USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 630 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 9 MET CE :methyl -172:sc= -1.5 (180deg=-2.03) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -160:sc= -0.0197 (180deg=-0.197) USER MOD Single : A 14 LYS NZ :NH3+ -122:sc= 1.73 (180deg=0.725) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.42) USER MOD Single : A 23 THR OG1 : rot -41:sc= 0.231 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 MET CE :methyl -131:sc= -5.87! (180deg=-7.51!) USER MOD Single : A 44 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.013) USER MOD Single : A 45 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.5) USER MOD Single : A 49 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -3.66! C(o=-3.7!,f=-5.9!) USER MOD Single : A 60 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.4!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.89! C(o=-2.9!,f=-2.6!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.164 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.528 -10.013 -9.559 1.00 0.00 N ATOM 60 CA GLY A 7 -1.520 -9.015 -8.505 1.00 0.00 C ATOM 61 C GLY A 7 -1.616 -7.602 -9.044 1.00 0.00 C ATOM 62 O GLY A 7 -2.516 -7.287 -9.824 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.354 -9.200 -7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.606 -9.116 -7.920 1.00 0.00 H new ATOM 66 N ARG A 8 -0.688 -6.747 -8.627 1.00 0.00 N ATOM 67 CA ARG A 8 -0.674 -5.358 -9.071 1.00 0.00 C ATOM 68 C ARG A 8 0.597 -4.652 -8.607 1.00 0.00 C ATOM 69 O ARG A 8 0.741 -4.322 -7.430 1.00 0.00 O ATOM 70 CB ARG A 8 -1.904 -4.619 -8.541 1.00 0.00 C ATOM 71 CG ARG A 8 -1.816 -3.108 -8.687 1.00 0.00 C ATOM 72 CD ARG A 8 -2.819 -2.402 -7.788 1.00 0.00 C ATOM 73 NE ARG A 8 -4.128 -2.273 -8.424 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.395 -1.393 -9.382 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.450 -0.569 -9.813 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.610 -1.335 -9.912 1.00 0.00 N ATOM 0 H ARG A 8 0.064 -6.991 -7.983 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.696 -5.350 -10.161 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.788 -4.976 -9.070 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.041 -4.867 -7.488 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.808 -2.776 -8.440 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.998 -2.830 -9.725 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.922 -2.956 -6.855 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.442 -1.412 -7.531 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.877 -2.892 -8.115 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.514 -0.610 -9.409 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.658 0.106 -10.549 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.340 -1.967 -9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.814 -0.659 -10.648 1.00 0.00 H new ATOM 90 N MET A 9 1.515 -4.423 -9.541 1.00 0.00 N ATOM 91 CA MET A 9 2.773 -3.756 -9.227 1.00 0.00 C ATOM 92 C MET A 9 2.582 -2.244 -9.152 1.00 0.00 C ATOM 93 O MET A 9 1.967 -1.642 -10.031 1.00 0.00 O ATOM 94 CB MET A 9 3.831 -4.096 -10.278 1.00 0.00 C ATOM 95 CG MET A 9 4.635 -5.344 -9.949 1.00 0.00 C ATOM 96 SD MET A 9 3.625 -6.838 -9.937 1.00 0.00 S ATOM 97 CE MET A 9 4.874 -8.088 -9.647 1.00 0.00 C ATOM 0 H MET A 9 1.411 -4.689 -10.520 1.00 0.00 H new ATOM 0 HA MET A 9 3.111 -4.111 -8.253 1.00 0.00 H new ATOM 0 HB2 MET A 9 3.342 -4.232 -11.243 1.00 0.00 H new ATOM 0 HB3 MET A 9 4.512 -3.252 -10.382 1.00 0.00 H new ATOM 0 HG2 MET A 9 5.437 -5.458 -10.679 1.00 0.00 H new ATOM 0 HG3 MET A 9 5.107 -5.221 -8.974 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.430 -9.078 -9.754 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.680 -7.972 -10.371 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.273 -7.977 -8.639 1.00 0.00 H new ATOM 107 N VAL A 10 3.113 -1.637 -8.095 1.00 0.00 N ATOM 108 CA VAL A 10 3.002 -0.196 -7.905 1.00 0.00 C ATOM 109 C VAL A 10 4.378 0.455 -7.820 1.00 0.00 C ATOM 110 O VAL A 10 5.171 0.141 -6.934 1.00 0.00 O ATOM 111 CB VAL A 10 2.206 0.143 -6.631 1.00 0.00 C ATOM 112 CG1 VAL A 10 2.204 1.644 -6.385 1.00 0.00 C ATOM 113 CG2 VAL A 10 0.785 -0.391 -6.733 1.00 0.00 C ATOM 0 H VAL A 10 3.624 -2.121 -7.357 1.00 0.00 H new ATOM 0 HA VAL A 10 2.470 0.197 -8.772 1.00 0.00 H new ATOM 0 HB VAL A 10 2.691 -0.339 -5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.637 1.864 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.229 1.994 -6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.745 2.151 -7.234 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.237 -0.143 -5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.288 0.060 -7.592 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.811 -1.474 -6.856 1.00 0.00 H new ATOM 123 N GLY A 11 4.655 1.366 -8.749 1.00 0.00 N ATOM 124 CA GLY A 11 5.936 2.047 -8.761 1.00 0.00 C ATOM 125 C GLY A 11 5.912 3.339 -7.968 1.00 0.00 C ATOM 126 O GLY A 11 5.203 4.281 -8.324 1.00 0.00 O ATOM 0 H GLY A 11 4.015 1.644 -9.493 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.699 1.386 -8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.221 2.262 -9.791 1.00 0.00 H new ATOM 130 N ILE A 12 6.688 3.384 -6.890 1.00 0.00 N ATOM 131 CA ILE A 12 6.752 4.569 -6.044 1.00 0.00 C ATOM 132 C ILE A 12 7.990 5.403 -6.360 1.00 0.00 C ATOM 133 O ILE A 12 9.082 4.865 -6.545 1.00 0.00 O ATOM 134 CB ILE A 12 6.766 4.195 -4.550 1.00 0.00 C ATOM 135 CG1 ILE A 12 5.560 3.317 -4.211 1.00 0.00 C ATOM 136 CG2 ILE A 12 6.773 5.450 -3.690 1.00 0.00 C ATOM 137 CD1 ILE A 12 5.812 1.840 -4.418 1.00 0.00 C ATOM 0 H ILE A 12 7.281 2.613 -6.582 1.00 0.00 H new ATOM 0 HA ILE A 12 5.858 5.156 -6.254 1.00 0.00 H new ATOM 0 HB ILE A 12 7.674 3.630 -4.340 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.277 3.487 -3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.714 3.623 -4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.783 5.169 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.660 6.041 -3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.881 6.040 -3.900 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.915 1.278 -4.158 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.065 1.657 -5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.638 1.519 -3.783 1.00 0.00 H new ATOM 149 N ARG A 13 7.812 6.718 -6.418 1.00 0.00 N ATOM 150 CA ARG A 13 8.914 7.626 -6.710 1.00 0.00 C ATOM 151 C ARG A 13 9.408 8.309 -5.438 1.00 0.00 C ATOM 152 O ARG A 13 9.535 9.533 -5.385 1.00 0.00 O ATOM 153 CB ARG A 13 8.479 8.680 -7.730 1.00 0.00 C ATOM 154 CG ARG A 13 7.335 9.558 -7.249 1.00 0.00 C ATOM 155 CD ARG A 13 6.520 10.098 -8.413 1.00 0.00 C ATOM 156 NE ARG A 13 7.129 11.286 -9.004 1.00 0.00 N ATOM 157 CZ ARG A 13 6.706 11.845 -10.132 1.00 0.00 C ATOM 158 NH1 ARG A 13 5.678 11.326 -10.788 1.00 0.00 N ATOM 159 NH2 ARG A 13 7.312 12.926 -10.606 1.00 0.00 N ATOM 0 H ARG A 13 6.915 7.179 -6.267 1.00 0.00 H new ATOM 0 HA ARG A 13 9.732 7.040 -7.129 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.333 9.312 -7.973 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.180 8.180 -8.651 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.688 8.984 -6.586 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.733 10.388 -6.666 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.420 9.325 -9.175 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.514 10.339 -8.070 1.00 0.00 H new ATOM 0 HE ARG A 13 7.923 11.710 -8.524 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.209 10.495 -10.427 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.355 11.758 -11.654 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.103 13.328 -10.104 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.986 13.355 -11.472 1.00 0.00 H new ATOM 173 N LYS A 14 9.685 7.510 -4.413 1.00 0.00 N ATOM 174 CA LYS A 14 10.166 8.035 -3.140 1.00 0.00 C ATOM 175 C LYS A 14 11.687 8.145 -3.137 1.00 0.00 C ATOM 176 O LYS A 14 12.354 7.710 -4.077 1.00 0.00 O ATOM 177 CB LYS A 14 9.707 7.138 -1.989 1.00 0.00 C ATOM 178 CG LYS A 14 10.525 5.866 -1.845 1.00 0.00 C ATOM 179 CD LYS A 14 10.366 5.254 -0.463 1.00 0.00 C ATOM 180 CE LYS A 14 11.101 6.065 0.593 1.00 0.00 C ATOM 181 NZ LYS A 14 12.496 5.585 0.790 1.00 0.00 N ATOM 0 H LYS A 14 9.585 6.495 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 14 9.747 9.032 -3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.760 7.701 -1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.661 6.872 -2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.214 5.145 -2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.577 6.086 -2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.308 5.197 -0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.747 4.233 -0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.116 7.115 0.299 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.560 6.006 1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.632 5.313 1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.669 4.761 0.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.162 6.345 0.544 1.00 0.00 H new ATOM 195 N THR A 15 12.232 8.728 -2.074 1.00 0.00 N ATOM 196 CA THR A 15 13.674 8.895 -1.948 1.00 0.00 C ATOM 197 C THR A 15 14.166 8.421 -0.585 1.00 0.00 C ATOM 198 O THR A 15 13.455 8.529 0.413 1.00 0.00 O ATOM 199 CB THR A 15 14.089 10.365 -2.148 1.00 0.00 C ATOM 200 OG1 THR A 15 15.485 10.522 -1.870 1.00 0.00 O ATOM 201 CG2 THR A 15 13.280 11.284 -1.245 1.00 0.00 C ATOM 0 H THR A 15 11.695 9.093 -1.287 1.00 0.00 H new ATOM 0 HA THR A 15 14.132 8.286 -2.728 1.00 0.00 H new ATOM 0 HB THR A 15 13.893 10.637 -3.185 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.741 11.459 -2.001 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.591 12.316 -1.404 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.220 11.184 -1.480 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.448 11.011 -0.203 1.00 0.00 H new ATOM 209 N ALA A 16 15.386 7.896 -0.552 1.00 0.00 N ATOM 210 CA ALA A 16 15.974 7.408 0.690 1.00 0.00 C ATOM 211 C ALA A 16 15.571 8.286 1.870 1.00 0.00 C ATOM 212 O ALA A 16 15.716 9.507 1.826 1.00 0.00 O ATOM 213 CB ALA A 16 17.490 7.347 0.568 1.00 0.00 C ATOM 0 H ALA A 16 15.987 7.798 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 16 15.595 6.403 0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.916 6.981 1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.763 6.673 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.879 8.344 0.358 1.00 0.00 H new ATOM 219 N GLY A 17 15.065 7.655 2.925 1.00 0.00 N ATOM 220 CA GLY A 17 14.648 8.395 4.102 1.00 0.00 C ATOM 221 C GLY A 17 13.161 8.686 4.107 1.00 0.00 C ATOM 222 O GLY A 17 12.427 8.187 4.959 1.00 0.00 O ATOM 0 H GLY A 17 14.936 6.645 2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.907 7.827 4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.199 9.334 4.151 1.00 0.00 H new ATOM 226 N GLU A 18 12.715 9.499 3.154 1.00 0.00 N ATOM 227 CA GLU A 18 11.306 9.858 3.054 1.00 0.00 C ATOM 228 C GLU A 18 10.416 8.684 3.453 1.00 0.00 C ATOM 229 O GLU A 18 10.733 7.527 3.174 1.00 0.00 O ATOM 230 CB GLU A 18 10.970 10.306 1.630 1.00 0.00 C ATOM 231 CG GLU A 18 11.274 11.771 1.366 1.00 0.00 C ATOM 232 CD GLU A 18 12.489 12.262 2.128 1.00 0.00 C ATOM 233 OE1 GLU A 18 13.621 12.035 1.650 1.00 0.00 O ATOM 234 OE2 GLU A 18 12.310 12.872 3.203 1.00 0.00 O ATOM 0 H GLU A 18 13.309 9.921 2.441 1.00 0.00 H new ATOM 0 HA GLU A 18 11.119 10.684 3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.531 9.694 0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.912 10.123 1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.436 11.918 0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.409 12.373 1.643 1.00 0.00 H new ATOM 241 N HIS A 19 9.300 8.991 4.107 1.00 0.00 N ATOM 242 CA HIS A 19 8.363 7.962 4.544 1.00 0.00 C ATOM 243 C HIS A 19 7.104 7.971 3.682 1.00 0.00 C ATOM 244 O HIS A 19 6.777 8.979 3.054 1.00 0.00 O ATOM 245 CB HIS A 19 7.991 8.172 6.013 1.00 0.00 C ATOM 246 CG HIS A 19 7.536 6.921 6.700 1.00 0.00 C ATOM 247 ND1 HIS A 19 8.403 5.936 7.122 1.00 0.00 N ATOM 248 CD2 HIS A 19 6.295 6.500 7.040 1.00 0.00 C ATOM 249 CE1 HIS A 19 7.715 4.961 7.690 1.00 0.00 C ATOM 250 NE2 HIS A 19 6.434 5.279 7.653 1.00 0.00 N ATOM 0 H HIS A 19 9.023 9.943 4.346 1.00 0.00 H new ATOM 0 HA HIS A 19 8.849 6.993 4.435 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.854 8.575 6.544 1.00 0.00 H new ATOM 0 HB3 HIS A 19 7.200 8.920 6.076 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.369 7.026 6.862 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.130 4.058 8.113 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.671 4.710 8.020 1.00 0.00 H new ATOM 259 N LEU A 20 6.402 6.844 3.657 1.00 0.00 N ATOM 260 CA LEU A 20 5.179 6.721 2.871 1.00 0.00 C ATOM 261 C LEU A 20 3.996 7.345 3.605 1.00 0.00 C ATOM 262 O LEU A 20 3.286 8.187 3.057 1.00 0.00 O ATOM 263 CB LEU A 20 4.889 5.250 2.569 1.00 0.00 C ATOM 264 CG LEU A 20 5.524 4.689 1.296 1.00 0.00 C ATOM 265 CD1 LEU A 20 4.959 5.384 0.066 1.00 0.00 C ATOM 266 CD2 LEU A 20 7.038 4.835 1.346 1.00 0.00 C ATOM 0 H LEU A 20 6.658 6.002 4.172 1.00 0.00 H new ATOM 0 HA LEU A 20 5.324 7.256 1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.229 4.652 3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.809 5.120 2.500 1.00 0.00 H new ATOM 0 HG LEU A 20 5.284 3.628 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.423 4.972 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.881 5.227 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.168 6.452 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.473 4.431 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.299 5.889 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.428 4.290 2.206 1.00 0.00 H new ATOM 278 N GLY A 21 3.791 6.926 4.850 1.00 0.00 N ATOM 279 CA GLY A 21 2.694 7.455 5.640 1.00 0.00 C ATOM 280 C GLY A 21 1.467 6.567 5.594 1.00 0.00 C ATOM 281 O GLY A 21 0.372 7.025 5.267 1.00 0.00 O ATOM 0 H GLY A 21 4.365 6.230 5.326 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.017 7.570 6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.434 8.449 5.275 1.00 0.00 H new ATOM 285 N VAL A 22 1.648 5.292 5.923 1.00 0.00 N ATOM 286 CA VAL A 22 0.546 4.337 5.918 1.00 0.00 C ATOM 287 C VAL A 22 0.648 3.373 7.094 1.00 0.00 C ATOM 288 O VAL A 22 1.723 3.184 7.666 1.00 0.00 O ATOM 289 CB VAL A 22 0.510 3.528 4.607 1.00 0.00 C ATOM 290 CG1 VAL A 22 0.091 4.414 3.444 1.00 0.00 C ATOM 291 CG2 VAL A 22 1.864 2.888 4.340 1.00 0.00 C ATOM 0 H VAL A 22 2.548 4.896 6.196 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.374 4.915 6.005 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.228 2.733 4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.071 3.825 2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.902 4.821 3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.803 5.232 3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.821 2.320 3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.624 3.665 4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.119 2.219 5.162 1.00 0.00 H new ATOM 301 N THR A 23 -0.478 2.764 7.453 1.00 0.00 N ATOM 302 CA THR A 23 -0.516 1.819 8.562 1.00 0.00 C ATOM 303 C THR A 23 -1.019 0.455 8.105 1.00 0.00 C ATOM 304 O THR A 23 -2.165 0.315 7.679 1.00 0.00 O ATOM 305 CB THR A 23 -1.415 2.329 9.704 1.00 0.00 C ATOM 306 OG1 THR A 23 -2.735 2.584 9.211 1.00 0.00 O ATOM 307 CG2 THR A 23 -0.843 3.599 10.317 1.00 0.00 C ATOM 0 H THR A 23 -1.376 2.909 6.991 1.00 0.00 H new ATOM 0 HA THR A 23 0.506 1.722 8.930 1.00 0.00 H new ATOM 0 HB THR A 23 -1.458 1.560 10.475 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.679 3.012 8.331 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.495 3.940 11.121 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.150 3.395 10.717 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.774 4.373 9.553 1.00 0.00 H new ATOM 315 N PHE A 24 -0.155 -0.551 8.198 1.00 0.00 N ATOM 316 CA PHE A 24 -0.512 -1.906 7.793 1.00 0.00 C ATOM 317 C PHE A 24 -0.915 -2.745 9.002 1.00 0.00 C ATOM 318 O PHE A 24 -0.343 -2.610 10.084 1.00 0.00 O ATOM 319 CB PHE A 24 0.659 -2.569 7.065 1.00 0.00 C ATOM 320 CG PHE A 24 1.160 -1.777 5.891 1.00 0.00 C ATOM 321 CD1 PHE A 24 0.507 -1.835 4.670 1.00 0.00 C ATOM 322 CD2 PHE A 24 2.283 -0.975 6.008 1.00 0.00 C ATOM 323 CE1 PHE A 24 0.967 -1.108 3.588 1.00 0.00 C ATOM 324 CE2 PHE A 24 2.748 -0.245 4.930 1.00 0.00 C ATOM 325 CZ PHE A 24 2.088 -0.311 3.719 1.00 0.00 C ATOM 0 H PHE A 24 0.797 -0.453 8.550 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.363 -1.844 7.115 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.478 -2.717 7.769 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.351 -3.557 6.722 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.371 -2.455 4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.802 -0.919 6.953 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.451 -1.163 2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.626 0.376 5.035 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.447 0.260 2.875 1.00 0.00 H new ATOM 335 N ARG A 25 -1.904 -3.612 8.809 1.00 0.00 N ATOM 336 CA ARG A 25 -2.385 -4.473 9.883 1.00 0.00 C ATOM 337 C ARG A 25 -2.194 -5.944 9.528 1.00 0.00 C ATOM 338 O ARG A 25 -2.233 -6.321 8.356 1.00 0.00 O ATOM 339 CB ARG A 25 -3.863 -4.193 10.166 1.00 0.00 C ATOM 340 CG ARG A 25 -4.749 -4.296 8.936 1.00 0.00 C ATOM 341 CD ARG A 25 -6.220 -4.374 9.313 1.00 0.00 C ATOM 342 NE ARG A 25 -6.788 -3.055 9.576 1.00 0.00 N ATOM 343 CZ ARG A 25 -7.857 -2.854 10.339 1.00 0.00 C ATOM 344 NH1 ARG A 25 -8.470 -3.881 10.911 1.00 0.00 N ATOM 345 NH2 ARG A 25 -8.314 -1.623 10.531 1.00 0.00 N ATOM 0 H ARG A 25 -2.387 -3.737 7.920 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.802 -4.255 10.778 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.219 -4.895 10.920 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.960 -3.194 10.590 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.583 -3.432 8.293 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.473 -5.179 8.360 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.776 -4.854 8.507 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.335 -5.001 10.197 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.340 -2.243 9.151 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.121 -4.828 10.766 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.290 -3.724 11.496 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.845 -0.831 10.093 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.135 -1.469 11.117 1.00 0.00 H new ATOM 359 N VAL A 26 -1.986 -6.772 10.547 1.00 0.00 N ATOM 360 CA VAL A 26 -1.789 -8.202 10.342 1.00 0.00 C ATOM 361 C VAL A 26 -3.118 -8.950 10.373 1.00 0.00 C ATOM 362 O VAL A 26 -3.676 -9.199 11.441 1.00 0.00 O ATOM 363 CB VAL A 26 -0.853 -8.798 11.410 1.00 0.00 C ATOM 364 CG1 VAL A 26 -0.682 -10.294 11.196 1.00 0.00 C ATOM 365 CG2 VAL A 26 0.494 -8.091 11.392 1.00 0.00 C ATOM 0 H VAL A 26 -1.950 -6.477 11.523 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.331 -8.321 9.360 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.305 -8.645 12.390 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.017 -10.697 11.960 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.653 -10.785 11.264 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.253 -10.474 10.210 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.143 -8.525 12.153 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.955 -8.210 10.411 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.351 -7.030 11.599 1.00 0.00 H new ATOM 375 N GLU A 27 -3.618 -9.305 9.193 1.00 0.00 N ATOM 376 CA GLU A 27 -4.882 -10.024 9.086 1.00 0.00 C ATOM 377 C GLU A 27 -4.709 -11.311 8.285 1.00 0.00 C ATOM 378 O GLU A 27 -4.176 -11.298 7.176 1.00 0.00 O ATOM 379 CB GLU A 27 -5.943 -9.140 8.427 1.00 0.00 C ATOM 380 CG GLU A 27 -6.120 -7.792 9.107 1.00 0.00 C ATOM 381 CD GLU A 27 -7.512 -7.222 8.919 1.00 0.00 C ATOM 382 OE1 GLU A 27 -7.834 -6.803 7.788 1.00 0.00 O ATOM 383 OE2 GLU A 27 -8.280 -7.196 9.904 1.00 0.00 O ATOM 0 H GLU A 27 -3.168 -9.107 8.299 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.209 -10.283 10.093 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.672 -8.978 7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.897 -9.668 8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.915 -7.897 10.172 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.387 -7.090 8.709 1.00 0.00 H new ATOM 390 N GLY A 28 -5.163 -12.423 8.856 1.00 0.00 N ATOM 391 CA GLY A 28 -5.048 -13.703 8.183 1.00 0.00 C ATOM 392 C GLY A 28 -3.708 -13.880 7.498 1.00 0.00 C ATOM 393 O GLY A 28 -3.645 -14.116 6.292 1.00 0.00 O ATOM 0 H GLY A 28 -5.608 -12.460 9.773 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.191 -14.505 8.907 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.845 -13.795 7.445 1.00 0.00 H new ATOM 397 N GLY A 29 -2.631 -13.765 8.269 1.00 0.00 N ATOM 398 CA GLY A 29 -1.299 -13.915 7.712 1.00 0.00 C ATOM 399 C GLY A 29 -1.102 -13.094 6.453 1.00 0.00 C ATOM 400 O GLY A 29 -0.351 -13.486 5.560 1.00 0.00 O ATOM 0 H GLY A 29 -2.657 -13.571 9.270 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.561 -13.616 8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.118 -14.966 7.489 1.00 0.00 H new ATOM 404 N GLU A 30 -1.779 -11.952 6.381 1.00 0.00 N ATOM 405 CA GLU A 30 -1.675 -11.076 5.220 1.00 0.00 C ATOM 406 C GLU A 30 -1.654 -9.610 5.645 1.00 0.00 C ATOM 407 O GLU A 30 -2.494 -9.167 6.430 1.00 0.00 O ATOM 408 CB GLU A 30 -2.842 -11.323 4.261 1.00 0.00 C ATOM 409 CG GLU A 30 -2.794 -12.682 3.583 1.00 0.00 C ATOM 410 CD GLU A 30 -3.516 -12.695 2.249 1.00 0.00 C ATOM 411 OE1 GLU A 30 -4.758 -12.565 2.247 1.00 0.00 O ATOM 412 OE2 GLU A 30 -2.840 -12.834 1.209 1.00 0.00 O ATOM 0 H GLU A 30 -2.404 -11.612 7.112 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.739 -11.302 4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.779 -11.233 4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.845 -10.545 3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.754 -12.972 3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.240 -13.428 4.241 1.00 0.00 H new ATOM 419 N LEU A 31 -0.689 -8.863 5.121 1.00 0.00 N ATOM 420 CA LEU A 31 -0.557 -7.447 5.446 1.00 0.00 C ATOM 421 C LEU A 31 -1.488 -6.601 4.583 1.00 0.00 C ATOM 422 O LEU A 31 -1.385 -6.599 3.357 1.00 0.00 O ATOM 423 CB LEU A 31 0.891 -6.991 5.251 1.00 0.00 C ATOM 424 CG LEU A 31 1.803 -7.117 6.471 1.00 0.00 C ATOM 425 CD1 LEU A 31 3.179 -6.542 6.170 1.00 0.00 C ATOM 426 CD2 LEU A 31 1.184 -6.421 7.674 1.00 0.00 C ATOM 0 H LEU A 31 0.013 -9.214 4.470 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.837 -7.312 6.491 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.326 -7.569 4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.883 -5.948 4.934 1.00 0.00 H new ATOM 0 HG LEU A 31 1.917 -8.175 6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.815 -6.640 7.050 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.626 -7.085 5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.084 -5.488 5.907 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.847 -6.521 8.533 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.039 -5.364 7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.221 -6.878 7.903 1.00 0.00 H new ATOM 438 N VAL A 32 -2.397 -5.881 5.233 1.00 0.00 N ATOM 439 CA VAL A 32 -3.345 -5.028 4.526 1.00 0.00 C ATOM 440 C VAL A 32 -3.309 -3.602 5.064 1.00 0.00 C ATOM 441 O VAL A 32 -3.254 -3.387 6.276 1.00 0.00 O ATOM 442 CB VAL A 32 -4.782 -5.572 4.639 1.00 0.00 C ATOM 443 CG1 VAL A 32 -5.729 -4.763 3.766 1.00 0.00 C ATOM 444 CG2 VAL A 32 -4.825 -7.045 4.264 1.00 0.00 C ATOM 0 H VAL A 32 -2.497 -5.871 6.248 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.047 -5.025 3.478 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.108 -5.475 5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.739 -5.162 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.719 -3.721 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.408 -4.825 2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.848 -7.413 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.479 -7.169 3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.179 -7.610 4.936 1.00 0.00 H new ATOM 454 N ILE A 33 -3.341 -2.632 4.157 1.00 0.00 N ATOM 455 CA ILE A 33 -3.313 -1.226 4.541 1.00 0.00 C ATOM 456 C ILE A 33 -4.495 -0.879 5.440 1.00 0.00 C ATOM 457 O ILE A 33 -5.618 -0.706 4.967 1.00 0.00 O ATOM 458 CB ILE A 33 -3.333 -0.305 3.307 1.00 0.00 C ATOM 459 CG1 ILE A 33 -2.012 -0.413 2.542 1.00 0.00 C ATOM 460 CG2 ILE A 33 -3.594 1.134 3.725 1.00 0.00 C ATOM 461 CD1 ILE A 33 -1.985 0.400 1.267 1.00 0.00 C ATOM 0 H ILE A 33 -3.386 -2.794 3.151 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.384 -1.066 5.088 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.140 -0.623 2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.199 -0.086 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.826 -1.459 2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.605 1.773 2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.558 1.197 4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.807 1.465 4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.019 0.276 0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.777 0.058 0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.140 1.453 1.503 1.00 0.00 H new ATOM 473 N ALA A 34 -4.233 -0.777 6.739 1.00 0.00 N ATOM 474 CA ALA A 34 -5.274 -0.446 7.704 1.00 0.00 C ATOM 475 C ALA A 34 -5.778 0.979 7.501 1.00 0.00 C ATOM 476 O ALA A 34 -6.980 1.208 7.365 1.00 0.00 O ATOM 477 CB ALA A 34 -4.755 -0.627 9.123 1.00 0.00 C ATOM 0 H ALA A 34 -3.309 -0.919 7.147 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.111 -1.126 7.545 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.543 -0.376 9.833 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.450 -1.663 9.270 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.899 0.029 9.284 1.00 0.00 H new ATOM 483 N ARG A 35 -4.853 1.932 7.483 1.00 0.00 N ATOM 484 CA ARG A 35 -5.205 3.335 7.298 1.00 0.00 C ATOM 485 C ARG A 35 -4.063 4.099 6.633 1.00 0.00 C ATOM 486 O ARG A 35 -2.931 3.618 6.579 1.00 0.00 O ATOM 487 CB ARG A 35 -5.548 3.978 8.643 1.00 0.00 C ATOM 488 CG ARG A 35 -5.309 5.478 8.679 1.00 0.00 C ATOM 489 CD ARG A 35 -5.583 6.053 10.060 1.00 0.00 C ATOM 490 NE ARG A 35 -5.848 7.489 10.013 1.00 0.00 N ATOM 491 CZ ARG A 35 -6.955 8.016 9.502 1.00 0.00 C ATOM 492 NH1 ARG A 35 -7.895 7.229 8.997 1.00 0.00 N ATOM 493 NH2 ARG A 35 -7.122 9.332 9.495 1.00 0.00 N ATOM 0 H ARG A 35 -3.854 1.759 7.594 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.078 3.382 6.647 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.594 3.780 8.875 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.953 3.505 9.424 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.279 5.690 8.393 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.950 5.967 7.946 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.437 5.541 10.503 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -4.727 5.863 10.708 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.144 8.122 10.394 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.769 6.217 9.000 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.744 7.636 8.605 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.400 9.940 9.882 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.972 9.736 9.102 1.00 0.00 H new ATOM 507 N ILE A 36 -4.369 5.289 6.130 1.00 0.00 N ATOM 508 CA ILE A 36 -3.369 6.119 5.470 1.00 0.00 C ATOM 509 C ILE A 36 -3.286 7.498 6.115 1.00 0.00 C ATOM 510 O ILE A 36 -4.253 8.262 6.101 1.00 0.00 O ATOM 511 CB ILE A 36 -3.676 6.284 3.969 1.00 0.00 C ATOM 512 CG1 ILE A 36 -3.653 4.924 3.269 1.00 0.00 C ATOM 513 CG2 ILE A 36 -2.676 7.234 3.326 1.00 0.00 C ATOM 514 CD1 ILE A 36 -4.405 4.908 1.957 1.00 0.00 C ATOM 0 H ILE A 36 -5.302 5.701 6.167 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.412 5.610 5.583 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.674 6.710 3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.618 4.634 3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.082 4.175 3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.905 7.341 2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.737 8.209 3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.669 6.834 3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.347 3.913 1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.449 5.166 2.133 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.962 5.633 1.275 1.00 0.00 H new ATOM 526 N LEU A 37 -2.125 7.813 6.679 1.00 0.00 N ATOM 527 CA LEU A 37 -1.914 9.102 7.329 1.00 0.00 C ATOM 528 C LEU A 37 -1.645 10.193 6.298 1.00 0.00 C ATOM 529 O LEU A 37 -0.722 10.994 6.452 1.00 0.00 O ATOM 530 CB LEU A 37 -0.747 9.014 8.312 1.00 0.00 C ATOM 531 CG LEU A 37 -1.099 8.578 9.735 1.00 0.00 C ATOM 532 CD1 LEU A 37 -1.051 7.063 9.856 1.00 0.00 C ATOM 533 CD2 LEU A 37 -0.156 9.225 10.740 1.00 0.00 C ATOM 0 H LEU A 37 -1.315 7.193 6.699 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.822 9.360 7.875 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.012 8.316 7.911 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.265 9.991 8.361 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.114 8.908 9.955 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.304 6.771 10.875 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.766 6.620 9.163 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.048 6.710 9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.421 8.903 11.747 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.869 8.926 10.522 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.240 10.310 10.672 1.00 0.00 H new ATOM 545 N HIS A 38 -2.459 10.222 5.247 1.00 0.00 N ATOM 546 CA HIS A 38 -2.310 11.217 4.191 1.00 0.00 C ATOM 547 C HIS A 38 -0.839 11.549 3.960 1.00 0.00 C ATOM 548 O HIS A 38 -0.487 12.694 3.681 1.00 0.00 O ATOM 549 CB HIS A 38 -3.081 12.488 4.548 1.00 0.00 C ATOM 550 CG HIS A 38 -4.507 12.236 4.931 1.00 0.00 C ATOM 551 ND1 HIS A 38 -5.070 12.718 6.094 1.00 0.00 N ATOM 552 CD2 HIS A 38 -5.486 11.550 4.297 1.00 0.00 C ATOM 553 CE1 HIS A 38 -6.334 12.337 6.160 1.00 0.00 C ATOM 554 NE2 HIS A 38 -6.611 11.627 5.081 1.00 0.00 N ATOM 0 H HIS A 38 -3.228 9.568 5.104 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.718 10.798 3.271 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.575 12.990 5.373 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.057 13.169 3.697 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.399 11.037 3.350 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.023 12.567 6.960 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.514 11.205 4.865 1.00 0.00 H new ATOM 563 N GLY A 39 0.016 10.538 4.080 1.00 0.00 N ATOM 564 CA GLY A 39 1.439 10.743 3.882 1.00 0.00 C ATOM 565 C GLY A 39 1.739 11.590 2.661 1.00 0.00 C ATOM 566 O GLY A 39 2.759 12.275 2.607 1.00 0.00 O ATOM 0 H GLY A 39 -0.251 9.581 4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.860 11.223 4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.931 9.776 3.779 1.00 0.00 H new ATOM 570 N GLY A 40 0.847 11.542 1.676 1.00 0.00 N ATOM 571 CA GLY A 40 1.040 12.314 0.462 1.00 0.00 C ATOM 572 C GLY A 40 1.360 11.442 -0.735 1.00 0.00 C ATOM 573 O GLY A 40 0.705 11.537 -1.773 1.00 0.00 O ATOM 0 H GLY A 40 -0.006 10.982 1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.139 12.892 0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.849 13.028 0.614 1.00 0.00 H new ATOM 577 N MET A 41 2.370 10.591 -0.592 1.00 0.00 N ATOM 578 CA MET A 41 2.776 9.698 -1.672 1.00 0.00 C ATOM 579 C MET A 41 1.619 8.799 -2.097 1.00 0.00 C ATOM 580 O MET A 41 1.364 8.621 -3.288 1.00 0.00 O ATOM 581 CB MET A 41 3.967 8.844 -1.236 1.00 0.00 C ATOM 582 CG MET A 41 4.494 7.931 -2.331 1.00 0.00 C ATOM 583 SD MET A 41 5.430 8.823 -3.588 1.00 0.00 S ATOM 584 CE MET A 41 7.085 8.728 -2.909 1.00 0.00 C ATOM 0 H MET A 41 2.923 10.500 0.261 1.00 0.00 H new ATOM 0 HA MET A 41 3.070 10.310 -2.525 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.771 9.500 -0.903 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.674 8.238 -0.379 1.00 0.00 H new ATOM 0 HG2 MET A 41 5.129 7.165 -1.886 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.657 7.416 -2.803 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.539 9.719 -2.916 1.00 0.00 H new ATOM 0 HE2 MET A 41 7.037 8.358 -1.885 1.00 0.00 H new ATOM 0 HE3 MET A 41 7.687 8.049 -3.512 1.00 0.00 H new ATOM 594 N VAL A 42 0.923 8.234 -1.116 1.00 0.00 N ATOM 595 CA VAL A 42 -0.207 7.354 -1.389 1.00 0.00 C ATOM 596 C VAL A 42 -1.480 8.155 -1.637 1.00 0.00 C ATOM 597 O VAL A 42 -2.163 7.960 -2.642 1.00 0.00 O ATOM 598 CB VAL A 42 -0.449 6.373 -0.226 1.00 0.00 C ATOM 599 CG1 VAL A 42 -1.826 5.738 -0.341 1.00 0.00 C ATOM 600 CG2 VAL A 42 0.638 5.309 -0.193 1.00 0.00 C ATOM 0 H VAL A 42 1.122 8.370 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 42 0.043 6.787 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.410 6.929 0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.979 5.048 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.589 6.516 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.898 5.194 -1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.452 4.624 0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.633 4.754 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.609 5.785 -0.058 1.00 0.00 H new ATOM 610 N ALA A 43 -1.794 9.057 -0.713 1.00 0.00 N ATOM 611 CA ALA A 43 -2.984 9.891 -0.832 1.00 0.00 C ATOM 612 C ALA A 43 -3.087 10.505 -2.224 1.00 0.00 C ATOM 613 O ALA A 43 -4.129 10.420 -2.873 1.00 0.00 O ATOM 614 CB ALA A 43 -2.974 10.981 0.229 1.00 0.00 C ATOM 0 H ALA A 43 -1.241 9.229 0.126 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.858 9.258 -0.677 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.868 11.596 0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.957 10.525 1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.089 11.605 0.102 1.00 0.00 H new ATOM 620 N GLN A 44 -2.001 11.123 -2.675 1.00 0.00 N ATOM 621 CA GLN A 44 -1.971 11.753 -3.989 1.00 0.00 C ATOM 622 C GLN A 44 -2.104 10.711 -5.095 1.00 0.00 C ATOM 623 O GLN A 44 -3.082 10.708 -5.842 1.00 0.00 O ATOM 624 CB GLN A 44 -0.674 12.543 -4.170 1.00 0.00 C ATOM 625 CG GLN A 44 -0.545 13.726 -3.223 1.00 0.00 C ATOM 626 CD GLN A 44 -1.471 14.869 -3.588 1.00 0.00 C ATOM 627 OE1 GLN A 44 -1.078 15.802 -4.289 1.00 0.00 O ATOM 628 NE2 GLN A 44 -2.709 14.803 -3.112 1.00 0.00 N ATOM 0 H GLN A 44 -1.130 11.201 -2.150 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.817 12.437 -4.055 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.173 11.874 -4.020 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.618 12.903 -5.197 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.762 13.398 -2.206 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.485 14.082 -3.230 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.992 14.011 -2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.377 15.544 -3.324 1.00 0.00 H new ATOM 637 N GLN A 45 -1.114 9.830 -5.193 1.00 0.00 N ATOM 638 CA GLN A 45 -1.121 8.784 -6.209 1.00 0.00 C ATOM 639 C GLN A 45 -2.507 8.163 -6.342 1.00 0.00 C ATOM 640 O GLN A 45 -3.097 8.162 -7.421 1.00 0.00 O ATOM 641 CB GLN A 45 -0.096 7.702 -5.864 1.00 0.00 C ATOM 642 CG GLN A 45 1.288 7.972 -6.432 1.00 0.00 C ATOM 643 CD GLN A 45 2.379 7.224 -5.691 1.00 0.00 C ATOM 644 OE1 GLN A 45 2.101 6.376 -4.843 1.00 0.00 O ATOM 645 NE2 GLN A 45 3.631 7.535 -6.008 1.00 0.00 N ATOM 0 H GLN A 45 -0.297 9.819 -4.582 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.853 9.238 -7.163 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.024 7.614 -4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.453 6.743 -6.239 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.307 7.687 -7.484 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.492 9.042 -6.388 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.816 8.244 -6.717 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.407 7.064 -5.542 1.00 0.00 H new ATOM 654 N GLY A 46 -3.023 7.635 -5.235 1.00 0.00 N ATOM 655 CA GLY A 46 -4.336 7.018 -5.250 1.00 0.00 C ATOM 656 C GLY A 46 -4.283 5.550 -5.627 1.00 0.00 C ATOM 657 O GLY A 46 -5.312 4.875 -5.669 1.00 0.00 O ATOM 0 H GLY A 46 -2.555 7.624 -4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.794 7.121 -4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.975 7.548 -5.956 1.00 0.00 H new ATOM 661 N LEU A 47 -3.082 5.055 -5.903 1.00 0.00 N ATOM 662 CA LEU A 47 -2.898 3.658 -6.280 1.00 0.00 C ATOM 663 C LEU A 47 -3.193 2.733 -5.103 1.00 0.00 C ATOM 664 O LEU A 47 -3.894 1.731 -5.248 1.00 0.00 O ATOM 665 CB LEU A 47 -1.471 3.427 -6.779 1.00 0.00 C ATOM 666 CG LEU A 47 -1.057 4.221 -8.020 1.00 0.00 C ATOM 667 CD1 LEU A 47 0.437 4.504 -7.998 1.00 0.00 C ATOM 668 CD2 LEU A 47 -1.441 3.469 -9.286 1.00 0.00 C ATOM 0 H LEU A 47 -2.221 5.600 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.598 3.429 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.781 3.669 -5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.350 2.365 -6.994 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.586 5.174 -8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.713 5.069 -8.888 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.684 5.084 -7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.986 3.562 -7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.139 4.048 -10.159 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.939 2.502 -9.301 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.520 3.318 -9.306 1.00 0.00 H new ATOM 680 N LEU A 48 -2.655 3.077 -3.938 1.00 0.00 N ATOM 681 CA LEU A 48 -2.862 2.279 -2.735 1.00 0.00 C ATOM 682 C LEU A 48 -3.926 2.907 -1.841 1.00 0.00 C ATOM 683 O LEU A 48 -4.007 4.130 -1.719 1.00 0.00 O ATOM 684 CB LEU A 48 -1.550 2.137 -1.961 1.00 0.00 C ATOM 685 CG LEU A 48 -0.322 1.753 -2.788 1.00 0.00 C ATOM 686 CD1 LEU A 48 0.943 2.318 -2.159 1.00 0.00 C ATOM 687 CD2 LEU A 48 -0.222 0.241 -2.924 1.00 0.00 C ATOM 0 H LEU A 48 -2.072 3.903 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.206 1.291 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.344 3.082 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.689 1.386 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.431 2.181 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.806 2.035 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.873 3.405 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.057 1.920 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.657 -0.014 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.137 -0.208 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.115 -0.140 -3.420 1.00 0.00 H new ATOM 699 N HIS A 49 -4.741 2.063 -1.217 1.00 0.00 N ATOM 700 CA HIS A 49 -5.800 2.535 -0.331 1.00 0.00 C ATOM 701 C HIS A 49 -6.203 1.449 0.662 1.00 0.00 C ATOM 702 O HIS A 49 -5.832 0.285 0.508 1.00 0.00 O ATOM 703 CB HIS A 49 -7.017 2.974 -1.146 1.00 0.00 C ATOM 704 CG HIS A 49 -7.652 1.862 -1.921 1.00 0.00 C ATOM 705 ND1 HIS A 49 -8.857 1.292 -1.570 1.00 0.00 N ATOM 706 CD2 HIS A 49 -7.243 1.214 -3.038 1.00 0.00 C ATOM 707 CE1 HIS A 49 -9.162 0.341 -2.435 1.00 0.00 C ATOM 708 NE2 HIS A 49 -8.198 0.274 -3.336 1.00 0.00 N ATOM 0 H HIS A 49 -4.689 1.048 -1.308 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.418 3.389 0.228 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -7.758 3.406 -0.473 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -6.716 3.762 -1.837 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.335 1.402 -3.591 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -10.048 -0.276 -2.410 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.168 -0.372 -4.125 1.00 0.00 H new ATOM 717 N VAL A 50 -6.963 1.838 1.680 1.00 0.00 N ATOM 718 CA VAL A 50 -7.416 0.898 2.698 1.00 0.00 C ATOM 719 C VAL A 50 -8.089 -0.316 2.066 1.00 0.00 C ATOM 720 O VAL A 50 -9.065 -0.183 1.329 1.00 0.00 O ATOM 721 CB VAL A 50 -8.400 1.563 3.679 1.00 0.00 C ATOM 722 CG1 VAL A 50 -9.008 0.527 4.612 1.00 0.00 C ATOM 723 CG2 VAL A 50 -7.704 2.661 4.468 1.00 0.00 C ATOM 0 H VAL A 50 -7.278 2.798 1.822 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.531 0.575 3.246 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.208 2.016 3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.700 1.016 5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.544 -0.220 4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.216 0.041 5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.414 3.120 5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.875 2.234 5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.323 3.417 3.781 1.00 0.00 H new ATOM 733 N GLY A 51 -7.558 -1.499 2.358 1.00 0.00 N ATOM 734 CA GLY A 51 -8.120 -2.720 1.810 1.00 0.00 C ATOM 735 C GLY A 51 -7.200 -3.380 0.802 1.00 0.00 C ATOM 736 O GLY A 51 -7.599 -4.313 0.106 1.00 0.00 O ATOM 0 H GLY A 51 -6.749 -1.634 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.325 -3.418 2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.074 -2.495 1.334 1.00 0.00 H new ATOM 740 N ASP A 52 -5.967 -2.893 0.722 1.00 0.00 N ATOM 741 CA ASP A 52 -4.987 -3.442 -0.209 1.00 0.00 C ATOM 742 C ASP A 52 -4.068 -4.436 0.493 1.00 0.00 C ATOM 743 O ASP A 52 -3.456 -4.118 1.513 1.00 0.00 O ATOM 744 CB ASP A 52 -4.161 -2.317 -0.834 1.00 0.00 C ATOM 745 CG ASP A 52 -4.817 -1.734 -2.070 1.00 0.00 C ATOM 746 OD1 ASP A 52 -5.192 -2.517 -2.968 1.00 0.00 O ATOM 747 OD2 ASP A 52 -4.956 -0.495 -2.139 1.00 0.00 O ATOM 0 H ASP A 52 -5.622 -2.119 1.290 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.525 -3.968 -0.997 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.013 -1.527 -0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.174 -2.698 -1.096 1.00 0.00 H new ATOM 752 N ILE A 53 -3.977 -5.642 -0.059 1.00 0.00 N ATOM 753 CA ILE A 53 -3.133 -6.682 0.514 1.00 0.00 C ATOM 754 C ILE A 53 -1.762 -6.707 -0.153 1.00 0.00 C ATOM 755 O ILE A 53 -1.658 -6.756 -1.378 1.00 0.00 O ATOM 756 CB ILE A 53 -3.782 -8.072 0.379 1.00 0.00 C ATOM 757 CG1 ILE A 53 -5.244 -8.022 0.827 1.00 0.00 C ATOM 758 CG2 ILE A 53 -3.008 -9.100 1.192 1.00 0.00 C ATOM 759 CD1 ILE A 53 -6.076 -9.172 0.304 1.00 0.00 C ATOM 0 H ILE A 53 -4.478 -5.922 -0.902 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.016 -6.446 1.572 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.753 -8.370 -0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.282 -8.023 1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.686 -7.083 0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.479 -10.077 1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.981 -9.151 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.009 -8.809 2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.101 -9.072 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.069 -9.160 -0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.659 -10.114 0.659 1.00 0.00 H new ATOM 771 N ILE A 54 -0.713 -6.674 0.663 1.00 0.00 N ATOM 772 CA ILE A 54 0.652 -6.696 0.151 1.00 0.00 C ATOM 773 C ILE A 54 1.195 -8.120 0.094 1.00 0.00 C ATOM 774 O ILE A 54 1.321 -8.790 1.119 1.00 0.00 O ATOM 775 CB ILE A 54 1.591 -5.835 1.017 1.00 0.00 C ATOM 776 CG1 ILE A 54 1.082 -4.393 1.081 1.00 0.00 C ATOM 777 CG2 ILE A 54 3.008 -5.878 0.465 1.00 0.00 C ATOM 778 CD1 ILE A 54 1.987 -3.468 1.865 1.00 0.00 C ATOM 0 H ILE A 54 -0.782 -6.632 1.680 1.00 0.00 H new ATOM 0 HA ILE A 54 0.618 -6.282 -0.857 1.00 0.00 H new ATOM 0 HB ILE A 54 1.603 -6.241 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.974 -4.009 0.067 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.090 -4.386 1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.660 -5.265 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.368 -6.907 0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.013 -5.493 -0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.565 -2.463 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.076 -3.828 2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.973 -3.445 1.402 1.00 0.00 H new ATOM 790 N LYS A 55 1.517 -8.576 -1.112 1.00 0.00 N ATOM 791 CA LYS A 55 2.051 -9.919 -1.305 1.00 0.00 C ATOM 792 C LYS A 55 3.571 -9.923 -1.186 1.00 0.00 C ATOM 793 O LYS A 55 4.141 -10.704 -0.424 1.00 0.00 O ATOM 794 CB LYS A 55 1.634 -10.463 -2.673 1.00 0.00 C ATOM 795 CG LYS A 55 1.475 -11.974 -2.704 1.00 0.00 C ATOM 796 CD LYS A 55 2.788 -12.666 -3.032 1.00 0.00 C ATOM 797 CE LYS A 55 2.557 -13.987 -3.748 1.00 0.00 C ATOM 798 NZ LYS A 55 3.702 -14.923 -3.568 1.00 0.00 N ATOM 0 H LYS A 55 1.417 -8.035 -1.971 1.00 0.00 H new ATOM 0 HA LYS A 55 1.642 -10.561 -0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.692 -10.001 -2.967 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.378 -10.169 -3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.110 -12.322 -1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.724 -12.247 -3.445 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.398 -12.014 -3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.347 -12.842 -2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.646 -14.451 -3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.403 -13.802 -4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.506 -15.812 -4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.567 -14.491 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.833 -15.120 -2.555 1.00 0.00 H new ATOM 812 N GLU A 56 4.222 -9.045 -1.944 1.00 0.00 N ATOM 813 CA GLU A 56 5.677 -8.949 -1.921 1.00 0.00 C ATOM 814 C GLU A 56 6.134 -7.538 -2.281 1.00 0.00 C ATOM 815 O GLU A 56 5.378 -6.757 -2.859 1.00 0.00 O ATOM 816 CB GLU A 56 6.292 -9.959 -2.892 1.00 0.00 C ATOM 817 CG GLU A 56 6.432 -9.432 -4.311 1.00 0.00 C ATOM 818 CD GLU A 56 7.519 -8.383 -4.439 1.00 0.00 C ATOM 819 OE1 GLU A 56 8.521 -8.473 -3.699 1.00 0.00 O ATOM 820 OE2 GLU A 56 7.367 -7.472 -5.280 1.00 0.00 O ATOM 0 H GLU A 56 3.765 -8.391 -2.580 1.00 0.00 H new ATOM 0 HA GLU A 56 6.015 -9.176 -0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.275 -10.252 -2.524 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.676 -10.858 -2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.652 -10.262 -4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.481 -9.006 -4.632 1.00 0.00 H new ATOM 827 N VAL A 57 7.376 -7.218 -1.934 1.00 0.00 N ATOM 828 CA VAL A 57 7.936 -5.902 -2.220 1.00 0.00 C ATOM 829 C VAL A 57 9.336 -6.017 -2.811 1.00 0.00 C ATOM 830 O VAL A 57 10.299 -6.303 -2.100 1.00 0.00 O ATOM 831 CB VAL A 57 7.996 -5.030 -0.951 1.00 0.00 C ATOM 832 CG1 VAL A 57 8.903 -5.665 0.091 1.00 0.00 C ATOM 833 CG2 VAL A 57 8.465 -3.624 -1.294 1.00 0.00 C ATOM 0 H VAL A 57 8.014 -7.852 -1.454 1.00 0.00 H new ATOM 0 HA VAL A 57 7.276 -5.428 -2.947 1.00 0.00 H new ATOM 0 HB VAL A 57 6.993 -4.961 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.933 -5.035 0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.518 -6.650 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.909 -5.766 -0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.502 -3.021 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.459 -3.670 -1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.771 -3.172 -2.002 1.00 0.00 H new ATOM 843 N ASN A 58 9.442 -5.791 -4.116 1.00 0.00 N ATOM 844 CA ASN A 58 10.726 -5.869 -4.804 1.00 0.00 C ATOM 845 C ASN A 58 11.306 -7.277 -4.714 1.00 0.00 C ATOM 846 O ASN A 58 12.447 -7.464 -4.292 1.00 0.00 O ATOM 847 CB ASN A 58 11.710 -4.861 -4.207 1.00 0.00 C ATOM 848 CG ASN A 58 11.415 -3.438 -4.642 1.00 0.00 C ATOM 849 OD1 ASN A 58 11.138 -3.180 -5.814 1.00 0.00 O ATOM 850 ND2 ASN A 58 11.473 -2.507 -3.698 1.00 0.00 N ATOM 0 H ASN A 58 8.654 -5.552 -4.719 1.00 0.00 H new ATOM 0 HA ASN A 58 10.563 -5.629 -5.855 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.672 -4.921 -3.119 1.00 0.00 H new ATOM 0 HB3 ASN A 58 12.724 -5.127 -4.506 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.284 -1.532 -3.931 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.707 -2.766 -2.740 1.00 0.00 H new ATOM 857 N GLY A 59 10.512 -8.266 -5.115 1.00 0.00 N ATOM 858 CA GLY A 59 10.965 -9.644 -5.072 1.00 0.00 C ATOM 859 C GLY A 59 11.445 -10.054 -3.694 1.00 0.00 C ATOM 860 O GLY A 59 12.402 -10.818 -3.566 1.00 0.00 O ATOM 0 H GLY A 59 9.564 -8.137 -5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.151 -10.300 -5.380 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.773 -9.780 -5.790 1.00 0.00 H new ATOM 864 N GLN A 60 10.781 -9.545 -2.662 1.00 0.00 N ATOM 865 CA GLN A 60 11.148 -9.862 -1.287 1.00 0.00 C ATOM 866 C GLN A 60 9.908 -10.132 -0.441 1.00 0.00 C ATOM 867 O GLN A 60 8.889 -9.449 -0.552 1.00 0.00 O ATOM 868 CB GLN A 60 11.957 -8.716 -0.676 1.00 0.00 C ATOM 869 CG GLN A 60 11.771 -8.573 0.826 1.00 0.00 C ATOM 870 CD GLN A 60 13.001 -8.019 1.516 1.00 0.00 C ATOM 871 OE1 GLN A 60 14.081 -7.951 0.927 1.00 0.00 O ATOM 872 NE2 GLN A 60 12.846 -7.618 2.773 1.00 0.00 N ATOM 0 H GLN A 60 9.986 -8.912 -2.752 1.00 0.00 H new ATOM 0 HA GLN A 60 11.760 -10.764 -1.300 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.014 -8.875 -0.889 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.671 -7.782 -1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.923 -7.917 1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.527 -9.546 1.252 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.934 -7.692 3.223 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.639 -7.236 3.288 1.00 0.00 H new ATOM 881 N PRO A 61 9.993 -11.151 0.427 1.00 0.00 N ATOM 882 CA PRO A 61 8.887 -11.535 1.309 1.00 0.00 C ATOM 883 C PRO A 61 8.630 -10.501 2.399 1.00 0.00 C ATOM 884 O PRO A 61 9.440 -10.329 3.310 1.00 0.00 O ATOM 885 CB PRO A 61 9.364 -12.853 1.924 1.00 0.00 C ATOM 886 CG PRO A 61 10.851 -12.785 1.859 1.00 0.00 C ATOM 887 CD PRO A 61 11.176 -12.008 0.613 1.00 0.00 C ATOM 0 HA PRO A 61 7.944 -11.618 0.768 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.017 -12.959 2.952 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.982 -13.710 1.369 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.258 -12.294 2.743 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.286 -13.784 1.821 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.085 -11.418 0.733 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.334 -12.666 -0.241 1.00 0.00 H new ATOM 895 N VAL A 62 7.496 -9.813 2.301 1.00 0.00 N ATOM 896 CA VAL A 62 7.132 -8.796 3.280 1.00 0.00 C ATOM 897 C VAL A 62 6.858 -9.420 4.644 1.00 0.00 C ATOM 898 O VAL A 62 6.995 -8.766 5.677 1.00 0.00 O ATOM 899 CB VAL A 62 5.889 -8.005 2.831 1.00 0.00 C ATOM 900 CG1 VAL A 62 6.033 -7.562 1.383 1.00 0.00 C ATOM 901 CG2 VAL A 62 4.630 -8.837 3.020 1.00 0.00 C ATOM 0 H VAL A 62 6.814 -9.942 1.553 1.00 0.00 H new ATOM 0 HA VAL A 62 7.979 -8.114 3.359 1.00 0.00 H new ATOM 0 HB VAL A 62 5.803 -7.113 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.146 -7.005 1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.912 -6.926 1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.145 -8.438 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.762 -8.262 2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.703 -9.748 2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.521 -9.098 4.073 1.00 0.00 H new ATOM 911 N GLY A 63 6.469 -10.692 4.640 1.00 0.00 N ATOM 912 CA GLY A 63 6.182 -11.384 5.883 1.00 0.00 C ATOM 913 C GLY A 63 4.999 -10.787 6.619 1.00 0.00 C ATOM 914 O GLY A 63 4.403 -9.811 6.162 1.00 0.00 O ATOM 0 H GLY A 63 6.348 -11.255 3.798 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.982 -12.435 5.673 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.061 -11.349 6.526 1.00 0.00 H new ATOM 918 N SER A 64 4.656 -11.374 7.761 1.00 0.00 N ATOM 919 CA SER A 64 3.533 -10.898 8.559 1.00 0.00 C ATOM 920 C SER A 64 3.994 -9.873 9.590 1.00 0.00 C ATOM 921 O SER A 64 3.653 -9.964 10.769 1.00 0.00 O ATOM 922 CB SER A 64 2.845 -12.070 9.262 1.00 0.00 C ATOM 923 OG SER A 64 2.101 -12.851 8.342 1.00 0.00 O ATOM 0 H SER A 64 5.140 -12.181 8.154 1.00 0.00 H new ATOM 0 HA SER A 64 2.821 -10.418 7.887 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.593 -12.694 9.752 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.184 -11.693 10.042 1.00 0.00 H new ATOM 0 HG SER A 64 1.672 -13.594 8.815 1.00 0.00 H new ATOM 929 N ASP A 65 4.773 -8.896 9.136 1.00 0.00 N ATOM 930 CA ASP A 65 5.282 -7.852 10.017 1.00 0.00 C ATOM 931 C ASP A 65 5.085 -6.473 9.396 1.00 0.00 C ATOM 932 O ASP A 65 5.852 -6.036 8.537 1.00 0.00 O ATOM 933 CB ASP A 65 6.764 -8.084 10.315 1.00 0.00 C ATOM 934 CG ASP A 65 7.053 -9.511 10.737 1.00 0.00 C ATOM 935 OD1 ASP A 65 6.779 -9.851 11.907 1.00 0.00 O ATOM 936 OD2 ASP A 65 7.553 -10.287 9.897 1.00 0.00 O ATOM 0 H ASP A 65 5.065 -8.806 8.163 1.00 0.00 H new ATOM 0 HA ASP A 65 4.721 -7.894 10.951 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.352 -7.844 9.429 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.084 -7.403 11.104 1.00 0.00 H new ATOM 941 N PRO A 66 4.031 -5.769 9.837 1.00 0.00 N ATOM 942 CA PRO A 66 3.708 -4.429 9.337 1.00 0.00 C ATOM 943 C PRO A 66 4.721 -3.383 9.788 1.00 0.00 C ATOM 944 O PRO A 66 5.135 -2.528 9.005 1.00 0.00 O ATOM 945 CB PRO A 66 2.335 -4.144 9.949 1.00 0.00 C ATOM 946 CG PRO A 66 2.283 -4.988 11.175 1.00 0.00 C ATOM 947 CD PRO A 66 3.074 -6.227 10.858 1.00 0.00 C ATOM 0 HA PRO A 66 3.721 -4.385 8.248 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.221 -3.087 10.191 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.533 -4.401 9.257 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.708 -4.462 12.030 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.254 -5.237 11.434 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.583 -6.615 11.740 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.436 -7.026 10.481 1.00 0.00 H new ATOM 955 N ARG A 67 5.115 -3.456 11.055 1.00 0.00 N ATOM 956 CA ARG A 67 6.079 -2.513 11.611 1.00 0.00 C ATOM 957 C ARG A 67 7.448 -2.687 10.959 1.00 0.00 C ATOM 958 O ARG A 67 8.238 -1.746 10.891 1.00 0.00 O ATOM 959 CB ARG A 67 6.196 -2.704 13.125 1.00 0.00 C ATOM 960 CG ARG A 67 4.878 -2.537 13.863 1.00 0.00 C ATOM 961 CD ARG A 67 4.972 -3.047 15.293 1.00 0.00 C ATOM 962 NE ARG A 67 3.985 -2.416 16.165 1.00 0.00 N ATOM 963 CZ ARG A 67 2.686 -2.687 16.121 1.00 0.00 C ATOM 964 NH1 ARG A 67 2.219 -3.574 15.253 1.00 0.00 N ATOM 965 NH2 ARG A 67 1.850 -2.072 16.948 1.00 0.00 N ATOM 0 H ARG A 67 4.782 -4.158 11.716 1.00 0.00 H new ATOM 0 HA ARG A 67 5.723 -1.504 11.405 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.593 -3.699 13.328 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.917 -1.987 13.519 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.594 -1.485 13.869 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.092 -3.077 13.334 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.827 -4.127 15.303 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.973 -2.857 15.681 1.00 0.00 H new ATOM 0 HE ARG A 67 4.311 -1.729 16.845 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.858 -4.050 14.617 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.221 -3.780 15.222 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.205 -1.390 17.618 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.852 -2.281 16.913 1.00 0.00 H new ATOM 979 N ALA A 68 7.720 -3.897 10.480 1.00 0.00 N ATOM 980 CA ALA A 68 8.991 -4.193 9.832 1.00 0.00 C ATOM 981 C ALA A 68 8.959 -3.806 8.357 1.00 0.00 C ATOM 982 O ALA A 68 10.001 -3.569 7.745 1.00 0.00 O ATOM 983 CB ALA A 68 9.331 -5.669 9.985 1.00 0.00 C ATOM 0 H ALA A 68 7.077 -4.687 10.529 1.00 0.00 H new ATOM 0 HA ALA A 68 9.765 -3.601 10.319 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.283 -5.876 9.496 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.405 -5.917 11.044 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.548 -6.272 9.525 1.00 0.00 H new ATOM 989 N LEU A 69 7.759 -3.745 7.793 1.00 0.00 N ATOM 990 CA LEU A 69 7.591 -3.388 6.388 1.00 0.00 C ATOM 991 C LEU A 69 7.755 -1.885 6.186 1.00 0.00 C ATOM 992 O LEU A 69 8.575 -1.444 5.381 1.00 0.00 O ATOM 993 CB LEU A 69 6.216 -3.834 5.889 1.00 0.00 C ATOM 994 CG LEU A 69 5.614 -3.007 4.752 1.00 0.00 C ATOM 995 CD1 LEU A 69 6.424 -3.181 3.478 1.00 0.00 C ATOM 996 CD2 LEU A 69 4.161 -3.397 4.520 1.00 0.00 C ATOM 0 H LEU A 69 6.887 -3.938 8.286 1.00 0.00 H new ATOM 0 HA LEU A 69 8.363 -3.900 5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.290 -4.870 5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.523 -3.817 6.730 1.00 0.00 H new ATOM 0 HG LEU A 69 5.646 -1.955 5.037 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.980 -2.585 2.680 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.449 -2.851 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.425 -4.232 3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.749 -2.798 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.105 -4.453 4.257 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.587 -3.219 5.429 1.00 0.00 H new ATOM 1008 N GLN A 70 6.972 -1.104 6.924 1.00 0.00 N ATOM 1009 CA GLN A 70 7.033 0.349 6.826 1.00 0.00 C ATOM 1010 C GLN A 70 8.469 0.844 6.959 1.00 0.00 C ATOM 1011 O GLN A 70 8.788 1.965 6.562 1.00 0.00 O ATOM 1012 CB GLN A 70 6.157 0.991 7.903 1.00 0.00 C ATOM 1013 CG GLN A 70 4.695 0.584 7.821 1.00 0.00 C ATOM 1014 CD GLN A 70 3.927 0.910 9.087 1.00 0.00 C ATOM 1015 OE1 GLN A 70 4.517 1.155 10.139 1.00 0.00 O ATOM 1016 NE2 GLN A 70 2.602 0.913 8.991 1.00 0.00 N ATOM 0 H GLN A 70 6.289 -1.453 7.596 1.00 0.00 H new ATOM 0 HA GLN A 70 6.659 0.638 5.844 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.546 0.721 8.885 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.229 2.075 7.819 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.228 1.090 6.976 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.630 -0.487 7.627 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.155 0.704 8.098 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.032 1.124 9.810 1.00 0.00 H new ATOM 1025 N GLU A 71 9.331 0.002 7.520 1.00 0.00 N ATOM 1026 CA GLU A 71 10.733 0.356 7.706 1.00 0.00 C ATOM 1027 C GLU A 71 11.558 -0.027 6.481 1.00 0.00 C ATOM 1028 O GLU A 71 12.543 0.634 6.150 1.00 0.00 O ATOM 1029 CB GLU A 71 11.296 -0.335 8.950 1.00 0.00 C ATOM 1030 CG GLU A 71 12.814 -0.398 8.977 1.00 0.00 C ATOM 1031 CD GLU A 71 13.359 -0.729 10.353 1.00 0.00 C ATOM 1032 OE1 GLU A 71 13.182 -1.883 10.798 1.00 0.00 O ATOM 1033 OE2 GLU A 71 13.962 0.164 10.983 1.00 0.00 O ATOM 0 H GLU A 71 9.083 -0.930 7.853 1.00 0.00 H new ATOM 0 HA GLU A 71 10.794 1.436 7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.947 0.193 9.838 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.898 -1.348 9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 71 13.156 -1.149 8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.220 0.559 8.650 1.00 0.00 H new ATOM 1040 N LEU A 72 11.149 -1.099 5.812 1.00 0.00 N ATOM 1041 CA LEU A 72 11.850 -1.572 4.623 1.00 0.00 C ATOM 1042 C LEU A 72 11.824 -0.518 3.520 1.00 0.00 C ATOM 1043 O LEU A 72 12.830 -0.281 2.849 1.00 0.00 O ATOM 1044 CB LEU A 72 11.220 -2.871 4.117 1.00 0.00 C ATOM 1045 CG LEU A 72 10.098 -2.717 3.090 1.00 0.00 C ATOM 1046 CD1 LEU A 72 10.665 -2.319 1.736 1.00 0.00 C ATOM 1047 CD2 LEU A 72 9.298 -4.006 2.976 1.00 0.00 C ATOM 0 H LEU A 72 10.336 -1.657 6.072 1.00 0.00 H new ATOM 0 HA LEU A 72 12.888 -1.761 4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.006 -3.485 3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.828 -3.419 4.974 1.00 0.00 H new ATOM 0 HG LEU A 72 9.429 -1.926 3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.852 -2.214 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.193 -1.370 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.357 -3.087 1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.504 -3.878 2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.956 -4.816 2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.860 -4.249 3.944 1.00 0.00 H new ATOM 1059 N LEU A 73 10.669 0.112 3.339 1.00 0.00 N ATOM 1060 CA LEU A 73 10.512 1.143 2.319 1.00 0.00 C ATOM 1061 C LEU A 73 11.348 2.374 2.655 1.00 0.00 C ATOM 1062 O LEU A 73 12.088 2.883 1.813 1.00 0.00 O ATOM 1063 CB LEU A 73 9.039 1.535 2.184 1.00 0.00 C ATOM 1064 CG LEU A 73 8.106 0.455 1.635 1.00 0.00 C ATOM 1065 CD1 LEU A 73 6.680 0.690 2.111 1.00 0.00 C ATOM 1066 CD2 LEU A 73 8.164 0.422 0.115 1.00 0.00 C ATOM 0 H LEU A 73 9.827 -0.073 3.885 1.00 0.00 H new ATOM 0 HA LEU A 73 10.862 0.736 1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.673 1.839 3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.974 2.408 1.535 1.00 0.00 H new ATOM 0 HG LEU A 73 8.439 -0.512 2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.030 -0.088 1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.651 0.662 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.336 1.664 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.494 -0.352 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.857 1.390 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.183 0.205 -0.206 1.00 0.00 H new ATOM 1078 N ARG A 74 11.227 2.845 3.892 1.00 0.00 N ATOM 1079 CA ARG A 74 11.972 4.016 4.340 1.00 0.00 C ATOM 1080 C ARG A 74 13.382 4.018 3.757 1.00 0.00 C ATOM 1081 O ARG A 74 13.826 5.013 3.185 1.00 0.00 O ATOM 1082 CB ARG A 74 12.041 4.049 5.868 1.00 0.00 C ATOM 1083 CG ARG A 74 12.626 5.337 6.424 1.00 0.00 C ATOM 1084 CD ARG A 74 12.194 5.570 7.863 1.00 0.00 C ATOM 1085 NE ARG A 74 13.135 6.421 8.586 1.00 0.00 N ATOM 1086 CZ ARG A 74 14.380 6.059 8.876 1.00 0.00 C ATOM 1087 NH1 ARG A 74 14.831 4.868 8.506 1.00 0.00 N ATOM 1088 NH2 ARG A 74 15.177 6.888 9.537 1.00 0.00 N ATOM 0 H ARG A 74 10.620 2.434 4.602 1.00 0.00 H new ATOM 0 HA ARG A 74 11.449 4.905 3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.038 3.912 6.272 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.642 3.208 6.214 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.714 5.296 6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.309 6.178 5.807 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.206 6.030 7.875 1.00 0.00 H new ATOM 0 HD3 ARG A 74 12.105 4.612 8.375 1.00 0.00 H new ATOM 0 HE ARG A 74 12.819 7.344 8.885 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.222 4.227 7.997 1.00 0.00 H new ATOM 0 HH12 ARG A 74 15.787 4.593 8.730 1.00 0.00 H new ATOM 0 HH21 ARG A 74 14.834 7.805 9.823 1.00 0.00 H new ATOM 0 HH22 ARG A 74 16.133 6.608 9.759 1.00 0.00 H new ATOM 1102 N ASN A 75 14.081 2.898 3.907 1.00 0.00 N ATOM 1103 CA ASN A 75 15.441 2.771 3.396 1.00 0.00 C ATOM 1104 C ASN A 75 15.437 2.540 1.888 1.00 0.00 C ATOM 1105 O ASN A 75 16.252 3.106 1.160 1.00 0.00 O ATOM 1106 CB ASN A 75 16.167 1.621 4.097 1.00 0.00 C ATOM 1107 CG ASN A 75 16.880 2.070 5.358 1.00 0.00 C ATOM 1108 OD1 ASN A 75 18.043 2.471 5.317 1.00 0.00 O ATOM 1109 ND2 ASN A 75 16.183 2.006 6.487 1.00 0.00 N ATOM 0 H ASN A 75 13.728 2.065 4.378 1.00 0.00 H new ATOM 0 HA ASN A 75 15.967 3.703 3.602 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.449 0.841 4.348 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.891 1.180 3.411 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.610 2.296 7.367 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.221 1.667 6.474 1.00 0.00 H new ATOM 1116 N ALA A 76 14.512 1.705 1.426 1.00 0.00 N ATOM 1117 CA ALA A 76 14.399 1.401 0.004 1.00 0.00 C ATOM 1118 C ALA A 76 14.408 2.676 -0.832 1.00 0.00 C ATOM 1119 O ALA A 76 13.427 3.420 -0.857 1.00 0.00 O ATOM 1120 CB ALA A 76 13.134 0.599 -0.265 1.00 0.00 C ATOM 0 H ALA A 76 13.830 1.227 2.015 1.00 0.00 H new ATOM 0 HA ALA A 76 15.263 0.803 -0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.062 0.379 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.169 -0.334 0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.264 1.177 0.045 1.00 0.00 H new ATOM 1126 N SER A 77 15.521 2.922 -1.515 1.00 0.00 N ATOM 1127 CA SER A 77 15.659 4.110 -2.349 1.00 0.00 C ATOM 1128 C SER A 77 15.439 3.770 -3.820 1.00 0.00 C ATOM 1129 O SER A 77 15.498 2.606 -4.215 1.00 0.00 O ATOM 1130 CB SER A 77 17.042 4.735 -2.160 1.00 0.00 C ATOM 1131 OG SER A 77 17.230 5.835 -3.034 1.00 0.00 O ATOM 0 H SER A 77 16.340 2.315 -1.507 1.00 0.00 H new ATOM 0 HA SER A 77 14.899 4.828 -2.042 1.00 0.00 H new ATOM 0 HB2 SER A 77 17.158 5.064 -1.127 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.811 3.985 -2.344 1.00 0.00 H new ATOM 0 HG SER A 77 18.121 6.217 -2.892 1.00 0.00 H new ATOM 1137 N GLY A 78 15.186 4.795 -4.628 1.00 0.00 N ATOM 1138 CA GLY A 78 14.961 4.585 -6.046 1.00 0.00 C ATOM 1139 C GLY A 78 13.582 4.028 -6.338 1.00 0.00 C ATOM 1140 O GLY A 78 12.698 4.061 -5.482 1.00 0.00 O ATOM 0 H GLY A 78 15.133 5.768 -4.325 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.087 5.530 -6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.716 3.900 -6.433 1.00 0.00 H new ATOM 1144 N SER A 79 13.396 3.518 -7.551 1.00 0.00 N ATOM 1145 CA SER A 79 12.112 2.957 -7.956 1.00 0.00 C ATOM 1146 C SER A 79 11.765 1.733 -7.114 1.00 0.00 C ATOM 1147 O SER A 79 12.451 0.712 -7.169 1.00 0.00 O ATOM 1148 CB SER A 79 12.142 2.579 -9.438 1.00 0.00 C ATOM 1149 OG SER A 79 11.953 3.719 -10.259 1.00 0.00 O ATOM 0 H SER A 79 14.118 3.482 -8.271 1.00 0.00 H new ATOM 0 HA SER A 79 11.345 3.715 -7.797 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.096 2.109 -9.677 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.364 1.845 -9.645 1.00 0.00 H new ATOM 0 HG SER A 79 11.978 3.451 -11.201 1.00 0.00 H new ATOM 1155 N VAL A 80 10.693 1.843 -6.336 1.00 0.00 N ATOM 1156 CA VAL A 80 10.252 0.746 -5.482 1.00 0.00 C ATOM 1157 C VAL A 80 9.008 0.073 -6.051 1.00 0.00 C ATOM 1158 O VAL A 80 8.084 0.743 -6.513 1.00 0.00 O ATOM 1159 CB VAL A 80 9.950 1.233 -4.053 1.00 0.00 C ATOM 1160 CG1 VAL A 80 9.649 0.055 -3.139 1.00 0.00 C ATOM 1161 CG2 VAL A 80 11.113 2.053 -3.513 1.00 0.00 C ATOM 0 H VAL A 80 10.114 2.681 -6.279 1.00 0.00 H new ATOM 0 HA VAL A 80 11.068 0.025 -5.447 1.00 0.00 H new ATOM 0 HB VAL A 80 9.068 1.872 -4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.438 0.419 -2.134 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.783 -0.487 -3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.510 -0.612 -3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.883 2.389 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.014 1.439 -3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.277 2.919 -4.155 1.00 0.00 H new ATOM 1171 N ILE A 81 8.992 -1.255 -6.015 1.00 0.00 N ATOM 1172 CA ILE A 81 7.860 -2.019 -6.526 1.00 0.00 C ATOM 1173 C ILE A 81 7.099 -2.698 -5.393 1.00 0.00 C ATOM 1174 O ILE A 81 7.699 -3.207 -4.445 1.00 0.00 O ATOM 1175 CB ILE A 81 8.313 -3.088 -7.538 1.00 0.00 C ATOM 1176 CG1 ILE A 81 8.781 -2.426 -8.836 1.00 0.00 C ATOM 1177 CG2 ILE A 81 7.182 -4.067 -7.815 1.00 0.00 C ATOM 1178 CD1 ILE A 81 9.839 -1.365 -8.626 1.00 0.00 C ATOM 0 H ILE A 81 9.750 -1.824 -5.638 1.00 0.00 H new ATOM 0 HA ILE A 81 7.202 -1.310 -7.029 1.00 0.00 H new ATOM 0 HB ILE A 81 9.150 -3.641 -7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.174 -3.192 -9.504 1.00 0.00 H new ATOM 0 HG13 ILE A 81 7.922 -1.978 -9.336 1.00 0.00 H new ATOM 0 HG21 ILE A 81 7.517 -4.817 -8.532 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.890 -4.558 -6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.327 -3.529 -8.225 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.123 -0.939 -9.588 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.443 -0.578 -7.984 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.714 -1.812 -8.155 1.00 0.00 H new ATOM 1190 N LEU A 82 5.775 -2.705 -5.497 1.00 0.00 N ATOM 1191 CA LEU A 82 4.930 -3.324 -4.482 1.00 0.00 C ATOM 1192 C LEU A 82 3.840 -4.175 -5.125 1.00 0.00 C ATOM 1193 O LEU A 82 3.061 -3.689 -5.946 1.00 0.00 O ATOM 1194 CB LEU A 82 4.298 -2.252 -3.593 1.00 0.00 C ATOM 1195 CG LEU A 82 5.124 -1.807 -2.386 1.00 0.00 C ATOM 1196 CD1 LEU A 82 4.550 -0.534 -1.785 1.00 0.00 C ATOM 1197 CD2 LEU A 82 5.181 -2.913 -1.342 1.00 0.00 C ATOM 0 H LEU A 82 5.263 -2.289 -6.275 1.00 0.00 H new ATOM 0 HA LEU A 82 5.557 -3.972 -3.869 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.089 -1.376 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.339 -2.626 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 82 6.140 -1.599 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.152 -0.233 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.562 0.259 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.524 -0.714 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.773 -2.579 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.171 -3.153 -1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.640 -3.801 -1.777 1.00 0.00 H new ATOM 1209 N LYS A 83 3.788 -5.447 -4.746 1.00 0.00 N ATOM 1210 CA LYS A 83 2.792 -6.367 -5.282 1.00 0.00 C ATOM 1211 C LYS A 83 1.533 -6.368 -4.420 1.00 0.00 C ATOM 1212 O LYS A 83 1.537 -6.883 -3.301 1.00 0.00 O ATOM 1213 CB LYS A 83 3.367 -7.782 -5.367 1.00 0.00 C ATOM 1214 CG LYS A 83 2.357 -8.823 -5.820 1.00 0.00 C ATOM 1215 CD LYS A 83 3.009 -10.180 -6.024 1.00 0.00 C ATOM 1216 CE LYS A 83 3.536 -10.338 -7.442 1.00 0.00 C ATOM 1217 NZ LYS A 83 2.433 -10.481 -8.432 1.00 0.00 N ATOM 0 H LYS A 83 4.425 -5.865 -4.068 1.00 0.00 H new ATOM 0 HA LYS A 83 2.525 -6.030 -6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.210 -7.782 -6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.756 -8.067 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.563 -8.908 -5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.891 -8.499 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.828 -10.302 -5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.286 -10.968 -5.814 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.146 -9.473 -7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.185 -11.212 -7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.802 -10.915 -9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.685 -11.085 -8.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.040 -9.543 -8.652 1.00 0.00 H new ATOM 1231 N ILE A 84 0.459 -5.792 -4.948 1.00 0.00 N ATOM 1232 CA ILE A 84 -0.806 -5.730 -4.227 1.00 0.00 C ATOM 1233 C ILE A 84 -1.806 -6.738 -4.784 1.00 0.00 C ATOM 1234 O ILE A 84 -1.656 -7.223 -5.907 1.00 0.00 O ATOM 1235 CB ILE A 84 -1.424 -4.321 -4.294 1.00 0.00 C ATOM 1236 CG1 ILE A 84 -0.362 -3.260 -3.997 1.00 0.00 C ATOM 1237 CG2 ILE A 84 -2.584 -4.204 -3.317 1.00 0.00 C ATOM 1238 CD1 ILE A 84 -0.133 -3.032 -2.519 1.00 0.00 C ATOM 0 H ILE A 84 0.439 -5.362 -5.873 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.589 -5.973 -3.187 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.805 -4.155 -5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.578 -3.559 -4.460 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.660 -2.319 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.010 -3.202 -3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.348 -4.939 -3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.226 -4.387 -2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.632 -2.268 -2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.062 -2.703 -2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.196 -3.961 -2.054 1.00 0.00 H new ATOM 1250 N LEU A 85 -2.828 -7.048 -3.994 1.00 0.00 N ATOM 1251 CA LEU A 85 -3.855 -7.997 -4.408 1.00 0.00 C ATOM 1252 C LEU A 85 -5.203 -7.648 -3.784 1.00 0.00 C ATOM 1253 O LEU A 85 -5.264 -7.031 -2.721 1.00 0.00 O ATOM 1254 CB LEU A 85 -3.452 -9.419 -4.016 1.00 0.00 C ATOM 1255 CG LEU A 85 -2.670 -10.209 -5.066 1.00 0.00 C ATOM 1256 CD1 LEU A 85 -1.180 -9.932 -4.943 1.00 0.00 C ATOM 1257 CD2 LEU A 85 -2.950 -11.699 -4.930 1.00 0.00 C ATOM 0 H LEU A 85 -2.967 -6.656 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.951 -7.939 -5.492 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.852 -9.368 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.356 -9.976 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.998 -9.886 -6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.640 -10.503 -5.698 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.994 -8.868 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.836 -10.226 -3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.385 -12.246 -5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.650 -12.036 -3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.015 -11.883 -5.070 1.00 0.00 H new ATOM 1269 N SER A 86 -6.280 -8.049 -4.452 1.00 0.00 N ATOM 1270 CA SER A 86 -7.627 -7.777 -3.963 1.00 0.00 C ATOM 1271 C SER A 86 -7.955 -8.654 -2.759 1.00 0.00 C ATOM 1272 O SER A 86 -8.386 -8.161 -1.717 1.00 0.00 O ATOM 1273 CB SER A 86 -8.652 -8.012 -5.074 1.00 0.00 C ATOM 1274 OG SER A 86 -8.853 -6.837 -5.839 1.00 0.00 O ATOM 0 H SER A 86 -6.246 -8.563 -5.332 1.00 0.00 H new ATOM 0 HA SER A 86 -7.671 -6.733 -3.653 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.311 -8.818 -5.723 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.598 -8.332 -4.638 1.00 0.00 H new ATOM 0 HG SER A 86 -9.511 -7.014 -6.543 1.00 0.00 H new