USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 22 THR OG1 : rot -57:sc= 0.0404 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.101 K(o=0.14,f=-4.2!) USER MOD Set 2.1: A 7 THR OG1 : rot 122:sc= 0.452 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.00583 USER MOD Single : A 1 MET CE :methyl -176:sc= -0.563 (180deg=-0.646) USER MOD Single : A 1 MET N :NH3+ 164:sc= -0.512 (180deg=-1.62!) USER MOD Single : A 2 GLN : amide:sc= -0.0525 K(o=-0.052,f=-1.2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -158:sc= -0.0508 (180deg=-0.404) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -51:sc= 0.0769 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0528 USER MOD Single : A 27 LYS NZ :NH3+ -127:sc= 0.388 (180deg=0.07) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.603 K(o=-0.6,f=-2.8!) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0213) USER MOD Single : A 40 GLN : amide:sc= -7.3! C(o=-7.3!,f=-13!) USER MOD Single : A 41 GLN : amide:sc= -4.77! C(o=-4.8!,f=-7.9!) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc=-0.00339 (180deg=-0.0934) USER MOD Single : A 49 GLN : amide:sc= -1.31 K(o=-1.3,f=-2.9!) USER MOD Single : A 55 THR OG1 : rot -66:sc= -2.83! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 25:sc= -1.38 USER MOD Single : A 60 ASN : amide:sc= -5.68! C(o=-5.7!,f=-5.1!) USER MOD Single : A 62 GLN : amide:sc= -0.372 K(o=-0.37,f=-3.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 88:sc= 1.21 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.87! K(o=-1.9!,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.705 -19.897 -1.957 1.00 0.00 N ATOM 2 CA MET A 1 3.571 -19.458 -3.083 1.00 0.00 C ATOM 3 C MET A 1 4.407 -18.243 -2.694 1.00 0.00 C ATOM 4 O MET A 1 4.085 -17.534 -1.740 1.00 0.00 O ATOM 5 CB MET A 1 2.679 -19.124 -4.281 1.00 0.00 C ATOM 6 CG MET A 1 1.450 -18.306 -3.916 1.00 0.00 C ATOM 7 SD MET A 1 0.071 -18.583 -5.044 1.00 0.00 S ATOM 8 CE MET A 1 -0.975 -17.185 -4.649 1.00 0.00 C ATOM 0 H1 MET A 1 1.965 -20.533 -2.316 1.00 0.00 H new ATOM 0 H2 MET A 1 3.281 -20.399 -1.251 1.00 0.00 H new ATOM 0 H3 MET A 1 2.263 -19.066 -1.515 1.00 0.00 H new ATOM 0 HA MET A 1 4.261 -20.262 -3.340 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.265 -18.575 -5.018 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.360 -20.052 -4.755 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.140 -18.556 -2.901 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.709 -17.247 -3.918 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.904 -17.254 -5.215 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.199 -17.188 -3.582 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.460 -16.260 -4.909 1.00 0.00 H new ATOM 20 N GLN A 2 5.482 -18.007 -3.440 1.00 0.00 N ATOM 21 CA GLN A 2 6.364 -16.878 -3.173 1.00 0.00 C ATOM 22 C GLN A 2 6.100 -15.737 -4.150 1.00 0.00 C ATOM 23 O GLN A 2 6.568 -15.761 -5.288 1.00 0.00 O ATOM 24 CB GLN A 2 7.828 -17.314 -3.263 1.00 0.00 C ATOM 25 CG GLN A 2 8.626 -17.034 -2.000 1.00 0.00 C ATOM 26 CD GLN A 2 10.119 -17.199 -2.205 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.630 -17.013 -3.309 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.827 -17.549 -1.138 1.00 0.00 N ATOM 0 H GLN A 2 5.762 -18.583 -4.234 1.00 0.00 H new ATOM 0 HA GLN A 2 6.160 -16.522 -2.163 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.868 -18.382 -3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.300 -16.802 -4.102 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.419 -16.019 -1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.295 -17.707 -1.209 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.362 -17.693 -0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.836 -17.674 -1.214 1.00 0.00 H new ATOM 37 N LEU A 3 5.347 -14.740 -3.697 1.00 0.00 N ATOM 38 CA LEU A 3 5.020 -13.590 -4.530 1.00 0.00 C ATOM 39 C LEU A 3 5.976 -12.432 -4.259 1.00 0.00 C ATOM 40 O LEU A 3 6.674 -12.416 -3.245 1.00 0.00 O ATOM 41 CB LEU A 3 3.578 -13.145 -4.277 1.00 0.00 C ATOM 42 CG LEU A 3 2.553 -14.278 -4.207 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.191 -13.743 -3.794 1.00 0.00 C ATOM 44 CD2 LEU A 3 2.462 -14.996 -5.545 1.00 0.00 C ATOM 0 H LEU A 3 4.952 -14.706 -2.757 1.00 0.00 H new ATOM 0 HA LEU A 3 5.124 -13.887 -5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.545 -12.588 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.282 -12.457 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 3 2.882 -14.993 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.476 -14.564 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.266 -13.274 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.853 -13.006 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.728 -15.799 -5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.157 -14.290 -6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.436 -15.414 -5.800 1.00 0.00 H new ATOM 56 N PHE A 4 6.003 -11.467 -5.172 1.00 0.00 N ATOM 57 CA PHE A 4 6.875 -10.306 -5.032 1.00 0.00 C ATOM 58 C PHE A 4 6.059 -9.033 -4.842 1.00 0.00 C ATOM 59 O PHE A 4 4.880 -8.980 -5.194 1.00 0.00 O ATOM 60 CB PHE A 4 7.779 -10.171 -6.258 1.00 0.00 C ATOM 61 CG PHE A 4 8.721 -11.326 -6.441 1.00 0.00 C ATOM 62 CD1 PHE A 4 8.233 -12.619 -6.597 1.00 0.00 C ATOM 63 CD2 PHE A 4 10.096 -11.122 -6.456 1.00 0.00 C ATOM 64 CE1 PHE A 4 9.100 -13.688 -6.766 1.00 0.00 C ATOM 65 CE2 PHE A 4 10.969 -12.187 -6.623 1.00 0.00 C ATOM 66 CZ PHE A 4 10.469 -13.471 -6.779 1.00 0.00 C ATOM 0 H PHE A 4 5.431 -11.466 -6.017 1.00 0.00 H new ATOM 0 HA PHE A 4 7.495 -10.452 -4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.158 -10.075 -7.148 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.358 -9.251 -6.173 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.167 -12.792 -6.586 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.489 -10.123 -6.336 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.709 -14.688 -6.887 1.00 0.00 H new ATOM 0 HE2 PHE A 4 12.035 -12.017 -6.632 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.146 -14.302 -6.911 1.00 0.00 H new ATOM 76 N VAL A 5 6.692 -8.007 -4.284 1.00 0.00 N ATOM 77 CA VAL A 5 6.024 -6.732 -4.047 1.00 0.00 C ATOM 78 C VAL A 5 6.972 -5.562 -4.282 1.00 0.00 C ATOM 79 O VAL A 5 7.856 -5.292 -3.469 1.00 0.00 O ATOM 80 CB VAL A 5 5.468 -6.648 -2.613 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.780 -5.312 -2.384 1.00 0.00 C ATOM 82 CG2 VAL A 5 4.515 -7.801 -2.342 1.00 0.00 C ATOM 0 H VAL A 5 7.667 -8.033 -3.987 1.00 0.00 H new ATOM 0 HA VAL A 5 5.197 -6.672 -4.754 1.00 0.00 H new ATOM 0 HB VAL A 5 6.301 -6.724 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.394 -5.271 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.496 -4.504 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.956 -5.201 -3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.132 -7.725 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.684 -7.759 -3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.044 -8.746 -2.461 1.00 0.00 H new ATOM 92 N LYS A 6 6.782 -4.869 -5.401 1.00 0.00 N ATOM 93 CA LYS A 6 7.622 -3.726 -5.743 1.00 0.00 C ATOM 94 C LYS A 6 6.967 -2.420 -5.308 1.00 0.00 C ATOM 95 O LYS A 6 5.742 -2.316 -5.252 1.00 0.00 O ATOM 96 CB LYS A 6 7.891 -3.699 -7.249 1.00 0.00 C ATOM 97 CG LYS A 6 6.662 -3.373 -8.081 1.00 0.00 C ATOM 98 CD LYS A 6 7.033 -3.038 -9.516 1.00 0.00 C ATOM 99 CE LYS A 6 7.486 -1.594 -9.653 1.00 0.00 C ATOM 100 NZ LYS A 6 8.000 -1.299 -11.018 1.00 0.00 N ATOM 0 H LYS A 6 6.055 -5.079 -6.085 1.00 0.00 H new ATOM 0 HA LYS A 6 8.569 -3.830 -5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.667 -2.962 -7.458 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.281 -4.669 -7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.978 -4.222 -8.070 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.132 -2.531 -7.635 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.829 -3.703 -9.852 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.175 -3.214 -10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.652 -0.929 -9.428 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.265 -1.387 -8.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.298 -0.304 -11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.812 -1.915 -11.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.249 -1.471 -11.717 1.00 0.00 H new ATOM 114 N THR A 7 7.792 -1.424 -5.003 1.00 0.00 N ATOM 115 CA THR A 7 7.293 -0.122 -4.573 1.00 0.00 C ATOM 116 C THR A 7 7.349 0.886 -5.717 1.00 0.00 C ATOM 117 O THR A 7 7.712 0.543 -6.842 1.00 0.00 O ATOM 118 CB THR A 7 8.106 0.392 -3.384 1.00 0.00 C ATOM 119 OG1 THR A 7 9.450 -0.049 -3.466 1.00 0.00 O ATOM 120 CG2 THR A 7 7.557 -0.054 -2.046 1.00 0.00 C ATOM 0 H THR A 7 8.809 -1.493 -5.045 1.00 0.00 H new ATOM 0 HA THR A 7 6.253 -0.241 -4.268 1.00 0.00 H new ATOM 0 HB THR A 7 8.043 1.479 -3.440 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.049 0.727 -3.474 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.180 0.345 -1.246 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.538 0.314 -1.930 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.557 -1.143 -1.997 1.00 0.00 H new ATOM 128 N LEU A 8 6.988 2.130 -5.421 1.00 0.00 N ATOM 129 CA LEU A 8 6.998 3.187 -6.425 1.00 0.00 C ATOM 130 C LEU A 8 8.384 3.813 -6.548 1.00 0.00 C ATOM 131 O LEU A 8 8.631 4.628 -7.436 1.00 0.00 O ATOM 132 CB LEU A 8 5.969 4.263 -6.075 1.00 0.00 C ATOM 133 CG LEU A 8 4.980 4.602 -7.192 1.00 0.00 C ATOM 134 CD1 LEU A 8 4.368 5.976 -6.963 1.00 0.00 C ATOM 135 CD2 LEU A 8 5.665 4.539 -8.548 1.00 0.00 C ATOM 0 H LEU A 8 6.685 2.431 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 8 6.736 2.741 -7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.407 3.936 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.499 5.172 -5.792 1.00 0.00 H new ATOM 0 HG LEU A 8 4.178 3.863 -7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.667 6.201 -7.767 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.841 5.985 -6.009 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.157 6.728 -6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.946 4.783 -9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.487 5.255 -8.574 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.054 3.534 -8.713 1.00 0.00 H new ATOM 147 N THR A 9 9.285 3.429 -5.649 1.00 0.00 N ATOM 148 CA THR A 9 10.645 3.955 -5.658 1.00 0.00 C ATOM 149 C THR A 9 11.591 3.004 -6.384 1.00 0.00 C ATOM 150 O THR A 9 12.419 3.431 -7.188 1.00 0.00 O ATOM 151 CB THR A 9 11.134 4.187 -4.227 1.00 0.00 C ATOM 152 OG1 THR A 9 10.857 3.061 -3.414 1.00 0.00 O ATOM 153 CG2 THR A 9 10.505 5.395 -3.570 1.00 0.00 C ATOM 0 H THR A 9 9.098 2.756 -4.906 1.00 0.00 H new ATOM 0 HA THR A 9 10.637 4.906 -6.190 1.00 0.00 H new ATOM 0 HB THR A 9 12.207 4.357 -4.311 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.179 3.228 -2.503 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.895 5.503 -2.558 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.743 6.288 -4.147 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.423 5.266 -3.531 1.00 0.00 H new ATOM 161 N GLY A 10 11.464 1.714 -6.093 1.00 0.00 N ATOM 162 CA GLY A 10 12.314 0.723 -6.727 1.00 0.00 C ATOM 163 C GLY A 10 12.774 -0.350 -5.759 1.00 0.00 C ATOM 164 O GLY A 10 13.915 -0.808 -5.826 1.00 0.00 O ATOM 0 H GLY A 10 10.788 1.337 -5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.772 0.257 -7.550 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.185 1.217 -7.157 1.00 0.00 H new ATOM 168 N LYS A 11 11.885 -0.752 -4.858 1.00 0.00 N ATOM 169 CA LYS A 11 12.206 -1.777 -3.872 1.00 0.00 C ATOM 170 C LYS A 11 11.267 -2.972 -4.004 1.00 0.00 C ATOM 171 O LYS A 11 10.096 -2.899 -3.628 1.00 0.00 O ATOM 172 CB LYS A 11 12.121 -1.199 -2.458 1.00 0.00 C ATOM 173 CG LYS A 11 13.343 -1.497 -1.604 1.00 0.00 C ATOM 174 CD LYS A 11 13.705 -2.972 -1.644 1.00 0.00 C ATOM 175 CE LYS A 11 12.786 -3.795 -0.756 1.00 0.00 C ATOM 176 NZ LYS A 11 12.962 -3.462 0.685 1.00 0.00 N ATOM 0 H LYS A 11 10.936 -0.384 -4.790 1.00 0.00 H new ATOM 0 HA LYS A 11 13.225 -2.117 -4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.988 -0.119 -2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.236 -1.599 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.187 -0.905 -1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.150 -1.197 -0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.643 -3.335 -2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.738 -3.103 -1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.750 -3.620 -1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.986 -4.855 -0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.627 -4.255 1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.969 -3.289 0.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.414 -2.608 0.914 1.00 0.00 H new ATOM 190 N THR A 12 11.787 -4.071 -4.540 1.00 0.00 N ATOM 191 CA THR A 12 10.994 -5.282 -4.721 1.00 0.00 C ATOM 192 C THR A 12 11.332 -6.319 -3.655 1.00 0.00 C ATOM 193 O THR A 12 12.494 -6.683 -3.474 1.00 0.00 O ATOM 194 CB THR A 12 11.234 -5.870 -6.112 1.00 0.00 C ATOM 195 OG1 THR A 12 11.077 -4.876 -7.110 1.00 0.00 O ATOM 196 CG2 THR A 12 10.298 -7.010 -6.450 1.00 0.00 C ATOM 0 H THR A 12 12.754 -4.148 -4.857 1.00 0.00 H new ATOM 0 HA THR A 12 9.942 -5.015 -4.622 1.00 0.00 H new ATOM 0 HB THR A 12 12.254 -6.253 -6.091 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.236 -5.271 -7.993 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.522 -7.381 -7.450 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.429 -7.815 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.267 -6.657 -6.417 1.00 0.00 H new ATOM 204 N LEU A 13 10.309 -6.790 -2.950 1.00 0.00 N ATOM 205 CA LEU A 13 10.497 -7.786 -1.901 1.00 0.00 C ATOM 206 C LEU A 13 9.802 -9.095 -2.262 1.00 0.00 C ATOM 207 O LEU A 13 9.289 -9.252 -3.370 1.00 0.00 O ATOM 208 CB LEU A 13 9.961 -7.261 -0.567 1.00 0.00 C ATOM 209 CG LEU A 13 8.484 -6.863 -0.574 1.00 0.00 C ATOM 210 CD1 LEU A 13 7.645 -7.911 0.139 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.298 -5.497 0.070 1.00 0.00 C ATOM 0 H LEU A 13 9.341 -6.498 -3.086 1.00 0.00 H new ATOM 0 HA LEU A 13 11.566 -7.978 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.112 -8.027 0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.553 -6.395 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 13 8.148 -6.803 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.597 -7.610 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.755 -8.870 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.981 -8.005 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.241 -5.229 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.651 -5.530 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.868 -4.752 -0.485 1.00 0.00 H new ATOM 223 N THR A 14 9.788 -10.032 -1.320 1.00 0.00 N ATOM 224 CA THR A 14 9.156 -11.327 -1.539 1.00 0.00 C ATOM 225 C THR A 14 8.570 -11.874 -0.241 1.00 0.00 C ATOM 226 O THR A 14 9.178 -11.762 0.823 1.00 0.00 O ATOM 227 CB THR A 14 10.166 -12.320 -2.114 1.00 0.00 C ATOM 228 OG1 THR A 14 10.518 -11.967 -3.440 1.00 0.00 O ATOM 229 CG2 THR A 14 9.656 -13.746 -2.138 1.00 0.00 C ATOM 0 H THR A 14 10.207 -9.918 -0.397 1.00 0.00 H new ATOM 0 HA THR A 14 8.344 -11.190 -2.253 1.00 0.00 H new ATOM 0 HB THR A 14 11.029 -12.271 -1.450 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.704 -11.828 -3.968 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.421 -14.399 -2.557 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.423 -14.066 -1.123 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.757 -13.800 -2.751 1.00 0.00 H new ATOM 237 N VAL A 15 7.383 -12.464 -0.338 1.00 0.00 N ATOM 238 CA VAL A 15 6.714 -13.029 0.828 1.00 0.00 C ATOM 239 C VAL A 15 5.986 -14.320 0.470 1.00 0.00 C ATOM 240 O VAL A 15 5.577 -14.516 -0.674 1.00 0.00 O ATOM 241 CB VAL A 15 5.706 -12.034 1.434 1.00 0.00 C ATOM 242 CG1 VAL A 15 6.417 -10.781 1.918 1.00 0.00 C ATOM 243 CG2 VAL A 15 4.625 -11.686 0.421 1.00 0.00 C ATOM 0 H VAL A 15 6.865 -12.563 -1.211 1.00 0.00 H new ATOM 0 HA VAL A 15 7.488 -13.244 1.565 1.00 0.00 H new ATOM 0 HB VAL A 15 5.229 -12.506 2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.688 -10.090 2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.149 -11.049 2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.924 -10.303 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.922 -10.982 0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.083 -11.234 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.095 -12.592 0.129 1.00 0.00 H new ATOM 253 N GLU A 16 5.829 -15.197 1.455 1.00 0.00 N ATOM 254 CA GLU A 16 5.151 -16.471 1.243 1.00 0.00 C ATOM 255 C GLU A 16 3.678 -16.375 1.629 1.00 0.00 C ATOM 256 O GLU A 16 3.333 -16.386 2.810 1.00 0.00 O ATOM 257 CB GLU A 16 5.831 -17.576 2.052 1.00 0.00 C ATOM 258 CG GLU A 16 6.524 -18.621 1.192 1.00 0.00 C ATOM 259 CD GLU A 16 6.310 -20.033 1.703 1.00 0.00 C ATOM 260 OE1 GLU A 16 5.210 -20.315 2.223 1.00 0.00 O ATOM 261 OE2 GLU A 16 7.241 -20.855 1.581 1.00 0.00 O ATOM 0 H GLU A 16 6.162 -15.050 2.408 1.00 0.00 H new ATOM 0 HA GLU A 16 5.215 -16.715 0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.563 -17.126 2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.086 -18.068 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.153 -18.549 0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.593 -18.409 1.159 1.00 0.00 H new ATOM 268 N LEU A 17 2.814 -16.281 0.623 1.00 0.00 N ATOM 269 CA LEU A 17 1.377 -16.183 0.855 1.00 0.00 C ATOM 270 C LEU A 17 0.614 -17.153 -0.041 1.00 0.00 C ATOM 271 O LEU A 17 0.959 -17.337 -1.208 1.00 0.00 O ATOM 272 CB LEU A 17 0.895 -14.753 0.605 1.00 0.00 C ATOM 273 CG LEU A 17 1.044 -13.801 1.794 1.00 0.00 C ATOM 274 CD1 LEU A 17 0.436 -12.445 1.469 1.00 0.00 C ATOM 275 CD2 LEU A 17 0.398 -14.395 3.036 1.00 0.00 C ATOM 0 H LEU A 17 3.084 -16.271 -0.361 1.00 0.00 H new ATOM 0 HA LEU A 17 1.183 -16.448 1.894 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.447 -14.343 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.155 -14.785 0.315 1.00 0.00 H new ATOM 0 HG LEU A 17 2.106 -13.661 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.551 -11.780 2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.945 -12.016 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.623 -12.566 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.513 -13.705 3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.662 -14.564 2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.879 -15.342 3.279 1.00 0.00 H new ATOM 287 N GLU A 18 -0.424 -17.770 0.513 1.00 0.00 N ATOM 288 CA GLU A 18 -1.236 -18.721 -0.237 1.00 0.00 C ATOM 289 C GLU A 18 -2.429 -18.026 -0.886 1.00 0.00 C ATOM 290 O GLU A 18 -2.923 -17.017 -0.383 1.00 0.00 O ATOM 291 CB GLU A 18 -1.723 -19.843 0.682 1.00 0.00 C ATOM 292 CG GLU A 18 -0.746 -20.191 1.786 1.00 0.00 C ATOM 293 CD GLU A 18 -1.334 -19.992 3.170 1.00 0.00 C ATOM 294 OE1 GLU A 18 -1.253 -18.861 3.693 1.00 0.00 O ATOM 295 OE2 GLU A 18 -1.875 -20.969 3.732 1.00 0.00 O ATOM 0 H GLU A 18 -0.723 -17.629 1.478 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.615 -19.149 -1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.673 -19.549 1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.914 -20.734 0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.432 -21.229 1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.147 -19.575 1.683 1.00 0.00 H new ATOM 302 N PRO A 19 -2.905 -18.564 -2.019 1.00 0.00 N ATOM 303 CA PRO A 19 -4.046 -17.999 -2.746 1.00 0.00 C ATOM 304 C PRO A 19 -5.239 -17.728 -1.835 1.00 0.00 C ATOM 305 O PRO A 19 -6.054 -16.847 -2.108 1.00 0.00 O ATOM 306 CB PRO A 19 -4.387 -19.087 -3.764 1.00 0.00 C ATOM 307 CG PRO A 19 -3.101 -19.805 -3.991 1.00 0.00 C ATOM 308 CD PRO A 19 -2.368 -19.767 -2.677 1.00 0.00 C ATOM 0 HA PRO A 19 -3.808 -17.034 -3.194 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.155 -19.760 -3.383 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.770 -18.658 -4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.278 -20.832 -4.309 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.519 -19.324 -4.777 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.555 -20.664 -2.087 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.290 -19.699 -2.821 1.00 0.00 H new ATOM 316 N SER A 20 -5.335 -18.492 -0.751 1.00 0.00 N ATOM 317 CA SER A 20 -6.429 -18.334 0.200 1.00 0.00 C ATOM 318 C SER A 20 -6.353 -16.979 0.897 1.00 0.00 C ATOM 319 O SER A 20 -7.371 -16.321 1.110 1.00 0.00 O ATOM 320 CB SER A 20 -6.399 -19.457 1.237 1.00 0.00 C ATOM 321 OG SER A 20 -5.471 -19.173 2.271 1.00 0.00 O ATOM 0 H SER A 20 -4.669 -19.226 -0.510 1.00 0.00 H new ATOM 0 HA SER A 20 -7.367 -18.386 -0.353 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.394 -19.589 1.663 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.132 -20.396 0.753 1.00 0.00 H new ATOM 0 HG SER A 20 -5.472 -19.906 2.922 1.00 0.00 H new ATOM 327 N ASP A 21 -5.139 -16.567 1.248 1.00 0.00 N ATOM 328 CA ASP A 21 -4.930 -15.290 1.920 1.00 0.00 C ATOM 329 C ASP A 21 -5.727 -14.183 1.238 1.00 0.00 C ATOM 330 O ASP A 21 -6.048 -14.275 0.053 1.00 0.00 O ATOM 331 CB ASP A 21 -3.443 -14.932 1.931 1.00 0.00 C ATOM 332 CG ASP A 21 -2.623 -15.894 2.768 1.00 0.00 C ATOM 333 OD1 ASP A 21 -2.517 -17.076 2.380 1.00 0.00 O ATOM 334 OD2 ASP A 21 -2.087 -15.465 3.811 1.00 0.00 O ATOM 0 H ASP A 21 -4.285 -17.099 1.078 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.279 -15.386 2.948 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.065 -14.931 0.909 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.318 -13.921 2.318 1.00 0.00 H new ATOM 339 N THR A 22 -6.044 -13.138 1.994 1.00 0.00 N ATOM 340 CA THR A 22 -6.805 -12.013 1.460 1.00 0.00 C ATOM 341 C THR A 22 -5.931 -10.768 1.349 1.00 0.00 C ATOM 342 O THR A 22 -4.872 -10.680 1.973 1.00 0.00 O ATOM 343 CB THR A 22 -8.015 -11.722 2.350 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.601 -11.253 3.621 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.898 -12.930 2.572 1.00 0.00 C ATOM 0 H THR A 22 -5.787 -13.046 2.977 1.00 0.00 H new ATOM 0 HA THR A 22 -7.151 -12.282 0.462 1.00 0.00 H new ATOM 0 HB THR A 22 -8.590 -10.964 1.818 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.011 -11.915 4.038 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.737 -12.655 3.211 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.274 -13.287 1.613 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.320 -13.720 3.052 1.00 0.00 H new ATOM 353 N VAL A 23 -6.381 -9.806 0.551 1.00 0.00 N ATOM 354 CA VAL A 23 -5.642 -8.566 0.361 1.00 0.00 C ATOM 355 C VAL A 23 -5.174 -8.003 1.698 1.00 0.00 C ATOM 356 O VAL A 23 -4.075 -7.458 1.803 1.00 0.00 O ATOM 357 CB VAL A 23 -6.494 -7.505 -0.360 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.652 -6.289 -0.711 1.00 0.00 C ATOM 359 CG2 VAL A 23 -7.138 -8.095 -1.606 1.00 0.00 C ATOM 0 H VAL A 23 -7.254 -9.862 0.026 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.777 -8.803 -0.258 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.288 -7.184 0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.273 -5.551 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.244 -5.853 0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.835 -6.589 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.736 -7.331 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.361 -8.446 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.778 -8.931 -1.324 1.00 0.00 H new ATOM 369 N GLU A 24 -6.013 -8.144 2.719 1.00 0.00 N ATOM 370 CA GLU A 24 -5.682 -7.654 4.051 1.00 0.00 C ATOM 371 C GLU A 24 -4.412 -8.322 4.567 1.00 0.00 C ATOM 372 O GLU A 24 -3.485 -7.650 5.019 1.00 0.00 O ATOM 373 CB GLU A 24 -6.838 -7.914 5.018 1.00 0.00 C ATOM 374 CG GLU A 24 -6.787 -7.056 6.271 1.00 0.00 C ATOM 375 CD GLU A 24 -6.447 -7.856 7.513 1.00 0.00 C ATOM 376 OE1 GLU A 24 -7.361 -8.495 8.076 1.00 0.00 O ATOM 377 OE2 GLU A 24 -5.267 -7.844 7.923 1.00 0.00 O ATOM 0 H GLU A 24 -6.926 -8.593 2.649 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.511 -6.579 3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.781 -7.733 4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.830 -8.965 5.307 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.046 -6.268 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.751 -6.567 6.411 1.00 0.00 H new ATOM 384 N ASN A 25 -4.375 -9.649 4.489 1.00 0.00 N ATOM 385 CA ASN A 25 -3.216 -10.406 4.942 1.00 0.00 C ATOM 386 C ASN A 25 -1.946 -9.883 4.282 1.00 0.00 C ATOM 387 O ASN A 25 -0.921 -9.698 4.940 1.00 0.00 O ATOM 388 CB ASN A 25 -3.395 -11.893 4.627 1.00 0.00 C ATOM 389 CG ASN A 25 -4.418 -12.555 5.528 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.382 -13.157 5.055 1.00 0.00 O ATOM 391 ND2 ASN A 25 -4.213 -12.448 6.836 1.00 0.00 N ATOM 0 H ASN A 25 -5.134 -10.220 4.117 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.126 -10.283 6.021 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.702 -12.007 3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.437 -12.402 4.734 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.868 -12.874 7.491 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.400 -11.940 7.185 1.00 0.00 H new ATOM 398 N LEU A 26 -2.023 -9.641 2.977 1.00 0.00 N ATOM 399 CA LEU A 26 -0.881 -9.133 2.227 1.00 0.00 C ATOM 400 C LEU A 26 -0.382 -7.824 2.830 1.00 0.00 C ATOM 401 O LEU A 26 0.802 -7.682 3.142 1.00 0.00 O ATOM 402 CB LEU A 26 -1.262 -8.922 0.760 1.00 0.00 C ATOM 403 CG LEU A 26 -0.221 -8.181 -0.080 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.169 -8.745 0.172 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.572 -8.266 -1.558 1.00 0.00 C ATOM 0 H LEU A 26 -2.863 -9.788 2.418 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.079 -9.869 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.447 -9.895 0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.200 -8.368 0.720 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.224 -7.132 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.896 -8.205 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.421 -8.633 1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.187 -9.802 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.179 -7.733 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.597 -9.311 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.550 -7.814 -1.726 1.00 0.00 H new ATOM 417 N LYS A 27 -1.293 -6.872 2.998 1.00 0.00 N ATOM 418 CA LYS A 27 -0.947 -5.577 3.570 1.00 0.00 C ATOM 419 C LYS A 27 -0.348 -5.748 4.961 1.00 0.00 C ATOM 420 O LYS A 27 0.721 -5.215 5.260 1.00 0.00 O ATOM 421 CB LYS A 27 -2.182 -4.677 3.641 1.00 0.00 C ATOM 422 CG LYS A 27 -2.916 -4.547 2.317 1.00 0.00 C ATOM 423 CD LYS A 27 -3.694 -3.243 2.236 1.00 0.00 C ATOM 424 CE LYS A 27 -3.704 -2.688 0.822 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.684 -1.578 0.668 1.00 0.00 N ATOM 0 H LYS A 27 -2.276 -6.973 2.746 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.205 -5.107 2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.868 -5.073 4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.880 -3.686 3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.200 -4.596 1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.599 -5.388 2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.718 -3.408 2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.252 -2.511 2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.707 -2.330 0.565 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.946 -3.486 0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.314 -1.780 -0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.248 -1.489 1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.176 -0.688 0.493 1.00 0.00 H new ATOM 439 N ALA A 28 -1.043 -6.502 5.809 1.00 0.00 N ATOM 440 CA ALA A 28 -0.576 -6.750 7.165 1.00 0.00 C ATOM 441 C ALA A 28 0.913 -7.072 7.174 1.00 0.00 C ATOM 442 O ALA A 28 1.671 -6.538 7.984 1.00 0.00 O ATOM 443 CB ALA A 28 -1.368 -7.884 7.799 1.00 0.00 C ATOM 0 H ALA A 28 -1.930 -6.950 5.579 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.733 -5.845 7.751 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.007 -8.058 8.813 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.424 -7.617 7.831 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.241 -8.791 7.208 1.00 0.00 H new ATOM 449 N LYS A 29 1.327 -7.944 6.260 1.00 0.00 N ATOM 450 CA LYS A 29 2.728 -8.333 6.155 1.00 0.00 C ATOM 451 C LYS A 29 3.594 -7.126 5.813 1.00 0.00 C ATOM 452 O LYS A 29 4.629 -6.893 6.439 1.00 0.00 O ATOM 453 CB LYS A 29 2.902 -9.420 5.093 1.00 0.00 C ATOM 454 CG LYS A 29 2.081 -10.670 5.362 1.00 0.00 C ATOM 455 CD LYS A 29 2.688 -11.508 6.476 1.00 0.00 C ATOM 456 CE LYS A 29 3.752 -12.455 5.944 1.00 0.00 C ATOM 457 NZ LYS A 29 3.667 -13.799 6.578 1.00 0.00 N ATOM 0 H LYS A 29 0.712 -8.394 5.582 1.00 0.00 H new ATOM 0 HA LYS A 29 3.046 -8.729 7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.623 -9.014 4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.956 -9.693 5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.064 -10.387 5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.015 -11.266 4.452 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.126 -10.852 7.228 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.904 -12.081 6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.641 -12.555 4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.739 -12.030 6.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.409 -14.414 6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.798 -13.707 7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.734 -14.216 6.384 1.00 0.00 H new ATOM 471 N ILE A 30 3.161 -6.357 4.818 1.00 0.00 N ATOM 472 CA ILE A 30 3.894 -5.170 4.397 1.00 0.00 C ATOM 473 C ILE A 30 4.050 -4.192 5.556 1.00 0.00 C ATOM 474 O ILE A 30 4.913 -3.313 5.531 1.00 0.00 O ATOM 475 CB ILE A 30 3.188 -4.457 3.229 1.00 0.00 C ATOM 476 CG1 ILE A 30 2.963 -5.430 2.070 1.00 0.00 C ATOM 477 CG2 ILE A 30 4.001 -3.256 2.770 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.073 -4.876 0.980 1.00 0.00 C ATOM 0 H ILE A 30 2.307 -6.535 4.290 1.00 0.00 H new ATOM 0 HA ILE A 30 4.877 -5.502 4.064 1.00 0.00 H new ATOM 0 HB ILE A 30 2.217 -4.102 3.574 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.928 -5.698 1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.521 -6.348 2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.488 -2.763 1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.113 -2.555 3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.985 -3.588 2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.958 -5.620 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.095 -4.634 1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.524 -3.974 0.565 1.00 0.00 H new ATOM 490 N GLN A 31 3.211 -4.354 6.573 1.00 0.00 N ATOM 491 CA GLN A 31 3.252 -3.491 7.747 1.00 0.00 C ATOM 492 C GLN A 31 4.327 -3.956 8.723 1.00 0.00 C ATOM 493 O GLN A 31 4.982 -3.144 9.375 1.00 0.00 O ATOM 494 CB GLN A 31 1.889 -3.475 8.441 1.00 0.00 C ATOM 495 CG GLN A 31 1.724 -2.333 9.432 1.00 0.00 C ATOM 496 CD GLN A 31 0.338 -2.289 10.046 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.354 -1.274 9.973 1.00 0.00 O ATOM 498 NE2 GLN A 31 -0.074 -3.396 10.655 1.00 0.00 N ATOM 0 H GLN A 31 2.492 -5.077 6.608 1.00 0.00 H new ATOM 0 HA GLN A 31 3.496 -2.481 7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.107 -3.405 7.685 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.745 -4.421 8.962 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.465 -2.435 10.225 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.924 -1.388 8.928 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.534 -4.214 10.691 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.998 -3.427 11.086 1.00 0.00 H new ATOM 507 N ASP A 32 4.504 -5.270 8.818 1.00 0.00 N ATOM 508 CA ASP A 32 5.501 -5.844 9.715 1.00 0.00 C ATOM 509 C ASP A 32 6.842 -6.014 9.006 1.00 0.00 C ATOM 510 O ASP A 32 7.860 -6.286 9.641 1.00 0.00 O ATOM 511 CB ASP A 32 5.020 -7.189 10.249 1.00 0.00 C ATOM 512 CG ASP A 32 4.838 -7.181 11.754 1.00 0.00 C ATOM 513 OD1 ASP A 32 5.278 -6.207 12.401 1.00 0.00 O ATOM 514 OD2 ASP A 32 4.256 -8.148 12.288 1.00 0.00 O ATOM 0 H ASP A 32 3.970 -5.957 8.285 1.00 0.00 H new ATOM 0 HA ASP A 32 5.639 -5.157 10.550 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.075 -7.449 9.773 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.738 -7.963 9.977 1.00 0.00 H new ATOM 519 N LYS A 33 6.832 -5.858 7.685 1.00 0.00 N ATOM 520 CA LYS A 33 8.049 -6.000 6.891 1.00 0.00 C ATOM 521 C LYS A 33 8.598 -4.639 6.472 1.00 0.00 C ATOM 522 O LYS A 33 9.719 -4.276 6.827 1.00 0.00 O ATOM 523 CB LYS A 33 7.774 -6.851 5.651 1.00 0.00 C ATOM 524 CG LYS A 33 7.989 -8.339 5.874 1.00 0.00 C ATOM 525 CD LYS A 33 9.464 -8.703 5.816 1.00 0.00 C ATOM 526 CE LYS A 33 10.055 -8.418 4.444 1.00 0.00 C ATOM 527 NZ LYS A 33 11.022 -7.287 4.480 1.00 0.00 N ATOM 0 H LYS A 33 5.997 -5.634 7.143 1.00 0.00 H new ATOM 0 HA LYS A 33 8.797 -6.495 7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.746 -6.685 5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.421 -6.516 4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.580 -8.626 6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.444 -8.904 5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.009 -8.139 6.572 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.589 -9.759 6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.556 -9.312 4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.252 -8.187 3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.299 -7.036 3.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.578 -6.465 4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.866 -7.569 5.019 1.00 0.00 H new ATOM 541 N GLU A 34 7.804 -3.893 5.710 1.00 0.00 N ATOM 542 CA GLU A 34 8.217 -2.576 5.239 1.00 0.00 C ATOM 543 C GLU A 34 7.821 -1.489 6.232 1.00 0.00 C ATOM 544 O GLU A 34 8.217 -0.332 6.092 1.00 0.00 O ATOM 545 CB GLU A 34 7.592 -2.281 3.873 1.00 0.00 C ATOM 546 CG GLU A 34 8.517 -2.576 2.703 1.00 0.00 C ATOM 547 CD GLU A 34 7.827 -2.416 1.362 1.00 0.00 C ATOM 548 OE1 GLU A 34 6.600 -2.182 1.348 1.00 0.00 O ATOM 549 OE2 GLU A 34 8.515 -2.525 0.325 1.00 0.00 O ATOM 0 H GLU A 34 6.873 -4.178 5.406 1.00 0.00 H new ATOM 0 HA GLU A 34 9.303 -2.579 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.682 -2.872 3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.297 -1.232 3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.377 -1.908 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.898 -3.593 2.793 1.00 0.00 H new ATOM 556 N GLY A 35 7.036 -1.866 7.236 1.00 0.00 N ATOM 557 CA GLY A 35 6.603 -0.907 8.235 1.00 0.00 C ATOM 558 C GLY A 35 5.607 0.093 7.683 1.00 0.00 C ATOM 559 O GLY A 35 5.581 1.250 8.104 1.00 0.00 O ATOM 0 H GLY A 35 6.693 -2.816 7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.153 -1.438 9.074 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.471 -0.374 8.624 1.00 0.00 H new ATOM 563 N ILE A 36 4.788 -0.351 6.734 1.00 0.00 N ATOM 564 CA ILE A 36 3.788 0.518 6.124 1.00 0.00 C ATOM 565 C ILE A 36 2.382 -0.049 6.298 1.00 0.00 C ATOM 566 O ILE A 36 2.086 -1.153 5.843 1.00 0.00 O ATOM 567 CB ILE A 36 4.063 0.717 4.621 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.541 1.038 4.388 1.00 0.00 C ATOM 569 CG2 ILE A 36 3.180 1.822 4.062 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.871 1.356 2.946 1.00 0.00 C ATOM 0 H ILE A 36 4.797 -1.305 6.372 1.00 0.00 H new ATOM 0 HA ILE A 36 3.854 1.480 6.633 1.00 0.00 H new ATOM 0 HB ILE A 36 3.826 -0.209 4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.823 1.886 5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.144 0.190 4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.386 1.950 2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.132 1.555 4.198 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.388 2.754 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.935 1.573 2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.621 0.501 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.295 2.223 2.624 1.00 0.00 H new ATOM 582 N PRO A 37 1.493 0.709 6.962 1.00 0.00 N ATOM 583 CA PRO A 37 0.109 0.284 7.198 1.00 0.00 C ATOM 584 C PRO A 37 -0.631 -0.007 5.898 1.00 0.00 C ATOM 585 O PRO A 37 -0.306 0.547 4.849 1.00 0.00 O ATOM 586 CB PRO A 37 -0.523 1.485 7.912 1.00 0.00 C ATOM 587 CG PRO A 37 0.626 2.243 8.483 1.00 0.00 C ATOM 588 CD PRO A 37 1.770 2.036 7.532 1.00 0.00 C ATOM 0 HA PRO A 37 0.061 -0.641 7.773 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.096 2.100 7.218 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.211 1.162 8.694 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.386 3.302 8.580 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.876 1.880 9.480 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.799 2.807 6.762 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.731 2.062 8.046 1.00 0.00 H new ATOM 596 N PRO A 38 -1.643 -0.887 5.954 1.00 0.00 N ATOM 597 CA PRO A 38 -2.437 -1.257 4.777 1.00 0.00 C ATOM 598 C PRO A 38 -3.040 -0.042 4.081 1.00 0.00 C ATOM 599 O PRO A 38 -3.027 0.052 2.853 1.00 0.00 O ATOM 600 CB PRO A 38 -3.542 -2.145 5.353 1.00 0.00 C ATOM 601 CG PRO A 38 -2.983 -2.670 6.631 1.00 0.00 C ATOM 602 CD PRO A 38 -2.091 -1.587 7.168 1.00 0.00 C ATOM 0 HA PRO A 38 -1.831 -1.750 4.017 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.456 -1.577 5.525 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.794 -2.956 4.669 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.779 -2.906 7.337 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.423 -3.590 6.463 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.629 -0.920 7.842 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.251 -1.998 7.729 1.00 0.00 H new ATOM 610 N ASP A 39 -3.570 0.884 4.872 1.00 0.00 N ATOM 611 CA ASP A 39 -4.180 2.094 4.330 1.00 0.00 C ATOM 612 C ASP A 39 -3.126 3.004 3.709 1.00 0.00 C ATOM 613 O ASP A 39 -3.435 3.841 2.861 1.00 0.00 O ATOM 614 CB ASP A 39 -4.937 2.845 5.427 1.00 0.00 C ATOM 615 CG ASP A 39 -6.377 2.389 5.555 1.00 0.00 C ATOM 616 OD1 ASP A 39 -6.704 1.304 5.030 1.00 0.00 O ATOM 617 OD2 ASP A 39 -7.177 3.117 6.181 1.00 0.00 O ATOM 0 H ASP A 39 -3.590 0.821 5.890 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.883 1.798 3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.427 2.701 6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.915 3.914 5.213 1.00 0.00 H new ATOM 622 N GLN A 40 -1.880 2.838 4.141 1.00 0.00 N ATOM 623 CA GLN A 40 -0.779 3.647 3.632 1.00 0.00 C ATOM 624 C GLN A 40 -0.136 2.999 2.409 1.00 0.00 C ATOM 625 O GLN A 40 0.914 3.442 1.942 1.00 0.00 O ATOM 626 CB GLN A 40 0.269 3.852 4.725 1.00 0.00 C ATOM 627 CG GLN A 40 -0.205 4.744 5.858 1.00 0.00 C ATOM 628 CD GLN A 40 -1.705 4.676 6.073 1.00 0.00 C ATOM 629 OE1 GLN A 40 -2.487 5.013 5.184 1.00 0.00 O ATOM 630 NE2 GLN A 40 -2.114 4.241 7.260 1.00 0.00 N ATOM 0 H GLN A 40 -1.608 2.150 4.843 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.182 4.614 3.331 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.553 2.881 5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.165 4.286 4.282 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.303 4.455 6.778 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.081 5.774 5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.431 3.972 7.968 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.111 4.176 7.463 1.00 0.00 H new ATOM 639 N GLN A 41 -0.769 1.951 1.893 1.00 0.00 N ATOM 640 CA GLN A 41 -0.250 1.248 0.723 1.00 0.00 C ATOM 641 C GLN A 41 -1.383 0.801 -0.193 1.00 0.00 C ATOM 642 O GLN A 41 -2.464 0.436 0.269 1.00 0.00 O ATOM 643 CB GLN A 41 0.582 0.040 1.150 1.00 0.00 C ATOM 644 CG GLN A 41 0.265 -0.443 2.552 1.00 0.00 C ATOM 645 CD GLN A 41 0.170 -1.953 2.644 1.00 0.00 C ATOM 646 OE1 GLN A 41 -0.064 -2.634 1.645 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.353 -2.485 3.847 1.00 0.00 N ATOM 0 H GLN A 41 -1.639 1.570 2.264 1.00 0.00 H new ATOM 0 HA GLN A 41 0.387 1.940 0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.414 -0.775 0.446 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.640 0.298 1.093 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.036 -0.089 3.237 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.677 -0.003 2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.545 -1.882 4.647 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.302 -3.496 3.971 1.00 0.00 H new ATOM 656 N ARG A 42 -1.128 0.834 -1.497 1.00 0.00 N ATOM 657 CA ARG A 42 -2.124 0.432 -2.483 1.00 0.00 C ATOM 658 C ARG A 42 -1.561 -0.635 -3.418 1.00 0.00 C ATOM 659 O ARG A 42 -0.542 -0.422 -4.076 1.00 0.00 O ATOM 660 CB ARG A 42 -2.588 1.643 -3.293 1.00 0.00 C ATOM 661 CG ARG A 42 -4.099 1.798 -3.346 1.00 0.00 C ATOM 662 CD ARG A 42 -4.504 3.075 -4.064 1.00 0.00 C ATOM 663 NE ARG A 42 -4.997 2.812 -5.413 1.00 0.00 N ATOM 664 CZ ARG A 42 -5.549 3.739 -6.188 1.00 0.00 C ATOM 665 NH1 ARG A 42 -5.677 4.983 -5.750 1.00 0.00 N ATOM 666 NH2 ARG A 42 -5.974 3.422 -7.404 1.00 0.00 N ATOM 0 H ARG A 42 -0.239 1.135 -1.896 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.978 0.012 -1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.154 2.545 -2.863 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.204 1.558 -4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.536 0.939 -3.855 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.501 1.806 -2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.277 3.585 -3.489 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.649 3.749 -4.116 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.913 1.864 -5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.351 5.231 -4.816 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.101 5.693 -6.347 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.877 2.466 -7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.398 4.135 -7.998 1.00 0.00 H new ATOM 680 N LEU A 43 -2.230 -1.781 -3.472 1.00 0.00 N ATOM 681 CA LEU A 43 -1.794 -2.880 -4.326 1.00 0.00 C ATOM 682 C LEU A 43 -2.482 -2.816 -5.686 1.00 0.00 C ATOM 683 O LEU A 43 -3.708 -2.760 -5.771 1.00 0.00 O ATOM 684 CB LEU A 43 -2.089 -4.223 -3.656 1.00 0.00 C ATOM 685 CG LEU A 43 -2.015 -4.217 -2.128 1.00 0.00 C ATOM 686 CD1 LEU A 43 -2.249 -5.614 -1.577 1.00 0.00 C ATOM 687 CD2 LEU A 43 -0.672 -3.675 -1.662 1.00 0.00 C ATOM 0 H LEU A 43 -3.076 -1.973 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.719 -2.786 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.085 -4.549 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.384 -4.963 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.800 -3.563 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.193 -5.590 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.235 -5.965 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.487 -6.290 -1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.637 -3.678 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.129 -4.303 -2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.545 -2.656 -2.026 1.00 0.00 H new ATOM 699 N ILE A 44 -1.682 -2.824 -6.748 1.00 0.00 N ATOM 700 CA ILE A 44 -2.213 -2.767 -8.103 1.00 0.00 C ATOM 701 C ILE A 44 -1.613 -3.864 -8.976 1.00 0.00 C ATOM 702 O ILE A 44 -0.441 -3.806 -9.347 1.00 0.00 O ATOM 703 CB ILE A 44 -1.940 -1.400 -8.758 1.00 0.00 C ATOM 704 CG1 ILE A 44 -2.246 -0.270 -7.774 1.00 0.00 C ATOM 705 CG2 ILE A 44 -2.764 -1.244 -10.027 1.00 0.00 C ATOM 706 CD1 ILE A 44 -3.727 -0.041 -7.558 1.00 0.00 C ATOM 0 H ILE A 44 -0.664 -2.869 -6.695 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.290 -2.916 -8.025 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.885 -1.347 -9.027 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.778 -0.497 -6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.794 0.652 -8.140 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.559 -0.273 -10.477 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.500 -2.033 -10.731 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.824 -1.314 -9.783 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.869 0.774 -6.849 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.197 0.217 -8.507 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.182 -0.949 -7.163 1.00 0.00 H new ATOM 718 N PHE A 45 -2.425 -4.866 -9.300 1.00 0.00 N ATOM 719 CA PHE A 45 -1.975 -5.978 -10.129 1.00 0.00 C ATOM 720 C PHE A 45 -2.715 -5.997 -11.462 1.00 0.00 C ATOM 721 O PHE A 45 -3.944 -6.027 -11.501 1.00 0.00 O ATOM 722 CB PHE A 45 -2.184 -7.304 -9.396 1.00 0.00 C ATOM 723 CG PHE A 45 -1.604 -8.488 -10.117 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.287 -8.468 -10.564 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.373 -9.622 -10.347 1.00 0.00 C ATOM 726 CE1 PHE A 45 0.251 -9.559 -11.228 1.00 0.00 C ATOM 727 CE2 PHE A 45 -1.841 -10.717 -11.011 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.527 -10.685 -11.452 1.00 0.00 C ATOM 0 H PHE A 45 -3.398 -4.930 -9.001 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.912 -5.844 -10.327 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.735 -7.237 -8.405 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.252 -7.465 -9.251 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.323 -7.593 -10.392 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.397 -9.651 -10.005 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.275 -9.532 -11.571 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.449 -11.593 -11.184 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.110 -11.536 -11.969 1.00 0.00 H new ATOM 738 N ALA A 46 -1.957 -5.977 -12.554 1.00 0.00 N ATOM 739 CA ALA A 46 -2.540 -5.992 -13.890 1.00 0.00 C ATOM 740 C ALA A 46 -3.539 -4.853 -14.064 1.00 0.00 C ATOM 741 O ALA A 46 -4.577 -5.018 -14.704 1.00 0.00 O ATOM 742 CB ALA A 46 -3.211 -7.331 -14.158 1.00 0.00 C ATOM 0 H ALA A 46 -0.937 -5.950 -12.539 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.737 -5.850 -14.613 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.642 -7.328 -15.159 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.473 -8.129 -14.083 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.000 -7.496 -13.424 1.00 0.00 H new ATOM 748 N GLY A 47 -3.218 -3.699 -13.489 1.00 0.00 N ATOM 749 CA GLY A 47 -4.098 -2.550 -13.592 1.00 0.00 C ATOM 750 C GLY A 47 -5.362 -2.712 -12.772 1.00 0.00 C ATOM 751 O GLY A 47 -6.289 -1.909 -12.881 1.00 0.00 O ATOM 0 H GLY A 47 -2.365 -3.539 -12.954 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.566 -1.658 -13.261 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.364 -2.393 -14.637 1.00 0.00 H new ATOM 755 N LYS A 48 -5.401 -3.755 -11.948 1.00 0.00 N ATOM 756 CA LYS A 48 -6.562 -4.020 -11.106 1.00 0.00 C ATOM 757 C LYS A 48 -6.191 -3.940 -9.629 1.00 0.00 C ATOM 758 O LYS A 48 -5.519 -4.826 -9.098 1.00 0.00 O ATOM 759 CB LYS A 48 -7.143 -5.399 -11.424 1.00 0.00 C ATOM 760 CG LYS A 48 -8.660 -5.409 -11.526 1.00 0.00 C ATOM 761 CD LYS A 48 -9.279 -6.341 -10.497 1.00 0.00 C ATOM 762 CE LYS A 48 -10.171 -7.382 -11.154 1.00 0.00 C ATOM 763 NZ LYS A 48 -11.325 -6.760 -11.860 1.00 0.00 N ATOM 0 H LYS A 48 -4.643 -4.429 -11.846 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.314 -3.259 -11.315 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.721 -5.754 -12.364 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.834 -6.102 -10.650 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.043 -4.399 -11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.957 -5.721 -12.527 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.490 -6.840 -9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.862 -5.760 -9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.585 -7.967 -11.863 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.539 -8.074 -10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.058 -7.479 -12.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.718 -5.995 -11.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.006 -6.372 -12.771 1.00 0.00 H new ATOM 777 N GLN A 49 -6.631 -2.874 -8.970 1.00 0.00 N ATOM 778 CA GLN A 49 -6.346 -2.677 -7.555 1.00 0.00 C ATOM 779 C GLN A 49 -7.027 -3.747 -6.707 1.00 0.00 C ATOM 780 O GLN A 49 -8.207 -4.044 -6.894 1.00 0.00 O ATOM 781 CB GLN A 49 -6.805 -1.288 -7.108 1.00 0.00 C ATOM 782 CG GLN A 49 -6.500 -0.984 -5.651 1.00 0.00 C ATOM 783 CD GLN A 49 -7.728 -1.078 -4.767 1.00 0.00 C ATOM 784 OE1 GLN A 49 -8.856 -1.143 -5.256 1.00 0.00 O ATOM 785 NE2 GLN A 49 -7.514 -1.087 -3.456 1.00 0.00 N ATOM 0 H GLN A 49 -7.187 -2.132 -9.395 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.268 -2.759 -7.414 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.325 -0.537 -7.735 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.879 -1.200 -7.271 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.742 -1.679 -5.289 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.077 0.017 -5.573 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.562 -1.031 -3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.302 -1.150 -2.811 1.00 0.00 H new ATOM 794 N LEU A 50 -6.275 -4.323 -5.775 1.00 0.00 N ATOM 795 CA LEU A 50 -6.806 -5.360 -4.897 1.00 0.00 C ATOM 796 C LEU A 50 -7.832 -4.780 -3.929 1.00 0.00 C ATOM 797 O LEU A 50 -7.607 -3.732 -3.325 1.00 0.00 O ATOM 798 CB LEU A 50 -5.671 -6.026 -4.115 1.00 0.00 C ATOM 799 CG LEU A 50 -4.558 -6.629 -4.974 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.876 -7.771 -4.236 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.114 -7.110 -6.306 1.00 0.00 C ATOM 0 H LEU A 50 -5.296 -4.090 -5.608 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.300 -6.108 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.231 -5.288 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.094 -6.813 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.816 -5.855 -5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.087 -8.189 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.444 -7.398 -3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.608 -8.546 -4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.308 -7.536 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.875 -7.870 -6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.557 -6.269 -6.840 1.00 0.00 H new ATOM 813 N GLU A 51 -8.959 -5.470 -3.786 1.00 0.00 N ATOM 814 CA GLU A 51 -10.020 -5.024 -2.890 1.00 0.00 C ATOM 815 C GLU A 51 -9.997 -5.811 -1.584 1.00 0.00 C ATOM 816 O GLU A 51 -10.171 -7.030 -1.580 1.00 0.00 O ATOM 817 CB GLU A 51 -11.384 -5.174 -3.566 1.00 0.00 C ATOM 818 CG GLU A 51 -11.605 -4.202 -4.714 1.00 0.00 C ATOM 819 CD GLU A 51 -12.009 -4.898 -5.998 1.00 0.00 C ATOM 820 OE1 GLU A 51 -13.222 -5.125 -6.194 1.00 0.00 O ATOM 821 OE2 GLU A 51 -11.113 -5.218 -6.807 1.00 0.00 O ATOM 0 H GLU A 51 -9.161 -6.340 -4.279 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.849 -3.972 -2.661 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.485 -6.193 -3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.167 -5.028 -2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.378 -3.486 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.691 -3.634 -4.885 1.00 0.00 H new ATOM 828 N ASP A 52 -9.781 -5.108 -0.478 1.00 0.00 N ATOM 829 CA ASP A 52 -9.735 -5.741 0.835 1.00 0.00 C ATOM 830 C ASP A 52 -10.905 -6.700 1.018 1.00 0.00 C ATOM 831 O ASP A 52 -12.014 -6.442 0.550 1.00 0.00 O ATOM 832 CB ASP A 52 -9.755 -4.681 1.937 1.00 0.00 C ATOM 833 CG ASP A 52 -8.753 -4.972 3.037 1.00 0.00 C ATOM 834 OD1 ASP A 52 -8.829 -6.067 3.635 1.00 0.00 O ATOM 835 OD2 ASP A 52 -7.893 -4.106 3.302 1.00 0.00 O ATOM 0 H ASP A 52 -9.635 -4.099 -0.464 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.807 -6.309 0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.540 -3.705 1.502 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.756 -4.626 2.366 1.00 0.00 H new ATOM 840 N GLY A 53 -10.650 -7.810 1.704 1.00 0.00 N ATOM 841 CA GLY A 53 -11.691 -8.791 1.939 1.00 0.00 C ATOM 842 C GLY A 53 -11.709 -9.884 0.888 1.00 0.00 C ATOM 843 O GLY A 53 -12.324 -10.931 1.082 1.00 0.00 O ATOM 0 H GLY A 53 -9.741 -8.047 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.548 -9.239 2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.660 -8.291 1.955 1.00 0.00 H new ATOM 847 N ARG A 54 -11.032 -9.639 -0.230 1.00 0.00 N ATOM 848 CA ARG A 54 -10.973 -10.609 -1.316 1.00 0.00 C ATOM 849 C ARG A 54 -9.750 -11.511 -1.176 1.00 0.00 C ATOM 850 O ARG A 54 -8.849 -11.233 -0.385 1.00 0.00 O ATOM 851 CB ARG A 54 -10.941 -9.892 -2.667 1.00 0.00 C ATOM 852 CG ARG A 54 -12.051 -8.870 -2.838 1.00 0.00 C ATOM 853 CD ARG A 54 -13.362 -9.531 -3.231 1.00 0.00 C ATOM 854 NE ARG A 54 -14.425 -9.257 -2.268 1.00 0.00 N ATOM 855 CZ ARG A 54 -15.682 -9.656 -2.426 1.00 0.00 C ATOM 856 NH1 ARG A 54 -16.031 -10.341 -3.506 1.00 0.00 N ATOM 857 NH2 ARG A 54 -16.591 -9.369 -1.504 1.00 0.00 N ATOM 0 H ARG A 54 -10.517 -8.777 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.867 -11.230 -1.263 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.978 -9.394 -2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.014 -10.632 -3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -12.185 -8.318 -1.908 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.765 -8.145 -3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.665 -9.176 -4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.215 -10.608 -3.311 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.189 -8.730 -1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.334 -10.562 -4.217 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.997 -10.647 -3.626 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.325 -8.841 -0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.556 -9.676 -1.626 1.00 0.00 H new ATOM 871 N THR A 55 -9.729 -12.592 -1.948 1.00 0.00 N ATOM 872 CA THR A 55 -8.617 -13.536 -1.909 1.00 0.00 C ATOM 873 C THR A 55 -7.736 -13.390 -3.145 1.00 0.00 C ATOM 874 O THR A 55 -8.201 -12.968 -4.204 1.00 0.00 O ATOM 875 CB THR A 55 -9.141 -14.970 -1.808 1.00 0.00 C ATOM 876 OG1 THR A 55 -9.893 -15.311 -2.957 1.00 0.00 O ATOM 877 CG2 THR A 55 -10.020 -15.202 -0.598 1.00 0.00 C ATOM 0 H THR A 55 -10.468 -12.837 -2.607 1.00 0.00 H new ATOM 0 HA THR A 55 -8.015 -13.314 -1.028 1.00 0.00 H new ATOM 0 HB THR A 55 -8.253 -15.596 -1.717 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.709 -14.769 -2.986 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.358 -16.238 -0.587 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.452 -14.996 0.309 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.884 -14.539 -0.644 1.00 0.00 H new ATOM 885 N LEU A 56 -6.463 -13.744 -3.003 1.00 0.00 N ATOM 886 CA LEU A 56 -5.516 -13.654 -4.108 1.00 0.00 C ATOM 887 C LEU A 56 -5.946 -14.545 -5.269 1.00 0.00 C ATOM 888 O LEU A 56 -5.805 -14.175 -6.434 1.00 0.00 O ATOM 889 CB LEU A 56 -4.114 -14.049 -3.641 1.00 0.00 C ATOM 890 CG LEU A 56 -3.559 -13.218 -2.484 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.295 -13.854 -1.927 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.286 -11.791 -2.936 1.00 0.00 C ATOM 0 H LEU A 56 -6.063 -14.096 -2.133 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.499 -12.620 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.129 -15.097 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.430 -13.969 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.306 -13.190 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.915 -13.248 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.521 -14.857 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.541 -13.914 -2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.891 -11.214 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.558 -11.799 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.213 -11.336 -3.285 1.00 0.00 H new ATOM 904 N SER A 57 -6.472 -15.721 -4.942 1.00 0.00 N ATOM 905 CA SER A 57 -6.923 -16.665 -5.959 1.00 0.00 C ATOM 906 C SER A 57 -8.015 -16.048 -6.827 1.00 0.00 C ATOM 907 O SER A 57 -8.228 -16.466 -7.964 1.00 0.00 O ATOM 908 CB SER A 57 -7.438 -17.947 -5.303 1.00 0.00 C ATOM 909 OG SER A 57 -7.958 -18.842 -6.270 1.00 0.00 O ATOM 0 H SER A 57 -6.596 -16.043 -3.982 1.00 0.00 H new ATOM 0 HA SER A 57 -6.073 -16.909 -6.596 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.628 -18.429 -4.755 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.213 -17.701 -4.577 1.00 0.00 H new ATOM 0 HG SER A 57 -8.279 -19.654 -5.825 1.00 0.00 H new ATOM 915 N ASP A 58 -8.705 -15.052 -6.281 1.00 0.00 N ATOM 916 CA ASP A 58 -9.776 -14.376 -7.005 1.00 0.00 C ATOM 917 C ASP A 58 -9.213 -13.518 -8.133 1.00 0.00 C ATOM 918 O ASP A 58 -9.845 -13.353 -9.176 1.00 0.00 O ATOM 919 CB ASP A 58 -10.597 -13.509 -6.050 1.00 0.00 C ATOM 920 CG ASP A 58 -11.244 -14.319 -4.943 1.00 0.00 C ATOM 921 OD1 ASP A 58 -11.376 -15.550 -5.109 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.617 -13.723 -3.911 1.00 0.00 O ATOM 0 H ASP A 58 -8.542 -14.695 -5.340 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.423 -15.137 -7.441 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.953 -12.748 -5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.370 -12.986 -6.613 1.00 0.00 H new ATOM 927 N TYR A 59 -8.021 -12.973 -7.917 1.00 0.00 N ATOM 928 CA TYR A 59 -7.372 -12.131 -8.916 1.00 0.00 C ATOM 929 C TYR A 59 -6.343 -12.925 -9.712 1.00 0.00 C ATOM 930 O TYR A 59 -5.316 -12.389 -10.129 1.00 0.00 O ATOM 931 CB TYR A 59 -6.701 -10.933 -8.245 1.00 0.00 C ATOM 932 CG TYR A 59 -7.645 -10.098 -7.408 1.00 0.00 C ATOM 933 CD1 TYR A 59 -8.701 -9.406 -7.998 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.481 -10.001 -6.027 1.00 0.00 C ATOM 935 CE1 TYR A 59 -9.569 -8.640 -7.235 1.00 0.00 C ATOM 936 CE2 TYR A 59 -8.345 -9.239 -5.257 1.00 0.00 C ATOM 937 CZ TYR A 59 -9.386 -8.561 -5.866 1.00 0.00 C ATOM 938 OH TYR A 59 -10.246 -7.802 -5.105 1.00 0.00 O ATOM 0 H TYR A 59 -7.484 -13.099 -7.059 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.137 -11.772 -9.604 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.888 -11.290 -7.613 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.254 -10.301 -9.012 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.846 -9.467 -9.067 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.668 -10.528 -5.550 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.383 -8.109 -7.706 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.207 -9.175 -4.188 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.107 -7.723 -5.566 1.00 0.00 H new ATOM 948 N ASN A 60 -6.625 -14.207 -9.920 1.00 0.00 N ATOM 949 CA ASN A 60 -5.722 -15.076 -10.667 1.00 0.00 C ATOM 950 C ASN A 60 -4.271 -14.819 -10.277 1.00 0.00 C ATOM 951 O ASN A 60 -3.456 -14.415 -11.106 1.00 0.00 O ATOM 952 CB ASN A 60 -5.904 -14.860 -12.171 1.00 0.00 C ATOM 953 CG ASN A 60 -5.344 -13.530 -12.636 1.00 0.00 C ATOM 954 OD1 ASN A 60 -4.209 -13.451 -13.107 1.00 0.00 O ATOM 955 ND2 ASN A 60 -6.140 -12.475 -12.504 1.00 0.00 N ATOM 0 H ASN A 60 -7.470 -14.667 -9.582 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.966 -16.110 -10.422 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.412 -15.668 -12.713 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.965 -14.910 -12.417 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.818 -11.553 -12.798 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.073 -12.587 -12.108 1.00 0.00 H new ATOM 962 N LEU A 61 -3.954 -15.055 -9.008 1.00 0.00 N ATOM 963 CA LEU A 61 -2.600 -14.850 -8.508 1.00 0.00 C ATOM 964 C LEU A 61 -1.776 -16.128 -8.625 1.00 0.00 C ATOM 965 O LEU A 61 -2.034 -17.110 -7.929 1.00 0.00 O ATOM 966 CB LEU A 61 -2.638 -14.384 -7.050 1.00 0.00 C ATOM 967 CG LEU A 61 -2.639 -12.867 -6.856 1.00 0.00 C ATOM 968 CD1 LEU A 61 -1.217 -12.346 -6.727 1.00 0.00 C ATOM 969 CD2 LEU A 61 -3.358 -12.183 -8.009 1.00 0.00 C ATOM 0 H LEU A 61 -4.616 -15.388 -8.308 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.128 -14.079 -9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.529 -14.796 -6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.777 -14.801 -6.528 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.173 -12.637 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.237 -11.265 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.735 -12.812 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.658 -12.587 -7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.349 -11.104 -7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.852 -12.420 -8.945 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.389 -12.535 -8.055 1.00 0.00 H new ATOM 981 N GLN A 62 -0.785 -16.108 -9.509 1.00 0.00 N ATOM 982 CA GLN A 62 0.078 -17.265 -9.717 1.00 0.00 C ATOM 983 C GLN A 62 1.391 -17.110 -8.958 1.00 0.00 C ATOM 984 O GLN A 62 1.596 -16.125 -8.248 1.00 0.00 O ATOM 985 CB GLN A 62 0.355 -17.458 -11.209 1.00 0.00 C ATOM 986 CG GLN A 62 -0.889 -17.360 -12.077 1.00 0.00 C ATOM 987 CD GLN A 62 -1.042 -18.544 -13.011 1.00 0.00 C ATOM 988 OE1 GLN A 62 -0.198 -19.440 -13.039 1.00 0.00 O ATOM 989 NE2 GLN A 62 -2.122 -18.554 -13.783 1.00 0.00 N ATOM 0 H GLN A 62 -0.559 -15.303 -10.093 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.438 -18.145 -9.334 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.076 -16.709 -11.536 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.818 -18.433 -11.361 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.769 -17.290 -11.438 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.847 -16.442 -12.663 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.796 -17.790 -13.727 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.278 -19.325 -14.432 1.00 0.00 H new ATOM 998 N LYS A 63 2.277 -18.088 -9.113 1.00 0.00 N ATOM 999 CA LYS A 63 3.572 -18.061 -8.441 1.00 0.00 C ATOM 1000 C LYS A 63 4.532 -17.109 -9.147 1.00 0.00 C ATOM 1001 O LYS A 63 4.627 -17.104 -10.375 1.00 0.00 O ATOM 1002 CB LYS A 63 4.173 -19.466 -8.391 1.00 0.00 C ATOM 1003 CG LYS A 63 4.805 -19.810 -7.052 1.00 0.00 C ATOM 1004 CD LYS A 63 6.137 -20.519 -7.230 1.00 0.00 C ATOM 1005 CE LYS A 63 6.292 -21.668 -6.248 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.656 -21.710 -5.652 1.00 0.00 N ATOM 0 H LYS A 63 2.123 -18.909 -9.698 1.00 0.00 H new ATOM 0 HA LYS A 63 3.418 -17.703 -7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.393 -20.194 -8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.926 -19.558 -9.173 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.952 -18.898 -6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.127 -20.445 -6.481 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.216 -20.897 -8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.951 -19.807 -7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.552 -21.569 -5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.089 -22.610 -6.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.720 -22.508 -4.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.361 -21.830 -6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.840 -20.821 -5.144 1.00 0.00 H new ATOM 1020 N GLU A 64 5.243 -16.304 -8.363 1.00 0.00 N ATOM 1021 CA GLU A 64 6.196 -15.347 -8.912 1.00 0.00 C ATOM 1022 C GLU A 64 5.476 -14.155 -9.533 1.00 0.00 C ATOM 1023 O GLU A 64 5.864 -13.669 -10.596 1.00 0.00 O ATOM 1024 CB GLU A 64 7.083 -16.024 -9.958 1.00 0.00 C ATOM 1025 CG GLU A 64 7.618 -17.378 -9.518 1.00 0.00 C ATOM 1026 CD GLU A 64 7.793 -18.341 -10.676 1.00 0.00 C ATOM 1027 OE1 GLU A 64 8.313 -17.913 -11.728 1.00 0.00 O ATOM 1028 OE2 GLU A 64 7.411 -19.520 -10.530 1.00 0.00 O ATOM 0 H GLU A 64 5.177 -16.296 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 64 6.820 -14.984 -8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.513 -16.149 -10.879 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.923 -15.369 -10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.576 -17.240 -9.017 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.936 -17.814 -8.788 1.00 0.00 H new ATOM 1035 N SER A 65 4.428 -13.689 -8.864 1.00 0.00 N ATOM 1036 CA SER A 65 3.654 -12.553 -9.352 1.00 0.00 C ATOM 1037 C SER A 65 4.320 -11.236 -8.965 1.00 0.00 C ATOM 1038 O SER A 65 5.215 -11.207 -8.120 1.00 0.00 O ATOM 1039 CB SER A 65 2.231 -12.600 -8.793 1.00 0.00 C ATOM 1040 OG SER A 65 1.571 -13.795 -9.177 1.00 0.00 O ATOM 0 H SER A 65 4.095 -14.080 -7.983 1.00 0.00 H new ATOM 0 HA SER A 65 3.612 -12.614 -10.439 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.262 -12.531 -7.706 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.668 -11.738 -9.151 1.00 0.00 H new ATOM 0 HG SER A 65 1.766 -14.500 -8.525 1.00 0.00 H new ATOM 1046 N THR A 66 3.878 -10.150 -9.588 1.00 0.00 N ATOM 1047 CA THR A 66 4.432 -8.830 -9.309 1.00 0.00 C ATOM 1048 C THR A 66 3.327 -7.841 -8.952 1.00 0.00 C ATOM 1049 O THR A 66 2.439 -7.569 -9.761 1.00 0.00 O ATOM 1050 CB THR A 66 5.221 -8.319 -10.515 1.00 0.00 C ATOM 1051 OG1 THR A 66 6.219 -9.250 -10.894 1.00 0.00 O ATOM 1052 CG2 THR A 66 5.904 -6.992 -10.264 1.00 0.00 C ATOM 0 H THR A 66 3.138 -10.157 -10.290 1.00 0.00 H new ATOM 0 HA THR A 66 5.105 -8.919 -8.456 1.00 0.00 H new ATOM 0 HB THR A 66 4.484 -8.187 -11.307 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.711 -8.905 -11.668 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.446 -6.687 -11.159 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.156 -6.238 -10.018 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.603 -7.094 -9.434 1.00 0.00 H new ATOM 1060 N ILE A 67 3.386 -7.309 -7.736 1.00 0.00 N ATOM 1061 CA ILE A 67 2.389 -6.350 -7.273 1.00 0.00 C ATOM 1062 C ILE A 67 3.008 -4.973 -7.062 1.00 0.00 C ATOM 1063 O ILE A 67 4.012 -4.831 -6.365 1.00 0.00 O ATOM 1064 CB ILE A 67 1.733 -6.814 -5.957 1.00 0.00 C ATOM 1065 CG1 ILE A 67 0.867 -8.051 -6.202 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.902 -5.691 -5.353 1.00 0.00 C ATOM 1067 CD1 ILE A 67 1.666 -9.294 -6.523 1.00 0.00 C ATOM 0 H ILE A 67 4.113 -7.525 -7.054 1.00 0.00 H new ATOM 0 HA ILE A 67 1.626 -6.287 -8.048 1.00 0.00 H new ATOM 0 HB ILE A 67 2.520 -7.078 -5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.258 -8.239 -5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.181 -7.847 -7.024 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.446 -6.035 -4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.543 -4.834 -5.147 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.121 -5.399 -6.055 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.987 -10.131 -6.685 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.255 -9.125 -7.424 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.333 -9.523 -5.692 1.00 0.00 H new ATOM 1079 N HIS A 68 2.401 -3.958 -7.671 1.00 0.00 N ATOM 1080 CA HIS A 68 2.891 -2.590 -7.550 1.00 0.00 C ATOM 1081 C HIS A 68 2.248 -1.885 -6.361 1.00 0.00 C ATOM 1082 O HIS A 68 1.046 -1.621 -6.358 1.00 0.00 O ATOM 1083 CB HIS A 68 2.607 -1.810 -8.835 1.00 0.00 C ATOM 1084 CG HIS A 68 3.069 -2.510 -10.076 1.00 0.00 C ATOM 1085 ND1 HIS A 68 3.500 -1.841 -11.202 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.168 -3.829 -10.364 1.00 0.00 C ATOM 1087 CE1 HIS A 68 3.842 -2.718 -12.129 1.00 0.00 C ATOM 1088 NE2 HIS A 68 3.651 -3.931 -11.646 1.00 0.00 N ATOM 0 H HIS A 68 1.569 -4.058 -8.253 1.00 0.00 H new ATOM 0 HA HIS A 68 3.968 -2.629 -7.387 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.535 -1.626 -8.909 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.094 -0.837 -8.774 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.914 -4.649 -9.708 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.215 -2.482 -13.115 1.00 0.00 H new ATOM 0 HE2 HIS A 68 3.832 -4.803 -12.144 1.00 0.00 H new ATOM 1097 N LEU A 69 3.058 -1.583 -5.350 1.00 0.00 N ATOM 1098 CA LEU A 69 2.567 -0.908 -4.155 1.00 0.00 C ATOM 1099 C LEU A 69 2.776 0.599 -4.256 1.00 0.00 C ATOM 1100 O LEU A 69 3.909 1.075 -4.315 1.00 0.00 O ATOM 1101 CB LEU A 69 3.274 -1.451 -2.911 1.00 0.00 C ATOM 1102 CG LEU A 69 2.766 -0.890 -1.582 1.00 0.00 C ATOM 1103 CD1 LEU A 69 3.148 -1.812 -0.434 1.00 0.00 C ATOM 1104 CD2 LEU A 69 3.315 0.510 -1.350 1.00 0.00 C ATOM 0 H LEU A 69 4.056 -1.795 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 69 1.498 -1.103 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.167 -2.536 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.340 -1.237 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 69 1.679 -0.829 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.779 -1.397 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.706 -2.796 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.233 -1.905 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.943 0.894 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.404 0.474 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.991 1.166 -2.158 1.00 0.00 H new ATOM 1116 N VAL A 70 1.676 1.343 -4.274 1.00 0.00 N ATOM 1117 CA VAL A 70 1.739 2.798 -4.368 1.00 0.00 C ATOM 1118 C VAL A 70 1.452 3.447 -3.020 1.00 0.00 C ATOM 1119 O VAL A 70 0.613 2.969 -2.255 1.00 0.00 O ATOM 1120 CB VAL A 70 0.743 3.351 -5.410 1.00 0.00 C ATOM 1121 CG1 VAL A 70 1.458 4.246 -6.409 1.00 0.00 C ATOM 1122 CG2 VAL A 70 0.014 2.220 -6.123 1.00 0.00 C ATOM 0 H VAL A 70 0.730 0.964 -4.225 1.00 0.00 H new ATOM 0 HA VAL A 70 2.752 3.044 -4.685 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.001 3.949 -4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.740 4.626 -7.136 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.920 5.082 -5.883 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.228 3.672 -6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.681 2.637 -6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.738 1.586 -6.635 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.537 1.626 -5.394 1.00 0.00 H new ATOM 1132 N LEU A 71 2.153 4.538 -2.734 1.00 0.00 N ATOM 1133 CA LEU A 71 1.973 5.257 -1.477 1.00 0.00 C ATOM 1134 C LEU A 71 0.644 6.004 -1.463 1.00 0.00 C ATOM 1135 O LEU A 71 0.612 7.233 -1.426 1.00 0.00 O ATOM 1136 CB LEU A 71 3.126 6.238 -1.257 1.00 0.00 C ATOM 1137 CG LEU A 71 3.277 6.751 0.176 1.00 0.00 C ATOM 1138 CD1 LEU A 71 2.513 8.054 0.358 1.00 0.00 C ATOM 1139 CD2 LEU A 71 2.799 5.705 1.171 1.00 0.00 C ATOM 0 H LEU A 71 2.852 4.945 -3.356 1.00 0.00 H new ATOM 0 HA LEU A 71 1.967 4.527 -0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.056 5.753 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.987 7.092 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 71 4.333 6.943 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.631 8.405 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.904 8.804 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.456 7.888 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.914 6.088 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.749 5.479 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.391 4.797 1.057 1.00 0.00 H new ATOM 1151 N ARG A 72 -0.452 5.252 -1.496 1.00 0.00 N ATOM 1152 CA ARG A 72 -1.785 5.843 -1.488 1.00 0.00 C ATOM 1153 C ARG A 72 -1.837 7.079 -2.379 1.00 0.00 C ATOM 1154 O ARG A 72 -1.462 8.175 -1.962 1.00 0.00 O ATOM 1155 CB ARG A 72 -2.194 6.212 -0.060 1.00 0.00 C ATOM 1156 CG ARG A 72 -3.569 6.854 0.030 1.00 0.00 C ATOM 1157 CD ARG A 72 -4.284 6.460 1.312 1.00 0.00 C ATOM 1158 NE ARG A 72 -4.722 7.626 2.074 1.00 0.00 N ATOM 1159 CZ ARG A 72 -5.320 7.549 3.258 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -5.552 6.367 3.812 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -5.688 8.656 3.890 1.00 0.00 N ATOM 0 H ARG A 72 -0.443 4.233 -1.529 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.485 5.105 -1.880 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.180 5.314 0.557 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.454 6.896 0.356 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.469 7.939 -0.014 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.169 6.554 -0.829 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.147 5.840 1.070 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.619 5.854 1.927 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.560 8.551 1.675 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.271 5.514 3.329 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.011 6.311 4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.512 9.567 3.467 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.147 8.596 4.799 1.00 0.00 H new ATOM 1175 N LEU A 73 -2.302 6.895 -3.610 1.00 0.00 N ATOM 1176 CA LEU A 73 -2.402 7.995 -4.561 1.00 0.00 C ATOM 1177 C LEU A 73 -3.712 8.754 -4.384 1.00 0.00 C ATOM 1178 O LEU A 73 -4.501 8.452 -3.487 1.00 0.00 O ATOM 1179 CB LEU A 73 -2.295 7.468 -5.994 1.00 0.00 C ATOM 1180 CG LEU A 73 -0.887 7.055 -6.427 1.00 0.00 C ATOM 1181 CD1 LEU A 73 -0.922 6.401 -7.800 1.00 0.00 C ATOM 1182 CD2 LEU A 73 0.044 8.257 -6.428 1.00 0.00 C ATOM 0 H LEU A 73 -2.615 5.994 -3.972 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.578 8.682 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.958 6.609 -6.100 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.658 8.237 -6.676 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.505 6.327 -5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.088 6.114 -8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.556 5.515 -7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.324 7.105 -8.528 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.041 7.945 -6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.333 9.009 -7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.092 8.681 -5.425 1.00 0.00 H new ATOM 1194 N ARG A 74 -3.939 9.741 -5.244 1.00 0.00 N ATOM 1195 CA ARG A 74 -5.155 10.545 -5.184 1.00 0.00 C ATOM 1196 C ARG A 74 -5.916 10.478 -6.504 1.00 0.00 C ATOM 1197 O ARG A 74 -5.926 11.437 -7.276 1.00 0.00 O ATOM 1198 CB ARG A 74 -4.813 11.999 -4.852 1.00 0.00 C ATOM 1199 CG ARG A 74 -5.378 12.468 -3.521 1.00 0.00 C ATOM 1200 CD ARG A 74 -6.869 12.745 -3.617 1.00 0.00 C ATOM 1201 NE ARG A 74 -7.515 12.725 -2.308 1.00 0.00 N ATOM 1202 CZ ARG A 74 -8.830 12.652 -2.137 1.00 0.00 C ATOM 1203 NH1 ARG A 74 -9.635 12.591 -3.189 1.00 0.00 N ATOM 1204 NH2 ARG A 74 -9.343 12.638 -0.914 1.00 0.00 N ATOM 0 H ARG A 74 -3.297 10.004 -5.991 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.791 10.140 -4.397 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.729 12.115 -4.838 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.192 12.643 -5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.196 11.710 -2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.859 13.372 -3.202 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.028 13.717 -4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.335 12.001 -4.263 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.923 12.770 -1.478 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.244 12.600 -4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.645 12.535 -3.056 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.727 12.683 -0.102 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.353 12.582 -0.785 1.00 0.00 H new ATOM 1218 N GLY A 75 -6.553 9.338 -6.756 1.00 0.00 N ATOM 1219 CA GLY A 75 -7.309 9.167 -7.982 1.00 0.00 C ATOM 1220 C GLY A 75 -6.439 8.726 -9.143 1.00 0.00 C ATOM 1221 O GLY A 75 -5.689 9.525 -9.703 1.00 0.00 O ATOM 0 H GLY A 75 -6.559 8.531 -6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.095 8.430 -7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.800 10.106 -8.236 1.00 0.00 H new ATOM 1225 N GLY A 76 -6.538 7.451 -9.503 1.00 0.00 N ATOM 1226 CA GLY A 76 -5.750 6.927 -10.602 1.00 0.00 C ATOM 1227 C GLY A 76 -4.283 7.297 -10.493 1.00 0.00 C ATOM 1228 O GLY A 76 -3.854 7.701 -9.392 1.00 0.00 O ATOM 1229 OXT GLY A 76 -3.565 7.183 -11.508 1.00 0.00 O ATOM 0 H GLY A 76 -7.150 6.771 -9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.847 5.842 -10.629 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.148 7.306 -11.543 1.00 0.00 H new TER 1233 GLY A 76