USER MOD reduce.3.24.130724 H: found=0, std=0, add=532, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 533 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 86 SER OG : rot -150:sc= -1.04 USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 117 HIS : no HD1:sc= -0.439 X(o=-0.44,f=-0.25) USER MOD Single : A 78 THR OG1 : rot -148:sc= -2.19 USER MOD Single : A 81 HIS : no HD1:sc= -4.02! C(o=-4!,f=-6.2!) USER MOD Single : A 84 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.29) USER MOD Single : A 89 CYS SG : rot 99:sc= 1.46 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 91 ASN : amide:sc= -0.667 K(o=-0.67,f=-0.022) USER MOD Single : A 92 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.5!) USER MOD Single : A 97 LYS NZ :NH3+ 177:sc= -2.03! (180deg=-2.12!) USER MOD Single : A 101 TYR OH : rot -130:sc= -0.95 USER MOD Single : A 107 CYS SG : rot 160:sc= -0.638 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 166:sc= -0.712 (180deg=-0.969) USER MOD Single : A 133 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 134 THR OG1 : rot -73:sc= 1.12 USER MOD Single : A 137 GLN : amide:sc=-0.00539 K(o=-0.0054,f=-0.93) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 MET CE :methyl -113:sc= -0.972 (180deg=-1.06) USER MOD Single : A 142 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.011) USER MOD Single : A 144 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 78 -1.772 13.390 9.240 1.00 0.00 N ATOM 110 CA THR A 78 -2.899 12.778 8.548 1.00 0.00 C ATOM 111 C THR A 78 -3.121 11.345 9.018 1.00 0.00 C ATOM 112 O THR A 78 -2.203 10.696 9.521 1.00 0.00 O ATOM 113 CB THR A 78 -2.690 12.778 7.022 1.00 0.00 C ATOM 114 OG1 THR A 78 -1.338 12.420 6.713 1.00 0.00 O ATOM 115 CG2 THR A 78 -3.005 14.145 6.433 1.00 0.00 C ATOM 0 HA THR A 78 -3.778 13.377 8.787 1.00 0.00 H new ATOM 0 HB THR A 78 -3.369 12.046 6.584 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.059 12.876 5.892 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.850 14.121 5.354 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.043 14.402 6.645 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.348 14.893 6.877 1.00 0.00 H new ATOM 123 N LYS A 79 -4.345 10.855 8.851 1.00 0.00 N ATOM 124 CA LYS A 79 -4.688 9.497 9.257 1.00 0.00 C ATOM 125 C LYS A 79 -5.450 8.775 8.151 1.00 0.00 C ATOM 126 O LYS A 79 -6.456 9.277 7.646 1.00 0.00 O ATOM 127 CB LYS A 79 -5.526 9.521 10.537 1.00 0.00 C ATOM 128 CG LYS A 79 -5.756 8.146 11.140 1.00 0.00 C ATOM 129 CD LYS A 79 -4.661 7.780 12.127 1.00 0.00 C ATOM 130 CE LYS A 79 -5.185 6.874 13.230 1.00 0.00 C ATOM 131 NZ LYS A 79 -4.142 6.585 14.253 1.00 0.00 N ATOM 0 H LYS A 79 -5.116 11.379 8.437 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.761 8.957 9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.030 10.153 11.274 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.491 9.980 10.321 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.723 8.126 11.643 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.795 7.401 10.345 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.847 7.281 11.601 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.247 8.688 12.566 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.043 7.345 13.709 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.536 5.938 12.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.539 5.965 14.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.333 6.113 13.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.825 7.476 14.686 1.00 0.00 H new ATOM 145 N LEU A 80 -4.967 7.594 7.779 1.00 0.00 N ATOM 146 CA LEU A 80 -5.605 6.802 6.733 1.00 0.00 C ATOM 147 C LEU A 80 -6.158 5.497 7.299 1.00 0.00 C ATOM 148 O LEU A 80 -5.443 4.742 7.959 1.00 0.00 O ATOM 149 CB LEU A 80 -4.608 6.503 5.613 1.00 0.00 C ATOM 150 CG LEU A 80 -3.778 7.689 5.119 1.00 0.00 C ATOM 151 CD1 LEU A 80 -2.757 7.233 4.087 1.00 0.00 C ATOM 152 CD2 LEU A 80 -4.681 8.767 4.538 1.00 0.00 C ATOM 0 H LEU A 80 -4.136 7.164 8.186 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.435 7.381 6.328 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.926 5.727 5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.156 6.091 4.766 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.242 8.112 5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.176 8.090 3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.090 6.497 4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.273 6.785 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.073 9.603 4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.245 8.357 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.373 9.115 5.305 1.00 0.00 H new ATOM 164 N HIS A 81 -7.434 5.237 7.034 1.00 0.00 N ATOM 165 CA HIS A 81 -8.082 4.022 7.514 1.00 0.00 C ATOM 166 C HIS A 81 -8.112 2.955 6.424 1.00 0.00 C ATOM 167 O HIS A 81 -8.368 3.252 5.257 1.00 0.00 O ATOM 168 CB HIS A 81 -9.505 4.329 7.983 1.00 0.00 C ATOM 169 CG HIS A 81 -10.250 3.122 8.464 1.00 0.00 C ATOM 170 ND1 HIS A 81 -10.379 1.970 7.717 1.00 0.00 N ATOM 171 CD2 HIS A 81 -10.907 2.891 9.625 1.00 0.00 C ATOM 172 CE1 HIS A 81 -11.084 1.083 8.397 1.00 0.00 C ATOM 173 NE2 HIS A 81 -11.416 1.618 9.559 1.00 0.00 N ATOM 0 H HIS A 81 -8.040 5.851 6.490 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.504 3.640 8.356 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -9.463 5.064 8.787 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.059 4.785 7.162 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -11.011 3.580 10.450 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.344 0.090 8.061 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -11.962 1.159 10.288 1.00 0.00 H new ATOM 182 N VAL A 82 -7.848 1.711 6.812 1.00 0.00 N ATOM 183 CA VAL A 82 -7.844 0.600 5.869 1.00 0.00 C ATOM 184 C VAL A 82 -8.749 -0.530 6.347 1.00 0.00 C ATOM 185 O VAL A 82 -8.871 -0.776 7.546 1.00 0.00 O ATOM 186 CB VAL A 82 -6.422 0.049 5.655 1.00 0.00 C ATOM 187 CG1 VAL A 82 -6.349 -0.758 4.368 1.00 0.00 C ATOM 188 CG2 VAL A 82 -5.408 1.183 5.642 1.00 0.00 C ATOM 0 H VAL A 82 -7.634 1.448 7.774 1.00 0.00 H new ATOM 0 HA VAL A 82 -8.221 0.988 4.923 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.180 -0.615 6.485 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.337 -1.139 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.047 -1.594 4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.611 -0.121 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.409 0.776 5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.645 1.874 4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.443 1.713 6.594 1.00 0.00 H new ATOM 198 N GLY A 83 -9.383 -1.215 5.400 1.00 0.00 N ATOM 199 CA GLY A 83 -10.269 -2.312 5.744 1.00 0.00 C ATOM 200 C GLY A 83 -9.974 -3.567 4.947 1.00 0.00 C ATOM 201 O GLY A 83 -9.259 -3.522 3.947 1.00 0.00 O ATOM 0 H GLY A 83 -9.299 -1.030 4.401 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.176 -2.531 6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.302 -2.009 5.570 1.00 0.00 H new ATOM 205 N ASN A 84 -10.526 -4.692 5.392 1.00 0.00 N ATOM 206 CA ASN A 84 -10.316 -5.966 4.714 1.00 0.00 C ATOM 207 C ASN A 84 -8.834 -6.325 4.677 1.00 0.00 C ATOM 208 O ASN A 84 -8.272 -6.571 3.609 1.00 0.00 O ATOM 209 CB ASN A 84 -10.875 -5.908 3.291 1.00 0.00 C ATOM 210 CG ASN A 84 -11.371 -7.258 2.810 1.00 0.00 C ATOM 211 OD1 ASN A 84 -12.405 -7.750 3.263 1.00 0.00 O ATOM 212 ND2 ASN A 84 -10.634 -7.864 1.886 1.00 0.00 N ATOM 0 H ASN A 84 -11.121 -4.747 6.218 1.00 0.00 H new ATOM 0 HA ASN A 84 -10.844 -6.738 5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.693 -5.189 3.254 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -10.101 -5.546 2.614 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.918 -8.774 1.523 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.784 -7.419 1.539 1.00 0.00 H new ATOM 219 N ILE A 85 -8.207 -6.352 5.848 1.00 0.00 N ATOM 220 CA ILE A 85 -6.791 -6.683 5.949 1.00 0.00 C ATOM 221 C ILE A 85 -6.583 -8.191 6.033 1.00 0.00 C ATOM 222 O ILE A 85 -7.502 -8.937 6.371 1.00 0.00 O ATOM 223 CB ILE A 85 -6.144 -6.017 7.178 1.00 0.00 C ATOM 224 CG1 ILE A 85 -6.680 -4.595 7.357 1.00 0.00 C ATOM 225 CG2 ILE A 85 -4.629 -6.004 7.037 1.00 0.00 C ATOM 226 CD1 ILE A 85 -6.164 -3.620 6.322 1.00 0.00 C ATOM 0 H ILE A 85 -8.657 -6.149 6.740 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.313 -6.303 5.046 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.402 -6.596 8.064 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.769 -4.618 7.312 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.409 -4.236 8.350 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.186 -5.530 7.913 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.263 -7.027 6.954 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.352 -5.445 6.143 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.585 -2.633 6.510 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.077 -3.568 6.381 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.458 -3.956 5.327 1.00 0.00 H new ATOM 238 N SER A 86 -5.368 -8.633 5.725 1.00 0.00 N ATOM 239 CA SER A 86 -5.039 -10.054 5.763 1.00 0.00 C ATOM 240 C SER A 86 -4.537 -10.457 7.146 1.00 0.00 C ATOM 241 O SER A 86 -3.853 -9.698 7.833 1.00 0.00 O ATOM 242 CB SER A 86 -3.981 -10.382 4.708 1.00 0.00 C ATOM 243 OG SER A 86 -4.138 -11.705 4.224 1.00 0.00 O ATOM 0 H SER A 86 -4.595 -8.028 5.446 1.00 0.00 H new ATOM 0 HA SER A 86 -5.946 -10.619 5.545 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.057 -9.677 3.880 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.986 -10.264 5.137 1.00 0.00 H new ATOM 0 HG SER A 86 -3.265 -12.061 3.956 1.00 0.00 H new ATOM 249 N PRO A 87 -4.885 -11.683 7.566 1.00 0.00 N ATOM 250 CA PRO A 87 -4.480 -12.217 8.870 1.00 0.00 C ATOM 251 C PRO A 87 -2.985 -12.511 8.938 1.00 0.00 C ATOM 252 O PRO A 87 -2.456 -12.853 9.996 1.00 0.00 O ATOM 253 CB PRO A 87 -5.286 -13.513 8.988 1.00 0.00 C ATOM 254 CG PRO A 87 -5.557 -13.920 7.580 1.00 0.00 C ATOM 255 CD PRO A 87 -5.698 -12.642 6.800 1.00 0.00 C ATOM 0 HA PRO A 87 -4.666 -11.508 9.676 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.725 -14.281 9.521 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.213 -13.354 9.540 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -4.744 -14.530 7.187 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.465 -14.519 7.515 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -5.333 -12.752 5.779 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -6.739 -12.324 6.734 1.00 0.00 H new ATOM 263 N THR A 88 -2.308 -12.375 7.802 1.00 0.00 N ATOM 264 CA THR A 88 -0.874 -12.626 7.733 1.00 0.00 C ATOM 265 C THR A 88 -0.104 -11.342 7.443 1.00 0.00 C ATOM 266 O THR A 88 1.125 -11.348 7.368 1.00 0.00 O ATOM 267 CB THR A 88 -0.538 -13.668 6.649 1.00 0.00 C ATOM 268 OG1 THR A 88 -0.906 -13.168 5.358 1.00 0.00 O ATOM 269 CG2 THR A 88 -1.262 -14.979 6.916 1.00 0.00 C ATOM 0 H THR A 88 -2.730 -12.092 6.917 1.00 0.00 H new ATOM 0 HA THR A 88 -0.574 -13.014 8.706 1.00 0.00 H new ATOM 0 HB THR A 88 0.536 -13.853 6.674 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.688 -13.835 4.674 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.009 -15.699 6.138 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.958 -15.372 7.886 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.338 -14.807 6.916 1.00 0.00 H new ATOM 277 N CYS A 89 -0.834 -10.244 7.283 1.00 0.00 N ATOM 278 CA CYS A 89 -0.219 -8.952 7.002 1.00 0.00 C ATOM 279 C CYS A 89 0.601 -8.469 8.194 1.00 0.00 C ATOM 280 O CYS A 89 0.275 -8.761 9.345 1.00 0.00 O ATOM 281 CB CYS A 89 -1.291 -7.918 6.653 1.00 0.00 C ATOM 282 SG CYS A 89 -0.659 -6.235 6.459 1.00 0.00 S ATOM 0 H CYS A 89 -1.852 -10.223 7.343 1.00 0.00 H new ATOM 0 HA CYS A 89 0.449 -9.074 6.150 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -1.783 -8.219 5.728 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -2.051 -7.921 7.434 1.00 0.00 H new ATOM 0 HG CYS A 89 -0.501 -5.974 5.195 1.00 0.00 H new ATOM 288 N THR A 90 1.669 -7.729 7.911 1.00 0.00 N ATOM 289 CA THR A 90 2.537 -7.208 8.959 1.00 0.00 C ATOM 290 C THR A 90 2.735 -5.703 8.812 1.00 0.00 C ATOM 291 O THR A 90 2.441 -5.129 7.764 1.00 0.00 O ATOM 292 CB THR A 90 3.914 -7.899 8.943 1.00 0.00 C ATOM 293 OG1 THR A 90 4.915 -7.007 9.445 1.00 0.00 O ATOM 294 CG2 THR A 90 4.281 -8.341 7.534 1.00 0.00 C ATOM 0 H THR A 90 1.953 -7.477 6.964 1.00 0.00 H new ATOM 0 HA THR A 90 2.045 -7.416 9.909 1.00 0.00 H new ATOM 0 HB THR A 90 3.861 -8.781 9.581 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.787 -7.454 9.433 1.00 0.00 H new ATOM 0 HG21 THR A 90 5.257 -8.826 7.547 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.532 -9.042 7.166 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.317 -7.471 6.878 1.00 0.00 H new ATOM 302 N ASN A 91 3.235 -5.071 9.868 1.00 0.00 N ATOM 303 CA ASN A 91 3.472 -3.632 9.856 1.00 0.00 C ATOM 304 C ASN A 91 4.544 -3.266 8.834 1.00 0.00 C ATOM 305 O ASN A 91 4.409 -2.284 8.104 1.00 0.00 O ATOM 306 CB ASN A 91 3.892 -3.151 11.246 1.00 0.00 C ATOM 307 CG ASN A 91 2.703 -2.856 12.140 1.00 0.00 C ATOM 308 OD1 ASN A 91 2.299 -3.691 12.949 1.00 0.00 O ATOM 309 ND2 ASN A 91 2.137 -1.664 11.997 1.00 0.00 N ATOM 0 H ASN A 91 3.484 -5.532 10.743 1.00 0.00 H new ATOM 0 HA ASN A 91 2.542 -3.138 9.574 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.517 -3.910 11.716 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.501 -2.252 11.148 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.333 -1.409 12.571 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.506 -1.003 11.313 1.00 0.00 H new ATOM 316 N GLN A 92 5.607 -4.063 8.787 1.00 0.00 N ATOM 317 CA GLN A 92 6.701 -3.822 7.854 1.00 0.00 C ATOM 318 C GLN A 92 6.217 -3.916 6.411 1.00 0.00 C ATOM 319 O GLN A 92 6.858 -3.398 5.497 1.00 0.00 O ATOM 320 CB GLN A 92 7.831 -4.825 8.092 1.00 0.00 C ATOM 321 CG GLN A 92 8.868 -4.347 9.096 1.00 0.00 C ATOM 322 CD GLN A 92 10.004 -3.585 8.443 1.00 0.00 C ATOM 323 OE1 GLN A 92 10.376 -3.859 7.302 1.00 0.00 O ATOM 324 NE2 GLN A 92 10.562 -2.620 9.165 1.00 0.00 N ATOM 0 H GLN A 92 5.734 -4.880 9.384 1.00 0.00 H new ATOM 0 HA GLN A 92 7.077 -2.813 8.026 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.404 -5.764 8.443 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.325 -5.034 7.143 1.00 0.00 H new ATOM 0 HG2 GLN A 92 8.385 -3.708 9.835 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.272 -5.206 9.632 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.222 -2.426 10.107 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.330 -2.072 8.777 1.00 0.00 H new ATOM 333 N GLU A 93 5.083 -4.581 6.215 1.00 0.00 N ATOM 334 CA GLU A 93 4.514 -4.744 4.882 1.00 0.00 C ATOM 335 C GLU A 93 3.598 -3.574 4.535 1.00 0.00 C ATOM 336 O GLU A 93 3.805 -2.883 3.537 1.00 0.00 O ATOM 337 CB GLU A 93 3.738 -6.059 4.791 1.00 0.00 C ATOM 338 CG GLU A 93 4.588 -7.239 4.350 1.00 0.00 C ATOM 339 CD GLU A 93 4.596 -7.421 2.845 1.00 0.00 C ATOM 340 OE1 GLU A 93 4.393 -6.420 2.125 1.00 0.00 O ATOM 341 OE2 GLU A 93 4.805 -8.563 2.386 1.00 0.00 O ATOM 0 H GLU A 93 4.540 -5.015 6.962 1.00 0.00 H new ATOM 0 HA GLU A 93 5.335 -4.766 4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.301 -6.281 5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.912 -5.936 4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.610 -7.097 4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.213 -8.148 4.820 1.00 0.00 H new ATOM 348 N LEU A 94 2.584 -3.359 5.365 1.00 0.00 N ATOM 349 CA LEU A 94 1.634 -2.273 5.148 1.00 0.00 C ATOM 350 C LEU A 94 2.345 -0.924 5.123 1.00 0.00 C ATOM 351 O LEU A 94 2.226 -0.166 4.160 1.00 0.00 O ATOM 352 CB LEU A 94 0.564 -2.278 6.241 1.00 0.00 C ATOM 353 CG LEU A 94 -0.735 -1.541 5.912 1.00 0.00 C ATOM 354 CD1 LEU A 94 -1.344 -2.079 4.627 1.00 0.00 C ATOM 355 CD2 LEU A 94 -1.722 -1.660 7.064 1.00 0.00 C ATOM 0 H LEU A 94 2.398 -3.922 6.195 1.00 0.00 H new ATOM 0 HA LEU A 94 1.157 -2.429 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.321 -3.314 6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.991 -1.836 7.141 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.504 -0.486 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.267 -1.542 4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.641 -1.940 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.560 -3.141 4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.640 -1.130 6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.947 -2.711 7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.286 -1.224 7.963 1.00 0.00 H new ATOM 367 N ARG A 95 3.086 -0.632 6.187 1.00 0.00 N ATOM 368 CA ARG A 95 3.818 0.625 6.286 1.00 0.00 C ATOM 369 C ARG A 95 4.616 0.892 5.013 1.00 0.00 C ATOM 370 O ARG A 95 4.322 1.827 4.269 1.00 0.00 O ATOM 371 CB ARG A 95 4.757 0.599 7.494 1.00 0.00 C ATOM 372 CG ARG A 95 5.774 1.729 7.499 1.00 0.00 C ATOM 373 CD ARG A 95 6.649 1.684 8.742 1.00 0.00 C ATOM 374 NE ARG A 95 7.726 2.670 8.688 1.00 0.00 N ATOM 375 CZ ARG A 95 8.402 3.078 9.756 1.00 0.00 C ATOM 376 NH1 ARG A 95 8.114 2.588 10.954 1.00 0.00 N ATOM 377 NH2 ARG A 95 9.368 3.979 9.627 1.00 0.00 N ATOM 0 H ARG A 95 3.195 -1.249 6.992 1.00 0.00 H new ATOM 0 HA ARG A 95 3.093 1.429 6.415 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.163 0.652 8.406 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.285 -0.354 7.512 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.400 1.661 6.609 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.256 2.687 7.452 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.035 1.865 9.624 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.075 0.687 8.850 1.00 0.00 H new ATOM 0 HE ARG A 95 7.972 3.066 7.781 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.372 1.896 11.057 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.635 2.903 11.773 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.592 4.359 8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.887 4.292 10.448 1.00 0.00 H new ATOM 391 N ALA A 96 5.627 0.065 4.771 1.00 0.00 N ATOM 392 CA ALA A 96 6.466 0.211 3.588 1.00 0.00 C ATOM 393 C ALA A 96 5.635 0.595 2.369 1.00 0.00 C ATOM 394 O ALA A 96 5.932 1.575 1.685 1.00 0.00 O ATOM 395 CB ALA A 96 7.232 -1.077 3.322 1.00 0.00 C ATOM 0 H ALA A 96 5.885 -0.713 5.378 1.00 0.00 H new ATOM 0 HA ALA A 96 7.179 1.013 3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.854 -0.954 2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.864 -1.308 4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.527 -1.893 3.160 1.00 0.00 H new ATOM 401 N LYS A 97 4.592 -0.183 2.101 1.00 0.00 N ATOM 402 CA LYS A 97 3.716 0.076 0.964 1.00 0.00 C ATOM 403 C LYS A 97 3.233 1.522 0.967 1.00 0.00 C ATOM 404 O LYS A 97 3.154 2.163 -0.081 1.00 0.00 O ATOM 405 CB LYS A 97 2.516 -0.874 0.992 1.00 0.00 C ATOM 406 CG LYS A 97 1.361 -0.420 0.116 1.00 0.00 C ATOM 407 CD LYS A 97 0.115 -1.255 0.360 1.00 0.00 C ATOM 408 CE LYS A 97 0.069 -2.469 -0.555 1.00 0.00 C ATOM 409 NZ LYS A 97 0.170 -2.086 -1.991 1.00 0.00 N ATOM 0 H LYS A 97 4.332 -0.999 2.656 1.00 0.00 H new ATOM 0 HA LYS A 97 4.287 -0.096 0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.839 -1.864 0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 97 2.165 -0.973 2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.142 0.629 0.316 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.649 -0.492 -0.933 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.092 -1.581 1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.772 -0.643 0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.885 -3.146 -0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.860 -3.014 -0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.186 -2.944 -2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.650 -1.502 -2.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.044 -1.544 -2.145 1.00 0.00 H new ATOM 423 N PHE A 98 2.913 2.032 2.152 1.00 0.00 N ATOM 424 CA PHE A 98 2.438 3.404 2.291 1.00 0.00 C ATOM 425 C PHE A 98 3.604 4.388 2.266 1.00 0.00 C ATOM 426 O PHE A 98 3.445 5.543 1.873 1.00 0.00 O ATOM 427 CB PHE A 98 1.650 3.563 3.593 1.00 0.00 C ATOM 428 CG PHE A 98 0.199 3.198 3.464 1.00 0.00 C ATOM 429 CD1 PHE A 98 -0.732 4.138 3.051 1.00 0.00 C ATOM 430 CD2 PHE A 98 -0.235 1.915 3.755 1.00 0.00 C ATOM 431 CE1 PHE A 98 -2.068 3.805 2.932 1.00 0.00 C ATOM 432 CE2 PHE A 98 -1.570 1.575 3.637 1.00 0.00 C ATOM 433 CZ PHE A 98 -2.487 2.522 3.224 1.00 0.00 C ATOM 0 H PHE A 98 2.974 1.516 3.030 1.00 0.00 H new ATOM 0 HA PHE A 98 1.783 3.623 1.448 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.106 2.940 4.363 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.728 4.596 3.932 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.410 5.142 2.819 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.478 1.171 4.078 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.784 4.547 2.611 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.895 0.571 3.867 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.530 2.259 3.130 1.00 0.00 H new ATOM 443 N GLU A 99 4.774 3.920 2.688 1.00 0.00 N ATOM 444 CA GLU A 99 5.967 4.760 2.715 1.00 0.00 C ATOM 445 C GLU A 99 6.389 5.150 1.301 1.00 0.00 C ATOM 446 O GLU A 99 7.163 6.088 1.111 1.00 0.00 O ATOM 447 CB GLU A 99 7.114 4.032 3.419 1.00 0.00 C ATOM 448 CG GLU A 99 7.051 4.120 4.935 1.00 0.00 C ATOM 449 CD GLU A 99 8.347 3.696 5.598 1.00 0.00 C ATOM 450 OE1 GLU A 99 8.506 2.489 5.874 1.00 0.00 O ATOM 451 OE2 GLU A 99 9.203 4.573 5.841 1.00 0.00 O ATOM 0 H GLU A 99 4.922 2.965 3.016 1.00 0.00 H new ATOM 0 HA GLU A 99 5.729 5.668 3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.103 2.983 3.124 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.062 4.449 3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 99 6.816 5.144 5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.238 3.491 5.298 1.00 0.00 H new ATOM 458 N GLU A 100 5.875 4.423 0.314 1.00 0.00 N ATOM 459 CA GLU A 100 6.200 4.692 -1.081 1.00 0.00 C ATOM 460 C GLU A 100 5.722 6.082 -1.493 1.00 0.00 C ATOM 461 O GLU A 100 6.332 6.734 -2.341 1.00 0.00 O ATOM 462 CB GLU A 100 5.568 3.634 -1.989 1.00 0.00 C ATOM 463 CG GLU A 100 6.432 2.398 -2.175 1.00 0.00 C ATOM 464 CD GLU A 100 7.854 2.735 -2.579 1.00 0.00 C ATOM 465 OE1 GLU A 100 8.056 3.164 -3.735 1.00 0.00 O ATOM 466 OE2 GLU A 100 8.764 2.571 -1.740 1.00 0.00 O ATOM 0 H GLU A 100 5.232 3.644 0.455 1.00 0.00 H new ATOM 0 HA GLU A 100 7.284 4.652 -1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.607 3.336 -1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.367 4.077 -2.964 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.448 1.827 -1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.984 1.758 -2.935 1.00 0.00 H new ATOM 473 N TYR A 101 4.628 6.528 -0.887 1.00 0.00 N ATOM 474 CA TYR A 101 4.066 7.838 -1.192 1.00 0.00 C ATOM 475 C TYR A 101 4.746 8.928 -0.368 1.00 0.00 C ATOM 476 O TYR A 101 5.209 9.932 -0.907 1.00 0.00 O ATOM 477 CB TYR A 101 2.560 7.846 -0.923 1.00 0.00 C ATOM 478 CG TYR A 101 1.803 6.784 -1.689 1.00 0.00 C ATOM 479 CD1 TYR A 101 1.731 5.479 -1.219 1.00 0.00 C ATOM 480 CD2 TYR A 101 1.159 7.087 -2.882 1.00 0.00 C ATOM 481 CE1 TYR A 101 1.042 4.506 -1.916 1.00 0.00 C ATOM 482 CE2 TYR A 101 0.466 6.121 -3.585 1.00 0.00 C ATOM 483 CZ TYR A 101 0.411 4.832 -3.099 1.00 0.00 C ATOM 484 OH TYR A 101 -0.279 3.866 -3.795 1.00 0.00 O ATOM 0 H TYR A 101 4.113 6.002 -0.182 1.00 0.00 H new ATOM 0 HA TYR A 101 4.241 8.043 -2.248 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.389 7.704 0.144 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.158 8.825 -1.182 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.222 5.221 -0.293 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.201 8.095 -3.266 1.00 0.00 H new ATOM 0 HE1 TYR A 101 0.997 3.496 -1.537 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.030 6.374 -4.510 1.00 0.00 H new ATOM 0 HH TYR A 101 0.002 3.876 -4.734 1.00 0.00 H new ATOM 494 N GLY A 102 4.802 8.720 0.944 1.00 0.00 N ATOM 495 CA GLY A 102 5.427 9.692 1.823 1.00 0.00 C ATOM 496 C GLY A 102 5.989 9.059 3.080 1.00 0.00 C ATOM 497 O GLY A 102 5.782 7.876 3.352 1.00 0.00 O ATOM 0 H GLY A 102 4.426 7.896 1.414 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.228 10.200 1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.695 10.452 2.098 1.00 0.00 H new ATOM 501 N PRO A 103 6.721 9.857 3.873 1.00 0.00 N ATOM 502 CA PRO A 103 7.330 9.389 5.121 1.00 0.00 C ATOM 503 C PRO A 103 6.293 9.102 6.201 1.00 0.00 C ATOM 504 O PRO A 103 5.931 9.986 6.979 1.00 0.00 O ATOM 505 CB PRO A 103 8.227 10.557 5.538 1.00 0.00 C ATOM 506 CG PRO A 103 7.607 11.755 4.906 1.00 0.00 C ATOM 507 CD PRO A 103 7.008 11.277 3.612 1.00 0.00 C ATOM 0 HA PRO A 103 7.866 8.449 4.985 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.267 10.658 6.623 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.251 10.413 5.193 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.844 12.187 5.553 1.00 0.00 H new ATOM 0 HG3 PRO A 103 8.351 12.532 4.728 1.00 0.00 H new ATOM 0 HD2 PRO A 103 6.103 11.830 3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.700 11.401 2.779 1.00 0.00 H new ATOM 515 N VAL A 104 5.817 7.862 6.245 1.00 0.00 N ATOM 516 CA VAL A 104 4.822 7.459 7.231 1.00 0.00 C ATOM 517 C VAL A 104 5.262 7.836 8.641 1.00 0.00 C ATOM 518 O VAL A 104 6.457 7.923 8.927 1.00 0.00 O ATOM 519 CB VAL A 104 4.558 5.942 7.175 1.00 0.00 C ATOM 520 CG1 VAL A 104 3.614 5.523 8.292 1.00 0.00 C ATOM 521 CG2 VAL A 104 3.999 5.549 5.817 1.00 0.00 C ATOM 0 H VAL A 104 6.105 7.119 5.609 1.00 0.00 H new ATOM 0 HA VAL A 104 3.901 7.989 6.987 1.00 0.00 H new ATOM 0 HB VAL A 104 5.504 5.420 7.317 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.439 4.449 8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.059 5.769 9.256 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.666 6.051 8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 104 3.818 4.474 5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.062 6.078 5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 104 4.715 5.813 5.039 1.00 0.00 H new ATOM 531 N ILE A 105 4.289 8.057 9.519 1.00 0.00 N ATOM 532 CA ILE A 105 4.577 8.423 10.901 1.00 0.00 C ATOM 533 C ILE A 105 4.420 7.224 11.831 1.00 0.00 C ATOM 534 O ILE A 105 5.323 6.903 12.602 1.00 0.00 O ATOM 535 CB ILE A 105 3.656 9.558 11.386 1.00 0.00 C ATOM 536 CG1 ILE A 105 3.747 10.757 10.439 1.00 0.00 C ATOM 537 CG2 ILE A 105 4.022 9.968 12.804 1.00 0.00 C ATOM 538 CD1 ILE A 105 2.983 11.969 10.924 1.00 0.00 C ATOM 0 H ILE A 105 3.295 7.989 9.298 1.00 0.00 H new ATOM 0 HA ILE A 105 5.611 8.768 10.928 1.00 0.00 H new ATOM 0 HB ILE A 105 2.628 9.196 11.387 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.795 11.027 10.307 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.367 10.466 9.460 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.362 10.771 13.132 1.00 0.00 H new ATOM 0 HG22 ILE A 105 3.912 9.112 13.470 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.055 10.315 12.827 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.092 12.780 10.204 1.00 0.00 H new ATOM 0 HD12 ILE A 105 1.928 11.716 11.029 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.378 12.286 11.889 1.00 0.00 H new ATOM 550 N GLU A 106 3.268 6.566 11.750 1.00 0.00 N ATOM 551 CA GLU A 106 2.994 5.402 12.585 1.00 0.00 C ATOM 552 C GLU A 106 1.864 4.564 11.994 1.00 0.00 C ATOM 553 O GLU A 106 0.746 5.048 11.814 1.00 0.00 O ATOM 554 CB GLU A 106 2.630 5.839 14.005 1.00 0.00 C ATOM 555 CG GLU A 106 3.830 5.964 14.929 1.00 0.00 C ATOM 556 CD GLU A 106 3.441 5.948 16.395 1.00 0.00 C ATOM 557 OE1 GLU A 106 2.487 6.664 16.764 1.00 0.00 O ATOM 558 OE2 GLU A 106 4.091 5.218 17.173 1.00 0.00 O ATOM 0 H GLU A 106 2.510 6.819 11.116 1.00 0.00 H new ATOM 0 HA GLU A 106 3.896 4.792 12.621 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.115 6.799 13.960 1.00 0.00 H new ATOM 0 HB3 GLU A 106 1.929 5.120 14.429 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.523 5.146 14.732 1.00 0.00 H new ATOM 0 HG3 GLU A 106 4.360 6.891 14.707 1.00 0.00 H new ATOM 565 N CYS A 107 2.164 3.305 11.694 1.00 0.00 N ATOM 566 CA CYS A 107 1.175 2.398 11.123 1.00 0.00 C ATOM 567 C CYS A 107 0.743 1.350 12.144 1.00 0.00 C ATOM 568 O CYS A 107 1.556 0.863 12.929 1.00 0.00 O ATOM 569 CB CYS A 107 1.740 1.712 9.878 1.00 0.00 C ATOM 570 SG CYS A 107 0.650 0.457 9.167 1.00 0.00 S ATOM 0 H CYS A 107 3.084 2.889 11.837 1.00 0.00 H new ATOM 0 HA CYS A 107 0.301 2.985 10.841 1.00 0.00 H new ATOM 0 HB2 CYS A 107 1.947 2.469 9.121 1.00 0.00 H new ATOM 0 HB3 CYS A 107 2.693 1.248 10.133 1.00 0.00 H new ATOM 0 HG CYS A 107 0.986 0.241 7.930 1.00 0.00 H new ATOM 576 N ASP A 108 -0.541 1.011 12.128 1.00 0.00 N ATOM 577 CA ASP A 108 -1.081 0.021 13.053 1.00 0.00 C ATOM 578 C ASP A 108 -2.089 -0.885 12.352 1.00 0.00 C ATOM 579 O ASP A 108 -3.035 -0.408 11.725 1.00 0.00 O ATOM 580 CB ASP A 108 -1.743 0.714 14.245 1.00 0.00 C ATOM 581 CG ASP A 108 -0.770 0.969 15.380 1.00 0.00 C ATOM 582 OD1 ASP A 108 0.006 0.050 15.714 1.00 0.00 O ATOM 583 OD2 ASP A 108 -0.785 2.089 15.933 1.00 0.00 O ATOM 0 H ASP A 108 -1.227 1.407 11.485 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.255 -0.593 13.412 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.172 1.661 13.918 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.567 0.099 14.608 1.00 0.00 H new ATOM 588 N ILE A 109 -1.877 -2.192 12.462 1.00 0.00 N ATOM 589 CA ILE A 109 -2.767 -3.164 11.838 1.00 0.00 C ATOM 590 C ILE A 109 -3.853 -3.616 12.808 1.00 0.00 C ATOM 591 O ILE A 109 -3.695 -3.517 14.025 1.00 0.00 O ATOM 592 CB ILE A 109 -1.992 -4.399 11.342 1.00 0.00 C ATOM 593 CG1 ILE A 109 -1.134 -4.035 10.128 1.00 0.00 C ATOM 594 CG2 ILE A 109 -2.955 -5.525 10.998 1.00 0.00 C ATOM 595 CD1 ILE A 109 -0.005 -5.009 9.873 1.00 0.00 C ATOM 0 H ILE A 109 -1.098 -2.602 12.977 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.229 -2.667 10.984 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.333 -4.742 12.140 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.770 -3.989 9.244 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.718 -3.038 10.273 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.392 -6.391 10.649 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.528 -5.798 11.884 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.636 -5.195 10.214 1.00 0.00 H new ATOM 0 HD11 ILE A 109 0.561 -4.689 8.998 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.654 -5.038 10.741 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.415 -6.003 9.696 1.00 0.00 H new ATOM 607 N VAL A 110 -4.957 -4.115 12.261 1.00 0.00 N ATOM 608 CA VAL A 110 -6.070 -4.586 13.077 1.00 0.00 C ATOM 609 C VAL A 110 -6.677 -5.858 12.497 1.00 0.00 C ATOM 610 O VAL A 110 -6.305 -6.298 11.409 1.00 0.00 O ATOM 611 CB VAL A 110 -7.169 -3.514 13.199 1.00 0.00 C ATOM 612 CG1 VAL A 110 -8.054 -3.791 14.405 1.00 0.00 C ATOM 613 CG2 VAL A 110 -6.553 -2.126 13.287 1.00 0.00 C ATOM 0 H VAL A 110 -5.105 -4.204 11.256 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.669 -4.798 14.068 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.791 -3.554 12.305 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -8.825 -3.023 14.475 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.524 -4.768 14.294 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -7.448 -3.780 15.311 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.344 -1.381 13.373 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.906 -2.070 14.162 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.967 -1.931 12.389 1.00 0.00 H new ATOM 623 N LYS A 111 -7.616 -6.446 13.231 1.00 0.00 N ATOM 624 CA LYS A 111 -8.279 -7.668 12.790 1.00 0.00 C ATOM 625 C LYS A 111 -8.452 -7.677 11.274 1.00 0.00 C ATOM 626 O LYS A 111 -7.731 -8.376 10.562 1.00 0.00 O ATOM 627 CB LYS A 111 -9.642 -7.808 13.470 1.00 0.00 C ATOM 628 CG LYS A 111 -9.560 -8.317 14.899 1.00 0.00 C ATOM 629 CD LYS A 111 -10.701 -7.783 15.748 1.00 0.00 C ATOM 630 CE LYS A 111 -12.051 -8.251 15.226 1.00 0.00 C ATOM 631 NZ LYS A 111 -13.068 -8.330 16.312 1.00 0.00 N ATOM 0 H LYS A 111 -7.935 -6.096 14.134 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.651 -8.513 13.072 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.142 -6.839 13.466 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.262 -8.488 12.886 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.584 -9.407 14.900 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.608 -8.019 15.338 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.574 -8.113 16.779 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.671 -6.693 15.756 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.398 -7.567 14.452 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.941 -9.230 14.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -13.974 -8.652 15.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.749 -9.002 17.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -13.192 -7.390 16.740 1.00 0.00 H new ATOM 645 N ASP A 112 -9.410 -6.896 10.788 1.00 0.00 N ATOM 646 CA ASP A 112 -9.676 -6.811 9.357 1.00 0.00 C ATOM 647 C ASP A 112 -9.510 -5.380 8.857 1.00 0.00 C ATOM 648 O ASP A 112 -9.864 -5.063 7.721 1.00 0.00 O ATOM 649 CB ASP A 112 -11.087 -7.313 9.048 1.00 0.00 C ATOM 650 CG ASP A 112 -11.384 -8.647 9.704 1.00 0.00 C ATOM 651 OD1 ASP A 112 -11.589 -8.671 10.936 1.00 0.00 O ATOM 652 OD2 ASP A 112 -11.412 -9.667 8.985 1.00 0.00 O ATOM 0 H ASP A 112 -10.016 -6.312 11.365 1.00 0.00 H new ATOM 0 HA ASP A 112 -8.953 -7.443 8.840 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -11.814 -6.575 9.387 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -11.208 -7.407 7.969 1.00 0.00 H new ATOM 657 N TYR A 113 -8.972 -4.518 9.713 1.00 0.00 N ATOM 658 CA TYR A 113 -8.763 -3.119 9.359 1.00 0.00 C ATOM 659 C TYR A 113 -7.370 -2.655 9.774 1.00 0.00 C ATOM 660 O TYR A 113 -6.629 -3.386 10.430 1.00 0.00 O ATOM 661 CB TYR A 113 -9.824 -2.240 10.022 1.00 0.00 C ATOM 662 CG TYR A 113 -10.301 -2.767 11.357 1.00 0.00 C ATOM 663 CD1 TYR A 113 -10.957 -3.988 11.449 1.00 0.00 C ATOM 664 CD2 TYR A 113 -10.095 -2.045 12.525 1.00 0.00 C ATOM 665 CE1 TYR A 113 -11.395 -4.474 12.666 1.00 0.00 C ATOM 666 CE2 TYR A 113 -10.528 -2.524 13.747 1.00 0.00 C ATOM 667 CZ TYR A 113 -11.177 -3.739 13.812 1.00 0.00 C ATOM 668 OH TYR A 113 -11.611 -4.218 15.026 1.00 0.00 O ATOM 0 H TYR A 113 -8.673 -4.764 10.657 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.849 -3.027 8.276 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -9.418 -1.238 10.161 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -10.678 -2.148 9.351 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -11.128 -4.567 10.554 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.588 -1.093 12.478 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -11.905 -5.424 12.719 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -10.359 -1.950 14.646 1.00 0.00 H new ATOM 0 HH TYR A 113 -11.377 -3.580 15.732 1.00 0.00 H new ATOM 678 N ALA A 114 -7.022 -1.432 9.387 1.00 0.00 N ATOM 679 CA ALA A 114 -5.720 -0.867 9.720 1.00 0.00 C ATOM 680 C ALA A 114 -5.775 0.656 9.757 1.00 0.00 C ATOM 681 O ALA A 114 -6.781 1.260 9.383 1.00 0.00 O ATOM 682 CB ALA A 114 -4.671 -1.335 8.722 1.00 0.00 C ATOM 0 H ALA A 114 -7.623 -0.814 8.843 1.00 0.00 H new ATOM 0 HA ALA A 114 -5.443 -1.218 10.714 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -3.704 -0.906 8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.604 -2.423 8.748 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.953 -1.013 7.720 1.00 0.00 H new ATOM 688 N PHE A 115 -4.689 1.272 10.212 1.00 0.00 N ATOM 689 CA PHE A 115 -4.616 2.726 10.300 1.00 0.00 C ATOM 690 C PHE A 115 -3.194 3.215 10.038 1.00 0.00 C ATOM 691 O PHE A 115 -2.274 2.921 10.801 1.00 0.00 O ATOM 692 CB PHE A 115 -5.084 3.200 11.677 1.00 0.00 C ATOM 693 CG PHE A 115 -6.512 2.844 11.979 1.00 0.00 C ATOM 694 CD1 PHE A 115 -6.833 1.611 12.522 1.00 0.00 C ATOM 695 CD2 PHE A 115 -7.534 3.744 11.720 1.00 0.00 C ATOM 696 CE1 PHE A 115 -8.146 1.281 12.800 1.00 0.00 C ATOM 697 CE2 PHE A 115 -8.849 3.421 11.996 1.00 0.00 C ATOM 698 CZ PHE A 115 -9.155 2.188 12.538 1.00 0.00 C ATOM 0 H PHE A 115 -3.848 0.787 10.525 1.00 0.00 H new ATOM 0 HA PHE A 115 -5.273 3.144 9.537 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.440 2.765 12.441 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -4.966 4.282 11.740 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -6.048 0.899 12.731 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.300 4.710 11.297 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.383 0.315 13.222 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.636 4.131 11.788 1.00 0.00 H new ATOM 0 HZ PHE A 115 -10.181 1.933 12.757 1.00 0.00 H new ATOM 708 N VAL A 116 -3.023 3.964 8.953 1.00 0.00 N ATOM 709 CA VAL A 116 -1.714 4.495 8.590 1.00 0.00 C ATOM 710 C VAL A 116 -1.645 5.999 8.831 1.00 0.00 C ATOM 711 O VAL A 116 -2.275 6.782 8.120 1.00 0.00 O ATOM 712 CB VAL A 116 -1.382 4.207 7.113 1.00 0.00 C ATOM 713 CG1 VAL A 116 -0.031 4.800 6.745 1.00 0.00 C ATOM 714 CG2 VAL A 116 -1.409 2.711 6.843 1.00 0.00 C ATOM 0 H VAL A 116 -3.774 4.217 8.311 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.982 3.995 9.224 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.141 4.679 6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.187 4.587 5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.053 5.879 6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 116 0.743 4.360 7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.172 2.526 5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.673 2.214 7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -2.401 2.319 7.065 1.00 0.00 H new ATOM 724 N HIS A 117 -0.875 6.396 9.839 1.00 0.00 N ATOM 725 CA HIS A 117 -0.722 7.807 10.175 1.00 0.00 C ATOM 726 C HIS A 117 0.315 8.470 9.273 1.00 0.00 C ATOM 727 O HIS A 117 1.515 8.239 9.417 1.00 0.00 O ATOM 728 CB HIS A 117 -0.316 7.963 11.640 1.00 0.00 C ATOM 729 CG HIS A 117 -0.806 9.233 12.266 1.00 0.00 C ATOM 730 ND1 HIS A 117 -1.700 9.258 13.315 1.00 0.00 N ATOM 731 CD2 HIS A 117 -0.521 10.526 11.986 1.00 0.00 C ATOM 732 CE1 HIS A 117 -1.945 10.512 13.652 1.00 0.00 C ATOM 733 NE2 HIS A 117 -1.241 11.301 12.861 1.00 0.00 N ATOM 0 H HIS A 117 -0.347 5.760 10.437 1.00 0.00 H new ATOM 0 HA HIS A 117 -1.682 8.299 10.018 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -0.701 7.116 12.207 1.00 0.00 H new ATOM 0 HB3 HIS A 117 0.771 7.928 11.713 1.00 0.00 H new ATOM 0 HD2 HIS A 117 0.149 10.882 11.217 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -2.608 10.836 14.440 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -1.233 12.320 12.895 1.00 0.00 H new ATOM 742 N MET A 118 -0.157 9.295 8.344 1.00 0.00 N ATOM 743 CA MET A 118 0.729 9.992 7.420 1.00 0.00 C ATOM 744 C MET A 118 1.134 11.353 7.977 1.00 0.00 C ATOM 745 O MET A 118 0.496 11.874 8.891 1.00 0.00 O ATOM 746 CB MET A 118 0.050 10.166 6.060 1.00 0.00 C ATOM 747 CG MET A 118 0.307 9.015 5.101 1.00 0.00 C ATOM 748 SD MET A 118 2.063 8.738 4.803 1.00 0.00 S ATOM 749 CE MET A 118 2.033 8.169 3.105 1.00 0.00 C ATOM 0 H MET A 118 -1.148 9.497 8.211 1.00 0.00 H new ATOM 0 HA MET A 118 1.628 9.388 7.294 1.00 0.00 H new ATOM 0 HB2 MET A 118 -1.025 10.270 6.210 1.00 0.00 H new ATOM 0 HB3 MET A 118 0.399 11.093 5.605 1.00 0.00 H new ATOM 0 HG2 MET A 118 -0.137 8.105 5.505 1.00 0.00 H new ATOM 0 HG3 MET A 118 -0.191 9.219 4.153 1.00 0.00 H new ATOM 0 HE1 MET A 118 3.043 8.193 2.695 1.00 0.00 H new ATOM 0 HE2 MET A 118 1.651 7.149 3.070 1.00 0.00 H new ATOM 0 HE3 MET A 118 1.387 8.819 2.515 1.00 0.00 H new ATOM 759 N GLU A 119 2.198 11.923 7.420 1.00 0.00 N ATOM 760 CA GLU A 119 2.688 13.223 7.863 1.00 0.00 C ATOM 761 C GLU A 119 2.053 14.349 7.051 1.00 0.00 C ATOM 762 O GLU A 119 1.434 15.256 7.607 1.00 0.00 O ATOM 763 CB GLU A 119 4.211 13.288 7.741 1.00 0.00 C ATOM 764 CG GLU A 119 4.806 14.597 8.233 1.00 0.00 C ATOM 765 CD GLU A 119 4.896 14.666 9.745 1.00 0.00 C ATOM 766 OE1 GLU A 119 5.772 13.987 10.319 1.00 0.00 O ATOM 767 OE2 GLU A 119 4.089 15.400 10.354 1.00 0.00 O ATOM 0 H GLU A 119 2.737 11.505 6.661 1.00 0.00 H new ATOM 0 HA GLU A 119 2.409 13.350 8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.648 12.465 8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.490 13.141 6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 119 5.802 14.722 7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.199 15.426 7.871 1.00 0.00 H new ATOM 774 N ARG A 120 2.212 14.283 5.734 1.00 0.00 N ATOM 775 CA ARG A 120 1.657 15.296 4.845 1.00 0.00 C ATOM 776 C ARG A 120 0.374 14.798 4.187 1.00 0.00 C ATOM 777 O ARG A 120 0.105 13.598 4.158 1.00 0.00 O ATOM 778 CB ARG A 120 2.678 15.678 3.772 1.00 0.00 C ATOM 779 CG ARG A 120 3.968 16.251 4.335 1.00 0.00 C ATOM 780 CD ARG A 120 4.859 16.806 3.234 1.00 0.00 C ATOM 781 NE ARG A 120 5.865 17.727 3.756 1.00 0.00 N ATOM 782 CZ ARG A 120 6.893 17.345 4.506 1.00 0.00 C ATOM 783 NH1 ARG A 120 7.049 16.066 4.820 1.00 0.00 N ATOM 784 NH2 ARG A 120 7.767 18.242 4.943 1.00 0.00 N ATOM 0 H ARG A 120 2.721 13.538 5.258 1.00 0.00 H new ATOM 0 HA ARG A 120 1.420 16.177 5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 120 2.912 14.797 3.175 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.229 16.409 3.099 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.735 17.041 5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.504 15.475 4.882 1.00 0.00 H new ATOM 0 HD2 ARG A 120 5.354 15.983 2.719 1.00 0.00 H new ATOM 0 HD3 ARG A 120 4.245 17.321 2.496 1.00 0.00 H new ATOM 0 HE ARG A 120 5.773 18.718 3.533 1.00 0.00 H new ATOM 0 HH11 ARG A 120 6.379 15.373 4.486 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.839 15.775 5.396 1.00 0.00 H new ATOM 0 HH21 ARG A 120 7.650 19.227 4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 120 8.556 17.947 5.519 1.00 0.00 H new ATOM 798 N ALA A 121 -0.415 15.729 3.661 1.00 0.00 N ATOM 799 CA ALA A 121 -1.669 15.385 3.002 1.00 0.00 C ATOM 800 C ALA A 121 -1.421 14.845 1.598 1.00 0.00 C ATOM 801 O ALA A 121 -1.913 13.775 1.240 1.00 0.00 O ATOM 802 CB ALA A 121 -2.587 16.597 2.949 1.00 0.00 C ATOM 0 H ALA A 121 -0.208 16.728 3.678 1.00 0.00 H new ATOM 0 HA ALA A 121 -2.154 14.601 3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.520 16.326 2.454 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.799 16.937 3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.101 17.398 2.392 1.00 0.00 H new ATOM 808 N GLU A 122 -0.657 15.592 0.807 1.00 0.00 N ATOM 809 CA GLU A 122 -0.346 15.186 -0.558 1.00 0.00 C ATOM 810 C GLU A 122 0.090 13.725 -0.607 1.00 0.00 C ATOM 811 O GLU A 122 -0.072 13.051 -1.624 1.00 0.00 O ATOM 812 CB GLU A 122 0.753 16.077 -1.141 1.00 0.00 C ATOM 813 CG GLU A 122 0.428 17.560 -1.085 1.00 0.00 C ATOM 814 CD GLU A 122 1.207 18.367 -2.106 1.00 0.00 C ATOM 815 OE1 GLU A 122 2.425 18.132 -2.245 1.00 0.00 O ATOM 816 OE2 GLU A 122 0.596 19.234 -2.767 1.00 0.00 O ATOM 0 H GLU A 122 -0.243 16.481 1.088 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.250 15.297 -1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 122 1.681 15.896 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.929 15.791 -2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -0.640 17.701 -1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 122 0.645 17.938 -0.086 1.00 0.00 H new ATOM 823 N ASP A 123 0.643 13.242 0.500 1.00 0.00 N ATOM 824 CA ASP A 123 1.102 11.860 0.586 1.00 0.00 C ATOM 825 C ASP A 123 -0.031 10.938 1.024 1.00 0.00 C ATOM 826 O ASP A 123 -0.179 9.831 0.506 1.00 0.00 O ATOM 827 CB ASP A 123 2.274 11.749 1.563 1.00 0.00 C ATOM 828 CG ASP A 123 3.534 12.405 1.033 1.00 0.00 C ATOM 829 OD1 ASP A 123 4.009 11.990 -0.045 1.00 0.00 O ATOM 830 OD2 ASP A 123 4.045 13.331 1.696 1.00 0.00 O ATOM 0 H ASP A 123 0.784 13.787 1.351 1.00 0.00 H new ATOM 0 HA ASP A 123 1.435 11.551 -0.405 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.998 12.211 2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.474 10.697 1.768 1.00 0.00 H new ATOM 835 N ALA A 124 -0.827 11.400 1.982 1.00 0.00 N ATOM 836 CA ALA A 124 -1.947 10.617 2.489 1.00 0.00 C ATOM 837 C ALA A 124 -3.012 10.422 1.415 1.00 0.00 C ATOM 838 O ALA A 124 -3.426 9.298 1.134 1.00 0.00 O ATOM 839 CB ALA A 124 -2.548 11.288 3.716 1.00 0.00 C ATOM 0 H ALA A 124 -0.717 12.313 2.423 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.571 9.634 2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.383 10.692 4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.789 11.369 4.495 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.902 12.284 3.449 1.00 0.00 H new ATOM 845 N VAL A 125 -3.452 11.526 0.818 1.00 0.00 N ATOM 846 CA VAL A 125 -4.469 11.476 -0.226 1.00 0.00 C ATOM 847 C VAL A 125 -4.051 10.542 -1.356 1.00 0.00 C ATOM 848 O VAL A 125 -4.836 9.707 -1.805 1.00 0.00 O ATOM 849 CB VAL A 125 -4.745 12.876 -0.807 1.00 0.00 C ATOM 850 CG1 VAL A 125 -5.730 12.789 -1.963 1.00 0.00 C ATOM 851 CG2 VAL A 125 -5.263 13.809 0.277 1.00 0.00 C ATOM 0 H VAL A 125 -3.120 12.465 1.039 1.00 0.00 H new ATOM 0 HA VAL A 125 -5.380 11.096 0.237 1.00 0.00 H new ATOM 0 HB VAL A 125 -3.809 13.284 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -5.913 13.787 -2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -5.315 12.156 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -6.668 12.361 -1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -5.453 14.794 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -6.189 13.408 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -4.519 13.895 1.069 1.00 0.00 H new ATOM 861 N GLU A 126 -2.811 10.689 -1.810 1.00 0.00 N ATOM 862 CA GLU A 126 -2.289 9.858 -2.889 1.00 0.00 C ATOM 863 C GLU A 126 -2.214 8.395 -2.460 1.00 0.00 C ATOM 864 O GLU A 126 -2.711 7.508 -3.153 1.00 0.00 O ATOM 865 CB GLU A 126 -0.904 10.347 -3.316 1.00 0.00 C ATOM 866 CG GLU A 126 -0.945 11.481 -4.327 1.00 0.00 C ATOM 867 CD GLU A 126 -1.310 11.007 -5.721 1.00 0.00 C ATOM 868 OE1 GLU A 126 -2.514 10.795 -5.978 1.00 0.00 O ATOM 869 OE2 GLU A 126 -0.393 10.849 -6.553 1.00 0.00 O ATOM 0 H GLU A 126 -2.149 11.375 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 126 -2.970 9.937 -3.736 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -0.356 10.678 -2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.348 9.512 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.668 12.228 -4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.028 11.971 -4.357 1.00 0.00 H new ATOM 876 N ALA A 127 -1.588 8.152 -1.313 1.00 0.00 N ATOM 877 CA ALA A 127 -1.448 6.798 -0.791 1.00 0.00 C ATOM 878 C ALA A 127 -2.750 6.018 -0.934 1.00 0.00 C ATOM 879 O ALA A 127 -2.739 4.793 -1.062 1.00 0.00 O ATOM 880 CB ALA A 127 -1.010 6.837 0.665 1.00 0.00 C ATOM 0 H ALA A 127 -1.170 8.875 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.683 6.286 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -0.909 5.819 1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -0.051 7.349 0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -1.755 7.370 1.255 1.00 0.00 H new ATOM 886 N ILE A 128 -3.869 6.733 -0.910 1.00 0.00 N ATOM 887 CA ILE A 128 -5.179 6.106 -1.037 1.00 0.00 C ATOM 888 C ILE A 128 -5.510 5.816 -2.497 1.00 0.00 C ATOM 889 O ILE A 128 -5.692 4.662 -2.885 1.00 0.00 O ATOM 890 CB ILE A 128 -6.287 6.992 -0.438 1.00 0.00 C ATOM 891 CG1 ILE A 128 -6.174 7.025 1.088 1.00 0.00 C ATOM 892 CG2 ILE A 128 -7.657 6.485 -0.862 1.00 0.00 C ATOM 893 CD1 ILE A 128 -6.919 8.178 1.724 1.00 0.00 C ATOM 0 H ILE A 128 -3.895 7.747 -0.804 1.00 0.00 H new ATOM 0 HA ILE A 128 -5.135 5.168 -0.483 1.00 0.00 H new ATOM 0 HB ILE A 128 -6.164 8.007 -0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.557 6.088 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -5.122 7.086 1.365 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -8.430 7.121 -0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -7.733 6.508 -1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -7.791 5.462 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -6.795 8.138 2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -6.521 9.120 1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -7.978 8.107 1.477 1.00 0.00 H new ATOM 905 N ARG A 129 -5.584 6.870 -3.303 1.00 0.00 N ATOM 906 CA ARG A 129 -5.892 6.728 -4.721 1.00 0.00 C ATOM 907 C ARG A 129 -4.999 5.674 -5.368 1.00 0.00 C ATOM 908 O ARG A 129 -5.301 5.170 -6.449 1.00 0.00 O ATOM 909 CB ARG A 129 -5.720 8.069 -5.438 1.00 0.00 C ATOM 910 CG ARG A 129 -6.649 8.245 -6.629 1.00 0.00 C ATOM 911 CD ARG A 129 -6.603 9.668 -7.164 1.00 0.00 C ATOM 912 NE ARG A 129 -7.351 9.808 -8.411 1.00 0.00 N ATOM 913 CZ ARG A 129 -7.684 10.979 -8.941 1.00 0.00 C ATOM 914 NH1 ARG A 129 -7.336 12.107 -8.336 1.00 0.00 N ATOM 915 NH2 ARG A 129 -8.365 11.025 -10.078 1.00 0.00 N ATOM 0 H ARG A 129 -5.435 7.832 -2.998 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.929 6.405 -4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.896 8.877 -4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -4.688 8.161 -5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.366 7.549 -7.419 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.669 7.998 -6.336 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -7.012 10.349 -6.418 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -5.566 9.960 -7.329 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.633 8.959 -8.902 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -6.811 12.076 -7.462 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -7.593 13.005 -8.745 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -8.634 10.160 -10.547 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -8.620 11.925 -10.484 1.00 0.00 H new ATOM 929 N GLY A 130 -3.898 5.346 -4.699 1.00 0.00 N ATOM 930 CA GLY A 130 -2.978 4.355 -5.225 1.00 0.00 C ATOM 931 C GLY A 130 -3.174 2.990 -4.595 1.00 0.00 C ATOM 932 O GLY A 130 -3.170 1.972 -5.288 1.00 0.00 O ATOM 0 H GLY A 130 -3.627 5.749 -3.802 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -3.111 4.276 -6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -1.954 4.687 -5.054 1.00 0.00 H new ATOM 936 N LEU A 131 -3.344 2.968 -3.278 1.00 0.00 N ATOM 937 CA LEU A 131 -3.541 1.717 -2.553 1.00 0.00 C ATOM 938 C LEU A 131 -5.026 1.421 -2.371 1.00 0.00 C ATOM 939 O LEU A 131 -5.400 0.463 -1.695 1.00 0.00 O ATOM 940 CB LEU A 131 -2.851 1.781 -1.189 1.00 0.00 C ATOM 941 CG LEU A 131 -1.390 2.232 -1.196 1.00 0.00 C ATOM 942 CD1 LEU A 131 -0.853 2.323 0.224 1.00 0.00 C ATOM 943 CD2 LEU A 131 -0.542 1.282 -2.030 1.00 0.00 C ATOM 0 H LEU A 131 -3.349 3.802 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.098 0.912 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.416 2.459 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -2.903 0.793 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 131 -1.338 3.223 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.188 2.645 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.443 3.044 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -0.919 1.345 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.495 1.619 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.600 0.278 -1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.913 1.268 -3.055 1.00 0.00 H new ATOM 955 N ASP A 132 -5.868 2.248 -2.981 1.00 0.00 N ATOM 956 CA ASP A 132 -7.313 2.073 -2.890 1.00 0.00 C ATOM 957 C ASP A 132 -7.772 0.893 -3.740 1.00 0.00 C ATOM 958 O ASP A 132 -7.593 0.886 -4.957 1.00 0.00 O ATOM 959 CB ASP A 132 -8.031 3.348 -3.333 1.00 0.00 C ATOM 960 CG ASP A 132 -7.609 3.799 -4.718 1.00 0.00 C ATOM 961 OD1 ASP A 132 -6.443 3.555 -5.091 1.00 0.00 O ATOM 962 OD2 ASP A 132 -8.446 4.396 -5.429 1.00 0.00 O ATOM 0 H ASP A 132 -5.575 3.046 -3.544 1.00 0.00 H new ATOM 0 HA ASP A 132 -7.565 1.867 -1.850 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -9.108 3.178 -3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -7.827 4.144 -2.617 1.00 0.00 H new ATOM 967 N ASN A 133 -8.365 -0.103 -3.090 1.00 0.00 N ATOM 968 CA ASN A 133 -8.848 -1.290 -3.787 1.00 0.00 C ATOM 969 C ASN A 133 -7.694 -2.052 -4.429 1.00 0.00 C ATOM 970 O ASN A 133 -7.748 -2.408 -5.607 1.00 0.00 O ATOM 971 CB ASN A 133 -9.872 -0.898 -4.855 1.00 0.00 C ATOM 972 CG ASN A 133 -11.092 -0.219 -4.264 1.00 0.00 C ATOM 973 OD1 ASN A 133 -11.669 -0.695 -3.287 1.00 0.00 O ATOM 974 ND2 ASN A 133 -11.492 0.900 -4.857 1.00 0.00 N ATOM 0 H ASN A 133 -8.523 -0.112 -2.082 1.00 0.00 H new ATOM 0 HA ASN A 133 -9.326 -1.941 -3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 133 -9.402 -0.230 -5.577 1.00 0.00 H new ATOM 0 HB3 ASN A 133 -10.184 -1.789 -5.400 1.00 0.00 H new ATOM 0 HD21 ASN A 133 -12.308 1.401 -4.504 1.00 0.00 H new ATOM 0 HD22 ASN A 133 -10.983 1.259 -5.665 1.00 0.00 H new ATOM 981 N THR A 134 -6.648 -2.301 -3.646 1.00 0.00 N ATOM 982 CA THR A 134 -5.480 -3.021 -4.138 1.00 0.00 C ATOM 983 C THR A 134 -5.340 -4.375 -3.452 1.00 0.00 C ATOM 984 O THR A 134 -5.211 -4.451 -2.230 1.00 0.00 O ATOM 985 CB THR A 134 -4.188 -2.211 -3.919 1.00 0.00 C ATOM 986 OG1 THR A 134 -4.098 -1.793 -2.552 1.00 0.00 O ATOM 987 CG2 THR A 134 -4.152 -0.994 -4.830 1.00 0.00 C ATOM 0 H THR A 134 -6.586 -2.015 -2.669 1.00 0.00 H new ATOM 0 HA THR A 134 -5.629 -3.172 -5.207 1.00 0.00 H new ATOM 0 HB THR A 134 -3.339 -2.850 -4.160 1.00 0.00 H new ATOM 0 HG1 THR A 134 -4.741 -1.072 -2.387 1.00 0.00 H new ATOM 0 HG21 THR A 134 -3.231 -0.438 -4.658 1.00 0.00 H new ATOM 0 HG22 THR A 134 -4.192 -1.317 -5.870 1.00 0.00 H new ATOM 0 HG23 THR A 134 -5.008 -0.354 -4.616 1.00 0.00 H new ATOM 995 N GLU A 135 -5.365 -5.441 -4.245 1.00 0.00 N ATOM 996 CA GLU A 135 -5.241 -6.793 -3.713 1.00 0.00 C ATOM 997 C GLU A 135 -4.050 -6.896 -2.764 1.00 0.00 C ATOM 998 O GLU A 135 -2.898 -6.933 -3.197 1.00 0.00 O ATOM 999 CB GLU A 135 -5.087 -7.802 -4.852 1.00 0.00 C ATOM 1000 CG GLU A 135 -5.083 -9.249 -4.388 1.00 0.00 C ATOM 1001 CD GLU A 135 -4.756 -10.220 -5.506 1.00 0.00 C ATOM 1002 OE1 GLU A 135 -5.478 -10.215 -6.525 1.00 0.00 O ATOM 1003 OE2 GLU A 135 -3.779 -10.983 -5.362 1.00 0.00 O ATOM 0 H GLU A 135 -5.470 -5.395 -5.259 1.00 0.00 H new ATOM 0 HA GLU A 135 -6.150 -7.021 -3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -5.900 -7.660 -5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -4.158 -7.597 -5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -4.355 -9.367 -3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -6.060 -9.496 -3.972 1.00 0.00 H new ATOM 1010 N PHE A 136 -4.336 -6.941 -1.467 1.00 0.00 N ATOM 1011 CA PHE A 136 -3.290 -7.038 -0.456 1.00 0.00 C ATOM 1012 C PHE A 136 -3.223 -8.448 0.124 1.00 0.00 C ATOM 1013 O PHE A 136 -4.202 -8.951 0.674 1.00 0.00 O ATOM 1014 CB PHE A 136 -3.539 -6.026 0.665 1.00 0.00 C ATOM 1015 CG PHE A 136 -2.334 -5.778 1.526 1.00 0.00 C ATOM 1016 CD1 PHE A 136 -1.796 -6.795 2.298 1.00 0.00 C ATOM 1017 CD2 PHE A 136 -1.739 -4.527 1.564 1.00 0.00 C ATOM 1018 CE1 PHE A 136 -0.687 -6.570 3.092 1.00 0.00 C ATOM 1019 CE2 PHE A 136 -0.629 -4.296 2.356 1.00 0.00 C ATOM 1020 CZ PHE A 136 -0.103 -5.318 3.121 1.00 0.00 C ATOM 0 H PHE A 136 -5.284 -6.912 -1.091 1.00 0.00 H new ATOM 0 HA PHE A 136 -2.336 -6.814 -0.934 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.863 -5.082 0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -4.356 -6.383 1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -2.249 -7.775 2.279 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -2.147 -3.723 0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -0.278 -7.372 3.689 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -0.174 -3.317 2.376 1.00 0.00 H new ATOM 0 HZ PHE A 136 0.763 -5.139 3.741 1.00 0.00 H new ATOM 1030 N GLN A 137 -2.061 -9.080 -0.006 1.00 0.00 N ATOM 1031 CA GLN A 137 -1.866 -10.433 0.503 1.00 0.00 C ATOM 1032 C GLN A 137 -2.957 -11.368 -0.006 1.00 0.00 C ATOM 1033 O GLN A 137 -3.265 -12.380 0.623 1.00 0.00 O ATOM 1034 CB GLN A 137 -1.855 -10.428 2.033 1.00 0.00 C ATOM 1035 CG GLN A 137 -0.719 -9.614 2.631 1.00 0.00 C ATOM 1036 CD GLN A 137 0.538 -10.435 2.841 1.00 0.00 C ATOM 1037 OE1 GLN A 137 0.691 -11.515 2.271 1.00 0.00 O ATOM 1038 NE2 GLN A 137 1.448 -9.924 3.663 1.00 0.00 N ATOM 0 H GLN A 137 -1.241 -8.677 -0.459 1.00 0.00 H new ATOM 0 HA GLN A 137 -0.904 -10.796 0.141 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -2.804 -10.031 2.393 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -1.782 -11.455 2.391 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -0.494 -8.774 1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -1.039 -9.196 3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 137 1.280 -9.025 4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 137 2.315 -10.431 3.843 1.00 0.00 H new ATOM 1047 N GLY A 138 -3.539 -11.023 -1.151 1.00 0.00 N ATOM 1048 CA GLY A 138 -4.590 -11.843 -1.725 1.00 0.00 C ATOM 1049 C GLY A 138 -5.948 -11.170 -1.666 1.00 0.00 C ATOM 1050 O GLY A 138 -6.712 -11.210 -2.631 1.00 0.00 O ATOM 0 H GLY A 138 -3.301 -10.191 -1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.345 -12.069 -2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.636 -12.794 -1.194 1.00 0.00 H new ATOM 1054 N LYS A 139 -6.251 -10.552 -0.530 1.00 0.00 N ATOM 1055 CA LYS A 139 -7.525 -9.868 -0.346 1.00 0.00 C ATOM 1056 C LYS A 139 -7.365 -8.362 -0.524 1.00 0.00 C ATOM 1057 O LYS A 139 -6.453 -7.755 0.038 1.00 0.00 O ATOM 1058 CB LYS A 139 -8.095 -10.171 1.041 1.00 0.00 C ATOM 1059 CG LYS A 139 -7.086 -10.003 2.163 1.00 0.00 C ATOM 1060 CD LYS A 139 -7.743 -10.126 3.528 1.00 0.00 C ATOM 1061 CE LYS A 139 -7.924 -11.581 3.931 1.00 0.00 C ATOM 1062 NZ LYS A 139 -8.990 -11.744 4.958 1.00 0.00 N ATOM 0 H LYS A 139 -5.630 -10.511 0.278 1.00 0.00 H new ATOM 0 HA LYS A 139 -8.218 -10.234 -1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -8.945 -9.514 1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -8.473 -11.193 1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -6.304 -10.756 2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -6.604 -9.029 2.077 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -7.134 -9.614 4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.713 -9.629 3.512 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -8.174 -12.173 3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -6.983 -11.970 4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -9.082 -12.750 5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -8.739 -11.200 5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -9.894 -11.397 4.578 1.00 0.00 H new ATOM 1076 N ARG A 140 -8.257 -7.764 -1.307 1.00 0.00 N ATOM 1077 CA ARG A 140 -8.214 -6.329 -1.558 1.00 0.00 C ATOM 1078 C ARG A 140 -8.699 -5.549 -0.339 1.00 0.00 C ATOM 1079 O ARG A 140 -9.678 -5.928 0.303 1.00 0.00 O ATOM 1080 CB ARG A 140 -9.070 -5.976 -2.775 1.00 0.00 C ATOM 1081 CG ARG A 140 -9.309 -4.484 -2.940 1.00 0.00 C ATOM 1082 CD ARG A 140 -10.518 -4.208 -3.821 1.00 0.00 C ATOM 1083 NE ARG A 140 -10.295 -4.625 -5.202 1.00 0.00 N ATOM 1084 CZ ARG A 140 -11.221 -4.547 -6.152 1.00 0.00 C ATOM 1085 NH1 ARG A 140 -12.426 -4.069 -5.870 1.00 0.00 N ATOM 1086 NH2 ARG A 140 -10.943 -4.946 -7.386 1.00 0.00 N ATOM 0 H ARG A 140 -9.019 -8.252 -1.779 1.00 0.00 H new ATOM 0 HA ARG A 140 -7.179 -6.052 -1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -8.585 -6.359 -3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -10.032 -6.482 -2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.459 -4.028 -1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.425 -4.019 -3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -11.386 -4.731 -3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -10.749 -3.143 -3.797 1.00 0.00 H new ATOM 0 HE ARG A 140 -9.378 -4.997 -5.451 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -12.643 -3.760 -4.922 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -13.135 -4.010 -6.601 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -10.017 -5.313 -7.607 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -11.655 -4.886 -8.114 1.00 0.00 H new ATOM 1100 N MET A 141 -8.006 -4.459 -0.026 1.00 0.00 N ATOM 1101 CA MET A 141 -8.367 -3.626 1.115 1.00 0.00 C ATOM 1102 C MET A 141 -8.801 -2.237 0.659 1.00 0.00 C ATOM 1103 O MET A 141 -8.336 -1.735 -0.365 1.00 0.00 O ATOM 1104 CB MET A 141 -7.188 -3.512 2.084 1.00 0.00 C ATOM 1105 CG MET A 141 -5.848 -3.321 1.391 1.00 0.00 C ATOM 1106 SD MET A 141 -5.684 -1.694 0.633 1.00 0.00 S ATOM 1107 CE MET A 141 -4.027 -1.247 1.145 1.00 0.00 C ATOM 0 H MET A 141 -7.192 -4.132 -0.546 1.00 0.00 H new ATOM 0 HA MET A 141 -9.205 -4.099 1.627 1.00 0.00 H new ATOM 0 HB2 MET A 141 -7.362 -2.673 2.758 1.00 0.00 H new ATOM 0 HB3 MET A 141 -7.145 -4.411 2.699 1.00 0.00 H new ATOM 0 HG2 MET A 141 -5.046 -3.463 2.115 1.00 0.00 H new ATOM 0 HG3 MET A 141 -5.726 -4.088 0.626 1.00 0.00 H new ATOM 0 HE1 MET A 141 -4.074 -0.407 1.838 1.00 0.00 H new ATOM 0 HE2 MET A 141 -3.557 -2.098 1.638 1.00 0.00 H new ATOM 0 HE3 MET A 141 -3.440 -0.964 0.271 1.00 0.00 H new ATOM 1117 N HIS A 142 -9.696 -1.620 1.425 1.00 0.00 N ATOM 1118 CA HIS A 142 -10.193 -0.288 1.099 1.00 0.00 C ATOM 1119 C HIS A 142 -9.463 0.778 1.910 1.00 0.00 C ATOM 1120 O HIS A 142 -9.511 0.777 3.140 1.00 0.00 O ATOM 1121 CB HIS A 142 -11.697 -0.204 1.360 1.00 0.00 C ATOM 1122 CG HIS A 142 -12.514 -1.048 0.432 1.00 0.00 C ATOM 1123 ND1 HIS A 142 -13.834 -0.781 0.136 1.00 0.00 N ATOM 1124 CD2 HIS A 142 -12.191 -2.160 -0.270 1.00 0.00 C ATOM 1125 CE1 HIS A 142 -14.288 -1.692 -0.705 1.00 0.00 C ATOM 1126 NE2 HIS A 142 -13.311 -2.540 -0.968 1.00 0.00 N ATOM 0 H HIS A 142 -10.092 -2.021 2.275 1.00 0.00 H new ATOM 0 HA HIS A 142 -10.005 -0.106 0.041 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -11.897 -0.510 2.387 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -12.016 0.834 1.269 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -11.231 -2.656 -0.279 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -15.289 -1.736 -1.109 1.00 0.00 H new ATOM 0 HE2 HIS A 142 -13.377 -3.347 -1.589 1.00 0.00 H new ATOM 1135 N VAL A 143 -8.786 1.686 1.213 1.00 0.00 N ATOM 1136 CA VAL A 143 -8.047 2.757 1.869 1.00 0.00 C ATOM 1137 C VAL A 143 -8.750 4.098 1.693 1.00 0.00 C ATOM 1138 O VAL A 143 -9.118 4.475 0.581 1.00 0.00 O ATOM 1139 CB VAL A 143 -6.612 2.867 1.319 1.00 0.00 C ATOM 1140 CG1 VAL A 143 -5.821 3.910 2.094 1.00 0.00 C ATOM 1141 CG2 VAL A 143 -5.918 1.514 1.370 1.00 0.00 C ATOM 0 H VAL A 143 -8.735 1.700 0.194 1.00 0.00 H new ATOM 0 HA VAL A 143 -8.005 2.509 2.929 1.00 0.00 H new ATOM 0 HB VAL A 143 -6.664 3.185 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -4.810 3.973 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -6.310 4.880 2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -5.775 3.625 3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -4.905 1.609 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -5.876 1.165 2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -6.475 0.797 0.767 1.00 0.00 H new ATOM 1151 N GLN A 144 -8.933 4.814 2.798 1.00 0.00 N ATOM 1152 CA GLN A 144 -9.594 6.113 2.766 1.00 0.00 C ATOM 1153 C GLN A 144 -9.231 6.939 3.996 1.00 0.00 C ATOM 1154 O GLN A 144 -8.631 6.430 4.944 1.00 0.00 O ATOM 1155 CB GLN A 144 -11.111 5.937 2.685 1.00 0.00 C ATOM 1156 CG GLN A 144 -11.750 5.549 4.008 1.00 0.00 C ATOM 1157 CD GLN A 144 -13.230 5.250 3.877 1.00 0.00 C ATOM 1158 OE1 GLN A 144 -13.631 4.360 3.126 1.00 0.00 O ATOM 1159 NE2 GLN A 144 -14.052 5.995 4.607 1.00 0.00 N ATOM 0 H GLN A 144 -8.633 4.516 3.726 1.00 0.00 H new ATOM 0 HA GLN A 144 -9.250 6.645 1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -11.558 6.867 2.334 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -11.341 5.173 1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -11.241 4.673 4.410 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -11.609 6.357 4.726 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -13.676 6.722 5.216 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -15.059 5.840 4.559 1.00 0.00 H new ATOM 1168 N LEU A 145 -9.598 8.216 3.974 1.00 0.00 N ATOM 1169 CA LEU A 145 -9.312 9.113 5.088 1.00 0.00 C ATOM 1170 C LEU A 145 -9.971 8.616 6.371 1.00 0.00 C ATOM 1171 O LEU A 145 -11.095 8.117 6.350 1.00 0.00 O ATOM 1172 CB LEU A 145 -9.796 10.528 4.767 1.00 0.00 C ATOM 1173 CG LEU A 145 -8.998 11.286 3.706 1.00 0.00 C ATOM 1174 CD1 LEU A 145 -9.004 12.778 3.999 1.00 0.00 C ATOM 1175 CD2 LEU A 145 -7.572 10.760 3.634 1.00 0.00 C ATOM 0 H LEU A 145 -10.094 8.653 3.197 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.233 9.131 5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -10.834 10.470 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -9.785 11.112 5.687 1.00 0.00 H new ATOM 0 HG LEU A 145 -9.472 11.125 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -8.431 13.301 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -10.030 13.145 3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -8.555 12.959 4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -7.019 11.311 2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -7.087 10.890 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -7.587 9.701 3.375 1.00 0.00 H new