USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 961 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 100 TYR OH : rot 180:sc= -0.12 USER MOD Set 1.2: A 104 MET CE :methyl 165:sc= -1.56 (180deg=-2.25!) USER MOD Set 2.1: A 69 ASN : amide:sc= -0.391 K(o=-0.32,f=-4.8!) USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.0726 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-3.8!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HE2:sc= -3.72 X(o=-3.7,f=-3.5!) USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= 1.23 (180deg=0.191) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 166:sc=-0.00603 (180deg=-0.102) USER MOD Single : A 45 SER OG : rot 13:sc= 0.0485 USER MOD Single : A 46 GLN : amide:sc= -1.38 K(o=-1.4,f=-3.9!) USER MOD Single : A 55 GLN : amide:sc= -0.0944 X(o=-0.094,f=0) USER MOD Single : A 56 GLN : amide:sc= -1.61 K(o=-1.6,f=-4.1!) USER MOD Single : A 58 ASN : amide:sc= -2.07! X(o=-2.1!,f=-2) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 39:sc= -3.73 USER MOD Single : A 73 GLN : amide:sc= -0.597 X(o=-0.6,f=-0.33) USER MOD Single : A 74 LYS NZ :NH3+ -165:sc=-0.00858 (180deg=-0.136) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.168 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 7:sc= 0.161 USER MOD Single : A 87 MET CE :methyl -131:sc= -4.26 (180deg=-8.26!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot -140:sc= -1.09 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 98 GLN : amide:sc= -0.0772 K(o=-0.077,f=-0.71) USER MOD Single : A 99 GLN : amide:sc= -0.0124 K(o=-0.012,f=-2.2!) USER MOD Single : A 107 CYS SG : rot 66:sc= 0.0719 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -173:sc= -0.0011 (180deg=-0.0759) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 165:sc= -3.49! (180deg=-4.39) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 92:sc= 0.203 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.0554 K(o=-0.055,f=-0.57) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 16.270 -3.369 8.942 1.00 0.00 N ATOM 67 CA ILE A 8 14.911 -2.854 9.048 1.00 0.00 C ATOM 68 C ILE A 8 14.002 -3.480 7.997 1.00 0.00 C ATOM 69 O ILE A 8 14.373 -3.638 6.834 1.00 0.00 O ATOM 70 CB ILE A 8 14.877 -1.322 8.894 1.00 0.00 C ATOM 71 CG1 ILE A 8 15.685 -0.656 10.010 1.00 0.00 C ATOM 72 CG2 ILE A 8 13.440 -0.821 8.902 1.00 0.00 C ATOM 73 CD1 ILE A 8 15.744 0.851 9.897 1.00 0.00 C ATOM 0 HA ILE A 8 14.549 -3.120 10.041 1.00 0.00 H new ATOM 0 HB ILE A 8 15.329 -1.058 7.938 1.00 0.00 H new ATOM 0 HG12 ILE A 8 15.249 -0.923 10.972 1.00 0.00 H new ATOM 0 HG13 ILE A 8 16.700 -1.053 9.999 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.432 0.263 8.792 1.00 0.00 H new ATOM 0 HG22 ILE A 8 12.892 -1.273 8.075 1.00 0.00 H new ATOM 0 HG23 ILE A 8 12.965 -1.094 9.844 1.00 0.00 H new ATOM 0 HD11 ILE A 8 16.333 1.255 10.721 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.208 1.127 8.950 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.734 1.259 9.939 1.00 0.00 H new ATOM 85 N PRO A 9 12.780 -3.844 8.413 1.00 0.00 N ATOM 86 CA PRO A 9 11.790 -4.457 7.521 1.00 0.00 C ATOM 87 C PRO A 9 11.253 -3.472 6.488 1.00 0.00 C ATOM 88 O PRO A 9 10.332 -2.705 6.769 1.00 0.00 O ATOM 89 CB PRO A 9 10.675 -4.892 8.475 1.00 0.00 C ATOM 90 CG PRO A 9 10.802 -3.981 9.647 1.00 0.00 C ATOM 91 CD PRO A 9 12.269 -3.685 9.785 1.00 0.00 C ATOM 0 HA PRO A 9 12.216 -5.275 6.940 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.695 -4.800 8.007 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.791 -5.935 8.770 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.232 -3.065 9.493 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.412 -4.451 10.550 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.442 -2.678 10.164 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.754 -4.373 10.477 1.00 0.00 H new ATOM 99 N GLU A 10 11.833 -3.501 5.292 1.00 0.00 N ATOM 100 CA GLU A 10 11.411 -2.610 4.218 1.00 0.00 C ATOM 101 C GLU A 10 10.933 -3.406 3.007 1.00 0.00 C ATOM 102 O GLU A 10 11.546 -4.404 2.625 1.00 0.00 O ATOM 103 CB GLU A 10 12.560 -1.684 3.812 1.00 0.00 C ATOM 104 CG GLU A 10 12.988 -0.727 4.912 1.00 0.00 C ATOM 105 CD GLU A 10 13.968 0.322 4.424 1.00 0.00 C ATOM 106 OE1 GLU A 10 14.686 0.049 3.440 1.00 0.00 O ATOM 107 OE2 GLU A 10 14.017 1.415 5.027 1.00 0.00 O ATOM 0 H GLU A 10 12.595 -4.131 5.043 1.00 0.00 H new ATOM 0 HA GLU A 10 10.581 -2.007 4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.416 -2.290 3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.259 -1.108 2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.107 -0.233 5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.443 -1.293 5.725 1.00 0.00 H new ATOM 114 N LEU A 11 9.835 -2.958 2.408 1.00 0.00 N ATOM 115 CA LEU A 11 9.274 -3.629 1.240 1.00 0.00 C ATOM 116 C LEU A 11 9.560 -2.837 -0.032 1.00 0.00 C ATOM 117 O LEU A 11 9.493 -1.608 -0.040 1.00 0.00 O ATOM 118 CB LEU A 11 7.765 -3.814 1.410 1.00 0.00 C ATOM 119 CG LEU A 11 7.318 -5.126 2.055 1.00 0.00 C ATOM 120 CD1 LEU A 11 6.025 -4.927 2.831 1.00 0.00 C ATOM 121 CD2 LEU A 11 7.146 -6.208 0.998 1.00 0.00 C ATOM 0 H LEU A 11 9.316 -2.134 2.711 1.00 0.00 H new ATOM 0 HA LEU A 11 9.747 -4.607 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.383 -2.989 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.297 -3.737 0.429 1.00 0.00 H new ATOM 0 HG LEU A 11 8.091 -5.447 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.723 -5.872 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.181 -4.184 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.244 -4.582 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.828 -7.135 1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.393 -5.894 0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.094 -6.371 0.486 1.00 0.00 H new ATOM 133 N LYS A 12 9.878 -3.550 -1.107 1.00 0.00 N ATOM 134 CA LYS A 12 10.171 -2.916 -2.387 1.00 0.00 C ATOM 135 C LYS A 12 9.361 -3.556 -3.510 1.00 0.00 C ATOM 136 O LYS A 12 9.650 -4.674 -3.938 1.00 0.00 O ATOM 137 CB LYS A 12 11.666 -3.019 -2.700 1.00 0.00 C ATOM 138 CG LYS A 12 12.559 -2.559 -1.561 1.00 0.00 C ATOM 139 CD LYS A 12 12.823 -1.064 -1.629 1.00 0.00 C ATOM 140 CE LYS A 12 14.050 -0.752 -2.471 1.00 0.00 C ATOM 141 NZ LYS A 12 15.310 -0.897 -1.690 1.00 0.00 N ATOM 0 H LYS A 12 9.939 -4.568 -1.117 1.00 0.00 H new ATOM 0 HA LYS A 12 9.892 -1.865 -2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.907 -4.054 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.885 -2.423 -3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.090 -2.804 -0.608 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.505 -3.099 -1.598 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.954 -0.559 -2.050 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.963 -0.672 -0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.078 -1.419 -3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.977 0.265 -2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.123 -0.676 -2.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.295 -0.243 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.393 -1.874 -1.343 1.00 0.00 H new ATOM 155 N ASP A 13 8.347 -2.840 -3.983 1.00 0.00 N ATOM 156 CA ASP A 13 7.496 -3.337 -5.058 1.00 0.00 C ATOM 157 C ASP A 13 6.496 -2.271 -5.497 1.00 0.00 C ATOM 158 O ASP A 13 5.939 -1.549 -4.669 1.00 0.00 O ATOM 159 CB ASP A 13 6.753 -4.596 -4.609 1.00 0.00 C ATOM 160 CG ASP A 13 7.553 -5.860 -4.857 1.00 0.00 C ATOM 161 OD1 ASP A 13 7.835 -6.161 -6.035 1.00 0.00 O ATOM 162 OD2 ASP A 13 7.896 -6.548 -3.873 1.00 0.00 O ATOM 0 H ASP A 13 8.094 -1.914 -3.639 1.00 0.00 H new ATOM 0 HA ASP A 13 8.133 -3.584 -5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.522 -4.518 -3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.802 -4.661 -5.138 1.00 0.00 H new ATOM 167 N HIS A 14 6.275 -2.178 -6.804 1.00 0.00 N ATOM 168 CA HIS A 14 5.343 -1.199 -7.353 1.00 0.00 C ATOM 169 C HIS A 14 3.972 -1.827 -7.587 1.00 0.00 C ATOM 170 O HIS A 14 3.809 -2.684 -8.456 1.00 0.00 O ATOM 171 CB HIS A 14 5.884 -0.627 -8.664 1.00 0.00 C ATOM 172 CG HIS A 14 4.847 0.075 -9.485 1.00 0.00 C ATOM 173 ND1 HIS A 14 4.353 -0.434 -10.668 1.00 0.00 N ATOM 174 CD2 HIS A 14 4.208 1.251 -9.287 1.00 0.00 C ATOM 175 CE1 HIS A 14 3.457 0.401 -11.163 1.00 0.00 C ATOM 176 NE2 HIS A 14 3.350 1.431 -10.344 1.00 0.00 N ATOM 0 H HIS A 14 6.728 -2.768 -7.502 1.00 0.00 H new ATOM 0 HA HIS A 14 5.236 -0.391 -6.629 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.692 0.070 -8.441 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.315 -1.436 -9.253 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.347 1.923 -8.453 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.906 0.264 -12.082 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.731 2.231 -10.475 1.00 0.00 H new ATOM 185 N LEU A 15 2.988 -1.395 -6.805 1.00 0.00 N ATOM 186 CA LEU A 15 1.630 -1.915 -6.926 1.00 0.00 C ATOM 187 C LEU A 15 0.834 -1.123 -7.958 1.00 0.00 C ATOM 188 O LEU A 15 1.372 -0.244 -8.631 1.00 0.00 O ATOM 189 CB LEU A 15 0.922 -1.866 -5.571 1.00 0.00 C ATOM 190 CG LEU A 15 1.648 -2.546 -4.409 1.00 0.00 C ATOM 191 CD1 LEU A 15 1.310 -1.860 -3.095 1.00 0.00 C ATOM 192 CD2 LEU A 15 1.290 -4.024 -4.349 1.00 0.00 C ATOM 0 H LEU A 15 3.105 -0.686 -6.081 1.00 0.00 H new ATOM 0 HA LEU A 15 1.692 -2.951 -7.259 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.756 -0.821 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.060 -2.327 -5.680 1.00 0.00 H new ATOM 0 HG LEU A 15 2.722 -2.459 -4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.835 -2.357 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.617 -0.815 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.235 -1.915 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.815 -4.492 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.215 -4.132 -4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.583 -4.507 -5.281 1.00 0.00 H new ATOM 204 N ARG A 16 -0.452 -1.439 -8.075 1.00 0.00 N ATOM 205 CA ARG A 16 -1.323 -0.756 -9.025 1.00 0.00 C ATOM 206 C ARG A 16 -1.821 0.567 -8.451 1.00 0.00 C ATOM 207 O ARG A 16 -2.545 0.589 -7.455 1.00 0.00 O ATOM 208 CB ARG A 16 -2.512 -1.647 -9.389 1.00 0.00 C ATOM 209 CG ARG A 16 -3.039 -1.413 -10.795 1.00 0.00 C ATOM 210 CD ARG A 16 -4.399 -2.065 -10.996 1.00 0.00 C ATOM 211 NE ARG A 16 -4.856 -1.962 -12.379 1.00 0.00 N ATOM 212 CZ ARG A 16 -5.897 -2.632 -12.861 1.00 0.00 C ATOM 213 NH1 ARG A 16 -6.585 -3.449 -12.075 1.00 0.00 N ATOM 214 NH2 ARG A 16 -6.252 -2.486 -14.131 1.00 0.00 N ATOM 0 H ARG A 16 -0.914 -2.163 -7.524 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.745 -0.547 -9.925 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.217 -2.691 -9.290 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.317 -1.474 -8.675 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.116 -0.342 -10.982 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.332 -1.813 -11.521 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.343 -3.115 -10.710 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.128 -1.593 -10.337 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.348 -1.342 -13.010 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.315 -3.564 -11.098 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.384 -3.962 -12.447 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.725 -1.859 -14.739 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.052 -3.001 -14.500 1.00 0.00 H new ATOM 228 N ILE A 17 -1.427 1.666 -9.085 1.00 0.00 N ATOM 229 CA ILE A 17 -1.833 2.992 -8.638 1.00 0.00 C ATOM 230 C ILE A 17 -2.604 3.728 -9.729 1.00 0.00 C ATOM 231 O ILE A 17 -2.281 3.621 -10.912 1.00 0.00 O ATOM 232 CB ILE A 17 -0.619 3.843 -8.220 1.00 0.00 C ATOM 233 CG1 ILE A 17 0.072 3.221 -7.005 1.00 0.00 C ATOM 234 CG2 ILE A 17 -1.051 5.270 -7.918 1.00 0.00 C ATOM 235 CD1 ILE A 17 1.399 3.866 -6.670 1.00 0.00 C ATOM 0 H ILE A 17 -0.827 1.664 -9.910 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.480 2.848 -7.773 1.00 0.00 H new ATOM 0 HB ILE A 17 0.092 3.867 -9.046 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.589 3.299 -6.142 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.230 2.159 -7.191 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.182 5.859 -7.624 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.503 5.709 -8.807 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.778 5.266 -7.106 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.832 3.375 -5.799 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.077 3.765 -7.518 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.245 4.923 -6.452 1.00 0.00 H new ATOM 247 N PHE A 18 -3.624 4.476 -9.323 1.00 0.00 N ATOM 248 CA PHE A 18 -4.442 5.231 -10.265 1.00 0.00 C ATOM 249 C PHE A 18 -5.188 6.359 -9.557 1.00 0.00 C ATOM 250 O PHE A 18 -5.765 6.160 -8.488 1.00 0.00 O ATOM 251 CB PHE A 18 -5.439 4.305 -10.965 1.00 0.00 C ATOM 252 CG PHE A 18 -6.587 5.033 -11.602 1.00 0.00 C ATOM 253 CD1 PHE A 18 -7.631 5.518 -10.830 1.00 0.00 C ATOM 254 CD2 PHE A 18 -6.624 5.232 -12.973 1.00 0.00 C ATOM 255 CE1 PHE A 18 -8.690 6.188 -11.415 1.00 0.00 C ATOM 256 CE2 PHE A 18 -7.680 5.901 -13.563 1.00 0.00 C ATOM 257 CZ PHE A 18 -8.714 6.380 -12.782 1.00 0.00 C ATOM 0 H PHE A 18 -3.904 4.576 -8.347 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.780 5.670 -11.011 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.915 3.731 -11.729 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.829 3.590 -10.240 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.617 5.371 -9.760 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.818 4.860 -13.588 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.498 6.561 -10.803 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.697 6.049 -14.633 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.540 6.904 -13.240 1.00 0.00 H new ATOM 267 N ARG A 19 -5.170 7.542 -10.161 1.00 0.00 N ATOM 268 CA ARG A 19 -5.843 8.702 -9.589 1.00 0.00 C ATOM 269 C ARG A 19 -6.770 9.352 -10.611 1.00 0.00 C ATOM 270 O ARG A 19 -6.331 9.915 -11.614 1.00 0.00 O ATOM 271 CB ARG A 19 -4.815 9.722 -9.095 1.00 0.00 C ATOM 272 CG ARG A 19 -4.179 9.351 -7.765 1.00 0.00 C ATOM 273 CD ARG A 19 -2.812 9.997 -7.602 1.00 0.00 C ATOM 274 NE ARG A 19 -2.891 11.456 -7.614 1.00 0.00 N ATOM 275 CZ ARG A 19 -3.270 12.180 -6.567 1.00 0.00 C ATOM 276 NH1 ARG A 19 -3.602 11.584 -5.430 1.00 0.00 N ATOM 277 NH2 ARG A 19 -3.317 13.503 -6.656 1.00 0.00 N ATOM 0 H ARG A 19 -4.697 7.723 -11.046 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.443 8.363 -8.745 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.032 9.828 -9.845 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.298 10.694 -8.998 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.830 9.664 -6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.081 8.268 -7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.364 9.666 -6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.155 9.663 -8.405 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.641 11.945 -8.474 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.567 10.567 -5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.893 12.142 -4.627 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.062 13.965 -7.529 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.608 14.058 -5.851 1.00 0.00 H new ATOM 291 N PRO A 20 -8.084 9.274 -10.353 1.00 0.00 N ATOM 292 CA PRO A 20 -9.101 9.849 -11.239 1.00 0.00 C ATOM 293 C PRO A 20 -9.089 11.374 -11.221 1.00 0.00 C ATOM 294 O PRO A 20 -9.422 12.018 -12.216 1.00 0.00 O ATOM 295 CB PRO A 20 -10.415 9.318 -10.662 1.00 0.00 C ATOM 296 CG PRO A 20 -10.118 9.049 -9.227 1.00 0.00 C ATOM 297 CD PRO A 20 -8.678 8.618 -9.176 1.00 0.00 C ATOM 0 HA PRO A 20 -8.936 9.575 -12.281 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.218 10.047 -10.770 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.736 8.412 -11.176 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.280 9.940 -8.621 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.772 8.272 -8.832 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.196 8.937 -8.252 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.581 7.534 -9.229 1.00 0.00 H new ATOM 432 N TYR A 28 -2.714 4.592 -14.550 1.00 0.00 N ATOM 433 CA TYR A 28 -1.742 3.572 -14.176 1.00 0.00 C ATOM 434 C TYR A 28 -0.479 3.686 -15.025 1.00 0.00 C ATOM 435 O TYR A 28 -0.540 3.668 -16.254 1.00 0.00 O ATOM 436 CB TYR A 28 -2.350 2.177 -14.332 1.00 0.00 C ATOM 437 CG TYR A 28 -3.587 1.958 -13.490 1.00 0.00 C ATOM 438 CD1 TYR A 28 -3.486 1.655 -12.138 1.00 0.00 C ATOM 439 CD2 TYR A 28 -4.856 2.054 -14.047 1.00 0.00 C ATOM 440 CE1 TYR A 28 -4.613 1.453 -11.365 1.00 0.00 C ATOM 441 CE2 TYR A 28 -5.989 1.855 -13.282 1.00 0.00 C ATOM 442 CZ TYR A 28 -5.862 1.555 -11.942 1.00 0.00 C ATOM 443 OH TYR A 28 -6.988 1.356 -11.176 1.00 0.00 O ATOM 0 HA TYR A 28 -1.472 3.729 -13.132 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.601 2.014 -15.380 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.601 1.431 -14.064 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.510 1.576 -11.683 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.959 2.288 -15.096 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.517 1.217 -10.316 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.968 1.934 -13.731 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.786 1.465 -11.734 1.00 0.00 H new ATOM 453 N ARG A 29 0.665 3.803 -14.358 1.00 0.00 N ATOM 454 CA ARG A 29 1.943 3.921 -15.049 1.00 0.00 C ATOM 455 C ARG A 29 3.048 3.210 -14.273 1.00 0.00 C ATOM 456 O ARG A 29 2.856 2.814 -13.124 1.00 0.00 O ATOM 457 CB ARG A 29 2.308 5.394 -15.244 1.00 0.00 C ATOM 458 CG ARG A 29 3.610 5.604 -15.999 1.00 0.00 C ATOM 459 CD ARG A 29 3.707 7.013 -16.562 1.00 0.00 C ATOM 460 NE ARG A 29 4.715 7.114 -17.614 1.00 0.00 N ATOM 461 CZ ARG A 29 5.113 8.266 -18.142 1.00 0.00 C ATOM 462 NH1 ARG A 29 4.591 9.409 -17.719 1.00 0.00 N ATOM 463 NH2 ARG A 29 6.035 8.277 -19.096 1.00 0.00 N ATOM 0 H ARG A 29 0.733 3.819 -13.340 1.00 0.00 H new ATOM 0 HA ARG A 29 1.845 3.446 -16.025 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.501 5.891 -15.783 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.382 5.873 -14.268 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.452 5.419 -15.332 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.681 4.881 -16.811 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.737 7.312 -16.959 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.950 7.708 -15.759 1.00 0.00 H new ATOM 0 HE ARG A 29 5.136 6.253 -17.962 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.882 9.405 -16.986 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.899 10.292 -18.126 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.439 7.400 -19.425 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.340 9.162 -19.501 1.00 0.00 H new ATOM 477 N GLN A 30 4.204 3.053 -14.910 1.00 0.00 N ATOM 478 CA GLN A 30 5.339 2.389 -14.279 1.00 0.00 C ATOM 479 C GLN A 30 5.999 3.300 -13.249 1.00 0.00 C ATOM 480 O GLN A 30 6.814 4.156 -13.595 1.00 0.00 O ATOM 481 CB GLN A 30 6.362 1.968 -15.335 1.00 0.00 C ATOM 482 CG GLN A 30 7.645 1.401 -14.748 1.00 0.00 C ATOM 483 CD GLN A 30 8.672 1.061 -15.810 1.00 0.00 C ATOM 484 OE1 GLN A 30 8.394 0.299 -16.737 1.00 0.00 O ATOM 485 NE2 GLN A 30 9.867 1.625 -15.680 1.00 0.00 N ATOM 0 H GLN A 30 4.379 3.376 -15.861 1.00 0.00 H new ATOM 0 HA GLN A 30 4.969 1.501 -13.767 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.911 1.222 -15.989 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.606 2.830 -15.956 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.072 2.124 -14.053 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.412 0.505 -14.173 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.053 2.250 -14.896 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.599 1.433 -16.364 1.00 0.00 H new ATOM 494 N HIS A 31 5.642 3.111 -11.983 1.00 0.00 N ATOM 495 CA HIS A 31 6.200 3.916 -10.903 1.00 0.00 C ATOM 496 C HIS A 31 6.888 3.032 -9.866 1.00 0.00 C ATOM 497 O HIS A 31 6.750 1.809 -9.891 1.00 0.00 O ATOM 498 CB HIS A 31 5.102 4.744 -10.235 1.00 0.00 C ATOM 499 CG HIS A 31 4.546 5.822 -11.115 1.00 0.00 C ATOM 500 ND1 HIS A 31 4.232 7.082 -10.653 1.00 0.00 N ATOM 501 CD2 HIS A 31 4.252 5.822 -12.436 1.00 0.00 C ATOM 502 CE1 HIS A 31 3.766 7.811 -11.651 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.768 7.070 -12.745 1.00 0.00 N ATOM 0 H HIS A 31 4.969 2.407 -11.680 1.00 0.00 H new ATOM 0 HA HIS A 31 6.942 4.589 -11.332 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.292 4.081 -9.931 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.501 5.197 -9.327 1.00 0.00 H new ATOM 0 HD1 HIS A 31 4.342 7.402 -9.691 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.375 4.995 -13.120 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.439 8.838 -11.584 1.00 0.00 H new ATOM 512 N TRP A 32 7.627 3.659 -8.959 1.00 0.00 N ATOM 513 CA TRP A 32 8.337 2.929 -7.914 1.00 0.00 C ATOM 514 C TRP A 32 7.789 3.281 -6.536 1.00 0.00 C ATOM 515 O TRP A 32 7.778 4.447 -6.141 1.00 0.00 O ATOM 516 CB TRP A 32 9.834 3.237 -7.976 1.00 0.00 C ATOM 517 CG TRP A 32 10.636 2.493 -6.951 1.00 0.00 C ATOM 518 CD1 TRP A 32 11.462 3.033 -6.007 1.00 0.00 C ATOM 519 CD2 TRP A 32 10.688 1.074 -6.768 1.00 0.00 C ATOM 520 NE1 TRP A 32 12.025 2.035 -5.249 1.00 0.00 N ATOM 521 CE2 TRP A 32 11.566 0.824 -5.695 1.00 0.00 C ATOM 522 CE3 TRP A 32 10.078 -0.010 -7.405 1.00 0.00 C ATOM 523 CZ2 TRP A 32 11.847 -0.464 -5.248 1.00 0.00 C ATOM 524 CZ3 TRP A 32 10.358 -1.288 -6.961 1.00 0.00 C ATOM 525 CH2 TRP A 32 11.236 -1.506 -5.890 1.00 0.00 C ATOM 0 H TRP A 32 7.751 4.671 -8.925 1.00 0.00 H new ATOM 0 HA TRP A 32 8.185 1.863 -8.082 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.208 2.989 -8.969 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.984 4.308 -7.837 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.646 4.089 -5.876 1.00 0.00 H new ATOM 0 HE1 TRP A 32 12.679 2.173 -4.479 1.00 0.00 H new ATOM 0 HE3 TRP A 32 9.399 0.149 -8.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 12.523 -0.635 -4.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 9.893 -2.133 -7.447 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.434 -2.517 -5.565 1.00 0.00 H new ATOM 536 N VAL A 33 7.335 2.266 -5.807 1.00 0.00 N ATOM 537 CA VAL A 33 6.787 2.469 -4.471 1.00 0.00 C ATOM 538 C VAL A 33 7.661 1.807 -3.412 1.00 0.00 C ATOM 539 O VAL A 33 8.232 0.740 -3.641 1.00 0.00 O ATOM 540 CB VAL A 33 5.355 1.912 -4.361 1.00 0.00 C ATOM 541 CG1 VAL A 33 4.808 2.118 -2.957 1.00 0.00 C ATOM 542 CG2 VAL A 33 4.450 2.563 -5.396 1.00 0.00 C ATOM 0 H VAL A 33 7.336 1.295 -6.119 1.00 0.00 H new ATOM 0 HA VAL A 33 6.764 3.545 -4.298 1.00 0.00 H new ATOM 0 HB VAL A 33 5.384 0.841 -4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.796 1.718 -2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.444 1.601 -2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.791 3.183 -2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.442 2.158 -5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.425 3.640 -5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.834 2.358 -6.395 1.00 0.00 H new ATOM 552 N VAL A 34 7.761 2.446 -2.251 1.00 0.00 N ATOM 553 CA VAL A 34 8.564 1.918 -1.154 1.00 0.00 C ATOM 554 C VAL A 34 7.837 2.061 0.178 1.00 0.00 C ATOM 555 O VAL A 34 7.477 3.166 0.585 1.00 0.00 O ATOM 556 CB VAL A 34 9.926 2.631 -1.063 1.00 0.00 C ATOM 557 CG1 VAL A 34 10.677 2.190 0.184 1.00 0.00 C ATOM 558 CG2 VAL A 34 10.751 2.367 -2.313 1.00 0.00 C ATOM 0 H VAL A 34 7.296 3.330 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 34 8.729 0.861 -1.362 1.00 0.00 H new ATOM 0 HB VAL A 34 9.750 3.704 -0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.637 2.704 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.090 2.436 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 34 10.843 1.113 0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.710 2.879 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.919 1.295 -2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.216 2.738 -3.187 1.00 0.00 H new ATOM 568 N PHE A 35 7.625 0.937 0.854 1.00 0.00 N ATOM 569 CA PHE A 35 6.940 0.936 2.141 1.00 0.00 C ATOM 570 C PHE A 35 7.943 0.965 3.291 1.00 0.00 C ATOM 571 O PHE A 35 8.880 0.167 3.334 1.00 0.00 O ATOM 572 CB PHE A 35 6.042 -0.296 2.264 1.00 0.00 C ATOM 573 CG PHE A 35 5.496 -0.504 3.648 1.00 0.00 C ATOM 574 CD1 PHE A 35 4.820 0.514 4.300 1.00 0.00 C ATOM 575 CD2 PHE A 35 5.659 -1.718 4.296 1.00 0.00 C ATOM 576 CE1 PHE A 35 4.316 0.326 5.574 1.00 0.00 C ATOM 577 CE2 PHE A 35 5.156 -1.912 5.569 1.00 0.00 C ATOM 578 CZ PHE A 35 4.485 -0.888 6.209 1.00 0.00 C ATOM 0 H PHE A 35 7.918 0.015 0.532 1.00 0.00 H new ATOM 0 HA PHE A 35 6.324 1.833 2.197 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.211 -0.201 1.565 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.608 -1.179 1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.685 1.466 3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.185 -2.521 3.801 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.791 1.128 6.072 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.288 -2.863 6.063 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.093 -1.037 7.204 1.00 0.00 H new ATOM 588 N LYS A 36 7.741 1.891 4.221 1.00 0.00 N ATOM 589 CA LYS A 36 8.625 2.026 5.373 1.00 0.00 C ATOM 590 C LYS A 36 7.880 1.726 6.669 1.00 0.00 C ATOM 591 O LYS A 36 6.655 1.827 6.729 1.00 0.00 O ATOM 592 CB LYS A 36 9.215 3.438 5.426 1.00 0.00 C ATOM 593 CG LYS A 36 10.172 3.653 6.586 1.00 0.00 C ATOM 594 CD LYS A 36 11.459 2.866 6.400 1.00 0.00 C ATOM 595 CE LYS A 36 12.382 3.017 7.599 1.00 0.00 C ATOM 596 NZ LYS A 36 13.805 2.768 7.238 1.00 0.00 N ATOM 0 H LYS A 36 6.972 2.560 4.200 1.00 0.00 H new ATOM 0 HA LYS A 36 9.434 1.304 5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.739 3.639 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.402 4.160 5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.403 4.714 6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.691 3.351 7.516 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.224 1.812 6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.970 3.209 5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.282 4.022 8.010 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.078 2.321 8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.344 2.528 8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.859 1.979 6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.208 3.623 6.804 1.00 0.00 H new ATOM 610 N GLU A 37 8.628 1.358 7.705 1.00 0.00 N ATOM 611 CA GLU A 37 8.036 1.044 9.000 1.00 0.00 C ATOM 612 C GLU A 37 6.801 1.902 9.257 1.00 0.00 C ATOM 613 O GLU A 37 5.672 1.408 9.237 1.00 0.00 O ATOM 614 CB GLU A 37 9.059 1.257 10.118 1.00 0.00 C ATOM 615 CG GLU A 37 10.197 0.250 10.103 1.00 0.00 C ATOM 616 CD GLU A 37 10.848 0.084 11.462 1.00 0.00 C ATOM 617 OE1 GLU A 37 10.386 -0.775 12.241 1.00 0.00 O ATOM 618 OE2 GLU A 37 11.820 0.815 11.746 1.00 0.00 O ATOM 0 H GLU A 37 9.644 1.270 7.673 1.00 0.00 H new ATOM 0 HA GLU A 37 7.733 -0.003 8.988 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.473 2.262 10.033 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.550 1.202 11.080 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.819 -0.715 9.765 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.949 0.568 9.381 1.00 0.00 H new ATOM 625 N THR A 38 7.022 3.190 9.498 1.00 0.00 N ATOM 626 CA THR A 38 5.928 4.117 9.760 1.00 0.00 C ATOM 627 C THR A 38 5.873 5.215 8.704 1.00 0.00 C ATOM 628 O THR A 38 5.274 6.270 8.919 1.00 0.00 O ATOM 629 CB THR A 38 6.062 4.765 11.151 1.00 0.00 C ATOM 630 OG1 THR A 38 7.443 4.865 11.514 1.00 0.00 O ATOM 631 CG2 THR A 38 5.314 3.956 12.199 1.00 0.00 C ATOM 0 H THR A 38 7.949 3.615 9.517 1.00 0.00 H new ATOM 0 HA THR A 38 5.006 3.536 9.725 1.00 0.00 H new ATOM 0 HB THR A 38 5.626 5.763 11.106 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.520 5.280 12.399 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.423 4.433 13.173 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.258 3.907 11.935 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.724 2.947 12.241 1.00 0.00 H new ATOM 639 N THR A 39 6.500 4.961 7.559 1.00 0.00 N ATOM 640 CA THR A 39 6.522 5.928 6.469 1.00 0.00 C ATOM 641 C THR A 39 6.287 5.248 5.125 1.00 0.00 C ATOM 642 O THR A 39 6.265 4.019 5.035 1.00 0.00 O ATOM 643 CB THR A 39 7.862 6.687 6.419 1.00 0.00 C ATOM 644 OG1 THR A 39 8.390 6.835 7.742 1.00 0.00 O ATOM 645 CG2 THR A 39 7.683 8.058 5.783 1.00 0.00 C ATOM 0 H THR A 39 6.999 4.093 7.363 1.00 0.00 H new ATOM 0 HA THR A 39 5.717 6.637 6.660 1.00 0.00 H new ATOM 0 HB THR A 39 8.560 6.110 5.812 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.242 7.317 7.702 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.642 8.576 5.758 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.307 7.941 4.766 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.971 8.640 6.368 1.00 0.00 H new ATOM 653 N LEU A 40 6.112 6.052 4.083 1.00 0.00 N ATOM 654 CA LEU A 40 5.879 5.527 2.742 1.00 0.00 C ATOM 655 C LEU A 40 6.173 6.585 1.684 1.00 0.00 C ATOM 656 O LEU A 40 5.752 7.735 1.809 1.00 0.00 O ATOM 657 CB LEU A 40 4.435 5.041 2.607 1.00 0.00 C ATOM 658 CG LEU A 40 4.182 3.975 1.541 1.00 0.00 C ATOM 659 CD1 LEU A 40 2.951 3.152 1.890 1.00 0.00 C ATOM 660 CD2 LEU A 40 4.026 4.617 0.170 1.00 0.00 C ATOM 0 H LEU A 40 6.127 7.070 4.140 1.00 0.00 H new ATOM 0 HA LEU A 40 6.555 4.686 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.114 4.645 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.802 5.901 2.389 1.00 0.00 H new ATOM 0 HG LEU A 40 5.043 3.308 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.787 2.398 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.102 2.661 2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.081 3.806 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.847 3.843 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.183 5.308 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.936 5.161 -0.083 1.00 0.00 H new ATOM 672 N SER A 41 6.895 6.188 0.641 1.00 0.00 N ATOM 673 CA SER A 41 7.246 7.103 -0.439 1.00 0.00 C ATOM 674 C SER A 41 7.121 6.416 -1.795 1.00 0.00 C ATOM 675 O SER A 41 7.034 5.191 -1.877 1.00 0.00 O ATOM 676 CB SER A 41 8.671 7.626 -0.249 1.00 0.00 C ATOM 677 OG SER A 41 8.833 8.214 1.030 1.00 0.00 O ATOM 0 H SER A 41 7.248 5.239 0.521 1.00 0.00 H new ATOM 0 HA SER A 41 6.551 7.943 -0.411 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.381 6.808 -0.369 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.898 8.361 -1.022 1.00 0.00 H new ATOM 0 HG SER A 41 9.753 8.539 1.127 1.00 0.00 H new ATOM 683 N TYR A 42 7.112 7.215 -2.857 1.00 0.00 N ATOM 684 CA TYR A 42 6.994 6.686 -4.210 1.00 0.00 C ATOM 685 C TYR A 42 7.524 7.685 -5.234 1.00 0.00 C ATOM 686 O TYR A 42 7.574 8.888 -4.976 1.00 0.00 O ATOM 687 CB TYR A 42 5.536 6.344 -4.522 1.00 0.00 C ATOM 688 CG TYR A 42 4.674 7.557 -4.788 1.00 0.00 C ATOM 689 CD1 TYR A 42 4.271 8.389 -3.750 1.00 0.00 C ATOM 690 CD2 TYR A 42 4.262 7.872 -6.077 1.00 0.00 C ATOM 691 CE1 TYR A 42 3.482 9.497 -3.989 1.00 0.00 C ATOM 692 CE2 TYR A 42 3.475 8.980 -6.325 1.00 0.00 C ATOM 693 CZ TYR A 42 3.087 9.789 -5.278 1.00 0.00 C ATOM 694 OH TYR A 42 2.302 10.893 -5.520 1.00 0.00 O ATOM 0 H TYR A 42 7.185 8.231 -2.806 1.00 0.00 H new ATOM 0 HA TYR A 42 7.594 5.778 -4.271 1.00 0.00 H new ATOM 0 HB2 TYR A 42 5.503 5.688 -5.392 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.115 5.786 -3.686 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.580 8.165 -2.740 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.562 7.240 -6.899 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.176 10.132 -3.171 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.165 9.211 -7.333 1.00 0.00 H new ATOM 0 HH TYR A 42 2.114 10.956 -6.480 1.00 0.00 H new ATOM 704 N TYR A 43 7.918 7.178 -6.396 1.00 0.00 N ATOM 705 CA TYR A 43 8.447 8.024 -7.460 1.00 0.00 C ATOM 706 C TYR A 43 7.867 7.624 -8.813 1.00 0.00 C ATOM 707 O TYR A 43 7.234 6.576 -8.946 1.00 0.00 O ATOM 708 CB TYR A 43 9.973 7.935 -7.500 1.00 0.00 C ATOM 709 CG TYR A 43 10.605 7.750 -6.139 1.00 0.00 C ATOM 710 CD1 TYR A 43 10.449 6.562 -5.435 1.00 0.00 C ATOM 711 CD2 TYR A 43 11.357 8.763 -5.556 1.00 0.00 C ATOM 712 CE1 TYR A 43 11.024 6.389 -4.190 1.00 0.00 C ATOM 713 CE2 TYR A 43 11.937 8.598 -4.313 1.00 0.00 C ATOM 714 CZ TYR A 43 11.767 7.409 -3.634 1.00 0.00 C ATOM 715 OH TYR A 43 12.342 7.241 -2.395 1.00 0.00 O ATOM 0 H TYR A 43 7.881 6.185 -6.626 1.00 0.00 H new ATOM 0 HA TYR A 43 8.155 9.053 -7.250 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.263 7.103 -8.142 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.370 8.843 -7.955 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.869 5.761 -5.868 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.490 9.696 -6.084 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.892 5.460 -3.655 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.520 9.395 -3.875 1.00 0.00 H new ATOM 0 HH TYR A 43 12.832 8.053 -2.149 1.00 0.00 H new ATOM 725 N LYS A 44 8.088 8.467 -9.816 1.00 0.00 N ATOM 726 CA LYS A 44 7.591 8.203 -11.161 1.00 0.00 C ATOM 727 C LYS A 44 8.541 7.284 -11.922 1.00 0.00 C ATOM 728 O LYS A 44 8.143 6.618 -12.877 1.00 0.00 O ATOM 729 CB LYS A 44 7.412 9.516 -11.927 1.00 0.00 C ATOM 730 CG LYS A 44 8.722 10.157 -12.351 1.00 0.00 C ATOM 731 CD LYS A 44 9.285 11.049 -11.258 1.00 0.00 C ATOM 732 CE LYS A 44 10.198 12.123 -11.830 1.00 0.00 C ATOM 733 NZ LYS A 44 9.429 13.194 -12.521 1.00 0.00 N ATOM 0 H LYS A 44 8.608 9.339 -9.723 1.00 0.00 H new ATOM 0 HA LYS A 44 6.625 7.705 -11.073 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.805 9.330 -12.813 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.859 10.218 -11.303 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.446 9.380 -12.597 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.565 10.744 -13.256 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.466 11.519 -10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.839 10.443 -10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.790 12.562 -11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.898 11.669 -12.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.047 14.014 -12.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.077 12.836 -13.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.625 13.482 -11.928 1.00 0.00 H new ATOM 747 N SER A 45 9.799 7.253 -11.492 1.00 0.00 N ATOM 748 CA SER A 45 10.806 6.417 -12.134 1.00 0.00 C ATOM 749 C SER A 45 11.765 5.832 -11.102 1.00 0.00 C ATOM 750 O SER A 45 12.296 6.550 -10.256 1.00 0.00 O ATOM 751 CB SER A 45 11.587 7.228 -13.171 1.00 0.00 C ATOM 752 OG SER A 45 10.850 7.363 -14.373 1.00 0.00 O ATOM 0 H SER A 45 10.144 7.797 -10.702 1.00 0.00 H new ATOM 0 HA SER A 45 10.295 5.595 -12.636 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.816 8.215 -12.768 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.539 6.739 -13.377 1.00 0.00 H new ATOM 0 HG SER A 45 9.923 7.082 -14.222 1.00 0.00 H new ATOM 758 N GLN A 46 11.980 4.523 -11.180 1.00 0.00 N ATOM 759 CA GLN A 46 12.875 3.840 -10.252 1.00 0.00 C ATOM 760 C GLN A 46 14.258 4.482 -10.257 1.00 0.00 C ATOM 761 O GLN A 46 14.840 4.734 -9.202 1.00 0.00 O ATOM 762 CB GLN A 46 12.986 2.358 -10.615 1.00 0.00 C ATOM 763 CG GLN A 46 13.380 1.473 -9.444 1.00 0.00 C ATOM 764 CD GLN A 46 14.833 1.642 -9.047 1.00 0.00 C ATOM 765 OE1 GLN A 46 15.653 2.113 -9.836 1.00 0.00 O ATOM 766 NE2 GLN A 46 15.161 1.257 -7.819 1.00 0.00 N ATOM 0 H GLN A 46 11.548 3.914 -11.875 1.00 0.00 H new ATOM 0 HA GLN A 46 12.456 3.931 -9.250 1.00 0.00 H new ATOM 0 HB2 GLN A 46 12.030 2.017 -11.012 1.00 0.00 H new ATOM 0 HB3 GLN A 46 13.721 2.242 -11.411 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.745 1.704 -8.589 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.197 0.430 -9.704 1.00 0.00 H new ATOM 0 HE21 GLN A 46 14.449 0.872 -7.198 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.125 1.346 -7.497 1.00 0.00 H new ATOM 775 N ASP A 47 14.779 4.744 -11.451 1.00 0.00 N ATOM 776 CA ASP A 47 16.094 5.357 -11.594 1.00 0.00 C ATOM 777 C ASP A 47 16.168 6.670 -10.820 1.00 0.00 C ATOM 778 O ASP A 47 17.146 6.934 -10.121 1.00 0.00 O ATOM 779 CB ASP A 47 16.408 5.603 -13.070 1.00 0.00 C ATOM 780 CG ASP A 47 16.391 4.326 -13.886 1.00 0.00 C ATOM 781 OD1 ASP A 47 16.976 3.321 -13.429 1.00 0.00 O ATOM 782 OD2 ASP A 47 15.792 4.330 -14.982 1.00 0.00 O ATOM 0 H ASP A 47 14.310 4.541 -12.334 1.00 0.00 H new ATOM 0 HA ASP A 47 16.834 4.671 -11.183 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.681 6.303 -13.481 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.388 6.073 -13.157 1.00 0.00 H new ATOM 787 N GLU A 48 15.128 7.487 -10.950 1.00 0.00 N ATOM 788 CA GLU A 48 15.078 8.773 -10.264 1.00 0.00 C ATOM 789 C GLU A 48 15.372 8.607 -8.776 1.00 0.00 C ATOM 790 O GLU A 48 16.207 9.315 -8.215 1.00 0.00 O ATOM 791 CB GLU A 48 13.706 9.425 -10.454 1.00 0.00 C ATOM 792 CG GLU A 48 13.406 9.801 -11.896 1.00 0.00 C ATOM 793 CD GLU A 48 14.187 11.017 -12.356 1.00 0.00 C ATOM 794 OE1 GLU A 48 14.082 12.072 -11.697 1.00 0.00 O ATOM 795 OE2 GLU A 48 14.902 10.913 -13.374 1.00 0.00 O ATOM 0 H GLU A 48 14.310 7.282 -11.523 1.00 0.00 H new ATOM 0 HA GLU A 48 15.842 9.418 -10.699 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.936 8.741 -10.098 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.649 10.320 -9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.641 8.957 -12.544 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.339 9.998 -12.002 1.00 0.00 H new ATOM 802 N ALA A 49 14.678 7.667 -8.143 1.00 0.00 N ATOM 803 CA ALA A 49 14.865 7.407 -6.721 1.00 0.00 C ATOM 804 C ALA A 49 16.254 6.840 -6.444 1.00 0.00 C ATOM 805 O ALA A 49 16.889 6.239 -7.310 1.00 0.00 O ATOM 806 CB ALA A 49 13.794 6.453 -6.213 1.00 0.00 C ATOM 0 H ALA A 49 13.981 7.073 -8.592 1.00 0.00 H new ATOM 0 HA ALA A 49 14.775 8.354 -6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.946 6.268 -5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.810 6.896 -6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 49 13.858 5.511 -6.758 1.00 0.00 H new ATOM 812 N PRO A 50 16.738 7.036 -5.209 1.00 0.00 N ATOM 813 CA PRO A 50 15.991 7.751 -4.170 1.00 0.00 C ATOM 814 C PRO A 50 15.870 9.242 -4.464 1.00 0.00 C ATOM 815 O PRO A 50 14.781 9.810 -4.405 1.00 0.00 O ATOM 816 CB PRO A 50 16.829 7.521 -2.909 1.00 0.00 C ATOM 817 CG PRO A 50 18.210 7.278 -3.412 1.00 0.00 C ATOM 818 CD PRO A 50 18.053 6.575 -4.732 1.00 0.00 C ATOM 0 HA PRO A 50 14.964 7.394 -4.088 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.795 8.387 -2.248 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.460 6.669 -2.338 1.00 0.00 H new ATOM 0 HG2 PRO A 50 18.752 8.216 -3.532 1.00 0.00 H new ATOM 0 HG3 PRO A 50 18.779 6.668 -2.710 1.00 0.00 H new ATOM 0 HD2 PRO A 50 18.849 6.842 -5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 50 18.081 5.492 -4.616 1.00 0.00 H new ATOM 826 N GLY A 51 16.998 9.871 -4.783 1.00 0.00 N ATOM 827 CA GLY A 51 16.995 11.291 -5.083 1.00 0.00 C ATOM 828 C GLY A 51 15.991 12.059 -4.246 1.00 0.00 C ATOM 829 O GLY A 51 16.264 12.399 -3.095 1.00 0.00 O ATOM 0 H GLY A 51 17.913 9.423 -4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 51 17.992 11.697 -4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.769 11.435 -6.139 1.00 0.00 H new ATOM 833 N ASP A 52 14.828 12.334 -4.826 1.00 0.00 N ATOM 834 CA ASP A 52 13.779 13.067 -4.126 1.00 0.00 C ATOM 835 C ASP A 52 12.408 12.463 -4.415 1.00 0.00 C ATOM 836 O ASP A 52 11.976 12.366 -5.564 1.00 0.00 O ATOM 837 CB ASP A 52 13.798 14.541 -4.535 1.00 0.00 C ATOM 838 CG ASP A 52 13.121 15.433 -3.513 1.00 0.00 C ATOM 839 OD1 ASP A 52 13.773 15.785 -2.508 1.00 0.00 O ATOM 840 OD2 ASP A 52 11.939 15.780 -3.719 1.00 0.00 O ATOM 0 H ASP A 52 14.588 12.061 -5.779 1.00 0.00 H new ATOM 0 HA ASP A 52 13.970 12.993 -3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.830 14.865 -4.669 1.00 0.00 H new ATOM 0 HB3 ASP A 52 13.301 14.654 -5.498 1.00 0.00 H new ATOM 845 N PRO A 53 11.708 12.047 -3.350 1.00 0.00 N ATOM 846 CA PRO A 53 10.376 11.446 -3.464 1.00 0.00 C ATOM 847 C PRO A 53 9.317 12.458 -3.888 1.00 0.00 C ATOM 848 O PRO A 53 9.223 13.546 -3.319 1.00 0.00 O ATOM 849 CB PRO A 53 10.094 10.938 -2.048 1.00 0.00 C ATOM 850 CG PRO A 53 10.925 11.801 -1.163 1.00 0.00 C ATOM 851 CD PRO A 53 12.162 12.133 -1.951 1.00 0.00 C ATOM 0 HA PRO A 53 10.344 10.667 -4.226 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.036 11.021 -1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.364 9.887 -1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.386 12.706 -0.883 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.179 11.282 -0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.537 13.128 -1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.970 11.430 -1.747 1.00 0.00 H new ATOM 859 N ILE A 54 8.523 12.092 -4.888 1.00 0.00 N ATOM 860 CA ILE A 54 7.470 12.968 -5.386 1.00 0.00 C ATOM 861 C ILE A 54 6.712 13.625 -4.238 1.00 0.00 C ATOM 862 O ILE A 54 6.546 14.844 -4.208 1.00 0.00 O ATOM 863 CB ILE A 54 6.472 12.201 -6.273 1.00 0.00 C ATOM 864 CG1 ILE A 54 7.169 11.680 -7.531 1.00 0.00 C ATOM 865 CG2 ILE A 54 5.297 13.094 -6.643 1.00 0.00 C ATOM 866 CD1 ILE A 54 6.400 10.588 -8.240 1.00 0.00 C ATOM 0 H ILE A 54 8.589 11.195 -5.369 1.00 0.00 H new ATOM 0 HA ILE A 54 7.957 13.738 -5.984 1.00 0.00 H new ATOM 0 HB ILE A 54 6.092 11.347 -5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.324 12.510 -8.220 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.155 11.302 -7.260 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.600 12.538 -7.270 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.788 13.420 -5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.660 13.965 -7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.954 10.267 -9.122 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.267 9.741 -7.567 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.424 10.968 -8.542 1.00 0.00 H new ATOM 878 N GLN A 55 6.256 12.808 -3.293 1.00 0.00 N ATOM 879 CA GLN A 55 5.517 13.310 -2.141 1.00 0.00 C ATOM 880 C GLN A 55 5.555 12.310 -0.991 1.00 0.00 C ATOM 881 O GLN A 55 5.083 11.181 -1.123 1.00 0.00 O ATOM 882 CB GLN A 55 4.066 13.604 -2.528 1.00 0.00 C ATOM 883 CG GLN A 55 3.855 15.006 -3.078 1.00 0.00 C ATOM 884 CD GLN A 55 2.432 15.496 -2.897 1.00 0.00 C ATOM 885 OE1 GLN A 55 1.732 15.778 -3.869 1.00 0.00 O ATOM 886 NE2 GLN A 55 1.996 15.600 -1.647 1.00 0.00 N ATOM 0 H GLN A 55 6.386 11.796 -3.303 1.00 0.00 H new ATOM 0 HA GLN A 55 5.993 14.234 -1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.743 12.878 -3.274 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.430 13.466 -1.653 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.538 15.694 -2.580 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.107 15.018 -4.138 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.611 15.355 -0.871 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.047 15.924 -1.463 1.00 0.00 H new ATOM 895 N GLN A 56 6.122 12.732 0.135 1.00 0.00 N ATOM 896 CA GLN A 56 6.223 11.871 1.308 1.00 0.00 C ATOM 897 C GLN A 56 4.961 11.962 2.160 1.00 0.00 C ATOM 898 O GLN A 56 4.457 13.054 2.427 1.00 0.00 O ATOM 899 CB GLN A 56 7.446 12.253 2.143 1.00 0.00 C ATOM 900 CG GLN A 56 7.386 13.667 2.697 1.00 0.00 C ATOM 901 CD GLN A 56 6.704 13.736 4.049 1.00 0.00 C ATOM 902 OE1 GLN A 56 6.327 12.712 4.620 1.00 0.00 O ATOM 903 NE2 GLN A 56 6.541 14.947 4.569 1.00 0.00 N ATOM 0 H GLN A 56 6.518 13.664 0.260 1.00 0.00 H new ATOM 0 HA GLN A 56 6.334 10.842 0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.544 11.551 2.971 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.341 12.150 1.530 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.398 14.062 2.784 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.854 14.307 1.993 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.869 15.769 4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.088 15.056 5.476 1.00 0.00 H new ATOM 912 N LEU A 57 4.456 10.809 2.585 1.00 0.00 N ATOM 913 CA LEU A 57 3.252 10.759 3.408 1.00 0.00 C ATOM 914 C LEU A 57 3.458 9.853 4.618 1.00 0.00 C ATOM 915 O LEU A 57 3.812 8.683 4.477 1.00 0.00 O ATOM 916 CB LEU A 57 2.066 10.262 2.580 1.00 0.00 C ATOM 917 CG LEU A 57 1.920 10.869 1.184 1.00 0.00 C ATOM 918 CD1 LEU A 57 2.706 10.058 0.165 1.00 0.00 C ATOM 919 CD2 LEU A 57 0.453 10.950 0.788 1.00 0.00 C ATOM 0 H LEU A 57 4.861 9.897 2.374 1.00 0.00 H new ATOM 0 HA LEU A 57 3.041 11.767 3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.149 9.180 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.151 10.460 3.138 1.00 0.00 H new ATOM 0 HG LEU A 57 2.326 11.880 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.591 10.505 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.761 10.053 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.331 9.035 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.368 11.384 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.021 9.949 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.083 11.574 1.503 1.00 0.00 H new ATOM 931 N ASN A 58 3.231 10.402 5.807 1.00 0.00 N ATOM 932 CA ASN A 58 3.389 9.642 7.042 1.00 0.00 C ATOM 933 C ASN A 58 2.140 8.818 7.337 1.00 0.00 C ATOM 934 O ASN A 58 1.188 9.309 7.945 1.00 0.00 O ATOM 935 CB ASN A 58 3.679 10.586 8.211 1.00 0.00 C ATOM 936 CG ASN A 58 3.955 9.839 9.502 1.00 0.00 C ATOM 937 OD1 ASN A 58 4.480 8.725 9.488 1.00 0.00 O ATOM 938 ND2 ASN A 58 3.601 10.450 10.626 1.00 0.00 N ATOM 0 H ASN A 58 2.937 11.369 5.941 1.00 0.00 H new ATOM 0 HA ASN A 58 4.230 8.961 6.916 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.537 11.211 7.965 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.829 11.253 8.355 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.761 9.996 11.525 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.169 11.373 10.590 1.00 0.00 H new ATOM 945 N LEU A 59 2.151 7.562 6.904 1.00 0.00 N ATOM 946 CA LEU A 59 1.019 6.667 7.122 1.00 0.00 C ATOM 947 C LEU A 59 0.377 6.924 8.481 1.00 0.00 C ATOM 948 O LEU A 59 -0.836 6.783 8.644 1.00 0.00 O ATOM 949 CB LEU A 59 1.471 5.209 7.026 1.00 0.00 C ATOM 950 CG LEU A 59 1.554 4.624 5.616 1.00 0.00 C ATOM 951 CD1 LEU A 59 2.354 3.331 5.621 1.00 0.00 C ATOM 952 CD2 LEU A 59 0.160 4.388 5.053 1.00 0.00 C ATOM 0 H LEU A 59 2.931 7.140 6.400 1.00 0.00 H new ATOM 0 HA LEU A 59 0.277 6.863 6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.452 5.122 7.492 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.785 4.597 7.612 1.00 0.00 H new ATOM 0 HG LEU A 59 2.066 5.342 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.402 2.929 4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.363 3.529 5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.870 2.606 6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.239 3.971 4.049 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.378 3.690 5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.381 5.334 5.012 1.00 0.00 H new ATOM 964 N LYS A 60 1.197 7.304 9.455 1.00 0.00 N ATOM 965 CA LYS A 60 0.709 7.585 10.801 1.00 0.00 C ATOM 966 C LYS A 60 -0.274 8.751 10.791 1.00 0.00 C ATOM 967 O LYS A 60 0.084 9.874 10.440 1.00 0.00 O ATOM 968 CB LYS A 60 1.880 7.898 11.735 1.00 0.00 C ATOM 969 CG LYS A 60 1.560 7.687 13.204 1.00 0.00 C ATOM 970 CD LYS A 60 2.824 7.534 14.034 1.00 0.00 C ATOM 971 CE LYS A 60 2.587 7.919 15.486 1.00 0.00 C ATOM 972 NZ LYS A 60 2.604 9.395 15.679 1.00 0.00 N ATOM 0 H LYS A 60 2.203 7.425 9.338 1.00 0.00 H new ATOM 0 HA LYS A 60 0.189 6.699 11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.728 7.270 11.463 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.188 8.933 11.584 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.980 8.531 13.576 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.939 6.798 13.318 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.172 6.502 13.982 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.613 8.158 13.615 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.627 7.521 15.815 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.353 7.462 16.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.439 9.616 16.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.529 9.772 15.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.856 9.829 15.101 1.00 0.00 H new ATOM 986 N GLY A 61 -1.515 8.476 11.181 1.00 0.00 N ATOM 987 CA GLY A 61 -2.530 9.513 11.211 1.00 0.00 C ATOM 988 C GLY A 61 -3.446 9.462 10.005 1.00 0.00 C ATOM 989 O GLY A 61 -4.578 9.947 10.056 1.00 0.00 O ATOM 0 H GLY A 61 -1.835 7.554 11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.124 9.410 12.119 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.047 10.489 11.255 1.00 0.00 H new ATOM 993 N CYS A 62 -2.958 8.876 8.917 1.00 0.00 N ATOM 994 CA CYS A 62 -3.741 8.766 7.691 1.00 0.00 C ATOM 995 C CYS A 62 -4.926 7.826 7.885 1.00 0.00 C ATOM 996 O CYS A 62 -5.156 7.321 8.984 1.00 0.00 O ATOM 997 CB CYS A 62 -2.862 8.269 6.543 1.00 0.00 C ATOM 998 SG CYS A 62 -1.220 9.023 6.491 1.00 0.00 S ATOM 0 H CYS A 62 -2.024 8.470 8.859 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.123 9.756 7.443 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -2.751 7.188 6.626 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.370 8.465 5.599 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.767 9.160 7.702 1.00 0.00 H new ATOM 1004 N GLU A 63 -5.675 7.596 6.811 1.00 0.00 N ATOM 1005 CA GLU A 63 -6.838 6.718 6.865 1.00 0.00 C ATOM 1006 C GLU A 63 -6.663 5.526 5.929 1.00 0.00 C ATOM 1007 O GLU A 63 -6.225 5.676 4.789 1.00 0.00 O ATOM 1008 CB GLU A 63 -8.106 7.490 6.494 1.00 0.00 C ATOM 1009 CG GLU A 63 -9.364 6.638 6.507 1.00 0.00 C ATOM 1010 CD GLU A 63 -10.632 7.469 6.486 1.00 0.00 C ATOM 1011 OE1 GLU A 63 -11.103 7.860 7.575 1.00 0.00 O ATOM 1012 OE2 GLU A 63 -11.153 7.729 5.382 1.00 0.00 O ATOM 0 H GLU A 63 -5.497 8.005 5.894 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.934 6.346 7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.232 8.320 7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.981 7.922 5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.356 5.972 5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.362 6.007 7.396 1.00 0.00 H new ATOM 1019 N VAL A 64 -7.008 4.340 6.420 1.00 0.00 N ATOM 1020 CA VAL A 64 -6.891 3.121 5.629 1.00 0.00 C ATOM 1021 C VAL A 64 -8.131 2.247 5.778 1.00 0.00 C ATOM 1022 O VAL A 64 -8.598 1.997 6.889 1.00 0.00 O ATOM 1023 CB VAL A 64 -5.649 2.305 6.037 1.00 0.00 C ATOM 1024 CG1 VAL A 64 -5.712 1.938 7.511 1.00 0.00 C ATOM 1025 CG2 VAL A 64 -5.525 1.059 5.173 1.00 0.00 C ATOM 0 H VAL A 64 -7.371 4.198 7.363 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.790 3.428 4.588 1.00 0.00 H new ATOM 0 HB VAL A 64 -4.763 2.919 5.879 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.827 1.362 7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.750 2.847 8.111 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.604 1.341 7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.643 0.494 5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.413 0.439 5.298 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.430 1.350 4.127 1.00 0.00 H new ATOM 1035 N VAL A 65 -8.661 1.784 4.650 1.00 0.00 N ATOM 1036 CA VAL A 65 -9.847 0.936 4.654 1.00 0.00 C ATOM 1037 C VAL A 65 -9.702 -0.216 3.666 1.00 0.00 C ATOM 1038 O VAL A 65 -9.253 -0.042 2.533 1.00 0.00 O ATOM 1039 CB VAL A 65 -11.113 1.741 4.306 1.00 0.00 C ATOM 1040 CG1 VAL A 65 -12.312 0.815 4.165 1.00 0.00 C ATOM 1041 CG2 VAL A 65 -11.373 2.806 5.359 1.00 0.00 C ATOM 0 H VAL A 65 -8.287 1.982 3.722 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.947 0.535 5.663 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.954 2.240 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.197 1.401 3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.123 0.093 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.476 0.287 5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.271 3.365 5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.512 2.331 6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.523 3.487 5.406 1.00 0.00 H new ATOM 1051 N PRO A 66 -10.091 -1.423 4.103 1.00 0.00 N ATOM 1052 CA PRO A 66 -10.016 -2.628 3.272 1.00 0.00 C ATOM 1053 C PRO A 66 -11.025 -2.608 2.129 1.00 0.00 C ATOM 1054 O PRO A 66 -12.233 -2.669 2.354 1.00 0.00 O ATOM 1055 CB PRO A 66 -10.342 -3.757 4.253 1.00 0.00 C ATOM 1056 CG PRO A 66 -11.158 -3.109 5.318 1.00 0.00 C ATOM 1057 CD PRO A 66 -10.636 -1.703 5.442 1.00 0.00 C ATOM 0 HA PRO A 66 -9.043 -2.731 2.791 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.894 -4.559 3.764 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.434 -4.199 4.664 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.216 -3.111 5.055 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.064 -3.645 6.262 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.427 -1.002 5.708 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.869 -1.625 6.213 1.00 0.00 H new ATOM 1065 N ASP A 67 -10.520 -2.522 0.903 1.00 0.00 N ATOM 1066 CA ASP A 67 -11.378 -2.496 -0.277 1.00 0.00 C ATOM 1067 C ASP A 67 -11.186 -3.755 -1.116 1.00 0.00 C ATOM 1068 O ASP A 67 -11.265 -3.713 -2.344 1.00 0.00 O ATOM 1069 CB ASP A 67 -11.083 -1.255 -1.121 1.00 0.00 C ATOM 1070 CG ASP A 67 -11.875 -0.045 -0.668 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -11.909 0.220 0.551 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -12.463 0.637 -1.534 1.00 0.00 O ATOM 0 H ASP A 67 -9.522 -2.469 0.700 1.00 0.00 H new ATOM 0 HA ASP A 67 -12.415 -2.459 0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.018 -1.029 -1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.313 -1.466 -2.165 1.00 0.00 H new ATOM 1077 N VAL A 68 -10.934 -4.875 -0.445 1.00 0.00 N ATOM 1078 CA VAL A 68 -10.731 -6.146 -1.129 1.00 0.00 C ATOM 1079 C VAL A 68 -12.056 -6.865 -1.359 1.00 0.00 C ATOM 1080 O VAL A 68 -12.968 -6.782 -0.538 1.00 0.00 O ATOM 1081 CB VAL A 68 -9.790 -7.069 -0.331 1.00 0.00 C ATOM 1082 CG1 VAL A 68 -8.443 -6.398 -0.112 1.00 0.00 C ATOM 1083 CG2 VAL A 68 -10.425 -7.456 0.996 1.00 0.00 C ATOM 0 H VAL A 68 -10.866 -4.927 0.571 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.274 -5.918 -2.092 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.625 -7.979 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.792 -7.065 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.986 -6.176 -1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.584 -5.471 0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.747 -8.108 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.621 -6.558 1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.363 -7.980 0.811 1.00 0.00 H new ATOM 1093 N ASN A 69 -12.153 -7.570 -2.481 1.00 0.00 N ATOM 1094 CA ASN A 69 -13.368 -8.304 -2.819 1.00 0.00 C ATOM 1095 C ASN A 69 -13.037 -9.722 -3.276 1.00 0.00 C ATOM 1096 O ASN A 69 -12.678 -9.945 -4.432 1.00 0.00 O ATOM 1097 CB ASN A 69 -14.143 -7.571 -3.915 1.00 0.00 C ATOM 1098 CG ASN A 69 -15.309 -8.385 -4.441 1.00 0.00 C ATOM 1099 OD1 ASN A 69 -15.770 -9.323 -3.791 1.00 0.00 O ATOM 1100 ND2 ASN A 69 -15.793 -8.028 -5.626 1.00 0.00 N ATOM 0 H ASN A 69 -11.406 -7.649 -3.171 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.987 -8.365 -1.924 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -14.512 -6.623 -3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.468 -7.335 -4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -16.578 -8.538 -6.031 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -15.380 -7.244 -6.130 1.00 0.00 H new ATOM 1107 N VAL A 70 -13.162 -10.677 -2.360 1.00 0.00 N ATOM 1108 CA VAL A 70 -12.878 -12.074 -2.668 1.00 0.00 C ATOM 1109 C VAL A 70 -13.793 -12.589 -3.774 1.00 0.00 C ATOM 1110 O VAL A 70 -13.353 -13.304 -4.674 1.00 0.00 O ATOM 1111 CB VAL A 70 -13.040 -12.967 -1.424 1.00 0.00 C ATOM 1112 CG1 VAL A 70 -12.815 -14.428 -1.783 1.00 0.00 C ATOM 1113 CG2 VAL A 70 -12.087 -12.527 -0.324 1.00 0.00 C ATOM 0 H VAL A 70 -13.458 -10.509 -1.398 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.843 -12.120 -3.006 1.00 0.00 H new ATOM 0 HB VAL A 70 -14.059 -12.861 -1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -12.934 -15.044 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.542 -14.734 -2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.808 -14.554 -2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.216 -13.169 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.060 -12.601 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.301 -11.494 -0.048 1.00 0.00 H new ATOM 1123 N SER A 71 -15.068 -12.220 -3.699 1.00 0.00 N ATOM 1124 CA SER A 71 -16.046 -12.648 -4.692 1.00 0.00 C ATOM 1125 C SER A 71 -15.544 -12.368 -6.105 1.00 0.00 C ATOM 1126 O SER A 71 -15.895 -13.071 -7.052 1.00 0.00 O ATOM 1127 CB SER A 71 -17.381 -11.937 -4.462 1.00 0.00 C ATOM 1128 OG SER A 71 -17.598 -11.691 -3.084 1.00 0.00 O ATOM 0 H SER A 71 -15.447 -11.626 -2.962 1.00 0.00 H new ATOM 0 HA SER A 71 -16.191 -13.723 -4.584 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.393 -10.994 -5.009 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.194 -12.546 -4.858 1.00 0.00 H new ATOM 0 HG SER A 71 -18.457 -11.234 -2.964 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.719 -11.334 -6.240 1.00 0.00 N ATOM 1135 CA GLY A 72 -14.182 -10.978 -7.540 1.00 0.00 C ATOM 1136 C GLY A 72 -12.672 -11.105 -7.598 1.00 0.00 C ATOM 1137 O GLY A 72 -12.017 -10.435 -8.395 1.00 0.00 O ATOM 0 H GLY A 72 -14.413 -10.737 -5.472 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.627 -11.619 -8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.467 -9.953 -7.779 1.00 0.00 H new ATOM 1141 N GLN A 73 -12.120 -11.967 -6.750 1.00 0.00 N ATOM 1142 CA GLN A 73 -10.678 -12.178 -6.707 1.00 0.00 C ATOM 1143 C GLN A 73 -9.931 -10.852 -6.812 1.00 0.00 C ATOM 1144 O GLN A 73 -8.876 -10.770 -7.442 1.00 0.00 O ATOM 1145 CB GLN A 73 -10.244 -13.112 -7.838 1.00 0.00 C ATOM 1146 CG GLN A 73 -10.877 -14.492 -7.763 1.00 0.00 C ATOM 1147 CD GLN A 73 -10.454 -15.262 -6.528 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -9.616 -16.162 -6.600 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -11.032 -14.912 -5.385 1.00 0.00 N ATOM 0 H GLN A 73 -12.649 -12.530 -6.084 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.432 -12.639 -5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.500 -12.655 -8.794 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.159 -13.217 -7.815 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.962 -14.390 -7.769 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.605 -15.061 -8.652 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.721 -14.160 -5.371 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.787 -15.395 -4.521 1.00 0.00 H new ATOM 1158 N LYS A 74 -10.484 -9.816 -6.191 1.00 0.00 N ATOM 1159 CA LYS A 74 -9.870 -8.494 -6.213 1.00 0.00 C ATOM 1160 C LYS A 74 -9.399 -8.089 -4.819 1.00 0.00 C ATOM 1161 O LYS A 74 -9.984 -8.493 -3.814 1.00 0.00 O ATOM 1162 CB LYS A 74 -10.861 -7.458 -6.748 1.00 0.00 C ATOM 1163 CG LYS A 74 -10.369 -6.026 -6.627 1.00 0.00 C ATOM 1164 CD LYS A 74 -11.427 -5.033 -7.080 1.00 0.00 C ATOM 1165 CE LYS A 74 -11.482 -4.931 -8.596 1.00 0.00 C ATOM 1166 NZ LYS A 74 -10.303 -4.206 -9.146 1.00 0.00 N ATOM 0 H LYS A 74 -11.357 -9.867 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.003 -8.535 -6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.069 -7.674 -7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.803 -7.556 -6.209 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.095 -5.821 -5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.468 -5.898 -7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.401 -5.339 -6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.212 -4.052 -6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.526 -5.932 -9.026 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.396 -4.416 -8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.492 -3.934 -10.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.125 -3.352 -8.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.468 -4.825 -9.111 1.00 0.00 H new ATOM 1180 N PHE A 75 -8.340 -7.289 -4.767 1.00 0.00 N ATOM 1181 CA PHE A 75 -7.792 -6.829 -3.496 1.00 0.00 C ATOM 1182 C PHE A 75 -7.194 -5.432 -3.635 1.00 0.00 C ATOM 1183 O PHE A 75 -6.202 -5.237 -4.338 1.00 0.00 O ATOM 1184 CB PHE A 75 -6.725 -7.804 -2.994 1.00 0.00 C ATOM 1185 CG PHE A 75 -7.166 -9.240 -3.020 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -7.208 -9.944 -4.212 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -7.537 -9.885 -1.851 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -7.614 -11.265 -4.239 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -7.944 -11.206 -1.872 1.00 0.00 C ATOM 1190 CZ PHE A 75 -7.981 -11.897 -3.067 1.00 0.00 C ATOM 0 H PHE A 75 -7.844 -6.946 -5.589 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.606 -6.787 -2.772 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.829 -7.696 -3.605 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.449 -7.535 -1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.920 -9.455 -5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.508 -9.350 -0.913 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.644 -11.802 -5.175 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.233 -11.697 -0.955 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.296 -12.930 -3.085 1.00 0.00 H new ATOM 1200 N CYS A 76 -7.805 -4.464 -2.961 1.00 0.00 N ATOM 1201 CA CYS A 76 -7.336 -3.084 -3.010 1.00 0.00 C ATOM 1202 C CYS A 76 -7.297 -2.473 -1.613 1.00 0.00 C ATOM 1203 O CYS A 76 -8.066 -2.862 -0.734 1.00 0.00 O ATOM 1204 CB CYS A 76 -8.237 -2.249 -3.921 1.00 0.00 C ATOM 1205 SG CYS A 76 -7.541 -0.643 -4.376 1.00 0.00 S ATOM 0 H CYS A 76 -8.626 -4.609 -2.374 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.324 -3.084 -3.415 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.441 -2.815 -4.830 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -9.193 -2.091 -3.422 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.374 -0.012 -5.149 1.00 0.00 H new ATOM 1211 N ILE A 77 -6.396 -1.516 -1.417 1.00 0.00 N ATOM 1212 CA ILE A 77 -6.257 -0.852 -0.126 1.00 0.00 C ATOM 1213 C ILE A 77 -6.478 0.651 -0.255 1.00 0.00 C ATOM 1214 O ILE A 77 -5.650 1.366 -0.821 1.00 0.00 O ATOM 1215 CB ILE A 77 -4.869 -1.105 0.490 1.00 0.00 C ATOM 1216 CG1 ILE A 77 -4.549 -2.601 0.485 1.00 0.00 C ATOM 1217 CG2 ILE A 77 -4.809 -0.550 1.905 1.00 0.00 C ATOM 1218 CD1 ILE A 77 -3.129 -2.917 0.901 1.00 0.00 C ATOM 0 H ILE A 77 -5.752 -1.183 -2.135 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.019 -1.274 0.530 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.121 -0.591 -0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.238 -3.114 1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.723 -2.998 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.822 -0.736 2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.998 0.523 1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.565 -1.039 2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.973 -3.996 0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.433 -2.433 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.956 -2.551 1.913 1.00 0.00 H new ATOM 1230 N LYS A 78 -7.600 1.126 0.275 1.00 0.00 N ATOM 1231 CA LYS A 78 -7.930 2.545 0.223 1.00 0.00 C ATOM 1232 C LYS A 78 -7.000 3.354 1.123 1.00 0.00 C ATOM 1233 O LYS A 78 -6.976 3.163 2.339 1.00 0.00 O ATOM 1234 CB LYS A 78 -9.384 2.768 0.645 1.00 0.00 C ATOM 1235 CG LYS A 78 -9.731 4.226 0.890 1.00 0.00 C ATOM 1236 CD LYS A 78 -11.232 4.432 0.999 1.00 0.00 C ATOM 1237 CE LYS A 78 -11.567 5.693 1.782 1.00 0.00 C ATOM 1238 NZ LYS A 78 -12.969 5.679 2.282 1.00 0.00 N ATOM 0 H LYS A 78 -8.297 0.548 0.746 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.800 2.884 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.042 2.372 -0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.581 2.199 1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.249 4.567 1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.337 4.836 0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.665 4.497 0.001 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.684 3.569 1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.882 5.790 2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.417 6.566 1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.158 6.555 2.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.624 5.612 1.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.106 4.861 2.909 1.00 0.00 H new ATOM 1252 N LEU A 79 -6.237 4.257 0.518 1.00 0.00 N ATOM 1253 CA LEU A 79 -5.306 5.096 1.264 1.00 0.00 C ATOM 1254 C LEU A 79 -5.709 6.564 1.180 1.00 0.00 C ATOM 1255 O LEU A 79 -5.638 7.178 0.115 1.00 0.00 O ATOM 1256 CB LEU A 79 -3.884 4.913 0.731 1.00 0.00 C ATOM 1257 CG LEU A 79 -3.055 3.811 1.391 1.00 0.00 C ATOM 1258 CD1 LEU A 79 -3.686 2.449 1.146 1.00 0.00 C ATOM 1259 CD2 LEU A 79 -1.624 3.838 0.876 1.00 0.00 C ATOM 0 H LEU A 79 -6.245 4.427 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.337 4.790 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.942 4.705 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.351 5.857 0.844 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.036 3.992 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.082 1.677 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.692 2.433 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.737 2.259 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.049 3.047 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.623 3.683 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.173 4.804 1.104 1.00 0.00 H new ATOM 1271 N LEU A 80 -6.129 7.123 2.310 1.00 0.00 N ATOM 1272 CA LEU A 80 -6.540 8.521 2.365 1.00 0.00 C ATOM 1273 C LEU A 80 -5.662 9.310 3.331 1.00 0.00 C ATOM 1274 O LEU A 80 -5.720 9.110 4.544 1.00 0.00 O ATOM 1275 CB LEU A 80 -8.006 8.625 2.790 1.00 0.00 C ATOM 1276 CG LEU A 80 -9.037 8.577 1.661 1.00 0.00 C ATOM 1277 CD1 LEU A 80 -8.997 9.860 0.846 1.00 0.00 C ATOM 1278 CD2 LEU A 80 -8.795 7.368 0.769 1.00 0.00 C ATOM 0 H LEU A 80 -6.194 6.629 3.200 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.425 8.947 1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.220 7.814 3.486 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.140 9.558 3.338 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.028 8.484 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.737 9.807 0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.220 10.709 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.005 9.985 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.538 7.350 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.797 7.430 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.876 6.457 1.361 1.00 0.00 H new ATOM 1290 N VAL A 81 -4.850 10.209 2.785 1.00 0.00 N ATOM 1291 CA VAL A 81 -3.961 11.031 3.598 1.00 0.00 C ATOM 1292 C VAL A 81 -4.422 12.484 3.618 1.00 0.00 C ATOM 1293 O VAL A 81 -4.338 13.202 2.621 1.00 0.00 O ATOM 1294 CB VAL A 81 -2.511 10.970 3.082 1.00 0.00 C ATOM 1295 CG1 VAL A 81 -1.571 11.678 4.046 1.00 0.00 C ATOM 1296 CG2 VAL A 81 -2.082 9.527 2.868 1.00 0.00 C ATOM 0 H VAL A 81 -4.789 10.387 1.782 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.995 10.628 4.610 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.463 11.485 2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.551 11.625 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.868 12.722 4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.619 11.195 5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.055 9.503 2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.145 8.985 3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.738 9.057 2.135 1.00 0.00 H new ATOM 1306 N PRO A 82 -4.921 12.931 4.780 1.00 0.00 N ATOM 1307 CA PRO A 82 -5.404 14.303 4.959 1.00 0.00 C ATOM 1308 C PRO A 82 -4.271 15.324 4.940 1.00 0.00 C ATOM 1309 O PRO A 82 -3.246 15.140 5.597 1.00 0.00 O ATOM 1310 CB PRO A 82 -6.069 14.269 6.337 1.00 0.00 C ATOM 1311 CG PRO A 82 -5.391 13.155 7.057 1.00 0.00 C ATOM 1312 CD PRO A 82 -5.050 12.131 6.009 1.00 0.00 C ATOM 0 HA PRO A 82 -6.074 14.607 4.155 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.941 15.216 6.862 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.141 14.093 6.255 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.493 13.508 7.565 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.043 12.730 7.820 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.124 11.606 6.246 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.830 11.375 5.917 1.00 0.00 H new ATOM 1320 N SER A 83 -4.462 16.400 4.183 1.00 0.00 N ATOM 1321 CA SER A 83 -3.454 17.448 4.077 1.00 0.00 C ATOM 1322 C SER A 83 -4.109 18.815 3.897 1.00 0.00 C ATOM 1323 O SER A 83 -5.225 18.935 3.392 1.00 0.00 O ATOM 1324 CB SER A 83 -2.514 17.163 2.904 1.00 0.00 C ATOM 1325 OG SER A 83 -1.624 16.104 3.211 1.00 0.00 O ATOM 0 H SER A 83 -5.305 16.569 3.634 1.00 0.00 H new ATOM 0 HA SER A 83 -2.877 17.459 5.002 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.098 16.907 2.020 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.946 18.061 2.662 1.00 0.00 H new ATOM 0 HG SER A 83 -1.872 15.708 4.073 1.00 0.00 H new ATOM 1331 N PRO A 84 -3.399 19.870 4.322 1.00 0.00 N ATOM 1332 CA PRO A 84 -3.889 21.248 4.219 1.00 0.00 C ATOM 1333 C PRO A 84 -3.941 21.739 2.776 1.00 0.00 C ATOM 1334 O PRO A 84 -4.585 22.743 2.476 1.00 0.00 O ATOM 1335 CB PRO A 84 -2.862 22.051 5.020 1.00 0.00 C ATOM 1336 CG PRO A 84 -1.616 21.237 4.963 1.00 0.00 C ATOM 1337 CD PRO A 84 -2.061 19.801 4.934 1.00 0.00 C ATOM 0 HA PRO A 84 -4.910 21.346 4.589 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.709 23.040 4.588 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.191 22.200 6.049 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -1.030 21.482 4.077 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -0.982 21.432 5.828 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.382 19.182 4.347 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.099 19.372 5.935 1.00 0.00 H new ATOM 1345 N GLU A 85 -3.259 21.023 1.887 1.00 0.00 N ATOM 1346 CA GLU A 85 -3.228 21.387 0.476 1.00 0.00 C ATOM 1347 C GLU A 85 -4.501 20.932 -0.232 1.00 0.00 C ATOM 1348 O GLU A 85 -4.889 21.491 -1.256 1.00 0.00 O ATOM 1349 CB GLU A 85 -2.005 20.771 -0.206 1.00 0.00 C ATOM 1350 CG GLU A 85 -2.160 19.291 -0.514 1.00 0.00 C ATOM 1351 CD GLU A 85 -0.865 18.653 -0.977 1.00 0.00 C ATOM 1352 OE1 GLU A 85 0.192 18.958 -0.386 1.00 0.00 O ATOM 1353 OE2 GLU A 85 -0.909 17.847 -1.930 1.00 0.00 O ATOM 0 H GLU A 85 -2.721 20.188 2.119 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.164 22.473 0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.808 21.308 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.134 20.911 0.434 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.517 18.774 0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -2.920 19.162 -1.284 1.00 0.00 H new ATOM 1360 N GLY A 86 -5.147 19.910 0.323 1.00 0.00 N ATOM 1361 CA GLY A 86 -6.369 19.396 -0.267 1.00 0.00 C ATOM 1362 C GLY A 86 -6.671 17.976 0.169 1.00 0.00 C ATOM 1363 O GLY A 86 -7.188 17.753 1.263 1.00 0.00 O ATOM 0 H GLY A 86 -4.845 19.429 1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.202 20.042 0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.286 19.429 -1.353 1.00 0.00 H new ATOM 1367 N MET A 87 -6.348 17.014 -0.689 1.00 0.00 N ATOM 1368 CA MET A 87 -6.589 15.608 -0.385 1.00 0.00 C ATOM 1369 C MET A 87 -5.819 14.705 -1.345 1.00 0.00 C ATOM 1370 O MET A 87 -5.960 14.815 -2.563 1.00 0.00 O ATOM 1371 CB MET A 87 -8.084 15.296 -0.462 1.00 0.00 C ATOM 1372 CG MET A 87 -8.504 14.114 0.397 1.00 0.00 C ATOM 1373 SD MET A 87 -7.677 12.584 -0.076 1.00 0.00 S ATOM 1374 CE MET A 87 -6.622 12.315 1.346 1.00 0.00 C ATOM 0 H MET A 87 -5.919 17.182 -1.599 1.00 0.00 H new ATOM 0 HA MET A 87 -6.237 15.416 0.629 1.00 0.00 H new ATOM 0 HB2 MET A 87 -8.647 16.177 -0.153 1.00 0.00 H new ATOM 0 HB3 MET A 87 -8.352 15.094 -1.499 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.285 14.333 1.442 1.00 0.00 H new ATOM 0 HG3 MET A 87 -9.583 13.978 0.319 1.00 0.00 H new ATOM 0 HE1 MET A 87 -5.606 12.107 1.011 1.00 0.00 H new ATOM 0 HE2 MET A 87 -6.622 13.207 1.973 1.00 0.00 H new ATOM 0 HE3 MET A 87 -6.995 11.467 1.921 1.00 0.00 H new ATOM 1384 N SER A 88 -5.006 13.814 -0.788 1.00 0.00 N ATOM 1385 CA SER A 88 -4.212 12.895 -1.595 1.00 0.00 C ATOM 1386 C SER A 88 -4.869 11.520 -1.658 1.00 0.00 C ATOM 1387 O SER A 88 -4.850 10.766 -0.686 1.00 0.00 O ATOM 1388 CB SER A 88 -2.798 12.771 -1.022 1.00 0.00 C ATOM 1389 OG SER A 88 -2.079 13.983 -1.171 1.00 0.00 O ATOM 0 H SER A 88 -4.880 13.709 0.219 1.00 0.00 H new ATOM 0 HA SER A 88 -4.153 13.297 -2.606 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.852 12.504 0.033 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.267 11.965 -1.528 1.00 0.00 H new ATOM 0 HG SER A 88 -1.180 13.878 -0.796 1.00 0.00 H new ATOM 1395 N GLU A 89 -5.451 11.201 -2.811 1.00 0.00 N ATOM 1396 CA GLU A 89 -6.115 9.917 -3.001 1.00 0.00 C ATOM 1397 C GLU A 89 -5.186 8.921 -3.688 1.00 0.00 C ATOM 1398 O GLU A 89 -4.688 9.175 -4.785 1.00 0.00 O ATOM 1399 CB GLU A 89 -7.390 10.096 -3.828 1.00 0.00 C ATOM 1400 CG GLU A 89 -8.627 10.366 -2.988 1.00 0.00 C ATOM 1401 CD GLU A 89 -9.653 11.213 -3.716 1.00 0.00 C ATOM 1402 OE1 GLU A 89 -10.458 10.643 -4.482 1.00 0.00 O ATOM 1403 OE2 GLU A 89 -9.651 12.446 -3.519 1.00 0.00 O ATOM 0 H GLU A 89 -5.476 11.814 -3.626 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.379 9.524 -2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.248 10.921 -4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.555 9.199 -4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.081 9.417 -2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.333 10.869 -2.067 1.00 0.00 H new ATOM 1410 N ILE A 90 -4.958 7.787 -3.034 1.00 0.00 N ATOM 1411 CA ILE A 90 -4.090 6.751 -3.581 1.00 0.00 C ATOM 1412 C ILE A 90 -4.746 5.378 -3.489 1.00 0.00 C ATOM 1413 O ILE A 90 -5.109 4.924 -2.404 1.00 0.00 O ATOM 1414 CB ILE A 90 -2.734 6.711 -2.852 1.00 0.00 C ATOM 1415 CG1 ILE A 90 -1.923 7.970 -3.166 1.00 0.00 C ATOM 1416 CG2 ILE A 90 -1.958 5.463 -3.246 1.00 0.00 C ATOM 1417 CD1 ILE A 90 -0.771 8.199 -2.213 1.00 0.00 C ATOM 0 H ILE A 90 -5.362 7.562 -2.125 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.923 7.000 -4.629 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.917 6.678 -1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.535 7.899 -4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.585 8.835 -3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.002 5.449 -2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.533 4.577 -2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.783 5.468 -4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.240 9.108 -2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.154 8.303 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.087 7.351 -2.258 1.00 0.00 H new ATOM 1429 N TYR A 91 -4.893 4.720 -4.633 1.00 0.00 N ATOM 1430 CA TYR A 91 -5.506 3.398 -4.682 1.00 0.00 C ATOM 1431 C TYR A 91 -4.474 2.332 -5.038 1.00 0.00 C ATOM 1432 O TYR A 91 -3.848 2.386 -6.097 1.00 0.00 O ATOM 1433 CB TYR A 91 -6.647 3.379 -5.701 1.00 0.00 C ATOM 1434 CG TYR A 91 -7.857 4.177 -5.269 1.00 0.00 C ATOM 1435 CD1 TYR A 91 -8.761 3.661 -4.349 1.00 0.00 C ATOM 1436 CD2 TYR A 91 -8.096 5.446 -5.782 1.00 0.00 C ATOM 1437 CE1 TYR A 91 -9.869 4.385 -3.953 1.00 0.00 C ATOM 1438 CE2 TYR A 91 -9.200 6.178 -5.390 1.00 0.00 C ATOM 1439 CZ TYR A 91 -10.083 5.644 -4.475 1.00 0.00 C ATOM 1440 OH TYR A 91 -11.185 6.369 -4.083 1.00 0.00 O ATOM 0 H TYR A 91 -4.596 5.081 -5.540 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.907 3.175 -3.693 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.282 3.772 -6.650 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -6.947 2.346 -5.879 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.595 2.677 -3.936 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.407 5.867 -6.499 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -10.564 3.968 -3.239 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.371 7.163 -5.798 1.00 0.00 H new ATOM 0 HH TYR A 91 -11.188 7.235 -4.543 1.00 0.00 H new ATOM 1450 N LEU A 92 -4.302 1.364 -4.145 1.00 0.00 N ATOM 1451 CA LEU A 92 -3.347 0.283 -4.363 1.00 0.00 C ATOM 1452 C LEU A 92 -4.064 -1.054 -4.521 1.00 0.00 C ATOM 1453 O LEU A 92 -4.687 -1.551 -3.583 1.00 0.00 O ATOM 1454 CB LEU A 92 -2.357 0.209 -3.200 1.00 0.00 C ATOM 1455 CG LEU A 92 -1.588 1.494 -2.889 1.00 0.00 C ATOM 1456 CD1 LEU A 92 -0.970 1.424 -1.502 1.00 0.00 C ATOM 1457 CD2 LEU A 92 -0.517 1.742 -3.941 1.00 0.00 C ATOM 0 H LEU A 92 -4.811 1.305 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.802 0.493 -5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.901 -0.090 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.635 -0.580 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.289 2.328 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.427 2.347 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.757 1.295 -0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.282 0.580 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.020 2.660 -3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.182 0.906 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.985 1.838 -4.921 1.00 0.00 H new ATOM 1469 N ARG A 93 -3.970 -1.633 -5.714 1.00 0.00 N ATOM 1470 CA ARG A 93 -4.609 -2.913 -5.995 1.00 0.00 C ATOM 1471 C ARG A 93 -3.566 -4.007 -6.203 1.00 0.00 C ATOM 1472 O ARG A 93 -2.687 -3.886 -7.058 1.00 0.00 O ATOM 1473 CB ARG A 93 -5.501 -2.801 -7.233 1.00 0.00 C ATOM 1474 CG ARG A 93 -6.247 -4.083 -7.564 1.00 0.00 C ATOM 1475 CD ARG A 93 -5.428 -4.985 -8.474 1.00 0.00 C ATOM 1476 NE ARG A 93 -6.181 -6.163 -8.898 1.00 0.00 N ATOM 1477 CZ ARG A 93 -5.733 -7.039 -9.790 1.00 0.00 C ATOM 1478 NH1 ARG A 93 -4.542 -6.872 -10.348 1.00 0.00 N ATOM 1479 NH2 ARG A 93 -6.477 -8.086 -10.124 1.00 0.00 N ATOM 0 H ARG A 93 -3.457 -1.236 -6.501 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.224 -3.180 -5.136 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.224 -2.000 -7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.888 -2.517 -8.088 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -6.486 -4.614 -6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.194 -3.840 -8.047 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -5.110 -4.422 -9.352 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -4.524 -5.301 -7.953 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.101 -6.321 -8.487 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.967 -6.069 -10.092 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.201 -7.546 -11.033 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -7.393 -8.218 -9.696 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -6.133 -8.759 -10.809 1.00 0.00 H new ATOM 1493 N CYS A 94 -3.669 -5.072 -5.417 1.00 0.00 N ATOM 1494 CA CYS A 94 -2.734 -6.187 -5.514 1.00 0.00 C ATOM 1495 C CYS A 94 -3.292 -7.289 -6.409 1.00 0.00 C ATOM 1496 O CYS A 94 -4.459 -7.253 -6.797 1.00 0.00 O ATOM 1497 CB CYS A 94 -2.430 -6.748 -4.124 1.00 0.00 C ATOM 1498 SG CYS A 94 -1.735 -5.536 -2.975 1.00 0.00 S ATOM 0 H CYS A 94 -4.391 -5.187 -4.705 1.00 0.00 H new ATOM 0 HA CYS A 94 -1.810 -5.816 -5.958 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.348 -7.152 -3.698 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.733 -7.580 -4.224 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.800 -6.096 -2.266 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.450 -8.265 -6.733 1.00 0.00 N ATOM 1505 CA GLN A 95 -2.860 -9.376 -7.584 1.00 0.00 C ATOM 1506 C GLN A 95 -3.616 -10.428 -6.779 1.00 0.00 C ATOM 1507 O GLN A 95 -4.770 -10.738 -7.075 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.640 -10.009 -8.255 1.00 0.00 C ATOM 1509 CG GLN A 95 -1.990 -10.906 -9.431 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.764 -11.496 -10.100 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.272 -11.692 -9.462 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -0.874 -11.784 -11.391 1.00 0.00 N ATOM 0 H GLN A 95 -1.480 -8.309 -6.419 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.527 -8.985 -8.353 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.973 -9.218 -8.598 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.090 -10.591 -7.516 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.636 -11.714 -9.087 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.559 -10.333 -10.163 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.751 -11.605 -11.880 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.082 -12.184 -11.894 1.00 0.00 H new ATOM 1521 N ASP A 96 -2.958 -10.974 -5.763 1.00 0.00 N ATOM 1522 CA ASP A 96 -3.568 -11.991 -4.915 1.00 0.00 C ATOM 1523 C ASP A 96 -3.672 -11.506 -3.472 1.00 0.00 C ATOM 1524 O ASP A 96 -3.247 -10.397 -3.149 1.00 0.00 O ATOM 1525 CB ASP A 96 -2.758 -13.287 -4.973 1.00 0.00 C ATOM 1526 CG ASP A 96 -3.576 -14.500 -4.577 1.00 0.00 C ATOM 1527 OD1 ASP A 96 -4.821 -14.425 -4.648 1.00 0.00 O ATOM 1528 OD2 ASP A 96 -2.972 -15.525 -4.197 1.00 0.00 O ATOM 0 H ASP A 96 -2.002 -10.729 -5.506 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.574 -12.183 -5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -2.373 -13.426 -5.983 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -1.895 -13.203 -4.312 1.00 0.00 H new ATOM 1533 N GLU A 97 -4.241 -12.343 -2.610 1.00 0.00 N ATOM 1534 CA GLU A 97 -4.401 -11.997 -1.203 1.00 0.00 C ATOM 1535 C GLU A 97 -3.065 -12.065 -0.470 1.00 0.00 C ATOM 1536 O GLU A 97 -2.817 -11.299 0.461 1.00 0.00 O ATOM 1537 CB GLU A 97 -5.409 -12.936 -0.536 1.00 0.00 C ATOM 1538 CG GLU A 97 -5.066 -14.408 -0.692 1.00 0.00 C ATOM 1539 CD GLU A 97 -6.031 -15.313 0.049 1.00 0.00 C ATOM 1540 OE1 GLU A 97 -6.644 -14.850 1.033 1.00 0.00 O ATOM 1541 OE2 GLU A 97 -6.173 -16.486 -0.357 1.00 0.00 O ATOM 0 H GLU A 97 -4.598 -13.265 -2.861 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.774 -10.974 -1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.469 -12.696 0.526 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.397 -12.755 -0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.070 -14.668 -1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.055 -14.583 -0.324 1.00 0.00 H new ATOM 1548 N GLN A 98 -2.209 -12.989 -0.896 1.00 0.00 N ATOM 1549 CA GLN A 98 -0.898 -13.158 -0.280 1.00 0.00 C ATOM 1550 C GLN A 98 -0.179 -11.819 -0.155 1.00 0.00 C ATOM 1551 O GLN A 98 0.322 -11.471 0.914 1.00 0.00 O ATOM 1552 CB GLN A 98 -0.049 -14.132 -1.097 1.00 0.00 C ATOM 1553 CG GLN A 98 -0.301 -15.592 -0.756 1.00 0.00 C ATOM 1554 CD GLN A 98 0.528 -16.068 0.421 1.00 0.00 C ATOM 1555 OE1 GLN A 98 1.707 -15.734 0.540 1.00 0.00 O ATOM 1556 NE2 GLN A 98 -0.086 -16.852 1.299 1.00 0.00 N ATOM 0 H GLN A 98 -2.400 -13.632 -1.665 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.044 -13.566 0.720 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.250 -13.975 -2.157 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.005 -13.906 -0.935 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.358 -15.731 -0.531 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.077 -16.208 -1.627 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -1.065 -17.104 1.161 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.421 -17.203 2.112 1.00 0.00 H new ATOM 1565 N GLN A 99 -0.131 -11.073 -1.254 1.00 0.00 N ATOM 1566 CA GLN A 99 0.529 -9.773 -1.267 1.00 0.00 C ATOM 1567 C GLN A 99 -0.306 -8.732 -0.528 1.00 0.00 C ATOM 1568 O GLN A 99 0.216 -7.963 0.279 1.00 0.00 O ATOM 1569 CB GLN A 99 0.777 -9.318 -2.706 1.00 0.00 C ATOM 1570 CG GLN A 99 1.499 -7.984 -2.806 1.00 0.00 C ATOM 1571 CD GLN A 99 3.005 -8.125 -2.693 1.00 0.00 C ATOM 1572 OE1 GLN A 99 3.514 -8.722 -1.743 1.00 0.00 O ATOM 1573 NE2 GLN A 99 3.726 -7.577 -3.663 1.00 0.00 N ATOM 0 H GLN A 99 -0.541 -11.347 -2.147 1.00 0.00 H new ATOM 0 HA GLN A 99 1.486 -9.874 -0.756 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.363 -10.078 -3.223 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.179 -9.244 -3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.252 -7.512 -3.757 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.140 -7.321 -2.019 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.262 -7.092 -4.431 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.744 -7.641 -3.640 1.00 0.00 H new ATOM 1582 N TYR A 100 -1.604 -8.713 -0.810 1.00 0.00 N ATOM 1583 CA TYR A 100 -2.510 -7.765 -0.174 1.00 0.00 C ATOM 1584 C TYR A 100 -2.334 -7.774 1.341 1.00 0.00 C ATOM 1585 O TYR A 100 -2.253 -6.722 1.974 1.00 0.00 O ATOM 1586 CB TYR A 100 -3.961 -8.095 -0.532 1.00 0.00 C ATOM 1587 CG TYR A 100 -4.961 -7.622 0.499 1.00 0.00 C ATOM 1588 CD1 TYR A 100 -5.162 -6.268 0.731 1.00 0.00 C ATOM 1589 CD2 TYR A 100 -5.706 -8.532 1.239 1.00 0.00 C ATOM 1590 CE1 TYR A 100 -6.074 -5.832 1.673 1.00 0.00 C ATOM 1591 CE2 TYR A 100 -6.622 -8.105 2.182 1.00 0.00 C ATOM 1592 CZ TYR A 100 -6.802 -6.754 2.395 1.00 0.00 C ATOM 1593 OH TYR A 100 -7.713 -6.324 3.333 1.00 0.00 O ATOM 0 H TYR A 100 -2.052 -9.344 -1.475 1.00 0.00 H new ATOM 0 HA TYR A 100 -2.269 -6.768 -0.543 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -4.201 -7.642 -1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -4.060 -9.174 -0.654 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.596 -5.543 0.165 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -5.567 -9.590 1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -6.216 -4.775 1.843 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.194 -8.825 2.749 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.142 -7.099 3.752 1.00 0.00 H new ATOM 1603 N ALA A 101 -2.275 -8.970 1.916 1.00 0.00 N ATOM 1604 CA ALA A 101 -2.105 -9.119 3.356 1.00 0.00 C ATOM 1605 C ALA A 101 -0.805 -8.474 3.825 1.00 0.00 C ATOM 1606 O ALA A 101 -0.793 -7.709 4.790 1.00 0.00 O ATOM 1607 CB ALA A 101 -2.136 -10.590 3.743 1.00 0.00 C ATOM 0 H ALA A 101 -2.342 -9.851 1.406 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.932 -8.608 3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.008 -10.685 4.821 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.093 -11.023 3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.329 -11.117 3.234 1.00 0.00 H new ATOM 1613 N ARG A 102 0.288 -8.788 3.136 1.00 0.00 N ATOM 1614 CA ARG A 102 1.594 -8.240 3.484 1.00 0.00 C ATOM 1615 C ARG A 102 1.532 -6.720 3.599 1.00 0.00 C ATOM 1616 O ARG A 102 1.704 -6.162 4.683 1.00 0.00 O ATOM 1617 CB ARG A 102 2.634 -8.642 2.437 1.00 0.00 C ATOM 1618 CG ARG A 102 3.079 -10.091 2.546 1.00 0.00 C ATOM 1619 CD ARG A 102 3.710 -10.579 1.251 1.00 0.00 C ATOM 1620 NE ARG A 102 4.292 -11.911 1.393 1.00 0.00 N ATOM 1621 CZ ARG A 102 5.513 -12.133 1.867 1.00 0.00 C ATOM 1622 NH1 ARG A 102 6.277 -11.116 2.243 1.00 0.00 N ATOM 1623 NH2 ARG A 102 5.972 -13.374 1.966 1.00 0.00 N ATOM 0 H ARG A 102 0.295 -9.418 2.334 1.00 0.00 H new ATOM 0 HA ARG A 102 1.886 -8.648 4.451 1.00 0.00 H new ATOM 0 HB2 ARG A 102 2.221 -8.471 1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.505 -7.995 2.536 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.795 -10.193 3.362 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.223 -10.718 2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 102 2.956 -10.595 0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.483 -9.877 0.938 1.00 0.00 H new ATOM 0 HE ARG A 102 3.730 -12.715 1.113 1.00 0.00 H new ATOM 0 HH11 ARG A 102 5.927 -10.161 2.169 1.00 0.00 H new ATOM 0 HH12 ARG A 102 7.214 -11.289 2.607 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.387 -14.159 1.678 1.00 0.00 H new ATOM 0 HH22 ARG A 102 6.910 -13.543 2.330 1.00 0.00 H new ATOM 1637 N TRP A 103 1.288 -6.057 2.475 1.00 0.00 N ATOM 1638 CA TRP A 103 1.205 -4.601 2.449 1.00 0.00 C ATOM 1639 C TRP A 103 0.128 -4.100 3.404 1.00 0.00 C ATOM 1640 O TRP A 103 0.354 -3.168 4.175 1.00 0.00 O ATOM 1641 CB TRP A 103 0.913 -4.111 1.030 1.00 0.00 C ATOM 1642 CG TRP A 103 2.119 -4.115 0.140 1.00 0.00 C ATOM 1643 CD1 TRP A 103 2.657 -5.190 -0.508 1.00 0.00 C ATOM 1644 CD2 TRP A 103 2.939 -2.990 -0.198 1.00 0.00 C ATOM 1645 NE1 TRP A 103 3.761 -4.802 -1.228 1.00 0.00 N ATOM 1646 CE2 TRP A 103 3.954 -3.457 -1.055 1.00 0.00 C ATOM 1647 CE3 TRP A 103 2.912 -1.634 0.138 1.00 0.00 C ATOM 1648 CZ2 TRP A 103 4.932 -2.616 -1.578 1.00 0.00 C ATOM 1649 CZ3 TRP A 103 3.884 -0.800 -0.380 1.00 0.00 C ATOM 1650 CH2 TRP A 103 4.882 -1.292 -1.231 1.00 0.00 C ATOM 0 H TRP A 103 1.144 -6.504 1.569 1.00 0.00 H new ATOM 0 HA TRP A 103 2.166 -4.202 2.773 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.142 -4.741 0.587 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.509 -3.100 1.078 1.00 0.00 H new ATOM 0 HD1 TRP A 103 2.271 -6.198 -0.461 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.342 -5.416 -1.799 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.145 -1.245 0.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 5.702 -2.994 -2.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 3.874 0.249 -0.124 1.00 0.00 H new ATOM 0 HH2 TRP A 103 5.627 -0.614 -1.621 1.00 0.00 H new ATOM 1661 N MET A 104 -1.044 -4.725 3.349 1.00 0.00 N ATOM 1662 CA MET A 104 -2.156 -4.342 4.211 1.00 0.00 C ATOM 1663 C MET A 104 -1.688 -4.160 5.652 1.00 0.00 C ATOM 1664 O MET A 104 -1.633 -3.041 6.159 1.00 0.00 O ATOM 1665 CB MET A 104 -3.262 -5.397 4.151 1.00 0.00 C ATOM 1666 CG MET A 104 -4.400 -5.140 5.126 1.00 0.00 C ATOM 1667 SD MET A 104 -4.862 -3.400 5.211 1.00 0.00 S ATOM 1668 CE MET A 104 -6.264 -3.366 4.096 1.00 0.00 C ATOM 0 H MET A 104 -1.248 -5.499 2.716 1.00 0.00 H new ATOM 0 HA MET A 104 -2.551 -3.391 3.853 1.00 0.00 H new ATOM 0 HB2 MET A 104 -3.663 -5.434 3.138 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.831 -6.376 4.359 1.00 0.00 H new ATOM 0 HG2 MET A 104 -5.268 -5.728 4.828 1.00 0.00 H new ATOM 0 HG3 MET A 104 -4.107 -5.483 6.118 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.821 -2.440 4.240 1.00 0.00 H new ATOM 0 HE2 MET A 104 -5.911 -3.421 3.066 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.914 -4.216 4.303 1.00 0.00 H new ATOM 1678 N ALA A 105 -1.353 -5.268 6.305 1.00 0.00 N ATOM 1679 CA ALA A 105 -0.888 -5.230 7.686 1.00 0.00 C ATOM 1680 C ALA A 105 0.133 -4.116 7.891 1.00 0.00 C ATOM 1681 O ALA A 105 0.163 -3.474 8.941 1.00 0.00 O ATOM 1682 CB ALA A 105 -0.293 -6.573 8.080 1.00 0.00 C ATOM 0 H ALA A 105 -1.395 -6.203 5.900 1.00 0.00 H new ATOM 0 HA ALA A 105 -1.746 -5.023 8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 105 0.050 -6.530 9.114 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.051 -7.350 7.981 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.549 -6.803 7.428 1.00 0.00 H new ATOM 1688 N GLY A 106 0.968 -3.892 6.882 1.00 0.00 N ATOM 1689 CA GLY A 106 1.980 -2.855 6.972 1.00 0.00 C ATOM 1690 C GLY A 106 1.380 -1.468 7.088 1.00 0.00 C ATOM 1691 O GLY A 106 1.793 -0.674 7.935 1.00 0.00 O ATOM 0 H GLY A 106 0.962 -4.410 6.003 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.616 -3.046 7.837 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.620 -2.898 6.090 1.00 0.00 H new ATOM 1695 N CYS A 107 0.404 -1.174 6.236 1.00 0.00 N ATOM 1696 CA CYS A 107 -0.252 0.129 6.245 1.00 0.00 C ATOM 1697 C CYS A 107 -0.964 0.370 7.572 1.00 0.00 C ATOM 1698 O CYS A 107 -0.838 1.438 8.171 1.00 0.00 O ATOM 1699 CB CYS A 107 -1.251 0.228 5.091 1.00 0.00 C ATOM 1700 SG CYS A 107 -0.503 0.074 3.452 1.00 0.00 S ATOM 0 H CYS A 107 0.050 -1.820 5.531 1.00 0.00 H new ATOM 0 HA CYS A 107 0.514 0.895 6.120 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -2.005 -0.551 5.209 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -1.769 1.185 5.154 1.00 0.00 H new ATOM 0 HG CYS A 107 -0.030 -1.128 3.302 1.00 0.00 H new ATOM 1706 N ARG A 108 -1.713 -0.630 8.026 1.00 0.00 N ATOM 1707 CA ARG A 108 -2.448 -0.526 9.281 1.00 0.00 C ATOM 1708 C ARG A 108 -1.494 -0.316 10.454 1.00 0.00 C ATOM 1709 O ARG A 108 -1.651 0.623 11.235 1.00 0.00 O ATOM 1710 CB ARG A 108 -3.287 -1.784 9.511 1.00 0.00 C ATOM 1711 CG ARG A 108 -4.536 -1.849 8.647 1.00 0.00 C ATOM 1712 CD ARG A 108 -4.966 -3.287 8.397 1.00 0.00 C ATOM 1713 NE ARG A 108 -5.368 -3.959 9.629 1.00 0.00 N ATOM 1714 CZ ARG A 108 -6.559 -3.803 10.197 1.00 0.00 C ATOM 1715 NH1 ARG A 108 -7.460 -3.002 9.645 1.00 0.00 N ATOM 1716 NH2 ARG A 108 -6.851 -4.450 11.318 1.00 0.00 N ATOM 0 H ARG A 108 -1.827 -1.521 7.543 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.110 0.337 9.215 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.672 -2.662 9.313 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.578 -1.829 10.560 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.346 -1.305 9.134 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.347 -1.354 7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.795 -3.300 7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.145 -3.836 7.936 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.698 -4.583 10.079 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.239 -2.504 8.783 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.374 -2.884 10.083 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.161 -5.068 11.745 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.766 -4.329 11.753 1.00 0.00 H new ATOM 1730 N LEU A 109 -0.506 -1.197 10.570 1.00 0.00 N ATOM 1731 CA LEU A 109 0.473 -1.109 11.648 1.00 0.00 C ATOM 1732 C LEU A 109 1.013 0.312 11.779 1.00 0.00 C ATOM 1733 O LEU A 109 1.275 0.787 12.884 1.00 0.00 O ATOM 1734 CB LEU A 109 1.626 -2.083 11.396 1.00 0.00 C ATOM 1735 CG LEU A 109 1.296 -3.568 11.553 1.00 0.00 C ATOM 1736 CD1 LEU A 109 2.253 -4.417 10.731 1.00 0.00 C ATOM 1737 CD2 LEU A 109 1.345 -3.974 13.019 1.00 0.00 C ATOM 0 H LEU A 109 -0.362 -1.979 9.932 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.024 -1.376 12.580 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.999 -1.919 10.385 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.439 -1.838 12.080 1.00 0.00 H new ATOM 0 HG LEU A 109 0.284 -3.736 11.184 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.003 -5.471 10.855 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.168 -4.145 9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.275 -4.244 11.069 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.108 -5.034 13.111 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.344 -3.790 13.414 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.619 -3.389 13.583 1.00 0.00 H new ATOM 1749 N ALA A 110 1.174 0.985 10.645 1.00 0.00 N ATOM 1750 CA ALA A 110 1.678 2.353 10.634 1.00 0.00 C ATOM 1751 C ALA A 110 0.575 3.347 10.982 1.00 0.00 C ATOM 1752 O ALA A 110 0.801 4.306 11.720 1.00 0.00 O ATOM 1753 CB ALA A 110 2.279 2.683 9.275 1.00 0.00 C ATOM 0 H ALA A 110 0.963 0.606 9.722 1.00 0.00 H new ATOM 0 HA ALA A 110 2.456 2.434 11.393 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.651 3.707 9.281 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.101 1.999 9.065 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.515 2.579 8.504 1.00 0.00 H new ATOM 1759 N SER A 111 -0.618 3.112 10.446 1.00 0.00 N ATOM 1760 CA SER A 111 -1.755 3.989 10.697 1.00 0.00 C ATOM 1761 C SER A 111 -1.830 4.374 12.171 1.00 0.00 C ATOM 1762 O SER A 111 -2.096 5.527 12.512 1.00 0.00 O ATOM 1763 CB SER A 111 -3.057 3.308 10.269 1.00 0.00 C ATOM 1764 OG SER A 111 -4.181 3.943 10.853 1.00 0.00 O ATOM 0 H SER A 111 -0.822 2.321 9.835 1.00 0.00 H new ATOM 0 HA SER A 111 -1.618 4.897 10.109 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.144 3.334 9.183 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.035 2.258 10.562 1.00 0.00 H new ATOM 0 HG SER A 111 -5.000 3.490 10.563 1.00 0.00 H new ATOM 1770 N LYS A 112 -1.592 3.400 13.043 1.00 0.00 N ATOM 1771 CA LYS A 112 -1.631 3.633 14.482 1.00 0.00 C ATOM 1772 C LYS A 112 -0.244 3.980 15.014 1.00 0.00 C ATOM 1773 O LYS A 112 -0.111 4.632 16.048 1.00 0.00 O ATOM 1774 CB LYS A 112 -2.172 2.398 15.205 1.00 0.00 C ATOM 1775 CG LYS A 112 -3.638 2.120 14.922 1.00 0.00 C ATOM 1776 CD LYS A 112 -4.535 3.180 15.539 1.00 0.00 C ATOM 1777 CE LYS A 112 -6.005 2.814 15.400 1.00 0.00 C ATOM 1778 NZ LYS A 112 -6.420 2.714 13.973 1.00 0.00 N ATOM 0 H LYS A 112 -1.370 2.440 12.778 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.295 4.476 14.671 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.583 1.529 14.912 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.036 2.528 16.279 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.802 2.086 13.845 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.906 1.140 15.317 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.287 3.300 16.594 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.351 4.140 15.057 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.191 1.863 15.900 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.615 3.564 15.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.450 2.581 13.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.158 3.587 13.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -5.943 1.904 13.529 1.00 0.00 H new ATOM 1792 N GLY A 113 0.787 3.541 14.298 1.00 0.00 N ATOM 1793 CA GLY A 113 2.150 3.816 14.713 1.00 0.00 C ATOM 1794 C GLY A 113 3.023 2.577 14.696 1.00 0.00 C ATOM 1795 O GLY A 113 4.225 2.660 14.443 1.00 0.00 O ATOM 0 H GLY A 113 0.702 3.000 13.438 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.582 4.570 14.055 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.142 4.237 15.718 1.00 0.00 H new ATOM 1799 N ARG A 114 2.418 1.426 14.969 1.00 0.00 N ATOM 1800 CA ARG A 114 3.149 0.164 14.987 1.00 0.00 C ATOM 1801 C ARG A 114 4.006 0.015 13.734 1.00 0.00 C ATOM 1802 O ARG A 114 3.717 0.610 12.695 1.00 0.00 O ATOM 1803 CB ARG A 114 2.177 -1.012 15.096 1.00 0.00 C ATOM 1804 CG ARG A 114 1.469 -1.094 16.439 1.00 0.00 C ATOM 1805 CD ARG A 114 0.491 -2.258 16.483 1.00 0.00 C ATOM 1806 NE ARG A 114 -0.543 -2.066 17.496 1.00 0.00 N ATOM 1807 CZ ARG A 114 -1.533 -1.188 17.379 1.00 0.00 C ATOM 1808 NH1 ARG A 114 -1.624 -0.426 16.298 1.00 0.00 N ATOM 1809 NH2 ARG A 114 -2.436 -1.072 18.345 1.00 0.00 N ATOM 0 H ARG A 114 1.424 1.341 15.181 1.00 0.00 H new ATOM 0 HA ARG A 114 3.805 0.165 15.857 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.431 -0.930 14.306 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.722 -1.940 14.925 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.206 -1.207 17.234 1.00 0.00 H new ATOM 0 HG3 ARG A 114 0.936 -0.162 16.628 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.023 -2.376 15.505 1.00 0.00 H new ATOM 0 HD3 ARG A 114 1.034 -3.180 16.690 1.00 0.00 H new ATOM 0 HE ARG A 114 -0.503 -2.638 18.340 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -0.933 -0.513 15.553 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -2.385 0.247 16.211 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -2.370 -1.657 19.178 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -3.196 -0.398 18.254 1.00 0.00 H new ATOM 1823 N THR A 115 5.064 -0.784 13.838 1.00 0.00 N ATOM 1824 CA THR A 115 5.964 -1.011 12.714 1.00 0.00 C ATOM 1825 C THR A 115 6.020 -2.489 12.344 1.00 0.00 C ATOM 1826 O THR A 115 5.747 -3.356 13.173 1.00 0.00 O ATOM 1827 CB THR A 115 7.389 -0.518 13.028 1.00 0.00 C ATOM 1828 OG1 THR A 115 7.905 -1.206 14.173 1.00 0.00 O ATOM 1829 CG2 THR A 115 7.398 0.982 13.285 1.00 0.00 C ATOM 0 H THR A 115 5.318 -1.285 14.690 1.00 0.00 H new ATOM 0 HA THR A 115 5.568 -0.443 11.872 1.00 0.00 H new ATOM 0 HB THR A 115 8.020 -0.727 12.164 1.00 0.00 H new ATOM 0 HG1 THR A 115 8.812 -0.888 14.365 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.415 1.307 13.505 1.00 0.00 H new ATOM 0 HG22 THR A 115 7.033 1.505 12.401 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.753 1.210 14.134 1.00 0.00 H new ATOM 1837 N MET A 116 6.376 -2.768 11.095 1.00 0.00 N ATOM 1838 CA MET A 116 6.470 -4.142 10.616 1.00 0.00 C ATOM 1839 C MET A 116 7.413 -4.960 11.492 1.00 0.00 C ATOM 1840 O MET A 116 7.157 -6.130 11.773 1.00 0.00 O ATOM 1841 CB MET A 116 6.953 -4.168 9.165 1.00 0.00 C ATOM 1842 CG MET A 116 6.428 -5.353 8.370 1.00 0.00 C ATOM 1843 SD MET A 116 7.498 -5.790 6.986 1.00 0.00 S ATOM 1844 CE MET A 116 7.834 -4.172 6.295 1.00 0.00 C ATOM 0 H MET A 116 6.604 -2.061 10.396 1.00 0.00 H new ATOM 0 HA MET A 116 5.476 -4.586 10.668 1.00 0.00 H new ATOM 0 HB2 MET A 116 6.646 -3.246 8.672 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.043 -4.188 9.154 1.00 0.00 H new ATOM 0 HG2 MET A 116 6.327 -6.213 9.032 1.00 0.00 H new ATOM 0 HG3 MET A 116 5.431 -5.121 7.994 1.00 0.00 H new ATOM 0 HE1 MET A 116 8.679 -4.237 5.610 1.00 0.00 H new ATOM 0 HE2 MET A 116 6.956 -3.817 5.755 1.00 0.00 H new ATOM 0 HE3 MET A 116 8.072 -3.475 7.099 1.00 0.00 H new ATOM 1854 N ALA A 117 8.506 -4.336 11.921 1.00 0.00 N ATOM 1855 CA ALA A 117 9.486 -5.006 12.767 1.00 0.00 C ATOM 1856 C ALA A 117 8.802 -5.850 13.837 1.00 0.00 C ATOM 1857 O ALA A 117 9.196 -6.989 14.088 1.00 0.00 O ATOM 1858 CB ALA A 117 10.413 -3.985 13.410 1.00 0.00 C ATOM 0 H ALA A 117 8.735 -3.368 11.696 1.00 0.00 H new ATOM 0 HA ALA A 117 10.077 -5.673 12.139 1.00 0.00 H new ATOM 0 HB1 ALA A 117 11.140 -4.499 14.039 1.00 0.00 H new ATOM 0 HB2 ALA A 117 10.936 -3.428 12.633 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.828 -3.296 14.020 1.00 0.00 H new ATOM 1864 N ASP A 118 7.777 -5.284 14.465 1.00 0.00 N ATOM 1865 CA ASP A 118 7.039 -5.986 15.508 1.00 0.00 C ATOM 1866 C ASP A 118 6.516 -7.325 14.998 1.00 0.00 C ATOM 1867 O ASP A 118 6.044 -7.427 13.865 1.00 0.00 O ATOM 1868 CB ASP A 118 5.875 -5.126 16.005 1.00 0.00 C ATOM 1869 CG ASP A 118 5.365 -5.570 17.361 1.00 0.00 C ATOM 1870 OD1 ASP A 118 4.473 -6.443 17.402 1.00 0.00 O ATOM 1871 OD2 ASP A 118 5.856 -5.045 18.382 1.00 0.00 O ATOM 0 H ASP A 118 7.439 -4.342 14.270 1.00 0.00 H new ATOM 0 HA ASP A 118 7.722 -6.175 16.336 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.195 -4.086 16.063 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.061 -5.169 15.282 1.00 0.00 H new ATOM 1876 N SER A 119 6.605 -8.349 15.840 1.00 0.00 N ATOM 1877 CA SER A 119 6.145 -9.683 15.472 1.00 0.00 C ATOM 1878 C SER A 119 4.665 -9.666 15.103 1.00 0.00 C ATOM 1879 O SER A 119 4.203 -10.482 14.306 1.00 0.00 O ATOM 1880 CB SER A 119 6.384 -10.663 16.623 1.00 0.00 C ATOM 1881 OG SER A 119 7.737 -11.083 16.662 1.00 0.00 O ATOM 0 H SER A 119 6.991 -8.281 16.782 1.00 0.00 H new ATOM 0 HA SER A 119 6.714 -10.009 14.602 1.00 0.00 H new ATOM 0 HB2 SER A 119 6.119 -10.190 17.569 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.734 -11.530 16.507 1.00 0.00 H new ATOM 0 HG SER A 119 7.864 -11.707 17.407 1.00 0.00 H new ATOM 1887 N SER A 120 3.926 -8.729 15.690 1.00 0.00 N ATOM 1888 CA SER A 120 2.498 -8.606 15.427 1.00 0.00 C ATOM 1889 C SER A 120 2.234 -8.411 13.937 1.00 0.00 C ATOM 1890 O SER A 120 1.134 -8.672 13.450 1.00 0.00 O ATOM 1891 CB SER A 120 1.911 -7.436 16.217 1.00 0.00 C ATOM 1892 OG SER A 120 1.846 -7.736 17.601 1.00 0.00 O ATOM 0 H SER A 120 4.294 -8.044 16.351 1.00 0.00 H new ATOM 0 HA SER A 120 2.015 -9.530 15.746 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.522 -6.546 16.063 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.913 -7.206 15.844 1.00 0.00 H new ATOM 0 HG SER A 120 2.667 -7.431 18.041 1.00 0.00 H new ATOM 1898 N TYR A 121 3.252 -7.951 13.218 1.00 0.00 N ATOM 1899 CA TYR A 121 3.131 -7.718 11.784 1.00 0.00 C ATOM 1900 C TYR A 121 2.544 -8.938 11.081 1.00 0.00 C ATOM 1901 O TYR A 121 1.628 -8.820 10.266 1.00 0.00 O ATOM 1902 CB TYR A 121 4.497 -7.379 11.184 1.00 0.00 C ATOM 1903 CG TYR A 121 4.613 -7.712 9.714 1.00 0.00 C ATOM 1904 CD1 TYR A 121 4.007 -6.915 8.751 1.00 0.00 C ATOM 1905 CD2 TYR A 121 5.329 -8.824 9.288 1.00 0.00 C ATOM 1906 CE1 TYR A 121 4.109 -7.217 7.407 1.00 0.00 C ATOM 1907 CE2 TYR A 121 5.438 -9.133 7.946 1.00 0.00 C ATOM 1908 CZ TYR A 121 4.826 -8.327 7.009 1.00 0.00 C ATOM 1909 OH TYR A 121 4.932 -8.630 5.671 1.00 0.00 O ATOM 0 H TYR A 121 4.170 -7.732 13.605 1.00 0.00 H new ATOM 0 HA TYR A 121 2.456 -6.875 11.635 1.00 0.00 H new ATOM 0 HB2 TYR A 121 4.692 -6.316 11.323 1.00 0.00 H new ATOM 0 HB3 TYR A 121 5.269 -7.919 11.732 1.00 0.00 H new ATOM 0 HD1 TYR A 121 3.447 -6.044 9.058 1.00 0.00 H new ATOM 0 HD2 TYR A 121 5.809 -9.458 10.019 1.00 0.00 H new ATOM 0 HE1 TYR A 121 3.630 -6.588 6.671 1.00 0.00 H new ATOM 0 HE2 TYR A 121 5.999 -10.001 7.632 1.00 0.00 H new ATOM 0 HH TYR A 121 5.471 -9.441 5.561 1.00 0.00 H new ATOM 1919 N THR A 122 3.077 -10.112 11.404 1.00 0.00 N ATOM 1920 CA THR A 122 2.607 -11.355 10.805 1.00 0.00 C ATOM 1921 C THR A 122 1.225 -11.730 11.328 1.00 0.00 C ATOM 1922 O THR A 122 0.387 -12.241 10.585 1.00 0.00 O ATOM 1923 CB THR A 122 3.581 -12.516 11.082 1.00 0.00 C ATOM 1924 OG1 THR A 122 3.381 -13.562 10.126 1.00 0.00 O ATOM 1925 CG2 THR A 122 3.385 -13.062 12.488 1.00 0.00 C ATOM 0 H THR A 122 3.835 -10.228 12.077 1.00 0.00 H new ATOM 0 HA THR A 122 2.552 -11.186 9.730 1.00 0.00 H new ATOM 0 HB THR A 122 4.599 -12.136 10.995 1.00 0.00 H new ATOM 0 HG1 THR A 122 4.005 -14.295 10.308 1.00 0.00 H new ATOM 0 HG21 THR A 122 4.083 -13.881 12.661 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.567 -12.270 13.215 1.00 0.00 H new ATOM 0 HG23 THR A 122 2.364 -13.427 12.598 1.00 0.00 H new ATOM 1933 N SER A 123 0.994 -11.473 12.612 1.00 0.00 N ATOM 1934 CA SER A 123 -0.286 -11.786 13.235 1.00 0.00 C ATOM 1935 C SER A 123 -1.443 -11.222 12.415 1.00 0.00 C ATOM 1936 O SER A 123 -2.490 -11.855 12.282 1.00 0.00 O ATOM 1937 CB SER A 123 -0.335 -11.228 14.659 1.00 0.00 C ATOM 1938 OG SER A 123 0.385 -12.055 15.556 1.00 0.00 O ATOM 0 H SER A 123 1.677 -11.049 13.240 1.00 0.00 H new ATOM 0 HA SER A 123 -0.387 -12.871 13.274 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.083 -10.221 14.673 1.00 0.00 H new ATOM 0 HB3 SER A 123 -1.372 -11.148 14.986 1.00 0.00 H new ATOM 0 HG SER A 123 0.340 -11.676 16.459 1.00 0.00 H new ATOM 1944 N GLU A 124 -1.244 -10.026 11.869 1.00 0.00 N ATOM 1945 CA GLU A 124 -2.271 -9.376 11.063 1.00 0.00 C ATOM 1946 C GLU A 124 -2.402 -10.051 9.700 1.00 0.00 C ATOM 1947 O GLU A 124 -3.497 -10.154 9.149 1.00 0.00 O ATOM 1948 CB GLU A 124 -1.943 -7.892 10.880 1.00 0.00 C ATOM 1949 CG GLU A 124 -2.489 -7.007 11.988 1.00 0.00 C ATOM 1950 CD GLU A 124 -2.300 -7.613 13.365 1.00 0.00 C ATOM 1951 OE1 GLU A 124 -1.139 -7.875 13.743 1.00 0.00 O ATOM 1952 OE2 GLU A 124 -3.313 -7.827 14.064 1.00 0.00 O ATOM 0 H GLU A 124 -0.383 -9.489 11.970 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.222 -9.469 11.588 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -0.861 -7.771 10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.346 -7.555 9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -1.993 -6.037 11.951 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.551 -6.829 11.816 1.00 0.00 H new ATOM 1959 N VAL A 125 -1.275 -10.508 9.163 1.00 0.00 N ATOM 1960 CA VAL A 125 -1.263 -11.174 7.865 1.00 0.00 C ATOM 1961 C VAL A 125 -2.084 -12.457 7.898 1.00 0.00 C ATOM 1962 O VAL A 125 -2.827 -12.754 6.963 1.00 0.00 O ATOM 1963 CB VAL A 125 0.173 -11.507 7.420 1.00 0.00 C ATOM 1964 CG1 VAL A 125 0.159 -12.313 6.130 1.00 0.00 C ATOM 1965 CG2 VAL A 125 0.988 -10.234 7.253 1.00 0.00 C ATOM 0 H VAL A 125 -0.359 -10.430 9.606 1.00 0.00 H new ATOM 0 HA VAL A 125 -1.706 -10.482 7.149 1.00 0.00 H new ATOM 0 HB VAL A 125 0.643 -12.113 8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.183 -12.539 5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.387 -13.243 6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.329 -11.735 5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.000 -10.489 6.938 1.00 0.00 H new ATOM 0 HG22 VAL A 125 0.522 -9.600 6.499 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.027 -9.700 8.202 1.00 0.00 H new ATOM 1975 N GLN A 126 -1.945 -13.215 8.982 1.00 0.00 N ATOM 1976 CA GLN A 126 -2.675 -14.468 9.136 1.00 0.00 C ATOM 1977 C GLN A 126 -4.177 -14.216 9.214 1.00 0.00 C ATOM 1978 O GLN A 126 -4.942 -14.700 8.380 1.00 0.00 O ATOM 1979 CB GLN A 126 -2.204 -15.206 10.390 1.00 0.00 C ATOM 1980 CG GLN A 126 -0.691 -15.306 10.504 1.00 0.00 C ATOM 1981 CD GLN A 126 -0.138 -16.556 9.848 1.00 0.00 C ATOM 1982 OE1 GLN A 126 -0.680 -17.650 10.014 1.00 0.00 O ATOM 1983 NE2 GLN A 126 0.947 -16.401 9.099 1.00 0.00 N ATOM 0 H GLN A 126 -1.334 -12.983 9.765 1.00 0.00 H new ATOM 0 HA GLN A 126 -2.474 -15.087 8.262 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.594 -14.695 11.270 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -2.627 -16.210 10.391 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -0.237 -14.428 10.045 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -0.408 -15.297 11.557 1.00 0.00 H new ATOM 0 HE21 GLN A 126 1.363 -15.476 8.989 1.00 0.00 H new ATOM 0 HE22 GLN A 126 1.365 -17.207 8.633 1.00 0.00 H new ATOM 1992 N ALA A 127 -4.594 -13.458 10.223 1.00 0.00 N ATOM 1993 CA ALA A 127 -6.004 -13.141 10.409 1.00 0.00 C ATOM 1994 C ALA A 127 -6.665 -12.777 9.084 1.00 0.00 C ATOM 1995 O ALA A 127 -7.793 -13.188 8.808 1.00 0.00 O ATOM 1996 CB ALA A 127 -6.163 -12.006 11.410 1.00 0.00 C ATOM 0 H ALA A 127 -3.975 -13.052 10.924 1.00 0.00 H new ATOM 0 HA ALA A 127 -6.501 -14.028 10.801 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -7.222 -11.780 11.539 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -5.736 -12.303 12.368 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -5.645 -11.120 11.041 1.00 0.00 H new ATOM 2002 N ILE A 128 -5.956 -12.004 8.268 1.00 0.00 N ATOM 2003 CA ILE A 128 -6.475 -11.585 6.971 1.00 0.00 C ATOM 2004 C ILE A 128 -6.829 -12.790 6.106 1.00 0.00 C ATOM 2005 O ILE A 128 -8.001 -13.038 5.818 1.00 0.00 O ATOM 2006 CB ILE A 128 -5.460 -10.706 6.217 1.00 0.00 C ATOM 2007 CG1 ILE A 128 -5.257 -9.379 6.951 1.00 0.00 C ATOM 2008 CG2 ILE A 128 -5.929 -10.461 4.790 1.00 0.00 C ATOM 2009 CD1 ILE A 128 -3.934 -8.714 6.643 1.00 0.00 C ATOM 0 H ILE A 128 -5.022 -11.655 8.481 1.00 0.00 H new ATOM 0 HA ILE A 128 -7.376 -11.002 7.164 1.00 0.00 H new ATOM 0 HB ILE A 128 -4.505 -11.230 6.181 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.067 -8.699 6.686 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -5.326 -9.553 8.025 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -5.201 -9.838 4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -6.028 -11.414 4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -6.894 -9.955 4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -3.859 -7.779 7.198 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -3.118 -9.375 6.934 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -3.870 -8.508 5.575 1.00 0.00 H new ATOM 2021 N LEU A 129 -5.810 -13.537 5.696 1.00 0.00 N ATOM 2022 CA LEU A 129 -6.013 -14.718 4.864 1.00 0.00 C ATOM 2023 C LEU A 129 -7.188 -15.547 5.373 1.00 0.00 C ATOM 2024 O LEU A 129 -7.954 -16.104 4.588 1.00 0.00 O ATOM 2025 CB LEU A 129 -4.744 -15.572 4.839 1.00 0.00 C ATOM 2026 CG LEU A 129 -3.716 -15.215 3.765 1.00 0.00 C ATOM 2027 CD1 LEU A 129 -3.507 -13.710 3.705 1.00 0.00 C ATOM 2028 CD2 LEU A 129 -2.398 -15.928 4.030 1.00 0.00 C ATOM 0 H LEU A 129 -4.835 -13.346 5.926 1.00 0.00 H new ATOM 0 HA LEU A 129 -6.239 -14.385 3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -4.262 -15.499 5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -5.034 -16.614 4.704 1.00 0.00 H new ATOM 0 HG LEU A 129 -4.098 -15.547 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -2.772 -13.475 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -4.451 -13.221 3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -3.147 -13.354 4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.678 -15.662 3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.011 -15.627 5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -2.559 -17.006 4.021 1.00 0.00 H new ATOM 2040 N ALA A 130 -7.324 -15.622 6.693 1.00 0.00 N ATOM 2041 CA ALA A 130 -8.408 -16.379 7.307 1.00 0.00 C ATOM 2042 C ALA A 130 -9.757 -15.717 7.046 1.00 0.00 C ATOM 2043 O ALA A 130 -10.683 -16.351 6.540 1.00 0.00 O ATOM 2044 CB ALA A 130 -8.170 -16.523 8.803 1.00 0.00 C ATOM 0 H ALA A 130 -6.697 -15.168 7.357 1.00 0.00 H new ATOM 0 HA ALA A 130 -8.426 -17.371 6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -8.987 -17.090 9.248 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.229 -17.047 8.973 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -8.123 -15.535 9.261 1.00 0.00 H new ATOM 2050 N PHE A 131 -9.861 -14.439 7.394 1.00 0.00 N ATOM 2051 CA PHE A 131 -11.098 -13.692 7.199 1.00 0.00 C ATOM 2052 C PHE A 131 -11.556 -13.769 5.745 1.00 0.00 C ATOM 2053 O PHE A 131 -12.728 -14.024 5.464 1.00 0.00 O ATOM 2054 CB PHE A 131 -10.905 -12.230 7.607 1.00 0.00 C ATOM 2055 CG PHE A 131 -12.030 -11.333 7.174 1.00 0.00 C ATOM 2056 CD1 PHE A 131 -13.300 -11.487 7.706 1.00 0.00 C ATOM 2057 CD2 PHE A 131 -11.817 -10.337 6.235 1.00 0.00 C ATOM 2058 CE1 PHE A 131 -14.337 -10.663 7.310 1.00 0.00 C ATOM 2059 CE2 PHE A 131 -12.849 -9.510 5.835 1.00 0.00 C ATOM 2060 CZ PHE A 131 -14.111 -9.674 6.372 1.00 0.00 C ATOM 0 H PHE A 131 -9.104 -13.899 7.812 1.00 0.00 H new ATOM 0 HA PHE A 131 -11.867 -14.140 7.829 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -10.803 -12.174 8.691 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -9.972 -11.862 7.180 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -13.482 -12.260 8.438 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -10.833 -10.205 5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -15.322 -10.792 7.733 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -12.669 -8.736 5.103 1.00 0.00 H new ATOM 0 HZ PHE A 131 -14.920 -9.030 6.059 1.00 0.00 H new ATOM 2070 N LEU A 132 -10.624 -13.547 4.825 1.00 0.00 N ATOM 2071 CA LEU A 132 -10.931 -13.590 3.399 1.00 0.00 C ATOM 2072 C LEU A 132 -11.633 -14.894 3.033 1.00 0.00 C ATOM 2073 O LEU A 132 -12.600 -14.897 2.272 1.00 0.00 O ATOM 2074 CB LEU A 132 -9.650 -13.439 2.577 1.00 0.00 C ATOM 2075 CG LEU A 132 -8.941 -12.089 2.681 1.00 0.00 C ATOM 2076 CD1 LEU A 132 -7.580 -12.146 2.004 1.00 0.00 C ATOM 2077 CD2 LEU A 132 -9.797 -10.989 2.070 1.00 0.00 C ATOM 0 H LEU A 132 -9.650 -13.335 5.040 1.00 0.00 H new ATOM 0 HA LEU A 132 -11.601 -12.761 3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -8.952 -14.218 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -9.891 -13.621 1.530 1.00 0.00 H new ATOM 0 HG LEU A 132 -8.789 -11.861 3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -7.091 -11.176 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -6.965 -12.906 2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -7.708 -12.397 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -9.277 -10.035 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -9.981 -11.212 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -10.748 -10.931 2.600 1.00 0.00 H new ATOM 2089 N SER A 133 -11.141 -16.000 3.583 1.00 0.00 N ATOM 2090 CA SER A 133 -11.720 -17.311 3.312 1.00 0.00 C ATOM 2091 C SER A 133 -13.170 -17.371 3.784 1.00 0.00 C ATOM 2092 O SER A 133 -14.021 -17.978 3.133 1.00 0.00 O ATOM 2093 CB SER A 133 -10.902 -18.405 4.001 1.00 0.00 C ATOM 2094 OG SER A 133 -10.963 -19.620 3.275 1.00 0.00 O ATOM 0 H SER A 133 -10.343 -16.014 4.219 1.00 0.00 H new ATOM 0 HA SER A 133 -11.699 -17.476 2.235 1.00 0.00 H new ATOM 0 HB2 SER A 133 -9.864 -18.084 4.093 1.00 0.00 H new ATOM 0 HB3 SER A 133 -11.278 -18.562 5.012 1.00 0.00 H new ATOM 0 HG SER A 133 -10.431 -20.303 3.735 1.00 0.00 H new ATOM 2100 N LEU A 134 -13.443 -16.739 4.920 1.00 0.00 N ATOM 2101 CA LEU A 134 -14.789 -16.720 5.480 1.00 0.00 C ATOM 2102 C LEU A 134 -15.776 -16.086 4.505 1.00 0.00 C ATOM 2103 O LEU A 134 -16.895 -16.571 4.337 1.00 0.00 O ATOM 2104 CB LEU A 134 -14.801 -15.954 6.804 1.00 0.00 C ATOM 2105 CG LEU A 134 -13.829 -16.451 7.875 1.00 0.00 C ATOM 2106 CD1 LEU A 134 -13.883 -15.554 9.102 1.00 0.00 C ATOM 2107 CD2 LEU A 134 -14.141 -17.892 8.252 1.00 0.00 C ATOM 0 H LEU A 134 -12.750 -16.233 5.471 1.00 0.00 H new ATOM 0 HA LEU A 134 -15.095 -17.751 5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -14.578 -14.907 6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -15.811 -15.991 7.213 1.00 0.00 H new ATOM 0 HG LEU A 134 -12.819 -16.414 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -13.185 -15.923 9.853 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -13.610 -14.537 8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -14.893 -15.558 9.512 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -13.439 -18.229 9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -15.157 -17.954 8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -14.050 -18.527 7.370 1.00 0.00 H new