM 278 N GLY A 18 -10.802 4.332 1.175 1.00 0.00 N ATOM 279 CA GLY A 18 -11.912 4.330 0.238 1.00 0.00 C ATOM 280 C GLY A 18 -12.277 2.903 -0.178 1.00 0.00 C ATOM 281 O GLY A 18 -12.394 2.610 -1.366 1.00 0.00 O ATOM 0 H GLY A 18 -9.919 3.998 0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.777 4.812 0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.649 4.914 -0.644 1.00 0.00 H new ATOM 285 N SER A 19 -12.445 2.054 0.826 1.00 0.00 N ATOM 286 CA SER A 19 -12.794 0.664 0.578 1.00 0.00 C ATOM 287 C SER A 19 -14.275 0.434 0.888 1.00 0.00 C ATOM 288 O SER A 19 -14.974 -0.236 0.130 1.00 0.00 O ATOM 289 CB SER A 19 -11.924 -0.277 1.413 1.00 0.00 C ATOM 290 OG SER A 19 -11.347 -1.312 0.621 1.00 0.00 O ATOM 0 H SER A 19 -12.346 2.301 1.811 1.00 0.00 H new ATOM 0 HA SER A 19 -12.612 0.446 -0.474 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.132 0.295 1.896 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.526 -0.720 2.206 1.00 0.00 H new ATOM 0 HG SER A 19 -10.706 -0.922 -0.010 1.00 0.00 H new ATOM 296 N ALA A 20 -14.708 1.001 2.005 1.00 0.00 N ATOM 297 CA ALA A 20 -16.093 0.866 2.423 1.00 0.00 C ATOM 298 C ALA A 20 -16.376 -0.598 2.767 1.00 0.00 C ATOM 299 O ALA A 20 -17.528 -0.982 2.963 1.00 0.00 O ATOM 300 CB ALA A 20 -17.014 1.396 1.322 1.00 0.00 C ATOM 0 H ALA A 20 -14.125 1.554 2.633 1.00 0.00 H new ATOM 0 HA ALA A 20 -16.283 1.458 3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -18.053 1.294 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.792 2.447 1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -16.854 0.825 0.408 1.00 0.00 H new ATOM 306 N ASP A 21 -15.305 -1.375 2.830 1.00 0.00 N ATOM 307 CA ASP A 21 -15.425 -2.788 3.147 1.00 0.00 C ATOM 308 C ASP A 21 -14.639 -3.088 4.426 1.00 0.00 C ATOM 309 O ASP A 21 -14.757 -4.175 4.990 1.00 0.00 O ATOM 310 CB ASP A 21 -14.848 -3.655 2.025 1.00 0.00 C ATOM 311 CG ASP A 21 -15.694 -4.874 1.651 1.00 0.00 C ATOM 312 OD1 ASP A 21 -16.550 -5.247 2.481 1.00 0.00 O ATOM 313 OD2 ASP A 21 -15.466 -5.403 0.541 1.00 0.00 O ATOM 0 H ASP A 21 -14.351 -1.053 2.667 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.483 -3.017 3.273 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.718 -3.036 1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.857 -3.997 2.323 1.00 0.00 H new ATOM 319 N LYS A 22 -13.856 -2.105 4.845 1.00 0.00 N ATOM 320 CA LYS A 22 -13.053 -2.250 6.047 1.00 0.00 C ATOM 321 C LYS A 22 -12.420 -3.643 6.067 1.00 0.00 C ATOM 322 O LYS A 22 -12.387 -4.299 7.108 1.00 0.00 O ATOM 323 CB LYS A 22 -13.886 -1.934 7.290 1.00 0.00 C ATOM 324 CG LYS A 22 -14.038 -0.424 7.482 1.00 0.00 C ATOM 325 CD LYS A 22 -14.220 0.283 6.137 1.00 0.00 C ATOM 326 CE LYS A 22 -14.604 1.750 6.336 1.00 0.00 C ATOM 327 NZ LYS A 22 -14.401 2.514 5.086 1.00 0.00 N ATOM 0 H LYS A 22 -13.761 -1.205 4.374 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.236 -1.528 6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.870 -2.393 7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.412 -2.370 8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.895 -0.220 8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.158 -0.028 7.989 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.297 0.220 5.561 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.992 -0.223 5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.647 1.820 6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.003 2.184 7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.956 3.428 5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.785 1.974 4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.319 2.678 4.627 1.00 0.00 H new ATOM 341 N ASP A 23 -11.933 -4.054 4.906 1.00 0.00 N ATOM 342 CA ASP A 23 -11.302 -5.356 4.777 1.00 0.00 C ATOM 343 C ASP A 23 -9.869 -5.178 4.274 1.00 0.00 C ATOM 344 O ASP A 23 -9.654 -4.710 3.156 1.00 0.00 O ATOM 345 CB ASP A 23 -12.051 -6.233 3.772 1.00 0.00 C ATOM 346 CG ASP A 23 -12.311 -7.669 4.232 1.00 0.00 C ATOM 347 OD1 ASP A 23 -12.314 -7.878 5.465 1.00 0.00 O ATOM 348 OD2 ASP A 23 -12.501 -8.525 3.342 1.00 0.00 O ATOM 0 H ASP A 23 -11.963 -3.508 4.045 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.316 -5.835 5.756 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.007 -5.762 3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.481 -6.263 2.843 1.00 0.00 H new ATOM 354 N ALA A 24 -8.926 -5.560 5.122 1.00 0.00 N ATOM 355 CA ALA A 24 -7.519 -5.447 4.777 1.00 0.00 C ATOM 356 C ALA A 24 -7.163 -6.523 3.749 1.00 0.00 C ATOM 357 O ALA A 24 -6.032 -6.577 3.268 1.00 0.00 O ATOM 358 CB ALA A 24 -6.671 -5.551 6.047 1.00 0.00 C ATOM 0 H ALA A 24 -9.108 -5.948 6.047 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.311 -4.477 4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.616 -5.466 5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.942 -4.748 6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.851 -6.513 6.527 1.00 0.00 H new ATOM 364 N ASN A 25 -8.149 -7.353 3.443 1.00 0.00 N ATOM 365 CA ASN A 25 -7.954 -8.425 2.481 1.00 0.00 C ATOM 366 C ASN A 25 -8.272 -7.908 1.077 1.00 0.00 C ATOM 367 O ASN A 25 -7.513 -8.143 0.139 1.00 0.00 O ATOM 368 CB ASN A 25 -8.885 -9.604 2.773 1.00 0.00 C ATOM 369 CG ASN A 25 -8.122 -10.754 3.435 1.00 0.00 C ATOM 370 OD1 ASN A 25 -7.907 -10.780 4.635 1.00 0.00 O ATOM 371 ND2 ASN A 25 -7.728 -11.700 2.587 1.00 0.00 N ATOM 0 H ASN A 25 -9.086 -7.305 3.844 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.918 -8.757 2.552 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.696 -9.279 3.424 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.340 -9.951 1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.212 -12.510 2.930 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.942 -11.615 1.593 1.00 0.00 H new ATOM 378 N VAL A 26 -9.396 -7.213 0.978 1.00 0.00 N ATOM 379 CA VAL A 26 -9.824 -6.661 -0.296 1.00 0.00 C ATOM 380 C VAL A 26 -9.114 -5.326 -0.533 1.00 0.00 C ATOM 381 O VAL A 26 -9.225 -4.743 -1.610 1.00 0.00 O ATOM 382 CB VAL A 26 -11.348 -6.541 -0.329 1.00 0.00 C ATOM 383 CG1 VAL A 26 -11.867 -6.523 -1.768 1.00 0.00 C ATOM 384 CG2 VAL A 26 -12.005 -7.664 0.476 1.00 0.00 C ATOM 0 H VAL A 26 -10.023 -7.020 1.759 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.546 -7.327 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.618 -5.593 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.954 -6.437 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.439 -5.673 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.579 -7.447 -2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.089 -7.555 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.722 -8.628 0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.673 -7.611 1.513 1.00 0.00 H new ATOM 394 N ILE A 27 -8.399 -4.883 0.490 1.00 0.00 N ATOM 395 CA ILE A 27 -7.671 -3.628 0.407 1.00 0.00 C ATOM 396 C ILE A 27 -6.257 -3.898 -0.112 1.00 0.00 C ATOM 397 O ILE A 27 -5.821 -3.283 -1.083 1.00 0.00 O ATOM 398 CB ILE A 27 -7.704 -2.900 1.752 1.00 0.00 C ATOM 399 CG1 ILE A 27 -9.087 -2.301 2.017 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.599 -1.844 1.831 1.00 0.00 C ATOM 401 CD1 ILE A 27 -9.231 -1.882 3.481 1.00 0.00 C ATOM 0 H ILE A 27 -8.308 -5.371 1.381 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.150 -2.956 -0.305 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.511 -3.629 2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.243 -1.437 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.857 -3.030 1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.645 -1.341 2.797 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.627 -2.325 1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.737 -1.113 1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.223 -1.459 3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.098 -2.753 4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.475 -1.135 3.722 1.00 0.00 H new ATOM 413 N LYS A 28 -5.580 -4.818 0.560 1.00 0.00 N ATOM 414 CA LYS A 28 -4.225 -5.177 0.179 1.00 0.00 C ATOM 415 C LYS A 28 -4.241 -5.807 -1.215 1.00 0.00 C ATOM 416 O LYS A 28 -3.294 -5.647 -1.984 1.00 0.00 O ATOM 417 CB LYS A 28 -3.585 -6.065 1.248 1.00 0.00 C ATOM 418 CG LYS A 28 -3.944 -7.535 1.026 1.00 0.00 C ATOM 419 CD LYS A 28 -2.840 -8.456 1.550 1.00 0.00 C ATOM 420 CE LYS A 28 -2.896 -8.564 3.076 1.00 0.00 C ATOM 421 NZ LYS A 28 -3.967 -9.496 3.490 1.00 0.00 N ATOM 0 H LYS A 28 -5.945 -5.325 1.366 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.598 -4.287 0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.502 -5.944 1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.921 -5.750 2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.883 -7.764 1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.101 -7.718 -0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.947 -9.446 1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.866 -8.073 1.244 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.936 -8.911 3.457 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.074 -7.580 3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.926 -9.636 4.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.892 -9.098 3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.837 -10.410 3.011 1.00 0.00 H new ATOM 435 N LYS A 29 -5.327 -6.510 -1.499 1.00 0.00 N ATOM 436 CA LYS A 29 -5.479 -7.164 -2.787 1.00 0.00 C ATOM 437 C LYS A 29 -5.664 -6.105 -3.874 1.00 0.00 C ATOM 438 O LYS A 29 -4.961 -6.117 -4.884 1.00 0.00 O ATOM 439 CB LYS A 29 -6.608 -8.195 -2.734 1.00 0.00 C ATOM 440 CG LYS A 29 -6.122 -9.512 -2.127 1.00 0.00 C ATOM 441 CD LYS A 29 -7.301 -10.408 -1.741 1.00 0.00 C ATOM 442 CE LYS A 29 -8.370 -10.408 -2.836 1.00 0.00 C ATOM 443 NZ LYS A 29 -7.890 -11.140 -4.029 1.00 0.00 N ATOM 0 H LYS A 29 -6.110 -6.641 -0.859 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.578 -7.724 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.436 -7.802 -2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.990 -8.373 -3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.484 -10.032 -2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.513 -9.308 -1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.949 -11.426 -1.571 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.735 -10.060 -0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.283 -10.871 -2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.621 -9.383 -3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.627 -11.130 -4.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.031 -10.682 -4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.673 -12.123 -3.769 1.00 0.00 H new ATOM 457 N ASP A 30 -6.614 -5.213 -3.632 1.00 0.00 N ATOM 458 CA ASP A 30 -6.900 -4.149 -4.579 1.00 0.00 C ATOM 459 C ASP A 30 -5.591 -3.466 -4.982 1.00 0.00 C ATOM 460 O ASP A 30 -5.327 -3.276 -6.168 1.00 0.00 O ATOM 461 CB ASP A 30 -7.813 -3.090 -3.957 1.00 0.00 C ATOM 462 CG ASP A 30 -9.190 -2.960 -4.610 1.00 0.00 C ATOM 463 OD1 ASP A 30 -9.217 -2.636 -5.817 1.00 0.00 O ATOM 464 OD2 ASP A 30 -10.185 -3.186 -3.888 1.00 0.00 O ATOM 0 H ASP A 30 -7.195 -5.206 -2.794 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.395 -4.590 -5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.949 -3.324 -2.901 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.311 -2.124 -4.008 1.00 0.00 H new ATOM 470 N PHE A 31 -4.807 -3.117 -3.973 1.00 0.00 N ATOM 471 CA PHE A 31 -3.534 -2.459 -4.208 1.00 0.00 C ATOM 472 C PHE A 31 -2.736 -3.183 -5.295 1.00 0.00 C ATOM 473 O PHE A 31 -2.334 -2.571 -6.285 1.00 0.00 O ATOM 474 CB PHE A 31 -2.751 -2.518 -2.895 1.00 0.00 C ATOM 475 CG PHE A 31 -1.241 -2.330 -3.061 1.00 0.00 C ATOM 476 CD1 PHE A 31 -0.469 -3.367 -3.482 1.00 0.00 C ATOM 477 CD2 PHE A 31 -0.672 -1.125 -2.787 1.00 0.00 C ATOM 478 CE1 PHE A 31 0.932 -3.194 -3.636 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.729 -0.952 -2.941 1.00 0.00 C ATOM 480 CZ PHE A 31 1.502 -1.989 -3.362 1.00 0.00 C ATOM 0 H PHE A 31 -5.029 -3.278 -2.991 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.700 -1.433 -4.537 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.131 -1.749 -2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.937 -3.480 -2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.922 -4.323 -3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.285 -0.301 -2.453 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.545 -4.018 -3.970 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.181 0.004 -2.724 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.567 -1.856 -3.479 1.00 0.00 H new ATOM 490 N ASP A 32 -2.532 -4.473 -5.076 1.00 0.00 N ATOM 491 CA ASP A 32 -1.789 -5.285 -6.025 1.00 0.00 C ATOM 492 C ASP A 32 -2.443 -5.176 -7.404 1.00 0.00 C ATOM 493 O ASP A 32 -1.804 -5.442 -8.421 1.00 0.00 O ATOM 494 CB ASP A 32 -1.797 -6.759 -5.613 1.00 0.00 C ATOM 495 CG ASP A 32 -0.550 -7.550 -6.014 1.00 0.00 C ATOM 496 OD1 ASP A 32 0.468 -6.889 -6.311 1.00 0.00 O ATOM 497 OD2 ASP A 32 -0.645 -8.795 -6.014 1.00 0.00 O ATOM 0 H ASP A 32 -2.868 -4.977 -4.255 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.761 -4.922 -6.048 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.913 -6.817 -4.531 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.671 -7.239 -6.054 1.00 0.00 H new ATOM 503 N ALA A 33 -3.709 -4.785 -7.394 1.00 0.00 N ATOM 504 CA ALA A 33 -4.456 -4.638 -8.631 1.00 0.00 C ATOM 505 C ALA A 33 -3.959 -3.399 -9.378 1.00 0.00 C ATOM 506 O ALA A 33 -3.541 -3.491 -10.531 1.00 0.00 O ATOM 507 CB ALA A 33 -5.952 -4.569 -8.319 1.00 0.00 C ATOM 0 H ALA A 33 -4.236 -4.566 -6.549 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.297 -5.500 -9.279 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.513 -4.459 -9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.261 -5.485 -7.815 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.150 -3.714 -7.672 1.00 0.00 H new ATOM 513 N GLU A 34 -4.021 -2.268 -8.690 1.00 0.00 N ATOM 514 CA GLU A 34 -3.583 -1.012 -9.273 1.00 0.00 C ATOM 515 C GLU A 34 -2.067 -0.860 -9.127 1.00 0.00 C ATOM 516 O GLU A 34 -1.533 0.239 -9.274 1.00 0.00 O ATOM 517 CB GLU A 34 -4.317 0.172 -8.641 1.00 0.00 C ATOM 518 CG GLU A 34 -4.028 1.467 -9.404 1.00 0.00 C ATOM 519 CD GLU A 34 -4.145 1.251 -10.914 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.253 0.870 -11.349 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.124 1.472 -11.600 1.00 0.00 O ATOM 0 H GLU A 34 -4.368 -2.196 -7.734 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.827 -1.022 -10.335 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.390 -0.021 -8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.009 0.282 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.726 2.243 -9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.026 1.821 -9.160 1.00 0.00 H new ATOM 529 N CYS A 35 -1.417 -1.978 -8.840 1.00 0.00 N ATOM 530 CA CYS A 35 0.027 -1.982 -8.673 1.00 0.00 C ATOM 531 C CYS A 35 0.633 -2.879 -9.754 1.00 0.00 C ATOM 532 O CYS A 35 1.649 -2.533 -10.355 1.00 0.00 O ATOM 533 CB CYS A 35 0.432 -2.429 -7.267 1.00 0.00 C ATOM 534 SG CYS A 35 2.122 -1.941 -6.763 1.00 0.00 S ATOM 0 H CYS A 35 -1.863 -2.887 -8.719 1.00 0.00 H new ATOM 0 HA CYS A 35 0.412 -0.968 -8.786 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.279 -2.016 -6.551 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.350 -3.514 -7.208 1.00 0.00 H new ATOM 539 N LYS A 36 -0.016 -4.013 -9.969 1.00 0.00 N ATOM 540 CA LYS A 36 0.446 -4.963 -10.968 1.00 0.00 C ATOM 541 C LYS A 36 0.376 -4.316 -12.352 1.00 0.00 C ATOM 542 O LYS A 36 1.381 -4.234 -13.055 1.00 0.00 O ATOM 543 CB LYS A 36 -0.334 -6.275 -10.862 1.00 0.00 C ATOM 544 CG LYS A 36 0.379 -7.265 -9.939 1.00 0.00 C ATOM 545 CD LYS A 36 0.171 -8.704 -10.412 1.00 0.00 C ATOM 546 CE LYS A 36 1.059 -9.020 -11.618 1.00 0.00 C ATOM 547 NZ LYS A 36 0.236 -9.458 -12.767 1.00 0.00 N ATOM 0 H LYS A 36 -0.859 -4.296 -9.469 1.00 0.00 H new ATOM 0 HA LYS A 36 1.489 -5.225 -10.791 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.336 -6.076 -10.483 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.449 -6.715 -11.853 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.445 -7.038 -9.911 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.003 -7.155 -8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.397 -9.394 -9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.875 -8.856 -10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.637 -8.138 -11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.774 -9.800 -11.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.854 -9.668 -13.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.297 -10.313 -12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.429 -8.701 -13.026 1.00 0.00 H new ATOM 561 N LYS A 37 -0.823 -3.871 -12.701 1.00 0.00 N ATOM 562 CA LYS A 37 -1.038 -3.233 -13.989 1.00 0.00 C ATOM 563 C LYS A 37 -0.321 -1.881 -14.010 1.00 0.00 C ATOM 564 O LYS A 37 0.169 -1.450 -15.053 1.00 0.00 O ATOM 565 CB LYS A 37 -2.533 -3.141 -14.298 1.00 0.00 C ATOM 566 CG LYS A 37 -3.249 -2.251 -13.281 1.00 0.00 C ATOM 567 CD LYS A 37 -4.123 -1.209 -13.982 1.00 0.00 C ATOM 568 CE LYS A 37 -5.608 -1.560 -13.849 1.00 0.00 C ATOM 569 NZ LYS A 37 -6.419 -0.330 -13.704 1.00 0.00 N ATOM 0 H LYS A 37 -1.655 -3.940 -12.115 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.607 -3.835 -14.789 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.677 -2.741 -15.302 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.972 -4.138 -14.287 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.865 -2.866 -12.625 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.515 -1.750 -12.651 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.938 -0.225 -13.551 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.852 -1.152 -15.036 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.936 -2.118 -14.726 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.759 -2.207 -12.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.419 -0.586 -13.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.094 0.204 -12.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.314 0.257 -14.556 1.00 0.00 H new ATOM 583 N LEU A 38 -0.282 -1.250 -12.845 1.00 0.00 N ATOM 584 CA LEU A 38 0.367 0.044 -12.717 1.00 0.00 C ATOM 585 C LEU A 38 1.840 -0.088 -13.107 1.00 0.00 C ATOM 586 O LEU A 38 2.315 0.613 -14.000 1.00 0.00 O ATOM 587 CB LEU A 38 0.152 0.614 -11.313 1.00 0.00 C ATOM 588 CG LEU A 38 1.255 1.534 -10.786 1.00 0.00 C ATOM 589 CD1 LEU A 38 0.669 2.835 -10.238 1.00 0.00 C ATOM 590 CD2 LEU A 38 2.121 0.814 -9.750 1.00 0.00 C ATOM 0 H LEU A 38 -0.689 -1.611 -11.982 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.081 0.764 -13.401 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.788 1.166 -11.307 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.038 -0.218 -10.618 1.00 0.00 H new ATOM 0 HG LEU A 38 1.905 1.800 -11.620 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.475 3.470 -9.870 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.131 3.354 -11.031 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.017 2.610 -9.422 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.897 1.490 -9.392 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.499 0.499 -8.912 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.584 -0.060 -10.207 1.00 0.00 H new ATOM 602 N PHE A 39 2.524 -0.992 -12.421 1.00 0.00 N ATOM 603 CA PHE A 39 3.933 -1.225 -12.685 1.00 0.00 C ATOM 604 C PHE A 39 4.190 -2.690 -13.041 1.00 0.00 C ATOM 605 O PHE A 39 4.977 -3.365 -12.381 1.00 0.00 O ATOM 606 CB PHE A 39 4.691 -0.884 -11.400 1.00 0.00 C ATOM 607 CG PHE A 39 4.956 0.610 -11.211 1.00 0.00 C ATOM 608 CD1 PHE A 39 4.894 1.452 -12.278 1.00 0.00 C ATOM 609 CD2 PHE A 39 5.253 1.098 -9.977 1.00 0.00 C ATOM 610 CE1 PHE A 39 5.141 2.840 -12.102 1.00 0.00 C ATOM 611 CE2 PHE A 39 5.499 2.485 -9.802 1.00 0.00 C ATOM 612 CZ PHE A 39 5.437 3.326 -10.868 1.00 0.00 C ATOM 0 H PHE A 39 2.128 -1.572 -11.682 1.00 0.00 H new ATOM 0 HA PHE A 39 4.260 -0.613 -13.525 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.122 -1.252 -10.546 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.643 -1.414 -11.401 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.657 1.065 -13.258 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.302 0.430 -9.130 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.094 3.509 -12.949 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.735 2.872 -8.822 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.623 4.381 -10.734 1.00 0.00 H new ATOM 622 N HIS A 40 3.509 -3.139 -14.086 1.00 0.00 N ATOM 623 CA HIS A 40 3.653 -4.513 -14.539 1.00 0.00 C ATOM 624 C HIS A 40 5.055 -4.719 -15.114 1.00 0.00 C ATOM 625 O HIS A 40 5.815 -5.555 -14.625 1.00 0.00 O ATOM 626 CB HIS A 40 2.546 -4.878 -15.530 1.00 0.00 C ATOM 627 CG HIS A 40 2.992 -5.807 -16.633 1.00 0.00 C ATOM 628 ND1 HIS A 40 3.091 -7.177 -16.464 1.00 0.00 N ATOM 629 CD2 HIS A 40 3.360 -5.550 -17.920 1.00 0.00 C ATOM 630 CE1 HIS A 40 3.504 -7.711 -17.605 1.00 0.00 C ATOM 631 NE2 HIS A 40 3.671 -6.700 -18.506 1.00 0.00 N ATOM 0 H HIS A 40 2.856 -2.576 -14.632 1.00 0.00 H new ATOM 0 HA HIS A 40 3.541 -5.192 -13.694 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.725 -5.344 -14.986 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.155 -3.963 -15.975 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.393 -4.576 -18.385 1.00 0.00 H new ATOM 0 HE1 HIS A 40 3.678 -8.761 -17.789 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.983 -6.810 -19.471 1.00 0.00 H new ATOM 640 N THR A 41 5.357 -3.943 -16.144 1.00 0.00 N ATOM 641 CA THR A 41 6.655 -4.031 -16.792 1.00 0.00 C ATOM 642 C THR A 41 7.777 -3.902 -15.759 1.00 0.00 C ATOM 643 O THR A 41 8.767 -4.629 -15.820 1.00 0.00 O ATOM 644 CB THR A 41 6.711 -2.961 -17.885 1.00 0.00 C ATOM 645 OG1 THR A 41 8.036 -3.060 -18.400 1.00 0.00 O ATOM 646 CG2 THR A 41 6.637 -1.542 -17.319 1.00 0.00 C ATOM 0 H THR A 41 4.725 -3.250 -16.546 1.00 0.00 H new ATOM 0 HA THR A 41 6.797 -5.005 -17.261 1.00 0.00 H new ATOM 0 HB THR A 41 5.891 -3.115 -18.586 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.159 -2.402 -19.116 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.681 -0.822 -18.136 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.702 -1.416 -16.774 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.476 -1.376 -16.643 1.00 0.00 H new ATOM 654 N ILE A 42 7.581 -2.974 -14.834 1.00 0.00 N ATOM 655 CA ILE A 42 8.564 -2.741 -13.789 1.00 0.00 C ATOM 656 C ILE A 42 9.152 -4.080 -13.341 1.00 0.00 C ATOM 657 O ILE A 42 8.436 -5.076 -13.244 1.00 0.00 O ATOM 658 CB ILE A 42 7.950 -1.926 -12.649 1.00 0.00 C ATOM 659 CG1 ILE A 42 7.542 -0.533 -13.128 1.00 0.00 C ATOM 660 CG2 ILE A 42 8.896 -1.865 -11.448 1.00 0.00 C ATOM 661 CD1 ILE A 42 8.657 0.483 -12.876 1.00 0.00 C ATOM 0 H ILE A 42 6.757 -2.375 -14.786 1.00 0.00 H new ATOM 0 HA ILE A 42 9.391 -2.141 -14.169 1.00 0.00 H new ATOM 0 HB ILE A 42 7.042 -2.431 -12.319 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.308 -0.565 -14.192 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.635 -0.218 -12.612 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.436 -1.280 -10.652 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.093 -2.875 -11.089 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.834 -1.396 -11.747 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.340 1.465 -13.226 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.872 0.530 -11.808 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.555 0.178 -13.414 1.00 0.00 H new ATOM 673 N PRO A 43 10.486 -4.061 -13.073 1.00 0.00 N ATOM 674 CA PRO A 43 11.179 -5.262 -12.637 1.00 0.00 C ATOM 675 C PRO A 43 10.853 -5.583 -11.177 1.00 0.00 C ATOM 676 O PRO A 43 10.515 -6.719 -10.847 1.00 0.00 O ATOM 677 CB PRO A 43 12.653 -4.971 -12.868 1.00 0.00 C ATOM 678 CG PRO A 43 12.766 -3.459 -12.984 1.00 0.00 C ATOM 679 CD PRO A 43 11.366 -2.901 -13.176 1.00 0.00 C ATOM 0 HA PRO A 43 10.871 -6.150 -13.189 1.00 0.00 H new ATOM 0 HB2 PRO A 43 13.259 -5.346 -12.043 1.00 0.00 H new ATOM 0 HB3 PRO A 43 13.010 -5.460 -13.774 1.00 0.00 H new ATOM 0 HG2 PRO A 43 13.224 -3.041 -12.088 1.00 0.00 H new ATOM 0 HG3 PRO A 43 13.404 -3.187 -13.825 1.00 0.00 H new ATOM 0 HD2 PRO A 43 11.129 -2.156 -12.416 1.00 0.00 H new ATOM 0 HD3 PRO A 43 11.264 -2.412 -14.145 1.00 0.00 H new ATOM 687 N PHE A 44 10.969 -4.563 -10.340 1.00 0.00 N ATOM 688 CA PHE A 44 10.691 -4.722 -8.923 1.00 0.00 C ATOM 689 C PHE A 44 9.376 -4.040 -8.541 1.00 0.00 C ATOM 690 O PHE A 44 9.223 -3.564 -7.417 1.00 0.00 O ATOM 691 CB PHE A 44 11.838 -4.050 -8.164 1.00 0.00 C ATOM 692 CG PHE A 44 12.258 -2.697 -8.741 1.00 0.00 C ATOM 693 CD1 PHE A 44 11.600 -1.566 -8.369 1.00 0.00 C ATOM 694 CD2 PHE A 44 13.289 -2.625 -9.625 1.00 0.00 C ATOM 695 CE1 PHE A 44 11.989 -0.309 -8.906 1.00 0.00 C ATOM 696 CE2 PHE A 44 13.678 -1.369 -10.161 1.00 0.00 C ATOM 697 CZ PHE A 44 13.020 -0.238 -9.789 1.00 0.00 C ATOM 0 H PHE A 44 11.252 -3.623 -10.616 1.00 0.00 H new ATOM 0 HA PHE A 44 10.605 -5.781 -8.678 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.541 -3.913 -7.124 1.00 0.00 H new ATOM 0 HB3 PHE A 44 12.700 -4.717 -8.164 1.00 0.00 H new ATOM 0 HD1 PHE A 44 10.782 -1.623 -7.666 1.00 0.00 H new ATOM 0 HD2 PHE A 44 13.812 -3.523 -9.919 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.466 0.589 -8.613 1.00 0.00 H new ATOM 0 HE2 PHE A 44 14.496 -1.312 -10.864 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.317 0.717 -10.196 1.00 0.00 H new ATOM 707 N GLY A 45 8.460 -4.016 -9.498 1.00 0.00 N ATOM 708 CA GLY A 45 7.163 -3.401 -9.277 1.00 0.00 C ATOM 709 C GLY A 45 6.175 -4.404 -8.676 1.00 0.00 C ATOM 710 O GLY A 45 5.879 -4.350 -7.483 1.00 0.00 O ATOM 0 H GLY A 45 8.591 -4.413 -10.428 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.271 -2.547 -8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.772 -3.020 -10.220 1.00 0.00 H new ATOM 714 N THR A 46 5.694 -5.295 -9.530 1.00 0.00 N ATOM 715 CA THR A 46 4.747 -6.309 -9.098 1.00 0.00 C ATOM 716 C THR A 46 5.339 -7.143 -7.961 1.00 0.00 C ATOM 717 O THR A 46 4.619 -7.568 -7.058 1.00 0.00 O ATOM 718 CB THR A 46 4.356 -7.141 -10.322 1.00 0.00 C ATOM 719 OG1 THR A 46 5.559 -7.811 -10.685 1.00 0.00 O ATOM 720 CG2 THR A 46 4.029 -6.274 -11.540 1.00 0.00 C ATOM 0 H THR A 46 5.942 -5.336 -10.519 1.00 0.00 H new ATOM 0 HA THR A 46 3.843 -5.858 -8.690 1.00 0.00 H new ATOM 0 HB THR A 46 3.494 -7.763 -10.078 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.395 -8.375 -11.470 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.758 -6.914 -12.380 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.195 -5.614 -11.303 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.901 -5.676 -11.806 1.00 0.00 H new ATOM 728 N ARG A 47 6.644 -7.351 -8.041 1.00 0.00 N ATOM 729 CA ARG A 47 7.342 -8.126 -7.028 1.00 0.00 C ATOM 730 C ARG A 47 7.191 -7.465 -5.656 1.00 0.00 C ATOM 731 O ARG A 47 6.843 -8.128 -4.680 1.00 0.00 O ATOM 732 CB ARG A 47 8.829 -8.258 -7.363 1.00 0.00 C ATOM 733 CG ARG A 47 9.553 -9.109 -6.317 1.00 0.00 C ATOM 734 CD ARG A 47 9.070 -10.560 -6.360 1.00 0.00 C ATOM 735 NE ARG A 47 9.960 -11.414 -5.543 1.00 0.00 N ATOM 736 CZ ARG A 47 9.668 -12.670 -5.178 1.00 0.00 C ATOM 737 NH1 ARG A 47 8.507 -13.225 -5.554 1.00 0.00 N ATOM 738 NH2 ARG A 47 10.535 -13.370 -4.434 1.00 0.00 N ATOM 0 H ARG A 47 7.237 -6.997 -8.791 1.00 0.00 H new ATOM 0 HA ARG A 47 6.897 -9.121 -7.006 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.945 -8.710 -8.348 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.284 -7.269 -7.411 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.628 -9.074 -6.496 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.381 -8.694 -5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.048 -10.623 -5.986 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.055 -10.917 -7.390 1.00 0.00 H new ATOM 0 HE ARG A 47 10.851 -11.022 -5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.846 -12.691 -6.118 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.285 -14.181 -5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.417 -12.947 -4.145 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.313 -14.326 -4.156 1.00 0.00 H new ATOM 752 N GLU A 48 7.461 -6.169 -5.627 1.00 0.00 N ATOM 753 CA GLU A 48 7.360 -5.412 -4.392 1.00 0.00 C ATOM 754 C GLU A 48 5.895 -5.270 -3.974 1.00 0.00 C ATOM 755 O GLU A 48 5.577 -5.316 -2.787 1.00 0.00 O ATOM 756 CB GLU A 48 8.026 -4.041 -4.531 1.00 0.00 C ATOM 757 CG GLU A 48 8.871 -3.713 -3.299 1.00 0.00 C ATOM 758 CD GLU A 48 8.225 -4.268 -2.028 1.00 0.00 C ATOM 759 OE1 GLU A 48 7.130 -3.773 -1.685 1.00 0.00 O ATOM 760 OE2 GLU A 48 8.842 -5.175 -1.428 1.00 0.00 O ATOM 0 H GLU A 48 7.750 -5.624 -6.439 1.00 0.00 H new ATOM 0 HA GLU A 48 7.889 -5.958 -3.611 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.655 -4.027 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.263 -3.275 -4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.870 -4.133 -3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.987 -2.633 -3.210 1.00 0.00 H new ATOM 768 N CYS A 49 5.043 -5.098 -4.974 1.00 0.00 N ATOM 769 CA CYS A 49 3.619 -4.948 -4.726 1.00 0.00 C ATOM 770 C CYS A 49 3.172 -6.079 -3.797 1.00 0.00 C ATOM 771 O CYS A 49 2.754 -5.831 -2.668 1.00 0.00 O ATOM 772 CB CYS A 49 2.816 -4.929 -6.029 1.00 0.00 C ATOM 773 SG CYS A 49 3.235 -3.559 -7.167 1.00 0.00 S ATOM 0 H CYS A 49 5.311 -5.059 -5.957 1.00 0.00 H new ATOM 0 HA CYS A 49 3.430 -3.988 -4.246 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.970 -5.875 -6.549 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.755 -4.869 -5.785 1.00 0.00 H new ATOM 778 N ASP A 50 3.274 -7.298 -4.308 1.00 0.00 N ATOM 779 CA ASP A 50 2.886 -8.467 -3.538 1.00 0.00 C ATOM 780 C ASP A 50 3.648 -8.476 -2.212 1.00 0.00 C ATOM 781 O ASP A 50 3.168 -9.019 -1.218 1.00 0.00 O ATOM 782 CB ASP A 50 3.226 -9.757 -4.288 1.00 0.00 C ATOM 783 CG ASP A 50 2.764 -9.799 -5.746 1.00 0.00 C ATOM 784 OD1 ASP A 50 1.534 -9.893 -5.948 1.00 0.00 O ATOM 785 OD2 ASP A 50 3.652 -9.737 -6.624 1.00 0.00 O ATOM 0 H ASP A 50 3.620 -7.501 -5.246 1.00 0.00 H new ATOM 0 HA ASP A 50 1.810 -8.419 -3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.306 -9.901 -4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.779 -10.597 -3.757 1.00 0.00 H new ATOM 791 N HIS A 51 4.825 -7.867 -2.238 1.00 0.00 N ATOM 792 CA HIS A 51 5.658 -7.798 -1.050 1.00 0.00 C ATOM 793 C HIS A 51 5.281 -6.563 -0.229 1.00 0.00 C ATOM 794 O HIS A 51 5.973 -6.212 0.726 1.00 0.00 O ATOM 795 CB HIS A 51 7.141 -7.830 -1.425 1.00 0.00 C ATOM 796 CG HIS A 51 7.841 -9.117 -1.055 1.00 0.00 C ATOM 797 ND1 HIS A 51 7.786 -9.661 0.217 1.00 0.00 N ATOM 798 CD2 HIS A 51 8.609 -9.960 -1.801 1.00 0.00 C ATOM 799 CE1 HIS A 51 8.493 -10.782 0.223 1.00 0.00 C ATOM 800 NE2 HIS A 51 9.004 -10.965 -1.029 1.00 0.00 N ATOM 0 H HIS A 51 5.221 -7.417 -3.063 1.00 0.00 H new ATOM 0 HA HIS A 51 5.481 -8.674 -0.426 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.237 -7.672 -2.499 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.647 -6.999 -0.934 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.855 -9.832 -2.845 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.639 -11.436 1.070 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.592 -11.745 -1.323 1.00 0.00 H new ATOM 809 N TYR A 52 4.184 -5.938 -0.631 1.00 0.00 N ATOM 810 CA TYR A 52 3.706 -4.750 0.056 1.00 0.00 C ATOM 811 C TYR A 52 2.356 -5.010 0.727 1.00 0.00 C ATOM 812 O TYR A 52 2.168 -4.680 1.897 1.00 0.00 O ATOM 813 CB TYR A 52 3.527 -3.682 -1.026 1.00 0.00 C ATOM 814 CG TYR A 52 3.463 -2.253 -0.483 1.00 0.00 C ATOM 815 CD1 TYR A 52 4.613 -1.630 -0.042 1.00 0.00 C ATOM 816 CD2 TYR A 52 2.256 -1.586 -0.437 1.00 0.00 C ATOM 817 CE1 TYR A 52 4.553 -0.285 0.468 1.00 0.00 C ATOM 818 CE2 TYR A 52 2.196 -0.241 0.074 1.00 0.00 C ATOM 819 CZ TYR A 52 3.347 0.343 0.500 1.00 0.00 C ATOM 820 OH TYR A 52 3.291 1.614 0.982 1.00 0.00 O ATOM 0 H TYR A 52 3.613 -6.232 -1.423 1.00 0.00 H new ATOM 0 HA TYR A 52 4.408 -4.446 0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.353 -3.754 -1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.612 -3.891 -1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.558 -2.152 -0.080 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.356 -2.073 -0.784 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.445 0.214 0.817 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.258 0.292 0.118 1.00 0.00 H new ATOM 0 HH TYR A 52 4.123 2.084 0.764 1.00 0.00 H new ATOM 830 N VAL A 53 1.453 -5.600 -0.042 1.00 0.00 N ATOM 831 CA VAL A 53 0.126 -5.908 0.463 1.00 0.00 C ATOM 832 C VAL A 53 0.253 -6.769 1.722 1.00 0.00 C ATOM 833 O VAL A 53 -0.663 -6.813 2.543 1.00 0.00 O ATOM 834 CB VAL A 53 -0.711 -6.572 -0.632 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.708 -5.730 -1.909 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.220 -7.993 -0.912 1.00 0.00 C ATOM 0 H VAL A 53 1.614 -5.873 -1.011 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.397 -4.994 0.743 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.739 -6.637 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.310 -6.224 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.127 -4.746 -1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.315 -5.619 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.832 -8.442 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.820 -7.961 -1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.297 -8.590 -0.003 1.00 0.00 H new ATOM 846 N ASN A 54 1.394 -7.431 1.836 1.00 0.00 N ATOM 847 CA ASN A 54 1.652 -8.287 2.981 1.00 0.00 C ATOM 848 C ASN A 54 3.063 -8.017 3.508 1.00 0.00 C ATOM 849 O ASN A 54 3.891 -8.924 3.571 1.00 0.00 O ATOM 850 CB ASN A 54 1.568 -9.765 2.594 1.00 0.00 C ATOM 851 CG ASN A 54 1.020 -10.604 3.750 1.00 0.00 C ATOM 852 OD1 ASN A 54 0.626 -10.097 4.787 1.00 0.00 O ATOM 853 ND2 ASN A 54 1.017 -11.913 3.515 1.00 0.00 N ATOM 0 H ASN A 54 2.151 -7.392 1.154 1.00 0.00 H new ATOM 0 HA ASN A 54 0.901 -8.069 3.740 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.926 -9.880 1.720 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.557 -10.128 2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.670 -12.558 4.225 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.361 -12.272 2.625 1.00 0.00 H new ATOM 860 N SER A 55 3.294 -6.764 3.872 1.00 0.00 N ATOM 861 CA SER A 55 4.590 -6.362 4.391 1.00 0.00 C ATOM 862 C SER A 55 4.526 -4.921 4.903 1.00 0.00 C ATOM 863 O SER A 55 5.079 -4.608 5.956 1.00 0.00 O ATOM 864 CB SER A 55 5.677 -6.497 3.322 1.00 0.00 C ATOM 865 OG SER A 55 6.931 -6.879 3.882 1.00 0.00 O ATOM 0 H SER A 55 2.605 -6.014 3.818 1.00 0.00 H new ATOM 0 HA SER A 55 4.847 -7.023 5.218 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.369 -7.237 2.583 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.788 -5.549 2.796 1.00 0.00 H new ATOM 0 HG SER A 55 7.554 -7.111 3.162 1.00 0.00 H new ATOM 871 N LYS A 56 3.846 -4.084 4.133 1.00 0.00 N ATOM 872 CA LYS A 56 3.701 -2.684 4.496 1.00 0.00 C ATOM 873 C LYS A 56 2.215 -2.324 4.541 1.00 0.00 C ATOM 874 O LYS A 56 1.858 -1.146 4.545 1.00 0.00 O ATOM 875 CB LYS A 56 4.521 -1.800 3.554 1.00 0.00 C ATOM 876 CG LYS A 56 6.020 -1.968 3.809 1.00 0.00 C ATOM 877 CD LYS A 56 6.723 -2.552 2.582 1.00 0.00 C ATOM 878 CE LYS A 56 8.239 -2.592 2.785 1.00 0.00 C ATOM 879 NZ LYS A 56 8.940 -2.327 1.509 1.00 0.00 N ATOM 0 H LYS A 56 3.390 -4.348 3.260 1.00 0.00 H new ATOM 0 HA LYS A 56 4.102 -2.505 5.494 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.294 -2.057 2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.240 -0.756 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.460 -1.003 4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.175 -2.622 4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.352 -3.559 2.391 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.486 -1.952 1.703 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.532 -1.851 3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.534 -3.567 3.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.968 -2.358 1.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.674 -3.050 0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.672 -1.387 1.154 1.00 0.00 H new ATOM 893 N VAL A 57 1.389 -3.359 4.573 1.00 0.00 N ATOM 894 CA VAL A 57 -0.050 -3.166 4.617 1.00 0.00 C ATOM 895 C VAL A 57 -0.533 -3.279 6.064 1.00 0.00 C ATOM 896 O VAL A 57 -1.312 -2.449 6.530 1.00 0.00 O ATOM 897 CB VAL A 57 -0.740 -4.159 3.678 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.858 -4.912 4.402 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.274 -3.452 2.430 1.00 0.00 C ATOM 0 H VAL A 57 1.689 -4.334 4.569 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.312 -2.168 4.264 1.00 0.00 H new ATOM 0 HB VAL A 57 0.003 -4.890 3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.332 -5.611 3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.440 -5.462 5.245 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.600 -4.201 4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.759 -4.179 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.996 -2.690 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.448 -2.982 1.896 1.00 0.00 H new ATOM 909 N ASP A 58 -0.047 -4.312 6.737 1.00 0.00 N ATOM 910 CA ASP A 58 -0.418 -4.544 8.122 1.00 0.00 C ATOM 911 C ASP A 58 -0.198 -3.261 8.927 1.00 0.00 C ATOM 912 O ASP A 58 -1.050 -2.870 9.723 1.00 0.00 O ATOM 913 CB ASP A 58 0.441 -5.645 8.746 1.00 0.00 C ATOM 914 CG ASP A 58 -0.290 -6.961 9.019 1.00 0.00 C ATOM 915 OD1 ASP A 58 -1.498 -6.883 9.334 1.00 0.00 O ATOM 916 OD2 ASP A 58 0.373 -8.014 8.905 1.00 0.00 O ATOM 0 H ASP A 58 0.601 -4.998 6.348 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.465 -4.847 8.143 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.284 -5.846 8.085 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.853 -5.275 9.685 1.00 0.00 H new ATOM 922 N PRO A 59 0.979 -2.625 8.684 1.00 0.00 N ATOM 923 CA PRO A 59 1.322 -1.394 9.375 1.00 0.00 C ATOM 924 C PRO A 59 0.526 -0.212 8.817 1.00 0.00 C ATOM 925 O PRO A 59 -0.175 0.475 9.558 1.00 0.00 O ATOM 926 CB PRO A 59 2.822 -1.242 9.189 1.00 0.00 C ATOM 927 CG PRO A 59 3.189 -2.136 8.015 1.00 0.00 C ATOM 928 CD PRO A 59 2.011 -3.059 7.746 1.00 0.00 C ATOM 0 HA PRO A 59 1.068 -1.422 10.435 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.087 -0.204 8.988 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.359 -1.539 10.089 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.413 -1.536 7.133 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.084 -2.715 8.242 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.669 -2.975 6.714 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.280 -4.103 7.908 1.00 0.00 H new ATOM 936 N ILE A 60 0.664 -0.010 7.514 1.00 0.00 N ATOM 937 CA ILE A 60 -0.032 1.078 6.849 1.00 0.00 C ATOM 938 C ILE A 60 -1.488 1.107 7.315 1.00 0.00 C ATOM 939 O ILE A 60 -1.952 2.111 7.854 1.00 0.00 O ATOM 940 CB ILE A 60 0.125 0.964 5.331 1.00 0.00 C ATOM 941 CG1 ILE A 60 1.517 1.419 4.888 1.00 0.00 C ATOM 942 CG2 ILE A 60 -0.985 1.727 4.605 1.00 0.00 C ATOM 943 CD1 ILE A 60 1.641 1.400 3.363 1.00 0.00 C ATOM 0 H ILE A 60 1.247 -0.581 6.902 1.00 0.00 H new ATOM 0 HA ILE A 60 0.409 2.036 7.122 1.00 0.00 H new ATOM 0 HB ILE A 60 0.026 -0.086 5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.710 2.425 5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.273 0.767 5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.849 1.629 3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.954 1.316 4.887 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.944 2.780 4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.640 1.728 3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.472 0.387 2.997 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.900 2.071 2.929 1.00 0.00 H new ATOM 955 N ILE A 61 -2.172 -0.006 7.091 1.00 0.00 N ATOM 956 CA ILE A 61 -3.566 -0.121 7.482 1.00 0.00 C ATOM 957 C ILE A 61 -3.690 0.115 8.988 1.00 0.00 C ATOM 958 O ILE A 61 -4.758 0.480 9.478 1.00 0.00 O ATOM 959 CB ILE A 61 -4.143 -1.461 7.020 1.00 0.00 C ATOM 960 CG1 ILE A 61 -3.881 -1.687 5.530 1.00 0.00 C ATOM 961 CG2 ILE A 61 -5.632 -1.563 7.361 1.00 0.00 C ATOM 962 CD1 ILE A 61 -5.037 -2.446 4.877 1.00 0.00 C ATOM 0 H ILE A 61 -1.785 -0.837 6.643 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.164 0.645 6.989 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.632 -2.257 7.561 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.745 -0.727 5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.955 -2.247 5.401 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.018 -2.524 7.022 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.765 -1.478 8.440 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.175 -0.759 6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.824 -2.593 3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.155 -3.415 5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.957 -1.872 4.986 1.00 0.00 H new ATOM 974 N HIS A 62 -2.582 -0.102 9.682 1.00 0.00 N ATOM 975 CA HIS A 62 -2.554 0.082 11.123 1.00 0.00 C ATOM 976 C HIS A 62 -2.777 1.558 11.456 1.00 0.00 C ATOM 977 O HIS A 62 -3.656 1.893 12.249 1.00 0.00 O ATOM 978 CB HIS A 62 -1.254 -0.469 11.716 1.00 0.00 C ATOM 979 CG HIS A 62 -0.262 0.596 12.118 1.00 0.00 C ATOM 980 ND1 HIS A 62 -0.590 1.648 12.955 1.00 0.00 N ATOM 981 CD2 HIS A 62 1.051 0.761 11.788 1.00 0.00 C ATOM 982 CE1 HIS A 62 0.485 2.405 13.117 1.00 0.00 C ATOM 983 NE2 HIS A 62 1.501 1.854 12.392 1.00 0.00 N ATOM 0 H HIS A 62 -1.698 -0.403 9.273 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.364 -0.485 11.581 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.494 -1.076 12.589 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.786 -1.130 10.987 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.627 0.112 11.144 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.546 3.301 13.717 1.00 0.00 H new ATOM 0 HE2 HIS A 62 2.450 2.221 12.325 1.00 0.00 H new ATOM 992 N GLU A 63 -1.968 2.402 10.834 1.00 0.00 N ATOM 993 CA GLU A 63 -2.067 3.835 11.054 1.00 0.00 C ATOM 994 C GLU A 63 -3.496 4.314 10.794 1.00 0.00 C ATOM 995 O GLU A 63 -4.078 5.017 11.619 1.00 0.00 O ATOM 996 CB GLU A 63 -1.066 4.594 10.181 1.00 0.00 C ATOM 997 CG GLU A 63 0.170 4.999 10.986 1.00 0.00 C ATOM 998 CD GLU A 63 1.437 4.373 10.400 1.00 0.00 C ATOM 999 OE1 GLU A 63 1.443 3.131 10.258 1.00 0.00 O ATOM 1000 OE2 GLU A 63 2.371 5.151 10.107 1.00 0.00 O ATOM 0 H GLU A 63 -1.240 2.121 10.177 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.820 4.041 12.095 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.767 3.970 9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.541 5.483 9.766 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.265 6.085 10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.052 4.685 12.023 1.00 0.00 H new ATOM 1008 N LEU A 64 -4.020 3.916 9.644 1.00 0.00 N ATOM 1009 CA LEU A 64 -5.370 4.297 9.265 1.00 0.00 C ATOM 1010 C LEU A 64 -6.355 3.774 10.312 1.00 0.00 C ATOM 1011 O LEU A 64 -7.303 4.465 10.678 1.00 0.00 O ATOM 1012 CB LEU A 64 -5.678 3.828 7.841 1.00 0.00 C ATOM 1013 CG LEU A 64 -4.678 4.252 6.764 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -4.962 3.539 5.440 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -4.656 5.773 6.604 1.00 0.00 C ATOM 0 H LEU A 64 -3.534 3.333 8.962 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.470 5.382 9.247 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.739 2.740 7.843 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.663 4.202 7.562 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.682 3.948 7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.237 3.859 4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.885 2.461 5.583 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.967 3.789 5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.937 6.047 5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.648 6.123 6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.368 6.234 7.549 1.00 0.00 H new ATOM 1027 N GLU A 65 -6.097 2.554 10.763 1.00 0.00 N ATOM 1028 CA GLU A 65 -6.950 1.929 11.760 1.00 0.00 C ATOM 1029 C GLU A 65 -7.039 2.810 13.009 1.00 0.00 C ATOM 1030 O GLU A 65 -8.131 3.190 13.427 1.00 0.00 O ATOM 1031 CB GLU A 65 -6.446 0.529 12.113 1.00 0.00 C ATOM 1032 CG GLU A 65 -7.278 -0.546 11.409 1.00 0.00 C ATOM 1033 CD GLU A 65 -6.957 -1.937 11.960 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -5.921 -2.491 11.533 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -7.753 -2.413 12.797 1.00 0.00 O ATOM 0 H GLU A 65 -5.310 1.982 10.456 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.950 1.824 11.340 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.400 0.432 11.824 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.494 0.383 13.192 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.339 -0.334 11.542 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.079 -0.521 10.338 1.00 0.00 H new ATOM 1043 N GLY A 66 -5.876 3.109 13.568 1.00 0.00 N ATOM 1044 CA GLY A 66 -5.809 3.938 14.760 1.00 0.00 C ATOM 1045 C GLY A 66 -6.505 5.281 14.533 1.00 0.00 C ATOM 1046 O GLY A 66 -7.275 5.736 15.377 1.00 0.00 O ATOM 0 H GLY A 66 -4.972 2.792 13.218 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.277 3.418 15.596 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.767 4.106 15.033 1.00 0.00 H new ATOM 1050 N GLY A 67 -6.209 5.879 13.387 1.00 0.00 N ATOM 1051 CA GLY A 67 -6.797 7.161 13.039 1.00 0.00 C ATOM 1052 C GLY A 67 -5.743 8.108 12.463 1.00 0.00 C ATOM 1053 O GLY A 67 -5.688 9.280 12.831 1.00 0.00 O ATOM 0 H GLY A 67 -5.570 5.499 12.689 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.595 7.014 12.312 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.250 7.610 13.923 1.00 0.00 H new ATOM 1057 N THR A 68 -4.931 7.564 11.568 1.00 0.00 N ATOM 1058 CA THR A 68 -3.882 8.347 10.936 1.00 0.00 C ATOM 1059 C THR A 68 -4.193 8.559 9.454 1.00 0.00 C ATOM 1060 O THR A 68 -4.640 7.637 8.772 1.00 0.00 O ATOM 1061 CB THR A 68 -2.550 7.636 11.182 1.00 0.00 C ATOM 1062 OG1 THR A 68 -2.225 7.962 12.530 1.00 0.00 O ATOM 1063 CG2 THR A 68 -1.404 8.241 10.367 1.00 0.00 C ATOM 0 H THR A 68 -4.978 6.591 11.266 1.00 0.00 H new ATOM 0 HA THR A 68 -3.819 9.346 11.368 1.00 0.00 H new ATOM 0 HB THR A 68 -2.653 6.579 10.936 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.375 7.539 12.773 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.482 7.700 10.579 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.634 8.165 9.304 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.279 9.290 10.637 1.00 0.00 H new ATOM 1071 N ALA A 69 -3.946 9.778 8.998 1.00 0.00 N ATOM 1072 CA ALA A 69 -4.195 10.123 7.609 1.00 0.00 C ATOM 1073 C ALA A 69 -3.405 9.175 6.703 1.00 0.00 C ATOM 1074 O ALA A 69 -2.464 8.524 7.152 1.00 0.00 O ATOM 1075 CB ALA A 69 -3.833 11.591 7.374 1.00 0.00 C ATOM 0 H ALA A 69 -3.576 10.540 9.567 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.252 10.006 7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.020 11.849 6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.442 12.224 8.020 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.779 11.747 7.603 1.00 0.00 H new ATOM 1081 N PRO A 70 -3.829 9.127 5.412 1.00 0.00 N ATOM 1082 CA PRO A 70 -3.172 8.270 4.440 1.00 0.00 C ATOM 1083 C PRO A 70 -1.825 8.858 4.013 1.00 0.00 C ATOM 1084 O PRO A 70 -1.024 8.181 3.370 1.00 0.00 O ATOM 1085 CB PRO A 70 -4.158 8.149 3.290 1.00 0.00 C ATOM 1086 CG PRO A 70 -5.129 9.309 3.451 1.00 0.00 C ATOM 1087 CD PRO A 70 -4.941 9.884 4.845 1.00 0.00 C ATOM 0 HA PRO A 70 -2.929 7.287 4.843 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.646 8.199 2.329 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.682 7.194 3.323 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.941 10.072 2.695 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.156 8.969 3.313 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.716 10.950 4.807 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.844 9.771 5.445 1.00 0.00 H new ATOM 1095 N LYS A 71 -1.618 10.112 4.387 1.00 0.00 N ATOM 1096 CA LYS A 71 -0.382 10.799 4.051 1.00 0.00 C ATOM 1097 C LYS A 71 0.551 10.784 5.263 1.00 0.00 C ATOM 1098 O LYS A 71 1.761 10.952 5.121 1.00 0.00 O ATOM 1099 CB LYS A 71 -0.677 12.203 3.518 1.00 0.00 C ATOM 1100 CG LYS A 71 -1.459 12.138 2.204 1.00 0.00 C ATOM 1101 CD LYS A 71 -2.371 13.357 2.049 1.00 0.00 C ATOM 1102 CE LYS A 71 -3.842 12.939 2.008 1.00 0.00 C ATOM 1103 NZ LYS A 71 -4.699 14.092 1.652 1.00 0.00 N ATOM 0 H LYS A 71 -2.285 10.670 4.919 1.00 0.00 H new ATOM 0 HA LYS A 71 0.135 10.280 3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.248 12.764 4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.258 12.741 3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.765 12.090 1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.056 11.227 2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.208 14.046 2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.116 13.893 1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.979 12.139 1.281 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.141 12.542 2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.694 13.791 1.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.581 14.844 2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.424 14.453 0.716 1.00 0.00 H new ATOM 1117 N ASP A 72 -0.047 10.581 6.427 1.00 0.00 N ATOM 1118 CA ASP A 72 0.715 10.542 7.663 1.00 0.00 C ATOM 1119 C ASP A 72 1.382 9.172 7.804 1.00 0.00 C ATOM 1120 O ASP A 72 2.439 9.053 8.419 1.00 0.00 O ATOM 1121 CB ASP A 72 -0.192 10.753 8.877 1.00 0.00 C ATOM 1122 CG ASP A 72 -0.205 12.178 9.435 1.00 0.00 C ATOM 1123 OD1 ASP A 72 0.902 12.737 9.590 1.00 0.00 O ATOM 1124 OD2 ASP A 72 -1.322 12.676 9.695 1.00 0.00 O ATOM 0 H ASP A 72 -1.051 10.442 6.540 1.00 0.00 H new ATOM 0 HA ASP A 72 1.458 11.339 7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.210 10.477 8.603 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.121 10.072 9.668 1.00 0.00 H new ATOM 1130 N VAL A 73 0.735 8.173 7.223 1.00 0.00 N ATOM 1131 CA VAL A 73 1.251 6.816 7.275 1.00 0.00 C ATOM 1132 C VAL A 73 2.551 6.738 6.471 1.00 0.00 C ATOM 1133 O VAL A 73 3.549 6.199 6.948 1.00 0.00 O ATOM 1134 CB VAL A 73 0.187 5.831 6.786 1.00 0.00 C ATOM 1135 CG1 VAL A 73 0.537 4.399 7.195 1.00 0.00 C ATOM 1136 CG2 VAL A 73 -1.200 6.225 7.297 1.00 0.00 C ATOM 0 H VAL A 73 -0.143 8.276 6.713 1.00 0.00 H new ATOM 0 HA VAL A 73 1.486 6.537 8.302 1.00 0.00 H new ATOM 0 HB VAL A 73 0.166 5.872 5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.235 3.719 6.835 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.497 4.121 6.760 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.599 4.336 8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.938 5.509 6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.199 6.226 8.387 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.452 7.221 6.933 1.00 0.00 H new ATOM 1146 N CYS A 74 2.498 7.284 5.265 1.00 0.00 N ATOM 1147 CA CYS A 74 3.658 7.284 4.391 1.00 0.00 C ATOM 1148 C CYS A 74 4.650 8.326 4.909 1.00 0.00 C ATOM 1149 O CYS A 74 4.960 9.293 4.214 1.00 0.00 O ATOM 1150 CB CYS A 74 3.268 7.541 2.933 1.00 0.00 C ATOM 1151 SG CYS A 74 1.574 7.013 2.488 1.00 0.00 S ATOM 0 H CYS A 74 1.669 7.730 4.873 1.00 0.00 H new ATOM 0 HA CYS A 74 4.127 6.300 4.405 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.367 8.607 2.727 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.976 7.024 2.286 1.00 0.00 H new ATOM 1156 N THR A 75 5.121 8.096 6.126 1.00 0.00 N ATOM 1157 CA THR A 75 6.072 9.003 6.745 1.00 0.00 C ATOM 1158 C THR A 75 6.459 8.501 8.138 1.00 0.00 C ATOM 1159 O THR A 75 7.641 8.388 8.455 1.00 0.00 O ATOM 1160 CB THR A 75 5.453 10.402 6.754 1.00 0.00 C ATOM 1161 OG1 THR A 75 6.105 11.075 5.679 1.00 0.00 O ATOM 1162 CG2 THR A 75 5.847 11.210 7.991 1.00 0.00 C ATOM 0 H THR A 75 4.861 7.294 6.700 1.00 0.00 H new ATOM 0 HA THR A 75 7.003 9.047 6.179 1.00 0.00 H new ATOM 0 HB THR A 75 4.367 10.319 6.706 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.787 10.713 4.826 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.381 12.194 7.946 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.511 10.689 8.888 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.931 11.323 8.022 1.00 0.00 H new ATOM 1170 N LYS A 76 5.437 8.214 8.933 1.00 0.00 N ATOM 1171 CA LYS A 76 5.655 7.727 10.285 1.00 0.00 C ATOM 1172 C LYS A 76 6.463 6.429 10.231 1.00 0.00 C ATOM 1173 O LYS A 76 7.408 6.249 10.997 1.00 0.00 O ATOM 1174 CB LYS A 76 4.324 7.593 11.027 1.00 0.00 C ATOM 1175 CG LYS A 76 3.853 8.949 11.556 1.00 0.00 C ATOM 1176 CD LYS A 76 2.482 8.830 12.226 1.00 0.00 C ATOM 1177 CE LYS A 76 2.517 9.388 13.649 1.00 0.00 C ATOM 1178 NZ LYS A 76 2.883 8.326 14.615 1.00 0.00 N ATOM 0 H LYS A 76 4.457 8.309 8.667 1.00 0.00 H new ATOM 0 HA LYS A 76 6.242 8.444 10.858 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.570 7.178 10.358 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.434 6.894 11.856 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.579 9.336 12.271 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.800 9.665 10.736 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.738 9.369 11.639 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.174 7.785 12.249 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.236 10.205 13.708 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.543 9.802 13.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.902 8.723 15.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.182 7.559 14.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.823 7.949 14.377 1.00 0.00 H new ATOM 1192 N LEU A 77 6.062 5.558 9.316 1.00 0.00 N ATOM 1193 CA LEU A 77 6.737 4.281 9.152 1.00 0.00 C ATOM 1194 C LEU A 77 7.799 4.409 8.058 1.00 0.00 C ATOM 1195 O LEU A 77 8.046 3.460 7.314 1.00 0.00 O ATOM 1196 CB LEU A 77 5.720 3.167 8.896 1.00 0.00 C ATOM 1197 CG LEU A 77 4.371 3.316 9.601 1.00 0.00 C ATOM 1198 CD1 LEU A 77 3.669 1.963 9.734 1.00 0.00 C ATOM 1199 CD2 LEU A 77 4.532 4.014 10.952 1.00 0.00 C ATOM 0 H LEU A 77 5.279 5.711 8.681 1.00 0.00 H new ATOM 0 HA LEU A 77 7.255 4.002 10.069 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.542 3.105 7.823 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.164 2.219 9.201 1.00 0.00 H new ATOM 0 HG LEU A 77 3.733 3.950 8.986 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.712 2.098 10.239 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.500 1.542 8.743 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.294 1.285 10.315 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.558 4.107 11.432 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.195 3.427 11.588 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.958 5.006 10.801 1.00 0.00 H new ATOM 1211 N ASN A 78 8.400 5.588 7.994 1.00 0.00 N ATOM 1212 CA ASN A 78 9.429 5.850 7.004 1.00 0.00 C ATOM 1213 C ASN A 78 9.009 5.243 5.664 1.00 0.00 C ATOM 1214 O ASN A 78 9.852 4.786 4.894 1.00 0.00 O ATOM 1215 CB ASN A 78 10.761 5.218 7.413 1.00 0.00 C ATOM 1216 CG ASN A 78 11.288 5.838 8.708 1.00 0.00 C ATOM 1217 OD1 ASN A 78 10.585 6.528 9.426 1.00 0.00 O ATOM 1218 ND2 ASN A 78 12.563 5.556 8.963 1.00 0.00 N ATOM 0 H ASN A 78 8.193 6.372 8.612 1.00 0.00 H new ATOM 0 HA ASN A 78 9.552 6.930 6.924 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.632 4.144 7.546 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.492 5.355 6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.009 5.925 9.803 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.095 4.971 8.318 1.00 0.00 H new ATOM 1225 N GLU A 79 7.706 5.258 5.426 1.00 0.00 N ATOM 1226 CA GLU A 79 7.164 4.715 4.193 1.00 0.00 C ATOM 1227 C GLU A 79 7.317 5.726 3.054 1.00 0.00 C ATOM 1228 O GLU A 79 6.820 5.505 1.951 1.00 0.00 O ATOM 1229 CB GLU A 79 5.699 4.307 4.370 1.00 0.00 C ATOM 1230 CG GLU A 79 5.541 2.787 4.292 1.00 0.00 C ATOM 1231 CD GLU A 79 4.500 2.293 5.298 1.00 0.00 C ATOM 1232 OE1 GLU A 79 3.818 3.161 5.883 1.00 0.00 O ATOM 1233 OE2 GLU A 79 4.410 1.057 5.460 1.00 0.00 O ATOM 0 H GLU A 79 7.009 5.638 6.067 1.00 0.00 H new ATOM 0 HA GLU A 79 7.728 3.819 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.331 4.666 5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.090 4.780 3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.243 2.500 3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.500 2.307 4.490 1.00 0.00 H new