USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 906 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 90 THR OG1 : rot 119:sc= 0.167 USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= -0.0668 USER MOD Set 1.3: A 96 GLN : amide:sc= -3.29! C(o=-3.2!,f=-0.13!) USER MOD Set 2.1: A 18 MET CE :methyl -133:sc= -2.09 (180deg=-4.75!) USER MOD Set 2.2: A 39 MET CE :methyl -110:sc= -0.513 (180deg=-1.9) USER MOD Set 3.1: A 27 MET CE :methyl -155:sc= -0.308 (180deg=-1.15) USER MOD Set 3.2: A 119 TYR OH : rot 55:sc= 0.877 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 19 HIS : no HD1:sc= -8.04! C(o=-8!,f=-6.1!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 29 MET CE :methyl -173:sc= -0.74 (180deg=-0.757) USER MOD Single : A 30 SER OG : rot -34:sc= 1.29 USER MOD Single : A 36 CYS SG : rot -30:sc= -1.33 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 55:sc= 1.23 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0282 USER MOD Single : A 73 HIS : no HE2:sc= -0.0231 X(o=-0.023,f=-0.063) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.498 K(o=-0.5,f=-1.9!) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -8.26! C(o=-8.3!,f=-11!) USER MOD Single : A 86 SER OG : rot 170:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= -0.0234 USER MOD Single : A 98 MET CE :methyl -149:sc=-0.00491 (180deg=-1.53) USER MOD Single : A 99 HIS : no HD1:sc= -0.694 K(o=-0.69,f=-0.14) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 105 LYS NZ :NH3+ -170:sc= 0.00583 (180deg=-0.12) USER MOD Single : A 109 CYS SG : rot 101:sc= -0.464 USER MOD Single : A 110 GLN : amide:sc= -0.0267 K(o=-0.027,f=-1.7!) USER MOD Single : A 113 CYS SG : rot -62:sc= -1.29! USER MOD Single : A 116 GLN : amide:sc= -2.05! K(o=-2!,f=-1.2) USER MOD Single : A 117 GLN : amide:sc= -0.0234 X(o=-0.023,f=-0.029) USER MOD Single : A 124 ASN : amide:sc= -6.25! C(o=-6.3!,f=-4.5!) USER MOD Single : A 125 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.0073) USER MOD ----------------------------------------------------------------- ATOM 102 N ILE A 11 15.193 -10.599 0.595 1.00 0.00 N ATOM 103 CA ILE A 11 15.216 -9.376 -0.199 1.00 0.00 C ATOM 104 C ILE A 11 15.530 -9.677 -1.661 1.00 0.00 C ATOM 105 O ILE A 11 14.880 -9.152 -2.565 1.00 0.00 O ATOM 106 CB ILE A 11 16.253 -8.374 0.341 1.00 0.00 C ATOM 107 CG1 ILE A 11 15.865 -7.913 1.748 1.00 0.00 C ATOM 108 CG2 ILE A 11 16.377 -7.183 -0.597 1.00 0.00 C ATOM 109 CD1 ILE A 11 16.453 -6.573 2.129 1.00 0.00 C ATOM 0 HA ILE A 11 14.223 -8.933 -0.126 1.00 0.00 H new ATOM 0 HB ILE A 11 17.222 -8.871 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 11 14.779 -7.856 1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 11 16.191 -8.662 2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 11 17.114 -6.484 -0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 11 16.695 -7.527 -1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 11 15.412 -6.684 -0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.136 -6.310 3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.541 -6.630 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 11 16.107 -5.812 1.430 1.00 0.00 H new ATOM 121 N GLU A 12 16.528 -10.525 -1.884 1.00 0.00 N ATOM 122 CA GLU A 12 16.926 -10.896 -3.237 1.00 0.00 C ATOM 123 C GLU A 12 15.707 -11.236 -4.089 1.00 0.00 C ATOM 124 O GLU A 12 15.447 -10.589 -5.104 1.00 0.00 O ATOM 125 CB GLU A 12 17.886 -12.087 -3.202 1.00 0.00 C ATOM 126 CG GLU A 12 19.300 -11.718 -2.785 1.00 0.00 C ATOM 127 CD GLU A 12 20.142 -11.231 -3.948 1.00 0.00 C ATOM 128 OE1 GLU A 12 20.617 -12.079 -4.732 1.00 0.00 O ATOM 129 OE2 GLU A 12 20.326 -10.002 -4.075 1.00 0.00 O ATOM 0 H GLU A 12 17.076 -10.968 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 12 17.434 -10.042 -3.685 1.00 0.00 H new ATOM 0 HB2 GLU A 12 17.497 -12.836 -2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.916 -12.548 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 12 19.259 -10.942 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 12 19.780 -12.586 -2.332 1.00 0.00 H new ATOM 136 N GLN A 13 14.965 -12.255 -3.669 1.00 0.00 N ATOM 137 CA GLN A 13 13.774 -12.682 -4.395 1.00 0.00 C ATOM 138 C GLN A 13 12.744 -11.560 -4.458 1.00 0.00 C ATOM 139 O GLN A 13 11.781 -11.629 -5.224 1.00 0.00 O ATOM 140 CB GLN A 13 13.161 -13.916 -3.730 1.00 0.00 C ATOM 141 CG GLN A 13 14.016 -15.166 -3.861 1.00 0.00 C ATOM 142 CD GLN A 13 13.264 -16.429 -3.487 1.00 0.00 C ATOM 143 OE1 GLN A 13 12.412 -16.418 -2.599 1.00 0.00 O ATOM 144 NE2 GLN A 13 13.577 -17.527 -4.166 1.00 0.00 N ATOM 0 H GLN A 13 15.167 -12.800 -2.831 1.00 0.00 H new ATOM 0 HA GLN A 13 14.071 -12.936 -5.413 1.00 0.00 H new ATOM 0 HB2 GLN A 13 12.999 -13.706 -2.673 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.183 -14.107 -4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 13 14.374 -15.251 -4.887 1.00 0.00 H new ATOM 0 HG3 GLN A 13 14.895 -15.069 -3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 13 14.290 -17.490 -4.894 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.104 -18.407 -3.959 1.00 0.00 H new ATOM 153 N LEU A 14 12.951 -10.527 -3.649 1.00 0.00 N ATOM 154 CA LEU A 14 12.040 -9.388 -3.613 1.00 0.00 C ATOM 155 C LEU A 14 12.419 -8.354 -4.668 1.00 0.00 C ATOM 156 O LEU A 14 11.560 -7.840 -5.386 1.00 0.00 O ATOM 157 CB LEU A 14 12.050 -8.745 -2.225 1.00 0.00 C ATOM 158 CG LEU A 14 10.747 -8.075 -1.787 1.00 0.00 C ATOM 159 CD1 LEU A 14 10.675 -7.989 -0.270 1.00 0.00 C ATOM 160 CD2 LEU A 14 10.625 -6.691 -2.407 1.00 0.00 C ATOM 0 H LEU A 14 13.742 -10.454 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 14 11.036 -9.751 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 14 12.305 -9.511 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 14 12.845 -8.000 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 14 9.913 -8.683 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.741 -7.509 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.716 -8.992 0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.516 -7.403 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.692 -6.229 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.465 -6.074 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.631 -6.777 -3.494 1.00 0.00 H new ATOM 172 N LEU A 15 13.710 -8.053 -4.757 1.00 0.00 N ATOM 173 CA LEU A 15 14.204 -7.082 -5.726 1.00 0.00 C ATOM 174 C LEU A 15 13.802 -7.474 -7.145 1.00 0.00 C ATOM 175 O LEU A 15 13.018 -6.781 -7.791 1.00 0.00 O ATOM 176 CB LEU A 15 15.726 -6.964 -5.629 1.00 0.00 C ATOM 177 CG LEU A 15 16.260 -6.051 -4.525 1.00 0.00 C ATOM 178 CD1 LEU A 15 17.774 -6.158 -4.429 1.00 0.00 C ATOM 179 CD2 LEU A 15 15.840 -4.610 -4.775 1.00 0.00 C ATOM 0 H LEU A 15 14.433 -8.468 -4.170 1.00 0.00 H new ATOM 0 HA LEU A 15 13.755 -6.116 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.139 -7.962 -5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.104 -6.603 -6.586 1.00 0.00 H new ATOM 0 HG LEU A 15 15.833 -6.373 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.136 -5.501 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.052 -7.187 -4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 15 18.221 -5.863 -5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 15 16.229 -3.974 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.238 -4.276 -5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.752 -4.546 -4.792 1.00 0.00 H new ATOM 191 N GLU A 16 14.345 -8.591 -7.620 1.00 0.00 N ATOM 192 CA GLU A 16 14.041 -9.075 -8.962 1.00 0.00 C ATOM 193 C GLU A 16 12.568 -8.860 -9.297 1.00 0.00 C ATOM 194 O GLU A 16 12.217 -8.562 -10.439 1.00 0.00 O ATOM 195 CB GLU A 16 14.392 -10.560 -9.083 1.00 0.00 C ATOM 196 CG GLU A 16 13.424 -11.476 -8.353 1.00 0.00 C ATOM 197 CD GLU A 16 13.543 -12.921 -8.794 1.00 0.00 C ATOM 198 OE1 GLU A 16 14.421 -13.633 -8.263 1.00 0.00 O ATOM 199 OE2 GLU A 16 12.759 -13.341 -9.671 1.00 0.00 O ATOM 0 H GLU A 16 14.996 -9.176 -7.097 1.00 0.00 H new ATOM 0 HA GLU A 16 14.643 -8.507 -9.671 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.414 -10.835 -10.138 1.00 0.00 H new ATOM 0 HB3 GLU A 16 15.396 -10.720 -8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.607 -11.411 -7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.404 -11.131 -8.524 1.00 0.00 H new ATOM 206 N PHE A 17 11.710 -9.015 -8.294 1.00 0.00 N ATOM 207 CA PHE A 17 10.274 -8.839 -8.482 1.00 0.00 C ATOM 208 C PHE A 17 9.918 -7.360 -8.596 1.00 0.00 C ATOM 209 O PHE A 17 9.058 -6.977 -9.390 1.00 0.00 O ATOM 210 CB PHE A 17 9.506 -9.473 -7.321 1.00 0.00 C ATOM 211 CG PHE A 17 8.205 -8.786 -7.017 1.00 0.00 C ATOM 212 CD1 PHE A 17 7.057 -9.101 -7.727 1.00 0.00 C ATOM 213 CD2 PHE A 17 8.130 -7.825 -6.022 1.00 0.00 C ATOM 214 CE1 PHE A 17 5.859 -8.471 -7.450 1.00 0.00 C ATOM 215 CE2 PHE A 17 6.934 -7.192 -5.740 1.00 0.00 C ATOM 216 CZ PHE A 17 5.797 -7.514 -6.456 1.00 0.00 C ATOM 0 H PHE A 17 11.984 -9.262 -7.343 1.00 0.00 H new ATOM 0 HA PHE A 17 9.990 -9.335 -9.410 1.00 0.00 H new ATOM 0 HB2 PHE A 17 9.309 -10.519 -7.554 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.133 -9.457 -6.429 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.099 -9.848 -8.506 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.016 -7.568 -5.460 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.972 -8.727 -8.010 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.888 -6.446 -4.960 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.862 -7.019 -6.239 1.00 0.00 H new ATOM 226 N MET A 18 10.583 -6.534 -7.796 1.00 0.00 N ATOM 227 CA MET A 18 10.337 -5.096 -7.807 1.00 0.00 C ATOM 228 C MET A 18 10.558 -4.518 -9.201 1.00 0.00 C ATOM 229 O MET A 18 9.713 -3.789 -9.722 1.00 0.00 O ATOM 230 CB MET A 18 11.249 -4.393 -6.800 1.00 0.00 C ATOM 231 CG MET A 18 10.697 -4.383 -5.384 1.00 0.00 C ATOM 232 SD MET A 18 9.690 -2.927 -5.041 1.00 0.00 S ATOM 233 CE MET A 18 10.909 -1.837 -4.311 1.00 0.00 C ATOM 0 H MET A 18 11.296 -6.835 -7.132 1.00 0.00 H new ATOM 0 HA MET A 18 9.298 -4.928 -7.524 1.00 0.00 H new ATOM 0 HB2 MET A 18 12.222 -4.885 -6.798 1.00 0.00 H new ATOM 0 HB3 MET A 18 11.412 -3.365 -7.125 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.098 -5.280 -5.225 1.00 0.00 H new ATOM 0 HG3 MET A 18 11.524 -4.423 -4.675 1.00 0.00 H new ATOM 0 HE1 MET A 18 10.503 -1.395 -3.401 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.807 -2.406 -4.069 1.00 0.00 H new ATOM 0 HE3 MET A 18 11.160 -1.046 -5.018 1.00 0.00 H new ATOM 243 N HIS A 19 11.698 -4.846 -9.799 1.00 0.00 N ATOM 244 CA HIS A 19 12.030 -4.359 -11.134 1.00 0.00 C ATOM 245 C HIS A 19 11.143 -5.015 -12.187 1.00 0.00 C ATOM 246 O HIS A 19 10.952 -4.473 -13.276 1.00 0.00 O ATOM 247 CB HIS A 19 13.501 -4.630 -11.448 1.00 0.00 C ATOM 248 CG HIS A 19 13.767 -6.030 -11.910 1.00 0.00 C ATOM 249 ND1 HIS A 19 14.722 -6.843 -11.337 1.00 0.00 N ATOM 250 CD2 HIS A 19 13.195 -6.761 -12.895 1.00 0.00 C ATOM 251 CE1 HIS A 19 14.727 -8.012 -11.950 1.00 0.00 C ATOM 252 NE2 HIS A 19 13.809 -7.989 -12.900 1.00 0.00 N ATOM 0 H HIS A 19 12.408 -5.447 -9.381 1.00 0.00 H new ATOM 0 HA HIS A 19 11.855 -3.283 -11.156 1.00 0.00 H new ATOM 0 HB2 HIS A 19 13.834 -3.933 -12.217 1.00 0.00 H new ATOM 0 HB3 HIS A 19 14.097 -4.431 -10.557 1.00 0.00 H new ATOM 0 HD2 HIS A 19 12.403 -6.438 -13.554 1.00 0.00 H new ATOM 0 HE1 HIS A 19 15.372 -8.846 -11.715 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.592 -8.758 -13.534 1.00 0.00 H new ATOM 261 N GLN A 20 10.604 -6.184 -11.856 1.00 0.00 N ATOM 262 CA GLN A 20 9.739 -6.914 -12.775 1.00 0.00 C ATOM 263 C GLN A 20 8.429 -6.166 -13.000 1.00 0.00 C ATOM 264 O GLN A 20 7.673 -6.480 -13.920 1.00 0.00 O ATOM 265 CB GLN A 20 9.453 -8.316 -12.234 1.00 0.00 C ATOM 266 CG GLN A 20 10.465 -9.359 -12.682 1.00 0.00 C ATOM 267 CD GLN A 20 10.142 -9.938 -14.045 1.00 0.00 C ATOM 268 OE1 GLN A 20 10.558 -9.405 -15.074 1.00 0.00 O ATOM 269 NE2 GLN A 20 9.396 -11.037 -14.060 1.00 0.00 N ATOM 0 H GLN A 20 10.751 -6.646 -10.958 1.00 0.00 H new ATOM 0 HA GLN A 20 10.256 -6.999 -13.731 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.439 -8.280 -11.145 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.458 -8.625 -12.556 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.457 -8.909 -12.709 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.500 -10.164 -11.948 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.072 -11.446 -13.183 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.147 -11.472 -14.948 1.00 0.00 H new ATOM 278 N LEU A 21 8.166 -5.176 -12.154 1.00 0.00 N ATOM 279 CA LEU A 21 6.947 -4.382 -12.260 1.00 0.00 C ATOM 280 C LEU A 21 7.239 -3.014 -12.867 1.00 0.00 C ATOM 281 O LEU A 21 8.289 -2.415 -12.635 1.00 0.00 O ATOM 282 CB LEU A 21 6.303 -4.215 -10.883 1.00 0.00 C ATOM 283 CG LEU A 21 5.936 -5.507 -10.152 1.00 0.00 C ATOM 284 CD1 LEU A 21 5.254 -5.197 -8.828 1.00 0.00 C ATOM 285 CD2 LEU A 21 5.042 -6.378 -11.023 1.00 0.00 C ATOM 0 H LEU A 21 8.781 -4.904 -11.387 1.00 0.00 H new ATOM 0 HA LEU A 21 6.255 -4.909 -12.917 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.985 -3.645 -10.252 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.399 -3.616 -10.997 1.00 0.00 H new ATOM 0 HG LEU A 21 6.854 -6.057 -9.944 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.000 -6.129 -8.322 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.928 -4.615 -8.199 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.345 -4.625 -9.012 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.791 -7.293 -10.486 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.127 -5.835 -11.263 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.566 -6.630 -11.945 1.00 0.00 H new ATOM 297 N PRO A 22 6.287 -2.504 -13.663 1.00 0.00 N ATOM 298 CA PRO A 22 6.418 -1.199 -14.318 1.00 0.00 C ATOM 299 C PRO A 22 6.345 -0.043 -13.326 1.00 0.00 C ATOM 300 O PRO A 22 7.082 0.936 -13.444 1.00 0.00 O ATOM 301 CB PRO A 22 5.222 -1.160 -15.273 1.00 0.00 C ATOM 302 CG PRO A 22 4.219 -2.077 -14.662 1.00 0.00 C ATOM 303 CD PRO A 22 5.010 -3.162 -13.984 1.00 0.00 C ATOM 0 HA PRO A 22 7.382 -1.087 -14.815 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.826 -0.149 -15.371 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.503 -1.490 -16.273 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.590 -1.547 -13.946 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.557 -2.493 -15.421 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.508 -3.524 -13.087 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.154 -4.022 -14.638 1.00 0.00 H new ATOM 311 N ALA A 23 5.453 -0.163 -12.348 1.00 0.00 N ATOM 312 CA ALA A 23 5.287 0.871 -11.334 1.00 0.00 C ATOM 313 C ALA A 23 6.560 1.044 -10.513 1.00 0.00 C ATOM 314 O ALA A 23 6.820 2.120 -9.973 1.00 0.00 O ATOM 315 CB ALA A 23 4.112 0.536 -10.427 1.00 0.00 C ATOM 0 H ALA A 23 4.834 -0.966 -12.237 1.00 0.00 H new ATOM 0 HA ALA A 23 5.083 1.814 -11.841 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.999 1.316 -9.674 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.201 0.471 -11.021 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.293 -0.419 -9.935 1.00 0.00 H new ATOM 321 N PHE A 24 7.350 -0.020 -10.423 1.00 0.00 N ATOM 322 CA PHE A 24 8.595 0.014 -9.665 1.00 0.00 C ATOM 323 C PHE A 24 9.786 0.265 -10.587 1.00 0.00 C ATOM 324 O PHE A 24 10.821 0.773 -10.158 1.00 0.00 O ATOM 325 CB PHE A 24 8.792 -1.299 -8.906 1.00 0.00 C ATOM 326 CG PHE A 24 8.198 -1.289 -7.526 1.00 0.00 C ATOM 327 CD1 PHE A 24 8.398 -0.210 -6.680 1.00 0.00 C ATOM 328 CD2 PHE A 24 7.439 -2.357 -7.076 1.00 0.00 C ATOM 329 CE1 PHE A 24 7.853 -0.198 -5.410 1.00 0.00 C ATOM 330 CE2 PHE A 24 6.891 -2.351 -5.807 1.00 0.00 C ATOM 331 CZ PHE A 24 7.098 -1.269 -4.973 1.00 0.00 C ATOM 0 H PHE A 24 7.150 -0.917 -10.866 1.00 0.00 H new ATOM 0 HA PHE A 24 8.532 0.833 -8.949 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.345 -2.111 -9.479 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.859 -1.510 -8.832 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.986 0.631 -7.017 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.273 -3.205 -7.725 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.017 0.648 -4.760 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.302 -3.190 -5.468 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.670 -1.261 -3.981 1.00 0.00 H new ATOM 341 N ALA A 25 9.629 -0.097 -11.856 1.00 0.00 N ATOM 342 CA ALA A 25 10.689 0.090 -12.840 1.00 0.00 C ATOM 343 C ALA A 25 11.249 1.507 -12.782 1.00 0.00 C ATOM 344 O ALA A 25 12.439 1.724 -13.002 1.00 0.00 O ATOM 345 CB ALA A 25 10.173 -0.220 -14.237 1.00 0.00 C ATOM 0 H ALA A 25 8.779 -0.521 -12.227 1.00 0.00 H new ATOM 0 HA ALA A 25 11.498 -0.601 -12.602 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.975 -0.076 -14.961 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.829 -1.254 -14.277 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.345 0.447 -14.475 1.00 0.00 H new ATOM 351 N ASN A 26 10.381 2.469 -12.486 1.00 0.00 N ATOM 352 CA ASN A 26 10.789 3.867 -12.401 1.00 0.00 C ATOM 353 C ASN A 26 11.996 4.026 -11.482 1.00 0.00 C ATOM 354 O ASN A 26 12.912 4.796 -11.772 1.00 0.00 O ATOM 355 CB ASN A 26 9.630 4.728 -11.893 1.00 0.00 C ATOM 356 CG ASN A 26 8.649 5.084 -12.993 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.187 4.216 -13.733 1.00 0.00 O ATOM 358 ND2 ASN A 26 8.327 6.368 -13.106 1.00 0.00 N ATOM 0 H ASN A 26 9.391 2.306 -12.301 1.00 0.00 H new ATOM 0 HA ASN A 26 11.069 4.200 -13.400 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.105 4.195 -11.100 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.026 5.643 -11.453 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.672 6.668 -13.828 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.734 7.054 -12.470 1.00 0.00 H new ATOM 365 N MET A 27 11.990 3.293 -10.374 1.00 0.00 N ATOM 366 CA MET A 27 13.086 3.351 -9.413 1.00 0.00 C ATOM 367 C MET A 27 14.184 2.358 -9.780 1.00 0.00 C ATOM 368 O MET A 27 13.981 1.470 -10.609 1.00 0.00 O ATOM 369 CB MET A 27 12.572 3.063 -8.002 1.00 0.00 C ATOM 370 CG MET A 27 11.269 3.774 -7.673 1.00 0.00 C ATOM 371 SD MET A 27 10.550 3.220 -6.115 1.00 0.00 S ATOM 372 CE MET A 27 8.806 3.460 -6.443 1.00 0.00 C ATOM 0 H MET A 27 11.239 2.652 -10.119 1.00 0.00 H new ATOM 0 HA MET A 27 13.506 4.356 -9.440 1.00 0.00 H new ATOM 0 HB2 MET A 27 12.429 1.988 -7.889 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.332 3.361 -7.279 1.00 0.00 H new ATOM 0 HG2 MET A 27 11.448 4.848 -7.625 1.00 0.00 H new ATOM 0 HG3 MET A 27 10.554 3.606 -8.479 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.274 3.598 -5.502 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.671 4.343 -7.068 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.409 2.586 -6.959 1.00 0.00 H new ATOM 382 N THR A 28 15.349 2.513 -9.158 1.00 0.00 N ATOM 383 CA THR A 28 16.479 1.630 -9.419 1.00 0.00 C ATOM 384 C THR A 28 16.737 0.702 -8.238 1.00 0.00 C ATOM 385 O THR A 28 16.115 0.835 -7.185 1.00 0.00 O ATOM 386 CB THR A 28 17.760 2.432 -9.717 1.00 0.00 C ATOM 387 OG1 THR A 28 18.787 1.555 -10.192 1.00 0.00 O ATOM 388 CG2 THR A 28 18.244 3.161 -8.473 1.00 0.00 C ATOM 0 H THR A 28 15.534 3.242 -8.470 1.00 0.00 H new ATOM 0 HA THR A 28 16.219 1.034 -10.294 1.00 0.00 H new ATOM 0 HB THR A 28 17.530 3.171 -10.485 1.00 0.00 H new ATOM 0 HG1 THR A 28 19.598 2.072 -10.381 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.150 3.720 -8.708 1.00 0.00 H new ATOM 0 HG22 THR A 28 17.471 3.849 -8.131 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.459 2.437 -7.687 1.00 0.00 H new ATOM 396 N MET A 29 17.658 -0.239 -8.421 1.00 0.00 N ATOM 397 CA MET A 29 17.999 -1.188 -7.368 1.00 0.00 C ATOM 398 C MET A 29 18.079 -0.493 -6.013 1.00 0.00 C ATOM 399 O MET A 29 17.347 -0.835 -5.085 1.00 0.00 O ATOM 400 CB MET A 29 19.330 -1.874 -7.682 1.00 0.00 C ATOM 401 CG MET A 29 19.220 -2.957 -8.744 1.00 0.00 C ATOM 402 SD MET A 29 17.986 -4.207 -8.335 1.00 0.00 S ATOM 403 CE MET A 29 19.037 -5.599 -7.928 1.00 0.00 C ATOM 0 H MET A 29 18.181 -0.364 -9.288 1.00 0.00 H new ATOM 0 HA MET A 29 17.212 -1.941 -7.324 1.00 0.00 H new ATOM 0 HB2 MET A 29 20.047 -1.123 -8.013 1.00 0.00 H new ATOM 0 HB3 MET A 29 19.728 -2.313 -6.767 1.00 0.00 H new ATOM 0 HG2 MET A 29 18.965 -2.499 -9.700 1.00 0.00 H new ATOM 0 HG3 MET A 29 20.190 -3.437 -8.870 1.00 0.00 H new ATOM 0 HE1 MET A 29 18.423 -6.486 -7.774 1.00 0.00 H new ATOM 0 HE2 MET A 29 19.736 -5.779 -8.745 1.00 0.00 H new ATOM 0 HE3 MET A 29 19.593 -5.381 -7.017 1.00 0.00 H new ATOM 413 N SER A 30 18.973 0.486 -5.908 1.00 0.00 N ATOM 414 CA SER A 30 19.151 1.227 -4.664 1.00 0.00 C ATOM 415 C SER A 30 17.808 1.493 -3.993 1.00 0.00 C ATOM 416 O SER A 30 17.499 0.924 -2.946 1.00 0.00 O ATOM 417 CB SER A 30 19.871 2.549 -4.934 1.00 0.00 C ATOM 418 OG SER A 30 20.452 3.064 -3.748 1.00 0.00 O ATOM 0 H SER A 30 19.584 0.784 -6.668 1.00 0.00 H new ATOM 0 HA SER A 30 19.758 0.621 -3.992 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.645 2.398 -5.686 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.167 3.274 -5.342 1.00 0.00 H new ATOM 0 HG SER A 30 19.888 2.833 -2.980 1.00 0.00 H new ATOM 424 N VAL A 31 17.011 2.364 -4.604 1.00 0.00 N ATOM 425 CA VAL A 31 15.699 2.707 -4.068 1.00 0.00 C ATOM 426 C VAL A 31 14.948 1.461 -3.613 1.00 0.00 C ATOM 427 O VAL A 31 14.539 1.358 -2.456 1.00 0.00 O ATOM 428 CB VAL A 31 14.845 3.456 -5.108 1.00 0.00 C ATOM 429 CG1 VAL A 31 13.377 3.431 -4.712 1.00 0.00 C ATOM 430 CG2 VAL A 31 15.338 4.886 -5.271 1.00 0.00 C ATOM 0 H VAL A 31 17.251 2.845 -5.471 1.00 0.00 H new ATOM 0 HA VAL A 31 15.869 3.359 -3.211 1.00 0.00 H new ATOM 0 HB VAL A 31 14.946 2.950 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.790 3.965 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.034 2.398 -4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 31 13.254 3.912 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.723 5.401 -6.010 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.269 5.406 -4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 31 16.376 4.877 -5.605 1.00 0.00 H new ATOM 440 N ARG A 32 14.771 0.515 -4.530 1.00 0.00 N ATOM 441 CA ARG A 32 14.069 -0.725 -4.224 1.00 0.00 C ATOM 442 C ARG A 32 14.585 -1.335 -2.923 1.00 0.00 C ATOM 443 O ARG A 32 13.803 -1.735 -2.061 1.00 0.00 O ATOM 444 CB ARG A 32 14.234 -1.725 -5.369 1.00 0.00 C ATOM 445 CG ARG A 32 13.628 -1.254 -6.681 1.00 0.00 C ATOM 446 CD ARG A 32 14.198 -2.020 -7.865 1.00 0.00 C ATOM 447 NE ARG A 32 13.915 -1.356 -9.134 1.00 0.00 N ATOM 448 CZ ARG A 32 14.570 -1.615 -10.261 1.00 0.00 C ATOM 449 NH1 ARG A 32 15.539 -2.519 -10.275 1.00 0.00 N ATOM 450 NH2 ARG A 32 14.254 -0.968 -11.376 1.00 0.00 N ATOM 0 H ARG A 32 15.105 0.584 -5.491 1.00 0.00 H new ATOM 0 HA ARG A 32 13.011 -0.494 -4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 32 15.296 -1.921 -5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.772 -2.670 -5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.546 -1.382 -6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.819 -0.189 -6.810 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.276 -2.125 -7.744 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.779 -3.026 -7.881 1.00 0.00 H new ATOM 0 HE ARG A 32 13.174 -0.655 -9.157 1.00 0.00 H new ATOM 0 HH11 ARG A 32 15.784 -3.018 -9.420 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.040 -2.716 -11.141 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.508 -0.272 -11.368 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.757 -1.167 -12.241 1.00 0.00 H new ATOM 464 N ARG A 33 15.905 -1.402 -2.790 1.00 0.00 N ATOM 465 CA ARG A 33 16.525 -1.964 -1.596 1.00 0.00 C ATOM 466 C ARG A 33 16.138 -1.165 -0.355 1.00 0.00 C ATOM 467 O ARG A 33 15.720 -1.733 0.653 1.00 0.00 O ATOM 468 CB ARG A 33 18.048 -1.985 -1.748 1.00 0.00 C ATOM 469 CG ARG A 33 18.579 -3.256 -2.389 1.00 0.00 C ATOM 470 CD ARG A 33 20.063 -3.440 -2.116 1.00 0.00 C ATOM 471 NE ARG A 33 20.576 -4.680 -2.692 1.00 0.00 N ATOM 472 CZ ARG A 33 20.715 -4.882 -3.998 1.00 0.00 C ATOM 473 NH1 ARG A 33 20.381 -3.930 -4.858 1.00 0.00 N ATOM 474 NH2 ARG A 33 21.190 -6.037 -4.445 1.00 0.00 N ATOM 0 H ARG A 33 16.566 -1.074 -3.494 1.00 0.00 H new ATOM 0 HA ARG A 33 16.164 -2.986 -1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 33 18.356 -1.129 -2.349 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.504 -1.866 -0.765 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.028 -4.115 -2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 33 18.408 -3.221 -3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.615 -2.594 -2.527 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.236 -3.441 -1.040 1.00 0.00 H new ATOM 0 HE ARG A 33 20.842 -5.432 -2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 33 20.016 -3.040 -4.518 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.489 -4.087 -5.860 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.449 -6.771 -3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.296 -6.191 -5.448 1.00 0.00 H new ATOM 488 N GLU A 34 16.281 0.154 -0.438 1.00 0.00 N ATOM 489 CA GLU A 34 15.947 1.029 0.680 1.00 0.00 C ATOM 490 C GLU A 34 14.497 0.831 1.111 1.00 0.00 C ATOM 491 O GLU A 34 14.211 0.631 2.293 1.00 0.00 O ATOM 492 CB GLU A 34 16.182 2.492 0.298 1.00 0.00 C ATOM 493 CG GLU A 34 17.650 2.880 0.250 1.00 0.00 C ATOM 494 CD GLU A 34 18.467 1.964 -0.640 1.00 0.00 C ATOM 495 OE1 GLU A 34 18.658 0.788 -0.265 1.00 0.00 O ATOM 496 OE2 GLU A 34 18.916 2.423 -1.711 1.00 0.00 O ATOM 0 H GLU A 34 16.625 0.640 -1.266 1.00 0.00 H new ATOM 0 HA GLU A 34 16.595 0.771 1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.733 2.681 -0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.669 3.133 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.739 3.905 -0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.060 2.860 1.260 1.00 0.00 H new ATOM 503 N LEU A 35 13.586 0.889 0.147 1.00 0.00 N ATOM 504 CA LEU A 35 12.164 0.717 0.425 1.00 0.00 C ATOM 505 C LEU A 35 11.916 -0.563 1.218 1.00 0.00 C ATOM 506 O LEU A 35 11.208 -0.553 2.225 1.00 0.00 O ATOM 507 CB LEU A 35 11.368 0.684 -0.881 1.00 0.00 C ATOM 508 CG LEU A 35 11.242 2.015 -1.623 1.00 0.00 C ATOM 509 CD1 LEU A 35 10.925 1.779 -3.092 1.00 0.00 C ATOM 510 CD2 LEU A 35 10.173 2.886 -0.978 1.00 0.00 C ATOM 0 H LEU A 35 13.806 1.054 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 35 11.831 1.565 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.835 -0.039 -1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.365 0.316 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 35 12.196 2.538 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.839 2.737 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.725 1.195 -3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.984 1.236 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.097 3.829 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.214 2.370 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.442 3.084 0.060 1.00 0.00 H new ATOM 522 N CYS A 36 12.504 -1.661 0.757 1.00 0.00 N ATOM 523 CA CYS A 36 12.348 -2.949 1.423 1.00 0.00 C ATOM 524 C CYS A 36 12.560 -2.812 2.927 1.00 0.00 C ATOM 525 O CYS A 36 12.128 -3.662 3.705 1.00 0.00 O ATOM 526 CB CYS A 36 13.332 -3.968 0.847 1.00 0.00 C ATOM 527 SG CYS A 36 13.022 -5.671 1.368 1.00 0.00 S ATOM 0 H CYS A 36 13.093 -1.685 -0.075 1.00 0.00 H new ATOM 0 HA CYS A 36 11.331 -3.300 1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 36 13.293 -3.920 -0.241 1.00 0.00 H new ATOM 0 HB3 CYS A 36 14.343 -3.688 1.142 1.00 0.00 H new ATOM 0 HG CYS A 36 12.494 -5.672 2.556 1.00 0.00 H new ATOM 533 N SER A 37 13.231 -1.738 3.330 1.00 0.00 N ATOM 534 CA SER A 37 13.507 -1.492 4.740 1.00 0.00 C ATOM 535 C SER A 37 12.262 -0.974 5.455 1.00 0.00 C ATOM 536 O SER A 37 12.017 -1.301 6.616 1.00 0.00 O ATOM 537 CB SER A 37 14.651 -0.488 4.891 1.00 0.00 C ATOM 538 OG SER A 37 15.224 -0.559 6.185 1.00 0.00 O ATOM 0 H SER A 37 13.594 -1.024 2.699 1.00 0.00 H new ATOM 0 HA SER A 37 13.801 -2.437 5.197 1.00 0.00 H new ATOM 0 HB2 SER A 37 15.415 -0.687 4.140 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.280 0.521 4.709 1.00 0.00 H new ATOM 0 HG SER A 37 15.954 0.091 6.256 1.00 0.00 H new ATOM 544 N VAL A 38 11.479 -0.162 4.751 1.00 0.00 N ATOM 545 CA VAL A 38 10.259 0.402 5.316 1.00 0.00 C ATOM 546 C VAL A 38 9.024 -0.124 4.594 1.00 0.00 C ATOM 547 O VAL A 38 7.971 0.512 4.599 1.00 0.00 O ATOM 548 CB VAL A 38 10.266 1.941 5.243 1.00 0.00 C ATOM 549 CG1 VAL A 38 11.473 2.505 5.977 1.00 0.00 C ATOM 550 CG2 VAL A 38 10.248 2.405 3.794 1.00 0.00 C ATOM 0 H VAL A 38 11.668 0.120 3.789 1.00 0.00 H new ATOM 0 HA VAL A 38 10.223 0.095 6.361 1.00 0.00 H new ATOM 0 HB VAL A 38 9.366 2.315 5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.461 3.593 5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.437 2.201 7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.387 2.125 5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.253 3.494 3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.129 2.022 3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.349 2.031 3.303 1.00 0.00 H new ATOM 560 N MET A 39 9.162 -1.291 3.973 1.00 0.00 N ATOM 561 CA MET A 39 8.056 -1.905 3.247 1.00 0.00 C ATOM 562 C MET A 39 7.255 -2.831 4.157 1.00 0.00 C ATOM 563 O MET A 39 7.788 -3.804 4.692 1.00 0.00 O ATOM 564 CB MET A 39 8.581 -2.686 2.040 1.00 0.00 C ATOM 565 CG MET A 39 8.957 -1.803 0.862 1.00 0.00 C ATOM 566 SD MET A 39 7.590 -1.560 -0.289 1.00 0.00 S ATOM 567 CE MET A 39 8.328 -2.134 -1.817 1.00 0.00 C ATOM 0 H MET A 39 10.028 -1.830 3.958 1.00 0.00 H new ATOM 0 HA MET A 39 7.398 -1.110 2.898 1.00 0.00 H new ATOM 0 HB2 MET A 39 9.454 -3.264 2.343 1.00 0.00 H new ATOM 0 HB3 MET A 39 7.821 -3.399 1.721 1.00 0.00 H new ATOM 0 HG2 MET A 39 9.292 -0.834 1.232 1.00 0.00 H new ATOM 0 HG3 MET A 39 9.798 -2.250 0.332 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.493 -1.286 -2.482 1.00 0.00 H new ATOM 0 HE2 MET A 39 9.281 -2.617 -1.602 1.00 0.00 H new ATOM 0 HE3 MET A 39 7.660 -2.848 -2.298 1.00 0.00 H new ATOM 577 N ILE A 40 5.974 -2.522 4.329 1.00 0.00 N ATOM 578 CA ILE A 40 5.101 -3.328 5.173 1.00 0.00 C ATOM 579 C ILE A 40 4.489 -4.483 4.388 1.00 0.00 C ATOM 580 O ILE A 40 4.111 -4.327 3.227 1.00 0.00 O ATOM 581 CB ILE A 40 3.969 -2.480 5.783 1.00 0.00 C ATOM 582 CG1 ILE A 40 4.540 -1.211 6.421 1.00 0.00 C ATOM 583 CG2 ILE A 40 3.194 -3.292 6.810 1.00 0.00 C ATOM 584 CD1 ILE A 40 3.507 -0.128 6.640 1.00 0.00 C ATOM 0 H ILE A 40 5.518 -1.719 3.895 1.00 0.00 H new ATOM 0 HA ILE A 40 5.720 -3.727 5.977 1.00 0.00 H new ATOM 0 HB ILE A 40 3.284 -2.188 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.994 -1.468 7.378 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.335 -0.821 5.786 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.397 -2.679 7.232 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.761 -4.169 6.329 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.868 -3.610 7.606 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.982 0.741 7.095 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.070 0.157 5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.724 -0.500 7.300 1.00 0.00 H new ATOM 596 N PHE A 41 4.392 -5.642 5.031 1.00 0.00 N ATOM 597 CA PHE A 41 3.825 -6.824 4.393 1.00 0.00 C ATOM 598 C PHE A 41 2.354 -6.990 4.766 1.00 0.00 C ATOM 599 O PHE A 41 2.000 -7.002 5.944 1.00 0.00 O ATOM 600 CB PHE A 41 4.609 -8.074 4.798 1.00 0.00 C ATOM 601 CG PHE A 41 6.002 -8.115 4.237 1.00 0.00 C ATOM 602 CD1 PHE A 41 6.213 -8.097 2.868 1.00 0.00 C ATOM 603 CD2 PHE A 41 7.101 -8.172 5.079 1.00 0.00 C ATOM 604 CE1 PHE A 41 7.493 -8.134 2.348 1.00 0.00 C ATOM 605 CE2 PHE A 41 8.384 -8.208 4.566 1.00 0.00 C ATOM 606 CZ PHE A 41 8.580 -8.191 3.199 1.00 0.00 C ATOM 0 H PHE A 41 4.699 -5.788 5.993 1.00 0.00 H new ATOM 0 HA PHE A 41 3.896 -6.693 3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.662 -8.123 5.886 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.065 -8.958 4.465 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.367 -8.054 2.199 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.953 -8.188 6.149 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.643 -8.118 1.279 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.232 -8.249 5.233 1.00 0.00 H new ATOM 0 HZ PHE A 41 9.581 -8.222 2.796 1.00 0.00 H new ATOM 616 N GLU A 42 1.504 -7.118 3.752 1.00 0.00 N ATOM 617 CA GLU A 42 0.072 -7.282 3.974 1.00 0.00 C ATOM 618 C GLU A 42 -0.531 -8.239 2.949 1.00 0.00 C ATOM 619 O GLU A 42 -0.104 -8.280 1.795 1.00 0.00 O ATOM 620 CB GLU A 42 -0.636 -5.928 3.902 1.00 0.00 C ATOM 621 CG GLU A 42 -0.389 -5.047 5.115 1.00 0.00 C ATOM 622 CD GLU A 42 0.823 -4.151 4.949 1.00 0.00 C ATOM 623 OE1 GLU A 42 1.771 -4.561 4.246 1.00 0.00 O ATOM 624 OE2 GLU A 42 0.825 -3.041 5.521 1.00 0.00 O ATOM 0 H GLU A 42 1.781 -7.111 2.770 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.070 -7.705 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.304 -5.401 3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.708 -6.093 3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.269 -4.431 5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.253 -5.676 5.995 1.00 0.00 H new ATOM 631 N VAL A 43 -1.527 -9.007 3.379 1.00 0.00 N ATOM 632 CA VAL A 43 -2.190 -9.963 2.501 1.00 0.00 C ATOM 633 C VAL A 43 -3.636 -10.191 2.927 1.00 0.00 C ATOM 634 O VAL A 43 -3.907 -10.546 4.074 1.00 0.00 O ATOM 635 CB VAL A 43 -1.452 -11.315 2.484 1.00 0.00 C ATOM 636 CG1 VAL A 43 -1.079 -11.738 3.896 1.00 0.00 C ATOM 637 CG2 VAL A 43 -2.304 -12.378 1.807 1.00 0.00 C ATOM 0 H VAL A 43 -1.893 -8.985 4.331 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.173 -9.535 1.498 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.532 -11.200 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.559 -12.695 3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.428 -10.986 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.983 -11.837 4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.767 -13.327 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.242 -12.493 2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.514 -12.077 0.781 1.00 0.00 H new ATOM 647 N VAL A 44 -4.561 -9.984 1.996 1.00 0.00 N ATOM 648 CA VAL A 44 -5.981 -10.168 2.275 1.00 0.00 C ATOM 649 C VAL A 44 -6.437 -11.573 1.898 1.00 0.00 C ATOM 650 O VAL A 44 -6.230 -12.022 0.771 1.00 0.00 O ATOM 651 CB VAL A 44 -6.840 -9.140 1.514 1.00 0.00 C ATOM 652 CG1 VAL A 44 -8.317 -9.365 1.799 1.00 0.00 C ATOM 653 CG2 VAL A 44 -6.427 -7.724 1.884 1.00 0.00 C ATOM 0 H VAL A 44 -4.353 -9.689 1.042 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.115 -10.021 3.347 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.676 -9.274 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.909 -8.630 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.600 -10.368 1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.502 -9.258 2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.044 -7.011 1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.561 -7.574 2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.379 -7.571 1.625 1.00 0.00 H new ATOM 663 N GLU A 45 -7.058 -12.263 2.850 1.00 0.00 N ATOM 664 CA GLU A 45 -7.543 -13.618 2.617 1.00 0.00 C ATOM 665 C GLU A 45 -9.002 -13.604 2.168 1.00 0.00 C ATOM 666 O GLU A 45 -9.410 -14.406 1.328 1.00 0.00 O ATOM 667 CB GLU A 45 -7.396 -14.461 3.886 1.00 0.00 C ATOM 668 CG GLU A 45 -6.031 -15.113 4.028 1.00 0.00 C ATOM 669 CD GLU A 45 -5.966 -16.479 3.372 1.00 0.00 C ATOM 670 OE1 GLU A 45 -6.820 -17.332 3.691 1.00 0.00 O ATOM 671 OE2 GLU A 45 -5.060 -16.693 2.540 1.00 0.00 O ATOM 0 H GLU A 45 -7.237 -11.906 3.789 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.941 -14.061 1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.580 -13.829 4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.162 -15.237 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.275 -14.465 3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.787 -15.210 5.086 1.00 0.00 H new ATOM 678 N GLN A 46 -9.780 -12.689 2.736 1.00 0.00 N ATOM 679 CA GLN A 46 -11.193 -12.572 2.395 1.00 0.00 C ATOM 680 C GLN A 46 -11.382 -11.732 1.137 1.00 0.00 C ATOM 681 O GLN A 46 -11.122 -10.529 1.137 1.00 0.00 O ATOM 682 CB GLN A 46 -11.970 -11.952 3.558 1.00 0.00 C ATOM 683 CG GLN A 46 -11.559 -10.522 3.871 1.00 0.00 C ATOM 684 CD GLN A 46 -12.030 -10.065 5.237 1.00 0.00 C ATOM 685 OE1 GLN A 46 -13.142 -10.382 5.661 1.00 0.00 O ATOM 686 NE2 GLN A 46 -11.185 -9.315 5.935 1.00 0.00 N ATOM 0 H GLN A 46 -9.457 -12.019 3.433 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.578 -13.573 2.202 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -13.035 -11.972 3.325 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -11.827 -12.565 4.448 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.473 -10.441 3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.965 -9.856 3.109 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.273 -9.076 5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.448 -8.978 6.861 1.00 0.00 H new ATOM 695 N ALA A 47 -11.836 -12.374 0.065 1.00 0.00 N ATOM 696 CA ALA A 47 -12.061 -11.685 -1.200 1.00 0.00 C ATOM 697 C ALA A 47 -13.079 -10.561 -1.039 1.00 0.00 C ATOM 698 O ALA A 47 -13.762 -10.470 -0.020 1.00 0.00 O ATOM 699 CB ALA A 47 -12.524 -12.671 -2.262 1.00 0.00 C ATOM 0 H ALA A 47 -12.055 -13.370 0.048 1.00 0.00 H new ATOM 0 HA ALA A 47 -11.117 -11.242 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.688 -12.143 -3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.762 -13.437 -2.405 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -13.454 -13.140 -1.942 1.00 0.00 H new ATOM 705 N GLY A 48 -13.174 -9.706 -2.053 1.00 0.00 N ATOM 706 CA GLY A 48 -14.110 -8.598 -2.003 1.00 0.00 C ATOM 707 C GLY A 48 -13.858 -7.677 -0.826 1.00 0.00 C ATOM 708 O GLY A 48 -14.763 -6.980 -0.369 1.00 0.00 O ATOM 0 H GLY A 48 -12.620 -9.761 -2.908 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.041 -8.026 -2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.126 -8.988 -1.944 1.00 0.00 H new ATOM 712 N ALA A 49 -12.624 -7.676 -0.332 1.00 0.00 N ATOM 713 CA ALA A 49 -12.254 -6.834 0.799 1.00 0.00 C ATOM 714 C ALA A 49 -11.966 -5.405 0.349 1.00 0.00 C ATOM 715 O ALA A 49 -11.355 -5.186 -0.697 1.00 0.00 O ATOM 716 CB ALA A 49 -11.047 -7.416 1.519 1.00 0.00 C ATOM 0 H ALA A 49 -11.864 -8.249 -0.698 1.00 0.00 H new ATOM 0 HA ALA A 49 -13.096 -6.807 1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.782 -6.776 2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.287 -8.415 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -10.205 -7.474 0.829 1.00 0.00 H new ATOM 722 N ILE A 50 -12.409 -4.438 1.145 1.00 0.00 N ATOM 723 CA ILE A 50 -12.198 -3.031 0.828 1.00 0.00 C ATOM 724 C ILE A 50 -10.778 -2.597 1.175 1.00 0.00 C ATOM 725 O ILE A 50 -10.374 -2.632 2.338 1.00 0.00 O ATOM 726 CB ILE A 50 -13.196 -2.129 1.577 1.00 0.00 C ATOM 727 CG1 ILE A 50 -14.633 -2.528 1.235 1.00 0.00 C ATOM 728 CG2 ILE A 50 -12.950 -0.668 1.234 1.00 0.00 C ATOM 729 CD1 ILE A 50 -15.037 -3.874 1.795 1.00 0.00 C ATOM 0 H ILE A 50 -12.916 -4.603 2.014 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.357 -2.922 -0.245 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.048 -2.260 2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.313 -1.766 1.616 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.748 -2.545 0.151 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.663 -0.043 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.936 -0.392 1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.074 -0.520 0.161 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.067 -4.091 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.381 -4.647 1.394 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -14.954 -3.856 2.882 1.00 0.00 H new ATOM 741 N ILE A 51 -10.026 -2.186 0.160 1.00 0.00 N ATOM 742 CA ILE A 51 -8.652 -1.742 0.358 1.00 0.00 C ATOM 743 C ILE A 51 -8.604 -0.282 0.794 1.00 0.00 C ATOM 744 O ILE A 51 -7.814 0.093 1.662 1.00 0.00 O ATOM 745 CB ILE A 51 -7.815 -1.911 -0.924 1.00 0.00 C ATOM 746 CG1 ILE A 51 -8.243 -3.173 -1.676 1.00 0.00 C ATOM 747 CG2 ILE A 51 -6.333 -1.966 -0.585 1.00 0.00 C ATOM 748 CD1 ILE A 51 -8.127 -4.436 -0.851 1.00 0.00 C ATOM 0 H ILE A 51 -10.345 -2.151 -0.808 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.228 -2.368 1.144 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.988 -1.050 -1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.276 -3.057 -2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.632 -3.277 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.754 -2.086 -1.501 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.039 -1.041 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.142 -2.810 0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.447 -5.291 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.091 -4.576 -0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.760 -4.353 0.033 1.00 0.00 H new ATOM 760 N LEU A 52 -9.455 0.539 0.188 1.00 0.00 N ATOM 761 CA LEU A 52 -9.512 1.960 0.516 1.00 0.00 C ATOM 762 C LEU A 52 -10.946 2.475 0.456 1.00 0.00 C ATOM 763 O LEU A 52 -11.854 1.763 0.028 1.00 0.00 O ATOM 764 CB LEU A 52 -8.630 2.760 -0.445 1.00 0.00 C ATOM 765 CG LEU A 52 -7.121 2.592 -0.269 1.00 0.00 C ATOM 766 CD1 LEU A 52 -6.385 3.020 -1.529 1.00 0.00 C ATOM 767 CD2 LEU A 52 -6.632 3.388 0.933 1.00 0.00 C ATOM 0 H LEU A 52 -10.115 0.246 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.142 2.089 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.890 2.478 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.873 3.817 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.911 1.537 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.312 2.893 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.713 2.407 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.602 4.067 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.556 3.257 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.855 4.445 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.135 3.034 1.833 1.00 0.00 H new ATOM 779 N GLU A 53 -11.142 3.718 0.887 1.00 0.00 N ATOM 780 CA GLU A 53 -12.466 4.328 0.882 1.00 0.00 C ATOM 781 C GLU A 53 -12.410 5.744 0.316 1.00 0.00 C ATOM 782 O GLU A 53 -11.542 6.537 0.683 1.00 0.00 O ATOM 783 CB GLU A 53 -13.045 4.355 2.297 1.00 0.00 C ATOM 784 CG GLU A 53 -13.436 2.983 2.821 1.00 0.00 C ATOM 785 CD GLU A 53 -13.914 3.023 4.260 1.00 0.00 C ATOM 786 OE1 GLU A 53 -13.058 3.083 5.167 1.00 0.00 O ATOM 787 OE2 GLU A 53 -15.143 2.993 4.478 1.00 0.00 O ATOM 0 H GLU A 53 -10.401 4.321 1.244 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.113 3.726 0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.312 4.797 2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -13.922 5.003 2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.224 2.569 2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.581 2.312 2.745 1.00 0.00 H new ATOM 794 N ASP A 54 -13.340 6.055 -0.579 1.00 0.00 N ATOM 795 CA ASP A 54 -13.398 7.375 -1.196 1.00 0.00 C ATOM 796 C ASP A 54 -13.507 8.466 -0.135 1.00 0.00 C ATOM 797 O ASP A 54 -14.406 8.442 0.705 1.00 0.00 O ATOM 798 CB ASP A 54 -14.584 7.461 -2.157 1.00 0.00 C ATOM 799 CG ASP A 54 -14.838 8.876 -2.639 1.00 0.00 C ATOM 800 OD1 ASP A 54 -15.261 9.716 -1.816 1.00 0.00 O ATOM 801 OD2 ASP A 54 -14.613 9.144 -3.837 1.00 0.00 O ATOM 0 H ASP A 54 -14.065 5.410 -0.894 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.475 7.528 -1.756 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.399 6.816 -3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.478 7.083 -1.661 1.00 0.00 H new ATOM 806 N GLY A 55 -12.584 9.422 -0.179 1.00 0.00 N ATOM 807 CA GLY A 55 -12.593 10.507 0.784 1.00 0.00 C ATOM 808 C GLY A 55 -11.806 10.178 2.037 1.00 0.00 C ATOM 809 O GLY A 55 -12.163 10.609 3.132 1.00 0.00 O ATOM 0 H GLY A 55 -11.830 9.464 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.177 11.402 0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.623 10.738 1.056 1.00 0.00 H new ATOM 813 N GLN A 56 -10.733 9.410 1.875 1.00 0.00 N ATOM 814 CA GLN A 56 -9.895 9.021 3.003 1.00 0.00 C ATOM 815 C GLN A 56 -8.467 9.525 2.819 1.00 0.00 C ATOM 816 O GLN A 56 -7.739 9.051 1.948 1.00 0.00 O ATOM 817 CB GLN A 56 -9.894 7.500 3.164 1.00 0.00 C ATOM 818 CG GLN A 56 -9.122 7.018 4.382 1.00 0.00 C ATOM 819 CD GLN A 56 -8.948 5.512 4.404 1.00 0.00 C ATOM 820 OE1 GLN A 56 -9.919 4.766 4.534 1.00 0.00 O ATOM 821 NE2 GLN A 56 -7.707 5.057 4.276 1.00 0.00 N ATOM 0 H GLN A 56 -10.424 9.045 0.974 1.00 0.00 H new ATOM 0 HA GLN A 56 -10.308 9.475 3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.924 7.150 3.235 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.464 7.048 2.270 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.141 7.494 4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -9.643 7.333 5.286 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -6.932 5.712 4.171 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -7.529 4.053 4.283 1.00 0.00 H new ATOM 830 N GLU A 57 -8.075 10.490 3.646 1.00 0.00 N ATOM 831 CA GLU A 57 -6.734 11.059 3.573 1.00 0.00 C ATOM 832 C GLU A 57 -5.681 9.958 3.474 1.00 0.00 C ATOM 833 O GLU A 57 -5.306 9.350 4.478 1.00 0.00 O ATOM 834 CB GLU A 57 -6.460 11.934 4.798 1.00 0.00 C ATOM 835 CG GLU A 57 -5.214 12.793 4.665 1.00 0.00 C ATOM 836 CD GLU A 57 -4.570 13.098 6.004 1.00 0.00 C ATOM 837 OE1 GLU A 57 -5.198 13.808 6.817 1.00 0.00 O ATOM 838 OE2 GLU A 57 -3.438 12.626 6.238 1.00 0.00 O ATOM 0 H GLU A 57 -8.666 10.893 4.373 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.676 11.675 2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.320 12.581 4.972 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.359 11.295 5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.492 12.283 4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.473 13.728 4.169 1.00 0.00 H new ATOM 845 N LEU A 58 -5.208 9.708 2.259 1.00 0.00 N ATOM 846 CA LEU A 58 -4.198 8.681 2.027 1.00 0.00 C ATOM 847 C LEU A 58 -2.879 9.053 2.697 1.00 0.00 C ATOM 848 O LEU A 58 -2.348 10.142 2.481 1.00 0.00 O ATOM 849 CB LEU A 58 -3.982 8.479 0.526 1.00 0.00 C ATOM 850 CG LEU A 58 -5.246 8.300 -0.316 1.00 0.00 C ATOM 851 CD1 LEU A 58 -5.033 8.843 -1.720 1.00 0.00 C ATOM 852 CD2 LEU A 58 -5.651 6.834 -0.365 1.00 0.00 C ATOM 0 H LEU A 58 -5.507 10.202 1.418 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.556 7.749 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.431 9.336 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.349 7.603 0.385 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.053 8.864 0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.943 8.707 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.791 9.904 -1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.212 8.307 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.552 6.725 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.845 6.249 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.846 6.476 0.646 1.00 0.00 H new ATOM 864 N ASP A 59 -2.356 8.141 3.508 1.00 0.00 N ATOM 865 CA ASP A 59 -1.097 8.371 4.207 1.00 0.00 C ATOM 866 C ASP A 59 -0.142 7.198 4.009 1.00 0.00 C ATOM 867 O ASP A 59 0.697 6.917 4.864 1.00 0.00 O ATOM 868 CB ASP A 59 -1.351 8.593 5.699 1.00 0.00 C ATOM 869 CG ASP A 59 -1.954 7.375 6.371 1.00 0.00 C ATOM 870 OD1 ASP A 59 -2.717 6.645 5.703 1.00 0.00 O ATOM 871 OD2 ASP A 59 -1.662 7.150 7.564 1.00 0.00 O ATOM 0 H ASP A 59 -2.784 7.235 3.698 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.635 9.265 3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.412 8.848 6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.020 9.444 5.828 1.00 0.00 H new ATOM 876 N SER A 60 -0.279 6.516 2.877 1.00 0.00 N ATOM 877 CA SER A 60 0.568 5.369 2.569 1.00 0.00 C ATOM 878 C SER A 60 0.346 4.899 1.134 1.00 0.00 C ATOM 879 O SER A 60 -0.778 4.910 0.634 1.00 0.00 O ATOM 880 CB SER A 60 0.285 4.223 3.542 1.00 0.00 C ATOM 881 OG SER A 60 1.109 4.315 4.692 1.00 0.00 O ATOM 0 H SER A 60 -0.968 6.737 2.158 1.00 0.00 H new ATOM 0 HA SER A 60 1.608 5.678 2.675 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.763 4.245 3.839 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.455 3.268 3.044 1.00 0.00 H new ATOM 0 HG SER A 60 0.993 5.195 5.108 1.00 0.00 H new ATOM 887 N TRP A 61 1.426 4.489 0.480 1.00 0.00 N ATOM 888 CA TRP A 61 1.350 4.015 -0.898 1.00 0.00 C ATOM 889 C TRP A 61 1.018 2.528 -0.945 1.00 0.00 C ATOM 890 O TRP A 61 1.543 1.740 -0.157 1.00 0.00 O ATOM 891 CB TRP A 61 2.671 4.278 -1.623 1.00 0.00 C ATOM 892 CG TRP A 61 2.618 3.963 -3.087 1.00 0.00 C ATOM 893 CD1 TRP A 61 1.556 4.145 -3.927 1.00 0.00 C ATOM 894 CD2 TRP A 61 3.671 3.410 -3.883 1.00 0.00 C ATOM 895 NE1 TRP A 61 1.886 3.738 -5.197 1.00 0.00 N ATOM 896 CE2 TRP A 61 3.178 3.283 -5.197 1.00 0.00 C ATOM 897 CE3 TRP A 61 4.983 3.010 -3.615 1.00 0.00 C ATOM 898 CZ2 TRP A 61 3.951 2.774 -6.236 1.00 0.00 C ATOM 899 CZ3 TRP A 61 5.749 2.504 -4.648 1.00 0.00 C ATOM 900 CH2 TRP A 61 5.232 2.390 -5.945 1.00 0.00 C ATOM 0 H TRP A 61 2.364 4.475 0.880 1.00 0.00 H new ATOM 0 HA TRP A 61 0.552 4.562 -1.400 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.946 5.325 -1.494 1.00 0.00 H new ATOM 0 HB3 TRP A 61 3.457 3.682 -1.159 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.598 4.549 -3.636 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.269 3.770 -6.009 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.391 3.095 -2.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.554 2.685 -7.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 6.764 2.191 -4.452 1.00 0.00 H new ATOM 0 HH2 TRP A 61 5.857 1.991 -6.731 1.00 0.00 H new ATOM 911 N TYR A 62 0.145 2.150 -1.871 1.00 0.00 N ATOM 912 CA TYR A 62 -0.258 0.756 -2.018 1.00 0.00 C ATOM 913 C TYR A 62 0.085 0.234 -3.410 1.00 0.00 C ATOM 914 O TYR A 62 -0.146 0.908 -4.414 1.00 0.00 O ATOM 915 CB TYR A 62 -1.759 0.608 -1.762 1.00 0.00 C ATOM 916 CG TYR A 62 -2.190 1.091 -0.396 1.00 0.00 C ATOM 917 CD1 TYR A 62 -2.291 2.449 -0.118 1.00 0.00 C ATOM 918 CD2 TYR A 62 -2.499 0.190 0.616 1.00 0.00 C ATOM 919 CE1 TYR A 62 -2.684 2.895 1.129 1.00 0.00 C ATOM 920 CE2 TYR A 62 -2.894 0.628 1.865 1.00 0.00 C ATOM 921 CZ TYR A 62 -2.985 1.981 2.117 1.00 0.00 C ATOM 922 OH TYR A 62 -3.378 2.421 3.360 1.00 0.00 O ATOM 0 H TYR A 62 -0.298 2.789 -2.532 1.00 0.00 H new ATOM 0 HA TYR A 62 0.290 0.166 -1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.306 1.164 -2.524 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.036 -0.440 -1.872 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.058 3.168 -0.890 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.429 -0.870 0.423 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.755 3.954 1.329 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.130 -0.085 2.641 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.554 1.650 3.939 1.00 0.00 H new ATOM 932 N VAL A 63 0.640 -0.973 -3.462 1.00 0.00 N ATOM 933 CA VAL A 63 1.014 -1.589 -4.729 1.00 0.00 C ATOM 934 C VAL A 63 0.609 -3.058 -4.768 1.00 0.00 C ATOM 935 O VAL A 63 1.045 -3.855 -3.936 1.00 0.00 O ATOM 936 CB VAL A 63 2.530 -1.480 -4.980 1.00 0.00 C ATOM 937 CG1 VAL A 63 2.906 -2.159 -6.288 1.00 0.00 C ATOM 938 CG2 VAL A 63 2.966 -0.022 -4.982 1.00 0.00 C ATOM 0 H VAL A 63 0.840 -1.544 -2.641 1.00 0.00 H new ATOM 0 HA VAL A 63 0.483 -1.048 -5.512 1.00 0.00 H new ATOM 0 HB VAL A 63 3.052 -1.991 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.981 -2.071 -6.448 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.631 -3.213 -6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.377 -1.680 -7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.040 0.036 -5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.437 0.515 -5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.734 0.429 -4.017 1.00 0.00 H new ATOM 948 N ILE A 64 -0.228 -3.410 -5.738 1.00 0.00 N ATOM 949 CA ILE A 64 -0.691 -4.784 -5.886 1.00 0.00 C ATOM 950 C ILE A 64 0.482 -5.753 -5.976 1.00 0.00 C ATOM 951 O ILE A 64 1.305 -5.667 -6.889 1.00 0.00 O ATOM 952 CB ILE A 64 -1.575 -4.948 -7.136 1.00 0.00 C ATOM 953 CG1 ILE A 64 -2.736 -3.953 -7.101 1.00 0.00 C ATOM 954 CG2 ILE A 64 -2.096 -6.375 -7.232 1.00 0.00 C ATOM 955 CD1 ILE A 64 -3.230 -3.552 -8.474 1.00 0.00 C ATOM 0 H ILE A 64 -0.599 -2.763 -6.433 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.282 -5.015 -5.000 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.971 -4.741 -8.020 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.562 -4.390 -6.540 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.422 -3.059 -6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.719 -6.476 -8.120 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.255 -7.066 -7.298 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.687 -6.607 -6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.053 -2.845 -8.372 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.418 -3.085 -9.031 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.575 -4.437 -9.009 1.00 0.00 H new ATOM 967 N LEU A 65 0.554 -6.677 -5.024 1.00 0.00 N ATOM 968 CA LEU A 65 1.626 -7.665 -4.995 1.00 0.00 C ATOM 969 C LEU A 65 1.174 -8.978 -5.627 1.00 0.00 C ATOM 970 O LEU A 65 1.923 -9.611 -6.369 1.00 0.00 O ATOM 971 CB LEU A 65 2.084 -7.910 -3.556 1.00 0.00 C ATOM 972 CG LEU A 65 2.791 -6.741 -2.869 1.00 0.00 C ATOM 973 CD1 LEU A 65 3.104 -7.083 -1.421 1.00 0.00 C ATOM 974 CD2 LEU A 65 4.063 -6.372 -3.619 1.00 0.00 C ATOM 0 H LEU A 65 -0.118 -6.762 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 65 2.462 -7.273 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.213 -8.183 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.755 -8.769 -3.551 1.00 0.00 H new ATOM 0 HG LEU A 65 2.123 -5.880 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.607 -6.239 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.177 -7.297 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.753 -7.958 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.553 -5.538 -3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.735 -7.230 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.813 -6.083 -4.640 1.00 0.00 H new ATOM 986 N ASN A 66 -0.058 -9.379 -5.328 1.00 0.00 N ATOM 987 CA ASN A 66 -0.611 -10.615 -5.868 1.00 0.00 C ATOM 988 C ASN A 66 -2.136 -10.567 -5.886 1.00 0.00 C ATOM 989 O ASN A 66 -2.765 -10.144 -4.917 1.00 0.00 O ATOM 990 CB ASN A 66 -0.137 -11.814 -5.043 1.00 0.00 C ATOM 991 CG ASN A 66 -0.185 -13.111 -5.827 1.00 0.00 C ATOM 992 OD1 ASN A 66 0.741 -13.433 -6.572 1.00 0.00 O ATOM 993 ND2 ASN A 66 -1.268 -13.862 -5.663 1.00 0.00 N ATOM 0 H ASN A 66 -0.691 -8.866 -4.715 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.257 -10.725 -6.893 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.883 -11.636 -4.702 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.759 -11.908 -4.153 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.357 -14.745 -6.165 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.011 -13.555 -5.035 1.00 0.00 H new ATOM 1000 N GLY A 67 -2.724 -11.003 -6.996 1.00 0.00 N ATOM 1001 CA GLY A 67 -4.169 -11.002 -7.120 1.00 0.00 C ATOM 1002 C GLY A 67 -4.677 -9.858 -7.975 1.00 0.00 C ATOM 1003 O GLY A 67 -3.894 -9.159 -8.620 1.00 0.00 O ATOM 0 H GLY A 67 -2.224 -11.357 -7.812 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.494 -11.948 -7.554 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.616 -10.936 -6.128 1.00 0.00 H new ATOM 1007 N THR A 68 -5.992 -9.665 -7.983 1.00 0.00 N ATOM 1008 CA THR A 68 -6.604 -8.600 -8.768 1.00 0.00 C ATOM 1009 C THR A 68 -7.416 -7.662 -7.882 1.00 0.00 C ATOM 1010 O THR A 68 -7.955 -8.073 -6.855 1.00 0.00 O ATOM 1011 CB THR A 68 -7.519 -9.168 -9.869 1.00 0.00 C ATOM 1012 OG1 THR A 68 -6.729 -9.660 -10.957 1.00 0.00 O ATOM 1013 CG2 THR A 68 -8.482 -8.104 -10.375 1.00 0.00 C ATOM 0 H THR A 68 -6.654 -10.233 -7.454 1.00 0.00 H new ATOM 0 HA THR A 68 -5.791 -8.043 -9.234 1.00 0.00 H new ATOM 0 HB THR A 68 -8.099 -9.987 -9.442 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.318 -10.021 -11.652 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.118 -8.529 -11.152 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.102 -7.753 -9.550 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.917 -7.267 -10.786 1.00 0.00 H new ATOM 1021 N VAL A 69 -7.500 -6.398 -8.287 1.00 0.00 N ATOM 1022 CA VAL A 69 -8.248 -5.401 -7.530 1.00 0.00 C ATOM 1023 C VAL A 69 -9.141 -4.572 -8.447 1.00 0.00 C ATOM 1024 O VAL A 69 -8.704 -4.106 -9.498 1.00 0.00 O ATOM 1025 CB VAL A 69 -7.305 -4.458 -6.760 1.00 0.00 C ATOM 1026 CG1 VAL A 69 -6.546 -5.222 -5.686 1.00 0.00 C ATOM 1027 CG2 VAL A 69 -6.344 -3.768 -7.716 1.00 0.00 C ATOM 0 H VAL A 69 -7.059 -6.041 -9.135 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.868 -5.944 -6.817 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.906 -3.692 -6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.885 -4.539 -5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.254 -5.664 -4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.955 -6.011 -6.150 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.685 -3.106 -7.155 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.747 -4.517 -8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.910 -3.186 -8.443 1.00 0.00 H new ATOM 1037 N GLU A 70 -10.393 -4.393 -8.040 1.00 0.00 N ATOM 1038 CA GLU A 70 -11.348 -3.620 -8.826 1.00 0.00 C ATOM 1039 C GLU A 70 -11.728 -2.330 -8.104 1.00 0.00 C ATOM 1040 O GLU A 70 -12.059 -2.345 -6.918 1.00 0.00 O ATOM 1041 CB GLU A 70 -12.603 -4.450 -9.105 1.00 0.00 C ATOM 1042 CG GLU A 70 -13.597 -3.760 -10.024 1.00 0.00 C ATOM 1043 CD GLU A 70 -14.993 -4.342 -9.916 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -15.585 -4.263 -8.820 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -15.492 -4.878 -10.928 1.00 0.00 O ATOM 0 H GLU A 70 -10.770 -4.772 -7.171 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.875 -3.361 -9.773 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.308 -5.400 -9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.094 -4.680 -8.159 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.631 -2.697 -9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.252 -3.843 -11.054 1.00 0.00 H new ATOM 1052 N ILE A 71 -11.678 -1.218 -8.828 1.00 0.00 N ATOM 1053 CA ILE A 71 -12.017 0.080 -8.258 1.00 0.00 C ATOM 1054 C ILE A 71 -13.358 0.579 -8.787 1.00 0.00 C ATOM 1055 O ILE A 71 -13.669 0.422 -9.967 1.00 0.00 O ATOM 1056 CB ILE A 71 -10.934 1.131 -8.566 1.00 0.00 C ATOM 1057 CG1 ILE A 71 -9.556 0.610 -8.154 1.00 0.00 C ATOM 1058 CG2 ILE A 71 -11.247 2.438 -7.853 1.00 0.00 C ATOM 1059 CD1 ILE A 71 -8.415 1.494 -8.607 1.00 0.00 C ATOM 0 H ILE A 71 -11.406 -1.189 -9.811 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.082 -0.057 -7.179 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.925 1.319 -9.640 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.522 0.515 -7.069 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.416 -0.389 -8.566 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -10.473 3.171 -8.080 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.213 2.814 -8.190 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -11.280 2.267 -6.777 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.469 1.063 -8.280 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.423 1.569 -9.694 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.530 2.487 -8.174 1.00 0.00 H new ATOM 1071 N SER A 72 -14.148 1.183 -7.905 1.00 0.00 N ATOM 1072 CA SER A 72 -15.457 1.704 -8.281 1.00 0.00 C ATOM 1073 C SER A 72 -15.569 3.187 -7.942 1.00 0.00 C ATOM 1074 O SER A 72 -14.981 3.660 -6.969 1.00 0.00 O ATOM 1075 CB SER A 72 -16.564 0.922 -7.573 1.00 0.00 C ATOM 1076 OG SER A 72 -17.816 1.122 -8.206 1.00 0.00 O ATOM 0 H SER A 72 -13.904 1.324 -6.925 1.00 0.00 H new ATOM 0 HA SER A 72 -15.572 1.586 -9.358 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.319 -0.140 -7.572 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.626 1.236 -6.531 1.00 0.00 H new ATOM 0 HG SER A 72 -18.506 0.610 -7.735 1.00 0.00 H new ATOM 1082 N HIS A 73 -16.329 3.917 -8.753 1.00 0.00 N ATOM 1083 CA HIS A 73 -16.520 5.347 -8.539 1.00 0.00 C ATOM 1084 C HIS A 73 -17.987 5.664 -8.260 1.00 0.00 C ATOM 1085 O HIS A 73 -18.896 5.018 -8.781 1.00 0.00 O ATOM 1086 CB HIS A 73 -16.040 6.135 -9.758 1.00 0.00 C ATOM 1087 CG HIS A 73 -14.571 6.000 -10.017 1.00 0.00 C ATOM 1088 ND1 HIS A 73 -13.632 6.869 -9.501 1.00 0.00 N ATOM 1089 CD2 HIS A 73 -13.880 5.089 -10.742 1.00 0.00 C ATOM 1090 CE1 HIS A 73 -12.428 6.499 -9.898 1.00 0.00 C ATOM 1091 NE2 HIS A 73 -12.550 5.422 -10.652 1.00 0.00 N ATOM 0 H HIS A 73 -16.822 3.542 -9.563 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.931 5.641 -7.670 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -16.588 5.798 -10.638 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -16.281 7.189 -9.617 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -13.836 7.672 -8.906 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -14.296 4.256 -11.289 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -11.501 6.993 -9.648 1.00 0.00 H new ATOM 1100 N PRO A 74 -18.223 6.681 -7.418 1.00 0.00 N ATOM 1101 CA PRO A 74 -19.577 7.106 -7.051 1.00 0.00 C ATOM 1102 C PRO A 74 -20.312 7.767 -8.212 1.00 0.00 C ATOM 1103 O PRO A 74 -21.535 7.909 -8.184 1.00 0.00 O ATOM 1104 CB PRO A 74 -19.339 8.115 -5.925 1.00 0.00 C ATOM 1105 CG PRO A 74 -17.965 8.637 -6.168 1.00 0.00 C ATOM 1106 CD PRO A 74 -17.187 7.495 -6.761 1.00 0.00 C ATOM 0 HA PRO A 74 -20.204 6.263 -6.761 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.077 8.917 -5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -19.415 7.641 -4.946 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -17.986 9.489 -6.847 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -17.508 8.980 -5.240 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -16.439 7.845 -7.473 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -16.657 6.929 -5.995 1.00 0.00 H new ATOM 1114 N ASP A 75 -19.560 8.168 -9.230 1.00 0.00 N ATOM 1115 CA ASP A 75 -20.141 8.813 -10.402 1.00 0.00 C ATOM 1116 C ASP A 75 -20.785 7.784 -11.325 1.00 0.00 C ATOM 1117 O ASP A 75 -21.915 7.963 -11.779 1.00 0.00 O ATOM 1118 CB ASP A 75 -19.071 9.599 -11.161 1.00 0.00 C ATOM 1119 CG ASP A 75 -18.818 10.966 -10.557 1.00 0.00 C ATOM 1120 OD1 ASP A 75 -19.544 11.917 -10.915 1.00 0.00 O ATOM 1121 OD2 ASP A 75 -17.895 11.085 -9.725 1.00 0.00 O ATOM 0 H ASP A 75 -18.547 8.058 -9.268 1.00 0.00 H new ATOM 0 HA ASP A 75 -20.913 9.502 -10.061 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -18.141 9.030 -11.166 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -19.379 9.716 -12.200 1.00 0.00 H new ATOM 1126 N GLY A 76 -20.058 6.705 -11.600 1.00 0.00 N ATOM 1127 CA GLY A 76 -20.574 5.664 -12.469 1.00 0.00 C ATOM 1128 C GLY A 76 -19.488 5.013 -13.303 1.00 0.00 C ATOM 1129 O GLY A 76 -19.705 4.681 -14.469 1.00 0.00 O ATOM 0 H GLY A 76 -19.121 6.534 -11.236 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -21.069 4.903 -11.865 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -21.330 6.088 -13.130 1.00 0.00 H new ATOM 1133 N LYS A 77 -18.315 4.832 -12.706 1.00 0.00 N ATOM 1134 CA LYS A 77 -17.190 4.217 -13.401 1.00 0.00 C ATOM 1135 C LYS A 77 -16.482 3.207 -12.503 1.00 0.00 C ATOM 1136 O LYS A 77 -16.454 3.360 -11.281 1.00 0.00 O ATOM 1137 CB LYS A 77 -16.199 5.290 -13.859 1.00 0.00 C ATOM 1138 CG LYS A 77 -15.370 4.878 -15.063 1.00 0.00 C ATOM 1139 CD LYS A 77 -14.100 5.704 -15.174 1.00 0.00 C ATOM 1140 CE LYS A 77 -13.640 5.827 -16.619 1.00 0.00 C ATOM 1141 NZ LYS A 77 -12.902 7.098 -16.859 1.00 0.00 N ATOM 0 H LYS A 77 -18.118 5.102 -11.742 1.00 0.00 H new ATOM 0 HA LYS A 77 -17.578 3.692 -14.274 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.748 6.200 -14.101 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.530 5.531 -13.033 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.112 3.822 -14.984 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.962 4.995 -15.971 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.273 6.697 -14.760 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.312 5.244 -14.578 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.999 4.982 -16.869 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.505 5.778 -17.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.605 7.144 -17.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.522 7.905 -16.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.063 7.133 -16.246 1.00 0.00 H new ATOM 1155 N VAL A 78 -15.910 2.176 -13.116 1.00 0.00 N ATOM 1156 CA VAL A 78 -15.200 1.142 -12.372 1.00 0.00 C ATOM 1157 C VAL A 78 -13.912 0.741 -13.082 1.00 0.00 C ATOM 1158 O VAL A 78 -13.942 0.217 -14.194 1.00 0.00 O ATOM 1159 CB VAL A 78 -16.076 -0.110 -12.176 1.00 0.00 C ATOM 1160 CG1 VAL A 78 -15.376 -1.115 -11.274 1.00 0.00 C ATOM 1161 CG2 VAL A 78 -17.434 0.274 -11.607 1.00 0.00 C ATOM 0 H VAL A 78 -15.924 2.034 -14.126 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.958 1.564 -11.396 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.234 -0.578 -13.148 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -16.010 -1.993 -11.147 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -14.430 -1.413 -11.726 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.186 -0.661 -10.302 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -18.040 -0.622 -11.475 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -17.299 0.766 -10.644 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -17.937 0.954 -12.294 1.00 0.00 H new ATOM 1171 N GLU A 79 -12.781 0.992 -12.429 1.00 0.00 N ATOM 1172 CA GLU A 79 -11.481 0.657 -12.999 1.00 0.00 C ATOM 1173 C GLU A 79 -11.081 -0.771 -12.640 1.00 0.00 C ATOM 1174 O GLU A 79 -11.581 -1.342 -11.671 1.00 0.00 O ATOM 1175 CB GLU A 79 -10.415 1.636 -12.504 1.00 0.00 C ATOM 1176 CG GLU A 79 -10.264 2.867 -13.383 1.00 0.00 C ATOM 1177 CD GLU A 79 -9.832 2.525 -14.796 1.00 0.00 C ATOM 1178 OE1 GLU A 79 -8.936 1.670 -14.952 1.00 0.00 O ATOM 1179 OE2 GLU A 79 -10.392 3.113 -15.745 1.00 0.00 O ATOM 0 H GLU A 79 -12.739 1.425 -11.507 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.558 0.733 -14.084 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.666 1.952 -11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -9.457 1.119 -12.449 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.212 3.403 -13.417 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.533 3.540 -12.936 1.00 0.00 H new ATOM 1186 N ASN A 80 -10.177 -1.342 -13.428 1.00 0.00 N ATOM 1187 CA ASN A 80 -9.710 -2.704 -13.195 1.00 0.00 C ATOM 1188 C ASN A 80 -8.188 -2.779 -13.273 1.00 0.00 C ATOM 1189 O ASN A 80 -7.602 -2.614 -14.344 1.00 0.00 O ATOM 1190 CB ASN A 80 -10.332 -3.661 -14.214 1.00 0.00 C ATOM 1191 CG ASN A 80 -10.540 -3.008 -15.567 1.00 0.00 C ATOM 1192 OD1 ASN A 80 -11.314 -2.060 -15.699 1.00 0.00 O ATOM 1193 ND2 ASN A 80 -9.848 -3.515 -16.581 1.00 0.00 N ATOM 0 H ASN A 80 -9.753 -0.883 -14.234 1.00 0.00 H new ATOM 0 HA ASN A 80 -10.020 -3.000 -12.193 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.689 -4.533 -14.329 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -11.289 -4.019 -13.835 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.947 -3.118 -17.515 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.218 -4.302 -16.425 1.00 0.00 H new ATOM 1200 N LEU A 81 -7.554 -3.029 -12.133 1.00 0.00 N ATOM 1201 CA LEU A 81 -6.100 -3.126 -12.072 1.00 0.00 C ATOM 1202 C LEU A 81 -5.658 -4.576 -11.904 1.00 0.00 C ATOM 1203 O LEU A 81 -6.405 -5.408 -11.389 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.560 -2.280 -10.918 1.00 0.00 C ATOM 1205 CG LEU A 81 -5.886 -0.787 -10.972 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.505 -0.110 -9.664 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -5.172 -0.127 -12.143 1.00 0.00 C ATOM 0 H LEU A 81 -8.024 -3.168 -11.238 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.696 -2.748 -13.011 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.951 -2.683 -9.984 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.476 -2.394 -10.886 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.960 -0.674 -11.117 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.744 0.952 -9.721 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.061 -0.564 -8.844 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.436 -0.232 -9.489 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.416 0.935 -12.166 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.095 -0.250 -12.029 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.493 -0.593 -13.074 1.00 0.00 H new ATOM 1219 N PHE A 82 -4.438 -4.872 -12.341 1.00 0.00 N ATOM 1220 CA PHE A 82 -3.895 -6.222 -12.238 1.00 0.00 C ATOM 1221 C PHE A 82 -2.477 -6.196 -11.676 1.00 0.00 C ATOM 1222 O PHE A 82 -1.802 -5.167 -11.711 1.00 0.00 O ATOM 1223 CB PHE A 82 -3.901 -6.903 -13.608 1.00 0.00 C ATOM 1224 CG PHE A 82 -5.233 -6.845 -14.300 1.00 0.00 C ATOM 1225 CD1 PHE A 82 -6.332 -7.502 -13.771 1.00 0.00 C ATOM 1226 CD2 PHE A 82 -5.385 -6.134 -15.479 1.00 0.00 C ATOM 1227 CE1 PHE A 82 -7.558 -7.452 -14.407 1.00 0.00 C ATOM 1228 CE2 PHE A 82 -6.609 -6.079 -16.119 1.00 0.00 C ATOM 1229 CZ PHE A 82 -7.697 -6.738 -15.581 1.00 0.00 C ATOM 0 H PHE A 82 -3.807 -4.195 -12.770 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.527 -6.790 -11.555 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.150 -6.432 -14.242 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.608 -7.946 -13.488 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.230 -8.059 -12.852 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.537 -5.617 -15.903 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -8.407 -7.971 -13.986 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -6.714 -5.522 -17.038 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.655 -6.695 -16.078 1.00 0.00 H new ATOM 1239 N MET A 83 -2.031 -7.336 -11.157 1.00 0.00 N ATOM 1240 CA MET A 83 -0.693 -7.445 -10.589 1.00 0.00 C ATOM 1241 C MET A 83 0.306 -6.612 -11.386 1.00 0.00 C ATOM 1242 O MET A 83 0.640 -6.946 -12.522 1.00 0.00 O ATOM 1243 CB MET A 83 -0.246 -8.908 -10.558 1.00 0.00 C ATOM 1244 CG MET A 83 1.231 -9.086 -10.247 1.00 0.00 C ATOM 1245 SD MET A 83 1.699 -10.817 -10.064 1.00 0.00 S ATOM 1246 CE MET A 83 3.359 -10.653 -9.413 1.00 0.00 C ATOM 0 H MET A 83 -2.577 -8.197 -11.118 1.00 0.00 H new ATOM 0 HA MET A 83 -0.726 -7.062 -9.569 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.833 -9.443 -9.811 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.463 -9.366 -11.523 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.823 -8.636 -11.044 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.472 -8.550 -9.329 1.00 0.00 H new ATOM 0 HE1 MET A 83 3.784 -11.643 -9.247 1.00 0.00 H new ATOM 0 HE2 MET A 83 3.977 -10.108 -10.126 1.00 0.00 H new ATOM 0 HE3 MET A 83 3.328 -10.108 -8.469 1.00 0.00 H new ATOM 1256 N GLY A 84 0.780 -5.527 -10.782 1.00 0.00 N ATOM 1257 CA GLY A 84 1.736 -4.663 -11.451 1.00 0.00 C ATOM 1258 C GLY A 84 1.396 -3.194 -11.299 1.00 0.00 C ATOM 1259 O GLY A 84 2.286 -2.348 -11.231 1.00 0.00 O ATOM 0 H GLY A 84 0.519 -5.230 -9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.731 -4.846 -11.046 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.771 -4.917 -12.510 1.00 0.00 H new ATOM 1263 N ASN A 85 0.103 -2.890 -11.248 1.00 0.00 N ATOM 1264 CA ASN A 85 -0.353 -1.512 -11.105 1.00 0.00 C ATOM 1265 C ASN A 85 0.001 -0.962 -9.727 1.00 0.00 C ATOM 1266 O ASN A 85 0.498 -1.688 -8.866 1.00 0.00 O ATOM 1267 CB ASN A 85 -1.864 -1.427 -11.328 1.00 0.00 C ATOM 1268 CG ASN A 85 -2.316 -0.028 -11.699 1.00 0.00 C ATOM 1269 OD1 ASN A 85 -2.541 0.815 -10.830 1.00 0.00 O ATOM 1270 ND2 ASN A 85 -2.451 0.226 -12.996 1.00 0.00 N ATOM 0 H ASN A 85 -0.647 -3.579 -11.304 1.00 0.00 H new ATOM 0 HA ASN A 85 0.153 -0.908 -11.858 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -2.151 -2.120 -12.119 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -2.381 -1.745 -10.422 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -2.752 1.150 -13.306 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.254 -0.503 -13.682 1.00 0.00 H new ATOM 1277 N SER A 86 -0.259 0.326 -9.525 1.00 0.00 N ATOM 1278 CA SER A 86 0.034 0.975 -8.252 1.00 0.00 C ATOM 1279 C SER A 86 -1.013 2.036 -7.929 1.00 0.00 C ATOM 1280 O SER A 86 -1.410 2.817 -8.794 1.00 0.00 O ATOM 1281 CB SER A 86 1.426 1.610 -8.289 1.00 0.00 C ATOM 1282 OG SER A 86 1.602 2.385 -9.462 1.00 0.00 O ATOM 0 H SER A 86 -0.672 0.941 -10.226 1.00 0.00 H new ATOM 0 HA SER A 86 0.009 0.216 -7.470 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.566 2.239 -7.410 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.186 0.830 -8.247 1.00 0.00 H new ATOM 0 HG SER A 86 2.428 2.907 -9.388 1.00 0.00 H new ATOM 1288 N PHE A 87 -1.458 2.057 -6.677 1.00 0.00 N ATOM 1289 CA PHE A 87 -2.461 3.021 -6.238 1.00 0.00 C ATOM 1290 C PHE A 87 -2.191 3.471 -4.805 1.00 0.00 C ATOM 1291 O PHE A 87 -1.699 2.700 -3.983 1.00 0.00 O ATOM 1292 CB PHE A 87 -3.861 2.413 -6.339 1.00 0.00 C ATOM 1293 CG PHE A 87 -4.068 1.229 -5.438 1.00 0.00 C ATOM 1294 CD1 PHE A 87 -4.355 1.407 -4.094 1.00 0.00 C ATOM 1295 CD2 PHE A 87 -3.976 -0.061 -5.935 1.00 0.00 C ATOM 1296 CE1 PHE A 87 -4.544 0.319 -3.263 1.00 0.00 C ATOM 1297 CE2 PHE A 87 -4.164 -1.152 -5.108 1.00 0.00 C ATOM 1298 CZ PHE A 87 -4.450 -0.962 -3.771 1.00 0.00 C ATOM 0 H PHE A 87 -1.140 1.418 -5.948 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.403 3.892 -6.891 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.599 3.178 -6.096 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.043 2.111 -7.370 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.432 2.406 -3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.755 -0.216 -6.981 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.765 0.470 -2.217 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.087 -2.153 -5.507 1.00 0.00 H new ATOM 0 HZ PHE A 87 -4.600 -1.813 -3.123 1.00 0.00 H new ATOM 1308 N GLY A 88 -2.518 4.727 -4.514 1.00 0.00 N ATOM 1309 CA GLY A 88 -2.304 5.259 -3.182 1.00 0.00 C ATOM 1310 C GLY A 88 -1.924 6.726 -3.198 1.00 0.00 C ATOM 1311 O GLY A 88 -2.735 7.581 -3.558 1.00 0.00 O ATOM 0 H GLY A 88 -2.927 5.385 -5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.211 5.128 -2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.517 4.688 -2.688 1.00 0.00 H new ATOM 1315 N ILE A 89 -0.689 7.020 -2.806 1.00 0.00 N ATOM 1316 CA ILE A 89 -0.204 8.394 -2.776 1.00 0.00 C ATOM 1317 C ILE A 89 1.004 8.571 -3.690 1.00 0.00 C ATOM 1318 O ILE A 89 1.435 7.629 -4.357 1.00 0.00 O ATOM 1319 CB ILE A 89 0.180 8.825 -1.348 1.00 0.00 C ATOM 1320 CG1 ILE A 89 1.134 7.805 -0.723 1.00 0.00 C ATOM 1321 CG2 ILE A 89 -1.066 8.988 -0.491 1.00 0.00 C ATOM 1322 CD1 ILE A 89 2.068 8.403 0.306 1.00 0.00 C ATOM 0 H ILE A 89 -0.006 6.325 -2.505 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.020 9.024 -3.130 1.00 0.00 H new ATOM 0 HB ILE A 89 0.690 9.787 -1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.550 7.013 -0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.725 7.341 -1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.778 9.293 0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.712 9.748 -0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.602 8.040 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.715 7.623 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.678 9.176 -0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.485 8.842 1.115 1.00 0.00 H new ATOM 1334 N THR A 90 1.548 9.783 -3.716 1.00 0.00 N ATOM 1335 CA THR A 90 2.707 10.084 -4.547 1.00 0.00 C ATOM 1336 C THR A 90 3.980 10.155 -3.711 1.00 0.00 C ATOM 1337 O THR A 90 3.944 10.373 -2.500 1.00 0.00 O ATOM 1338 CB THR A 90 2.527 11.415 -5.301 1.00 0.00 C ATOM 1339 OG1 THR A 90 1.842 12.360 -4.472 1.00 0.00 O ATOM 1340 CG2 THR A 90 1.747 11.205 -6.591 1.00 0.00 C ATOM 0 H THR A 90 1.204 10.573 -3.170 1.00 0.00 H new ATOM 0 HA THR A 90 2.796 9.274 -5.271 1.00 0.00 H new ATOM 0 HB THR A 90 3.515 11.802 -5.551 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.416 13.140 -4.321 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.632 12.159 -7.106 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.286 10.508 -7.233 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.763 10.797 -6.359 1.00 0.00 H new ATOM 1348 N PRO A 91 5.133 9.967 -4.371 1.00 0.00 N ATOM 1349 CA PRO A 91 6.439 10.007 -3.707 1.00 0.00 C ATOM 1350 C PRO A 91 6.815 11.412 -3.250 1.00 0.00 C ATOM 1351 O PRO A 91 7.893 11.629 -2.696 1.00 0.00 O ATOM 1352 CB PRO A 91 7.403 9.522 -4.793 1.00 0.00 C ATOM 1353 CG PRO A 91 6.723 9.849 -6.077 1.00 0.00 C ATOM 1354 CD PRO A 91 5.249 9.703 -5.815 1.00 0.00 C ATOM 0 HA PRO A 91 6.455 9.401 -2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.368 10.023 -4.718 1.00 0.00 H new ATOM 0 HB3 PRO A 91 7.591 8.452 -4.706 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.964 10.862 -6.399 1.00 0.00 H new ATOM 0 HG3 PRO A 91 7.046 9.177 -6.872 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.664 10.412 -6.402 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.892 8.706 -6.071 1.00 0.00 H new ATOM 1362 N THR A 92 5.919 12.366 -3.486 1.00 0.00 N ATOM 1363 CA THR A 92 6.158 13.751 -3.099 1.00 0.00 C ATOM 1364 C THR A 92 5.433 14.092 -1.802 1.00 0.00 C ATOM 1365 O THR A 92 4.266 13.742 -1.621 1.00 0.00 O ATOM 1366 CB THR A 92 5.703 14.727 -4.200 1.00 0.00 C ATOM 1367 OG1 THR A 92 4.294 14.598 -4.419 1.00 0.00 O ATOM 1368 CG2 THR A 92 6.449 14.463 -5.500 1.00 0.00 C ATOM 0 H THR A 92 5.022 12.205 -3.943 1.00 0.00 H new ATOM 0 HA THR A 92 7.233 13.857 -2.950 1.00 0.00 H new ATOM 0 HB THR A 92 5.927 15.741 -3.870 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.013 15.223 -5.119 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.111 15.165 -6.263 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.519 14.591 -5.338 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.252 13.444 -5.832 1.00 0.00 H new ATOM 1376 N LEU A 93 6.131 14.777 -0.903 1.00 0.00 N ATOM 1377 CA LEU A 93 5.553 15.167 0.378 1.00 0.00 C ATOM 1378 C LEU A 93 4.077 15.519 0.226 1.00 0.00 C ATOM 1379 O LEU A 93 3.279 15.305 1.139 1.00 0.00 O ATOM 1380 CB LEU A 93 6.315 16.357 0.963 1.00 0.00 C ATOM 1381 CG LEU A 93 7.680 16.044 1.577 1.00 0.00 C ATOM 1382 CD1 LEU A 93 8.343 17.317 2.081 1.00 0.00 C ATOM 1383 CD2 LEU A 93 7.538 15.032 2.705 1.00 0.00 C ATOM 0 H LEU A 93 7.098 15.074 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 93 5.637 14.320 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.455 17.096 0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.692 16.821 1.728 1.00 0.00 H new ATOM 0 HG LEU A 93 8.314 15.610 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.313 17.075 2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.479 18.010 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.712 17.780 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.519 14.821 3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.887 15.439 3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.106 14.110 2.315 1.00 0.00 H new ATOM 1395 N ASP A 94 3.719 16.058 -0.935 1.00 0.00 N ATOM 1396 CA ASP A 94 2.338 16.436 -1.209 1.00 0.00 C ATOM 1397 C ASP A 94 1.378 15.323 -0.801 1.00 0.00 C ATOM 1398 O ASP A 94 1.685 14.140 -0.947 1.00 0.00 O ATOM 1399 CB ASP A 94 2.161 16.761 -2.693 1.00 0.00 C ATOM 1400 CG ASP A 94 2.889 18.027 -3.099 1.00 0.00 C ATOM 1401 OD1 ASP A 94 4.079 17.935 -3.466 1.00 0.00 O ATOM 1402 OD2 ASP A 94 2.270 19.111 -3.050 1.00 0.00 O ATOM 0 H ASP A 94 4.367 16.243 -1.701 1.00 0.00 H new ATOM 0 HA ASP A 94 2.107 17.324 -0.620 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.528 15.927 -3.291 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.099 16.869 -2.914 1.00 0.00 H new ATOM 1407 N LYS A 95 0.215 15.710 -0.289 1.00 0.00 N ATOM 1408 CA LYS A 95 -0.791 14.746 0.141 1.00 0.00 C ATOM 1409 C LYS A 95 -1.935 14.669 -0.865 1.00 0.00 C ATOM 1410 O LYS A 95 -2.113 15.569 -1.685 1.00 0.00 O ATOM 1411 CB LYS A 95 -1.335 15.126 1.520 1.00 0.00 C ATOM 1412 CG LYS A 95 -0.364 14.848 2.654 1.00 0.00 C ATOM 1413 CD LYS A 95 0.548 16.035 2.911 1.00 0.00 C ATOM 1414 CE LYS A 95 -0.159 17.119 3.710 1.00 0.00 C ATOM 1415 NZ LYS A 95 0.740 18.271 3.998 1.00 0.00 N ATOM 0 H LYS A 95 -0.055 16.685 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.317 13.766 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.589 16.186 1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.259 14.577 1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.921 14.613 3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.237 13.972 2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.435 15.703 3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.889 16.446 1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.031 17.468 3.156 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.524 16.700 4.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.221 18.988 4.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.559 17.943 4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.068 18.687 3.103 1.00 0.00 H new ATOM 1429 N GLN A 96 -2.707 13.589 -0.795 1.00 0.00 N ATOM 1430 CA GLN A 96 -3.834 13.397 -1.700 1.00 0.00 C ATOM 1431 C GLN A 96 -4.866 12.453 -1.091 1.00 0.00 C ATOM 1432 O GLN A 96 -4.520 11.539 -0.342 1.00 0.00 O ATOM 1433 CB GLN A 96 -3.349 12.845 -3.042 1.00 0.00 C ATOM 1434 CG GLN A 96 -2.818 11.423 -2.959 1.00 0.00 C ATOM 1435 CD GLN A 96 -1.692 11.163 -3.940 1.00 0.00 C ATOM 1436 OE1 GLN A 96 -1.862 10.436 -4.920 1.00 0.00 O ATOM 1437 NE2 GLN A 96 -0.532 11.756 -3.682 1.00 0.00 N ATOM 0 H GLN A 96 -2.573 12.835 -0.122 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.306 14.366 -1.863 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -4.172 12.876 -3.757 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.565 13.495 -3.431 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.464 11.230 -1.946 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.631 10.724 -3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.435 12.350 -2.859 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.262 11.617 -4.307 1.00 0.00 H new ATOM 1446 N TYR A 97 -6.133 12.680 -1.418 1.00 0.00 N ATOM 1447 CA TYR A 97 -7.216 11.851 -0.901 1.00 0.00 C ATOM 1448 C TYR A 97 -7.714 10.878 -1.966 1.00 0.00 C ATOM 1449 O TYR A 97 -7.487 11.078 -3.159 1.00 0.00 O ATOM 1450 CB TYR A 97 -8.371 12.729 -0.416 1.00 0.00 C ATOM 1451 CG TYR A 97 -8.091 13.427 0.896 1.00 0.00 C ATOM 1452 CD1 TYR A 97 -6.924 14.158 1.080 1.00 0.00 C ATOM 1453 CD2 TYR A 97 -8.993 13.355 1.950 1.00 0.00 C ATOM 1454 CE1 TYR A 97 -6.663 14.798 2.277 1.00 0.00 C ATOM 1455 CE2 TYR A 97 -8.741 13.993 3.150 1.00 0.00 C ATOM 1456 CZ TYR A 97 -7.575 14.713 3.308 1.00 0.00 C ATOM 1457 OH TYR A 97 -7.321 15.348 4.502 1.00 0.00 O ATOM 0 H TYR A 97 -6.436 13.431 -2.038 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.829 11.274 -0.061 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.591 13.478 -1.177 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.264 12.113 -0.307 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.209 14.227 0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.906 12.791 1.830 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -5.750 15.361 2.404 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.453 13.928 3.959 1.00 0.00 H new ATOM 0 HH TYR A 97 -8.064 15.189 5.121 1.00 0.00 H new ATOM 1467 N MET A 98 -8.394 9.826 -1.525 1.00 0.00 N ATOM 1468 CA MET A 98 -8.926 8.822 -2.439 1.00 0.00 C ATOM 1469 C MET A 98 -10.078 9.392 -3.261 1.00 0.00 C ATOM 1470 O MET A 98 -10.786 10.295 -2.813 1.00 0.00 O ATOM 1471 CB MET A 98 -9.399 7.592 -1.662 1.00 0.00 C ATOM 1472 CG MET A 98 -9.611 6.366 -2.535 1.00 0.00 C ATOM 1473 SD MET A 98 -8.073 5.737 -3.234 1.00 0.00 S ATOM 1474 CE MET A 98 -8.698 4.734 -4.580 1.00 0.00 C ATOM 0 H MET A 98 -8.590 9.646 -0.540 1.00 0.00 H new ATOM 0 HA MET A 98 -8.127 8.527 -3.120 1.00 0.00 H new ATOM 0 HB2 MET A 98 -8.666 7.356 -0.890 1.00 0.00 H new ATOM 0 HB3 MET A 98 -10.333 7.831 -1.153 1.00 0.00 H new ATOM 0 HG2 MET A 98 -10.085 5.582 -1.944 1.00 0.00 H new ATOM 0 HG3 MET A 98 -10.298 6.615 -3.344 1.00 0.00 H new ATOM 0 HE1 MET A 98 -8.025 3.894 -4.751 1.00 0.00 H new ATOM 0 HE2 MET A 98 -9.689 4.359 -4.325 1.00 0.00 H new ATOM 0 HE3 MET A 98 -8.761 5.338 -5.485 1.00 0.00 H new ATOM 1484 N HIS A 99 -10.260 8.860 -4.466 1.00 0.00 N ATOM 1485 CA HIS A 99 -11.326 9.317 -5.350 1.00 0.00 C ATOM 1486 C HIS A 99 -12.243 8.160 -5.737 1.00 0.00 C ATOM 1487 O HIS A 99 -12.766 8.115 -6.850 1.00 0.00 O ATOM 1488 CB HIS A 99 -10.736 9.958 -6.607 1.00 0.00 C ATOM 1489 CG HIS A 99 -9.401 9.399 -6.993 1.00 0.00 C ATOM 1490 ND1 HIS A 99 -9.213 8.597 -8.099 1.00 0.00 N ATOM 1491 CD2 HIS A 99 -8.184 9.534 -6.416 1.00 0.00 C ATOM 1492 CE1 HIS A 99 -7.938 8.260 -8.183 1.00 0.00 C ATOM 1493 NE2 HIS A 99 -7.292 8.816 -7.174 1.00 0.00 N ATOM 0 H HIS A 99 -9.683 8.113 -4.852 1.00 0.00 H new ATOM 0 HA HIS A 99 -11.915 10.062 -4.814 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.431 9.822 -7.435 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -10.639 11.032 -6.446 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -7.957 10.101 -5.525 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.499 7.636 -8.947 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.293 8.727 -6.988 1.00 0.00 H new ATOM 1502 N GLY A 100 -12.433 7.226 -4.810 1.00 0.00 N ATOM 1503 CA GLY A 100 -13.286 6.082 -5.074 1.00 0.00 C ATOM 1504 C GLY A 100 -13.087 4.966 -4.068 1.00 0.00 C ATOM 1505 O GLY A 100 -12.449 5.161 -3.033 1.00 0.00 O ATOM 0 H GLY A 100 -12.012 7.241 -3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.329 6.399 -5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -13.082 5.704 -6.076 1.00 0.00 H new ATOM 1509 N ILE A 101 -13.634 3.794 -4.371 1.00 0.00 N ATOM 1510 CA ILE A 101 -13.513 2.643 -3.484 1.00 0.00 C ATOM 1511 C ILE A 101 -12.735 1.514 -4.152 1.00 0.00 C ATOM 1512 O ILE A 101 -12.893 1.258 -5.346 1.00 0.00 O ATOM 1513 CB ILE A 101 -14.895 2.115 -3.056 1.00 0.00 C ATOM 1514 CG1 ILE A 101 -15.683 3.210 -2.334 1.00 0.00 C ATOM 1515 CG2 ILE A 101 -14.742 0.891 -2.165 1.00 0.00 C ATOM 1516 CD1 ILE A 101 -17.167 2.931 -2.249 1.00 0.00 C ATOM 0 H ILE A 101 -14.165 3.616 -5.223 1.00 0.00 H new ATOM 0 HA ILE A 101 -12.972 2.981 -2.600 1.00 0.00 H new ATOM 0 HB ILE A 101 -15.448 1.824 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -15.285 3.328 -1.326 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -15.529 4.158 -2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -15.727 0.530 -1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -14.216 0.107 -2.710 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -14.173 1.158 -1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -17.662 3.749 -1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -17.579 2.843 -3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -17.332 2.000 -1.706 1.00 0.00 H new ATOM 1528 N VAL A 102 -11.895 0.841 -3.373 1.00 0.00 N ATOM 1529 CA VAL A 102 -11.093 -0.263 -3.887 1.00 0.00 C ATOM 1530 C VAL A 102 -11.489 -1.582 -3.231 1.00 0.00 C ATOM 1531 O VAL A 102 -11.588 -1.673 -2.008 1.00 0.00 O ATOM 1532 CB VAL A 102 -9.590 -0.020 -3.658 1.00 0.00 C ATOM 1533 CG1 VAL A 102 -8.766 -1.126 -4.300 1.00 0.00 C ATOM 1534 CG2 VAL A 102 -9.183 1.342 -4.201 1.00 0.00 C ATOM 0 H VAL A 102 -11.752 1.041 -2.383 1.00 0.00 H new ATOM 0 HA VAL A 102 -11.285 -0.321 -4.958 1.00 0.00 H new ATOM 0 HB VAL A 102 -9.397 -0.032 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.706 -0.937 -4.128 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -9.040 -2.085 -3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -8.961 -1.149 -5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.118 1.498 -4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.390 1.384 -5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.750 2.121 -3.691 1.00 0.00 H new ATOM 1544 N ARG A 103 -11.712 -2.602 -4.053 1.00 0.00 N ATOM 1545 CA ARG A 103 -12.098 -3.916 -3.553 1.00 0.00 C ATOM 1546 C ARG A 103 -11.452 -5.023 -4.381 1.00 0.00 C ATOM 1547 O ARG A 103 -11.509 -5.008 -5.611 1.00 0.00 O ATOM 1548 CB ARG A 103 -13.620 -4.068 -3.577 1.00 0.00 C ATOM 1549 CG ARG A 103 -14.336 -3.187 -2.567 1.00 0.00 C ATOM 1550 CD ARG A 103 -15.632 -3.824 -2.092 1.00 0.00 C ATOM 1551 NE ARG A 103 -16.615 -2.824 -1.681 1.00 0.00 N ATOM 1552 CZ ARG A 103 -17.336 -2.108 -2.536 1.00 0.00 C ATOM 1553 NH1 ARG A 103 -17.186 -2.279 -3.842 1.00 0.00 N ATOM 1554 NH2 ARG A 103 -18.210 -1.217 -2.085 1.00 0.00 N ATOM 0 H ARG A 103 -11.632 -2.544 -5.068 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.748 -4.003 -2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.985 -3.831 -4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.876 -5.110 -3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -13.683 -3.007 -1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -14.549 -2.217 -3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -16.050 -4.436 -2.892 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -15.423 -4.492 -1.256 1.00 0.00 H new ATOM 0 HE ARG A 103 -16.755 -2.667 -0.683 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -16.515 -2.962 -4.193 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -17.742 -1.727 -4.496 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -18.328 -1.082 -1.081 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -18.763 -0.667 -2.742 1.00 0.00 H new ATOM 1568 N THR A 104 -10.837 -5.984 -3.698 1.00 0.00 N ATOM 1569 CA THR A 104 -10.179 -7.098 -4.369 1.00 0.00 C ATOM 1570 C THR A 104 -11.174 -7.911 -5.189 1.00 0.00 C ATOM 1571 O THR A 104 -12.379 -7.871 -4.940 1.00 0.00 O ATOM 1572 CB THR A 104 -9.481 -8.029 -3.360 1.00 0.00 C ATOM 1573 OG1 THR A 104 -10.407 -8.432 -2.344 1.00 0.00 O ATOM 1574 CG2 THR A 104 -8.288 -7.336 -2.719 1.00 0.00 C ATOM 0 H THR A 104 -10.781 -6.013 -2.680 1.00 0.00 H new ATOM 0 HA THR A 104 -9.430 -6.668 -5.034 1.00 0.00 H new ATOM 0 HB THR A 104 -9.125 -8.908 -3.897 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.956 -9.025 -1.707 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.811 -8.013 -2.010 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.572 -7.056 -3.491 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.625 -6.441 -2.195 1.00 0.00 H new ATOM 1582 N LYS A 105 -10.663 -8.649 -6.169 1.00 0.00 N ATOM 1583 CA LYS A 105 -11.506 -9.474 -7.026 1.00 0.00 C ATOM 1584 C LYS A 105 -11.498 -10.927 -6.561 1.00 0.00 C ATOM 1585 O LYS A 105 -12.470 -11.657 -6.755 1.00 0.00 O ATOM 1586 CB LYS A 105 -11.031 -9.389 -8.478 1.00 0.00 C ATOM 1587 CG LYS A 105 -11.633 -8.227 -9.248 1.00 0.00 C ATOM 1588 CD LYS A 105 -13.054 -8.529 -9.693 1.00 0.00 C ATOM 1589 CE LYS A 105 -14.069 -8.110 -8.640 1.00 0.00 C ATOM 1590 NZ LYS A 105 -15.367 -7.708 -9.250 1.00 0.00 N ATOM 0 H LYS A 105 -9.668 -8.692 -6.389 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.526 -9.096 -6.962 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.945 -9.299 -8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.280 -10.320 -8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.629 -7.334 -8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.016 -8.009 -10.120 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.262 -8.008 -10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.155 -9.596 -9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.234 -8.934 -7.946 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.668 -7.279 -8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.971 -7.271 -8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.194 -7.024 -10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.843 -8.547 -9.638 1.00 0.00 H new ATOM 1604 N VAL A 106 -10.395 -11.340 -5.945 1.00 0.00 N ATOM 1605 CA VAL A 106 -10.261 -12.705 -5.450 1.00 0.00 C ATOM 1606 C VAL A 106 -9.618 -12.728 -4.068 1.00 0.00 C ATOM 1607 O VAL A 106 -9.341 -11.680 -3.483 1.00 0.00 O ATOM 1608 CB VAL A 106 -9.422 -13.570 -6.409 1.00 0.00 C ATOM 1609 CG1 VAL A 106 -9.962 -13.473 -7.827 1.00 0.00 C ATOM 1610 CG2 VAL A 106 -7.959 -13.155 -6.357 1.00 0.00 C ATOM 0 H VAL A 106 -9.581 -10.749 -5.777 1.00 0.00 H new ATOM 0 HA VAL A 106 -11.267 -13.119 -5.386 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.493 -14.610 -6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.356 -14.091 -8.490 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.994 -13.822 -7.848 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.923 -12.436 -8.161 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.380 -13.776 -7.040 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.867 -12.109 -6.651 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.581 -13.282 -5.343 1.00 0.00 H new ATOM 1620 N ASP A 107 -9.384 -13.929 -3.550 1.00 0.00 N ATOM 1621 CA ASP A 107 -8.772 -14.089 -2.237 1.00 0.00 C ATOM 1622 C ASP A 107 -7.281 -14.384 -2.364 1.00 0.00 C ATOM 1623 O ASP A 107 -6.783 -14.660 -3.456 1.00 0.00 O ATOM 1624 CB ASP A 107 -9.462 -15.213 -1.462 1.00 0.00 C ATOM 1625 CG ASP A 107 -9.930 -16.336 -2.367 1.00 0.00 C ATOM 1626 OD1 ASP A 107 -9.072 -16.978 -3.008 1.00 0.00 O ATOM 1627 OD2 ASP A 107 -11.155 -16.573 -2.434 1.00 0.00 O ATOM 0 H ASP A 107 -9.609 -14.806 -4.020 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.894 -13.153 -1.691 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -8.774 -15.613 -0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -10.316 -14.806 -0.921 1.00 0.00 H new ATOM 1632 N ASP A 108 -6.573 -14.323 -1.242 1.00 0.00 N ATOM 1633 CA ASP A 108 -5.138 -14.583 -1.228 1.00 0.00 C ATOM 1634 C ASP A 108 -4.374 -13.453 -1.911 1.00 0.00 C ATOM 1635 O ASP A 108 -3.278 -13.660 -2.435 1.00 0.00 O ATOM 1636 CB ASP A 108 -4.832 -15.913 -1.919 1.00 0.00 C ATOM 1637 CG ASP A 108 -3.581 -16.574 -1.375 1.00 0.00 C ATOM 1638 OD1 ASP A 108 -2.484 -16.005 -1.554 1.00 0.00 O ATOM 1639 OD2 ASP A 108 -3.699 -17.661 -0.771 1.00 0.00 O ATOM 0 H ASP A 108 -6.969 -14.096 -0.330 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.814 -14.640 -0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.679 -16.587 -1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.714 -15.744 -2.989 1.00 0.00 H new ATOM 1644 N CYS A 109 -4.959 -12.261 -1.903 1.00 0.00 N ATOM 1645 CA CYS A 109 -4.334 -11.098 -2.524 1.00 0.00 C ATOM 1646 C CYS A 109 -3.289 -10.483 -1.598 1.00 0.00 C ATOM 1647 O CYS A 109 -3.518 -10.342 -0.397 1.00 0.00 O ATOM 1648 CB CYS A 109 -5.393 -10.055 -2.882 1.00 0.00 C ATOM 1649 SG CYS A 109 -6.435 -10.513 -4.287 1.00 0.00 S ATOM 0 H CYS A 109 -5.865 -12.074 -1.474 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.836 -11.427 -3.436 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -6.028 -9.885 -2.013 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -4.897 -9.110 -3.104 1.00 0.00 H new ATOM 0 HG CYS A 109 -7.580 -10.950 -3.854 1.00 0.00 H new ATOM 1655 N GLN A 110 -2.143 -10.122 -2.165 1.00 0.00 N ATOM 1656 CA GLN A 110 -1.062 -9.525 -1.390 1.00 0.00 C ATOM 1657 C GLN A 110 -0.855 -8.065 -1.780 1.00 0.00 C ATOM 1658 O GLN A 110 -0.987 -7.699 -2.948 1.00 0.00 O ATOM 1659 CB GLN A 110 0.235 -10.309 -1.595 1.00 0.00 C ATOM 1660 CG GLN A 110 0.423 -11.445 -0.602 1.00 0.00 C ATOM 1661 CD GLN A 110 1.383 -12.505 -1.103 1.00 0.00 C ATOM 1662 OE1 GLN A 110 1.916 -12.404 -2.208 1.00 0.00 O ATOM 1663 NE2 GLN A 110 1.609 -13.531 -0.291 1.00 0.00 N ATOM 0 H GLN A 110 -1.939 -10.232 -3.158 1.00 0.00 H new ATOM 0 HA GLN A 110 -1.339 -9.565 -0.337 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.248 -10.716 -2.606 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.080 -9.625 -1.516 1.00 0.00 H new ATOM 0 HG2 GLN A 110 0.793 -11.041 0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -0.543 -11.904 -0.394 1.00 0.00 H new ATOM 0 HE21 GLN A 110 1.146 -13.575 0.617 1.00 0.00 H new ATOM 0 HE22 GLN A 110 2.246 -14.275 -0.575 1.00 0.00 H new ATOM 1672 N PHE A 111 -0.530 -7.235 -0.794 1.00 0.00 N ATOM 1673 CA PHE A 111 -0.305 -5.814 -1.034 1.00 0.00 C ATOM 1674 C PHE A 111 0.836 -5.290 -0.167 1.00 0.00 C ATOM 1675 O PHE A 111 1.252 -5.941 0.792 1.00 0.00 O ATOM 1676 CB PHE A 111 -1.582 -5.020 -0.752 1.00 0.00 C ATOM 1677 CG PHE A 111 -2.767 -5.488 -1.546 1.00 0.00 C ATOM 1678 CD1 PHE A 111 -3.577 -6.507 -1.072 1.00 0.00 C ATOM 1679 CD2 PHE A 111 -3.072 -4.909 -2.768 1.00 0.00 C ATOM 1680 CE1 PHE A 111 -4.669 -6.940 -1.800 1.00 0.00 C ATOM 1681 CE2 PHE A 111 -4.162 -5.338 -3.500 1.00 0.00 C ATOM 1682 CZ PHE A 111 -4.961 -6.355 -3.017 1.00 0.00 C ATOM 0 H PHE A 111 -0.417 -7.522 0.178 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.030 -5.686 -2.081 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.816 -5.090 0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.401 -3.967 -0.970 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.352 -6.969 -0.122 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.450 -4.114 -3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -5.293 -7.734 -1.418 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.389 -4.878 -4.450 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.812 -6.693 -3.589 1.00 0.00 H new ATOM 1692 N VAL A 112 1.338 -4.108 -0.512 1.00 0.00 N ATOM 1693 CA VAL A 112 2.431 -3.495 0.234 1.00 0.00 C ATOM 1694 C VAL A 112 2.095 -2.059 0.619 1.00 0.00 C ATOM 1695 O VAL A 112 1.379 -1.363 -0.102 1.00 0.00 O ATOM 1696 CB VAL A 112 3.740 -3.505 -0.578 1.00 0.00 C ATOM 1697 CG1 VAL A 112 3.633 -2.571 -1.774 1.00 0.00 C ATOM 1698 CG2 VAL A 112 4.917 -3.121 0.306 1.00 0.00 C ATOM 0 H VAL A 112 1.005 -3.556 -1.303 1.00 0.00 H new ATOM 0 HA VAL A 112 2.569 -4.088 1.138 1.00 0.00 H new ATOM 0 HB VAL A 112 3.909 -4.515 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 112 4.567 -2.591 -2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 112 2.815 -2.896 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 112 3.440 -1.556 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 112 5.834 -3.133 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.758 -2.121 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 112 5.004 -3.834 1.126 1.00 0.00 H new ATOM 1708 N CYS A 113 2.618 -1.620 1.759 1.00 0.00 N ATOM 1709 CA CYS A 113 2.373 -0.265 2.241 1.00 0.00 C ATOM 1710 C CYS A 113 3.685 0.441 2.565 1.00 0.00 C ATOM 1711 O CYS A 113 4.656 -0.192 2.982 1.00 0.00 O ATOM 1712 CB CYS A 113 1.477 -0.296 3.480 1.00 0.00 C ATOM 1713 SG CYS A 113 -0.283 -0.492 3.113 1.00 0.00 S ATOM 0 H CYS A 113 3.214 -2.182 2.366 1.00 0.00 H new ATOM 0 HA CYS A 113 1.868 0.290 1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.796 -1.114 4.126 1.00 0.00 H new ATOM 0 HB3 CYS A 113 1.620 0.627 4.042 1.00 0.00 H new ATOM 0 HG CYS A 113 -0.694 0.518 2.404 1.00 0.00 H new ATOM 1719 N ILE A 114 3.708 1.755 2.369 1.00 0.00 N ATOM 1720 CA ILE A 114 4.901 2.547 2.640 1.00 0.00 C ATOM 1721 C ILE A 114 4.534 3.941 3.138 1.00 0.00 C ATOM 1722 O ILE A 114 3.778 4.664 2.490 1.00 0.00 O ATOM 1723 CB ILE A 114 5.786 2.679 1.387 1.00 0.00 C ATOM 1724 CG1 ILE A 114 6.203 1.295 0.883 1.00 0.00 C ATOM 1725 CG2 ILE A 114 7.011 3.529 1.690 1.00 0.00 C ATOM 1726 CD1 ILE A 114 6.735 1.303 -0.533 1.00 0.00 C ATOM 0 H ILE A 114 2.914 2.294 2.023 1.00 0.00 H new ATOM 0 HA ILE A 114 5.459 2.022 3.415 1.00 0.00 H new ATOM 0 HB ILE A 114 5.210 3.173 0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.967 0.890 1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 114 5.346 0.624 0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.626 3.613 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 114 6.695 4.523 2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.591 3.061 2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.011 0.289 -0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.966 1.678 -1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.612 1.948 -0.589 1.00 0.00 H new ATOM 1738 N ALA A 115 5.076 4.312 4.293 1.00 0.00 N ATOM 1739 CA ALA A 115 4.809 5.621 4.877 1.00 0.00 C ATOM 1740 C ALA A 115 5.311 6.739 3.970 1.00 0.00 C ATOM 1741 O ALA A 115 6.461 6.725 3.532 1.00 0.00 O ATOM 1742 CB ALA A 115 5.450 5.727 6.253 1.00 0.00 C ATOM 0 H ALA A 115 5.703 3.725 4.843 1.00 0.00 H new ATOM 0 HA ALA A 115 3.730 5.731 4.982 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.242 6.710 6.676 1.00 0.00 H new ATOM 0 HB2 ALA A 115 5.040 4.956 6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 115 6.528 5.591 6.164 1.00 0.00 H new ATOM 1748 N GLN A 116 4.442 7.705 3.692 1.00 0.00 N ATOM 1749 CA GLN A 116 4.798 8.830 2.835 1.00 0.00 C ATOM 1750 C GLN A 116 6.211 9.318 3.137 1.00 0.00 C ATOM 1751 O GLN A 116 7.101 9.231 2.291 1.00 0.00 O ATOM 1752 CB GLN A 116 3.801 9.975 3.020 1.00 0.00 C ATOM 1753 CG GLN A 116 4.293 11.305 2.473 1.00 0.00 C ATOM 1754 CD GLN A 116 3.270 12.414 2.625 1.00 0.00 C ATOM 1755 OE1 GLN A 116 2.922 12.804 3.740 1.00 0.00 O ATOM 1756 NE2 GLN A 116 2.782 12.927 1.502 1.00 0.00 N ATOM 0 H GLN A 116 3.486 7.732 4.048 1.00 0.00 H new ATOM 0 HA GLN A 116 4.763 8.491 1.800 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.865 9.713 2.527 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.582 10.087 4.082 1.00 0.00 H new ATOM 0 HG2 GLN A 116 5.210 11.589 2.989 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.544 11.189 1.419 1.00 0.00 H new ATOM 0 HE21 GLN A 116 3.099 12.573 0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 116 2.090 13.675 1.542 1.00 0.00 H new ATOM 1765 N GLN A 117 6.409 9.831 4.347 1.00 0.00 N ATOM 1766 CA GLN A 117 7.715 10.333 4.759 1.00 0.00 C ATOM 1767 C GLN A 117 8.836 9.476 4.181 1.00 0.00 C ATOM 1768 O GLN A 117 9.692 9.969 3.446 1.00 0.00 O ATOM 1769 CB GLN A 117 7.815 10.362 6.285 1.00 0.00 C ATOM 1770 CG GLN A 117 7.344 11.670 6.901 1.00 0.00 C ATOM 1771 CD GLN A 117 8.348 12.792 6.727 1.00 0.00 C ATOM 1772 OE1 GLN A 117 9.468 12.722 7.232 1.00 0.00 O ATOM 1773 NE2 GLN A 117 7.950 13.836 6.008 1.00 0.00 N ATOM 0 H GLN A 117 5.683 9.910 5.059 1.00 0.00 H new ATOM 0 HA GLN A 117 7.823 11.347 4.375 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.224 9.543 6.695 1.00 0.00 H new ATOM 0 HB3 GLN A 117 8.850 10.185 6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.397 11.961 6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 117 7.154 11.519 7.964 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.012 13.852 5.608 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.583 14.622 5.856 1.00 0.00 H new ATOM 1782 N ASP A 118 8.824 8.190 4.516 1.00 0.00 N ATOM 1783 CA ASP A 118 9.839 7.264 4.029 1.00 0.00 C ATOM 1784 C ASP A 118 9.771 7.132 2.511 1.00 0.00 C ATOM 1785 O ASP A 118 10.783 6.892 1.852 1.00 0.00 O ATOM 1786 CB ASP A 118 9.662 5.891 4.681 1.00 0.00 C ATOM 1787 CG ASP A 118 9.924 5.922 6.174 1.00 0.00 C ATOM 1788 OD1 ASP A 118 11.108 5.907 6.570 1.00 0.00 O ATOM 1789 OD2 ASP A 118 8.944 5.962 6.947 1.00 0.00 O ATOM 0 H ASP A 118 8.122 7.766 5.123 1.00 0.00 H new ATOM 0 HA ASP A 118 10.817 7.662 4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.648 5.534 4.500 1.00 0.00 H new ATOM 0 HB3 ASP A 118 10.340 5.178 4.211 1.00 0.00 H new ATOM 1794 N TYR A 119 8.571 7.289 1.962 1.00 0.00 N ATOM 1795 CA TYR A 119 8.370 7.184 0.522 1.00 0.00 C ATOM 1796 C TYR A 119 8.952 8.395 -0.200 1.00 0.00 C ATOM 1797 O TYR A 119 9.208 8.352 -1.403 1.00 0.00 O ATOM 1798 CB TYR A 119 6.880 7.053 0.202 1.00 0.00 C ATOM 1799 CG TYR A 119 6.600 6.695 -1.240 1.00 0.00 C ATOM 1800 CD1 TYR A 119 7.358 5.734 -1.898 1.00 0.00 C ATOM 1801 CD2 TYR A 119 5.577 7.316 -1.945 1.00 0.00 C ATOM 1802 CE1 TYR A 119 7.106 5.404 -3.215 1.00 0.00 C ATOM 1803 CE2 TYR A 119 5.316 6.991 -3.262 1.00 0.00 C ATOM 1804 CZ TYR A 119 6.084 6.035 -3.893 1.00 0.00 C ATOM 1805 OH TYR A 119 5.829 5.709 -5.205 1.00 0.00 O ATOM 0 H TYR A 119 7.723 7.489 2.493 1.00 0.00 H new ATOM 0 HA TYR A 119 8.890 6.292 0.173 1.00 0.00 H new ATOM 0 HB2 TYR A 119 6.444 6.291 0.848 1.00 0.00 H new ATOM 0 HB3 TYR A 119 6.382 7.994 0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 119 8.158 5.237 -1.370 1.00 0.00 H new ATOM 0 HD2 TYR A 119 4.975 8.067 -1.455 1.00 0.00 H new ATOM 0 HE1 TYR A 119 7.706 4.656 -3.712 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.515 7.483 -3.794 1.00 0.00 H new ATOM 0 HH TYR A 119 5.679 4.743 -5.279 1.00 0.00 H new ATOM 1815 N TRP A 120 9.160 9.475 0.545 1.00 0.00 N ATOM 1816 CA TRP A 120 9.713 10.700 -0.022 1.00 0.00 C ATOM 1817 C TRP A 120 11.130 10.943 0.485 1.00 0.00 C ATOM 1818 O TRP A 120 11.753 11.952 0.154 1.00 0.00 O ATOM 1819 CB TRP A 120 8.822 11.894 0.324 1.00 0.00 C ATOM 1820 CG TRP A 120 9.484 13.217 0.086 1.00 0.00 C ATOM 1821 CD1 TRP A 120 9.500 13.928 -1.081 1.00 0.00 C ATOM 1822 CD2 TRP A 120 10.227 13.988 1.037 1.00 0.00 C ATOM 1823 NE1 TRP A 120 10.208 15.093 -0.912 1.00 0.00 N ATOM 1824 CE2 TRP A 120 10.664 15.154 0.378 1.00 0.00 C ATOM 1825 CE3 TRP A 120 10.564 13.807 2.381 1.00 0.00 C ATOM 1826 CZ2 TRP A 120 11.421 16.131 1.019 1.00 0.00 C ATOM 1827 CZ3 TRP A 120 11.316 14.778 3.015 1.00 0.00 C ATOM 1828 CH2 TRP A 120 11.736 15.928 2.335 1.00 0.00 C ATOM 0 H TRP A 120 8.954 9.527 1.543 1.00 0.00 H new ATOM 0 HA TRP A 120 9.750 10.585 -1.105 1.00 0.00 H new ATOM 0 HB2 TRP A 120 7.909 11.841 -0.269 1.00 0.00 H new ATOM 0 HB3 TRP A 120 8.527 11.827 1.371 1.00 0.00 H new ATOM 0 HD1 TRP A 120 9.026 13.619 -2.001 1.00 0.00 H new ATOM 0 HE1 TRP A 120 10.368 15.799 -1.631 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.243 12.925 2.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 11.748 17.018 0.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 11.584 14.648 4.053 1.00 0.00 H new ATOM 0 HH2 TRP A 120 12.320 16.669 2.860 1.00 0.00 H new ATOM 1839 N ARG A 121 11.634 10.013 1.289 1.00 0.00 N ATOM 1840 CA ARG A 121 12.978 10.128 1.842 1.00 0.00 C ATOM 1841 C ARG A 121 13.974 9.308 1.026 1.00 0.00 C ATOM 1842 O ARG A 121 15.186 9.486 1.149 1.00 0.00 O ATOM 1843 CB ARG A 121 12.994 9.664 3.300 1.00 0.00 C ATOM 1844 CG ARG A 121 12.624 10.756 4.290 1.00 0.00 C ATOM 1845 CD ARG A 121 12.609 10.232 5.718 1.00 0.00 C ATOM 1846 NE ARG A 121 13.954 10.132 6.278 1.00 0.00 N ATOM 1847 CZ ARG A 121 14.201 9.796 7.539 1.00 0.00 C ATOM 1848 NH1 ARG A 121 13.200 9.530 8.366 1.00 0.00 N ATOM 1849 NH2 ARG A 121 15.452 9.726 7.975 1.00 0.00 N ATOM 0 H ARG A 121 11.132 9.171 1.572 1.00 0.00 H new ATOM 0 HA ARG A 121 13.273 11.176 1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 121 12.301 8.831 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 121 13.988 9.287 3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 121 13.336 11.577 4.210 1.00 0.00 H new ATOM 0 HG3 ARG A 121 11.643 11.159 4.039 1.00 0.00 H new ATOM 0 HD2 ARG A 121 12.005 10.893 6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 121 12.133 9.251 5.739 1.00 0.00 H new ATOM 0 HE ARG A 121 14.747 10.331 5.668 1.00 0.00 H new ATOM 0 HH11 ARG A 121 12.237 9.583 8.035 1.00 0.00 H new ATOM 0 HH12 ARG A 121 13.393 9.272 9.334 1.00 0.00 H new ATOM 0 HH21 ARG A 121 16.225 9.930 7.342 1.00 0.00 H new ATOM 0 HH22 ARG A 121 15.641 9.468 8.944 1.00 0.00 H new ATOM 1863 N ILE A 122 13.454 8.412 0.195 1.00 0.00 N ATOM 1864 CA ILE A 122 14.297 7.567 -0.641 1.00 0.00 C ATOM 1865 C ILE A 122 14.335 8.078 -2.078 1.00 0.00 C ATOM 1866 O ILE A 122 15.363 8.568 -2.546 1.00 0.00 O ATOM 1867 CB ILE A 122 13.806 6.106 -0.641 1.00 0.00 C ATOM 1868 CG1 ILE A 122 13.744 5.567 0.789 1.00 0.00 C ATOM 1869 CG2 ILE A 122 14.717 5.242 -1.500 1.00 0.00 C ATOM 1870 CD1 ILE A 122 12.937 4.294 0.921 1.00 0.00 C ATOM 0 H ILE A 122 12.453 8.252 0.083 1.00 0.00 H new ATOM 0 HA ILE A 122 15.301 7.605 -0.217 1.00 0.00 H new ATOM 0 HB ILE A 122 12.802 6.074 -1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 122 14.758 5.383 1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 122 13.313 6.330 1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 122 14.358 4.213 -1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 122 14.716 5.617 -2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 122 15.731 5.276 -1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 122 12.936 3.970 1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 122 11.912 4.478 0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 122 13.380 3.516 0.299 1.00 0.00 H new ATOM 1882 N LEU A 123 13.209 7.961 -2.772 1.00 0.00 N ATOM 1883 CA LEU A 123 13.112 8.413 -4.155 1.00 0.00 C ATOM 1884 C LEU A 123 13.716 9.804 -4.317 1.00 0.00 C ATOM 1885 O LEU A 123 14.484 10.054 -5.245 1.00 0.00 O ATOM 1886 CB LEU A 123 11.651 8.423 -4.608 1.00 0.00 C ATOM 1887 CG LEU A 123 11.063 7.069 -5.007 1.00 0.00 C ATOM 1888 CD1 LEU A 123 10.454 6.375 -3.799 1.00 0.00 C ATOM 1889 CD2 LEU A 123 10.023 7.242 -6.105 1.00 0.00 C ATOM 0 H LEU A 123 12.350 7.557 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 123 13.674 7.718 -4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 123 11.044 8.837 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 123 11.559 9.101 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 123 11.869 6.444 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.041 5.413 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.224 6.217 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.660 6.996 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.615 6.268 -6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 123 9.219 7.885 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.489 7.697 -6.979 1.00 0.00 H new ATOM 1901 N ASN A 124 13.364 10.706 -3.406 1.00 0.00 N ATOM 1902 CA ASN A 124 13.873 12.072 -3.447 1.00 0.00 C ATOM 1903 C ASN A 124 15.344 12.117 -3.043 1.00 0.00 C ATOM 1904 O ASN A 124 15.971 11.080 -2.824 1.00 0.00 O ATOM 1905 CB ASN A 124 13.051 12.973 -2.522 1.00 0.00 C ATOM 1906 CG ASN A 124 11.602 13.076 -2.955 1.00 0.00 C ATOM 1907 OD1 ASN A 124 11.195 14.061 -3.571 1.00 0.00 O ATOM 1908 ND2 ASN A 124 10.814 12.056 -2.633 1.00 0.00 N ATOM 0 H ASN A 124 12.729 10.516 -2.631 1.00 0.00 H new ATOM 0 HA ASN A 124 13.784 12.436 -4.471 1.00 0.00 H new ATOM 0 HB2 ASN A 124 13.097 12.584 -1.505 1.00 0.00 H new ATOM 0 HB3 ASN A 124 13.493 13.969 -2.502 1.00 0.00 H new ATOM 0 HD21 ASN A 124 9.829 12.069 -2.897 1.00 0.00 H new ATOM 0 HD22 ASN A 124 11.194 11.260 -2.122 1.00 0.00 H new ATOM 1915 N HIS A 125 15.889 13.326 -2.945 1.00 0.00 N ATOM 1916 CA HIS A 125 17.286 13.507 -2.567 1.00 0.00 C ATOM 1917 C HIS A 125 17.401 14.362 -1.309 1.00 0.00 C ATOM 1918 O HIS A 125 18.102 15.374 -1.296 1.00 0.00 O ATOM 1919 CB HIS A 125 18.067 14.153 -3.711 1.00 0.00 C ATOM 1920 CG HIS A 125 18.330 13.225 -4.856 1.00 0.00 C ATOM 1921 ND1 HIS A 125 19.575 13.072 -5.430 1.00 0.00 N ATOM 1922 CD2 HIS A 125 17.501 12.396 -5.533 1.00 0.00 C ATOM 1923 CE1 HIS A 125 19.499 12.192 -6.412 1.00 0.00 C ATOM 1924 NE2 HIS A 125 18.252 11.765 -6.495 1.00 0.00 N ATOM 0 H HIS A 125 15.384 14.194 -3.122 1.00 0.00 H new ATOM 0 HA HIS A 125 17.711 12.525 -2.358 1.00 0.00 H new ATOM 0 HB2 HIS A 125 17.513 15.018 -4.075 1.00 0.00 H new ATOM 0 HB3 HIS A 125 19.018 14.522 -3.328 1.00 0.00 H new ATOM 0 HD2 HIS A 125 16.446 12.257 -5.351 1.00 0.00 H new ATOM 0 HE1 HIS A 125 20.318 11.875 -7.041 1.00 0.00 H new ATOM 0 HE2 HIS A 125 17.903 11.079 -7.164 1.00 0.00 H new