USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 730 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 75 TYR OH : rot -160:sc= 0.424 USER MOD Set 1.2: A 94 SER OG : rot 101:sc= 0.914 USER MOD Set 2.1: A 41 TYR OH : rot -18:sc= 1.37 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 1.59 K(o=4.4,f=-4.6!) USER MOD Set 2.3: A 85 SER OG : rot -68:sc= 1.45 USER MOD Set 3.1: A 34 SER OG : rot -106:sc= 1.09 USER MOD Set 3.2: A 36 TYR OH : rot 180:sc= 0.32 USER MOD Single : A 1 THR N :NH3+ 151:sc= 0 (180deg=-0.118) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -140:sc= 0.00715 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0.993 (180deg=0.959) USER MOD Single : A 38 ASN : amide:sc= -0.145 K(o=-0.14,f=-1.5) USER MOD Single : A 43 SER OG : rot 170:sc= -0.118 USER MOD Single : A 45 SER OG : rot 82:sc= 1.28 USER MOD Single : A 46 SER OG : rot 180:sc= 0.015 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.574 K(o=-0.57,f=-1.4) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc=-0.00253 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0778 USER MOD Single : A 81 ASN : amide:sc= 0.524 K(o=0.52,f=-0.026) USER MOD Single : A 84 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.16) USER MOD Single : A 86 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0.00515 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 98 THR OG1 : rot -27:sc= 0.815 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -15.394 -1.689 -0.252 1.00 0.00 N ATOM 2 CA THR A 1 -16.404 -2.743 -0.062 1.00 0.00 C ATOM 3 C THR A 1 -16.404 -3.705 -1.270 1.00 0.00 C ATOM 4 O THR A 1 -17.451 -4.045 -1.823 1.00 0.00 O ATOM 5 CB THR A 1 -17.760 -2.095 0.307 1.00 0.00 C ATOM 6 OG1 THR A 1 -18.689 -3.033 0.817 1.00 0.00 O ATOM 7 CG2 THR A 1 -18.423 -1.312 -0.833 1.00 0.00 C ATOM 0 H1 THR A 1 -15.696 -0.825 0.242 1.00 0.00 H new ATOM 0 H2 THR A 1 -14.483 -2.008 0.134 1.00 0.00 H new ATOM 0 H3 THR A 1 -15.288 -1.488 -1.267 1.00 0.00 H new ATOM 0 HA THR A 1 -16.165 -3.387 0.784 1.00 0.00 H new ATOM 0 HB THR A 1 -17.494 -1.380 1.085 1.00 0.00 H new ATOM 0 HG1 THR A 1 -19.528 -2.576 1.037 1.00 0.00 H new ATOM 0 HG21 THR A 1 -19.367 -0.893 -0.485 1.00 0.00 H new ATOM 0 HG22 THR A 1 -17.763 -0.505 -1.152 1.00 0.00 H new ATOM 0 HG23 THR A 1 -18.610 -1.981 -1.673 1.00 0.00 H new ATOM 16 N ALA A 2 -15.217 -4.119 -1.719 1.00 0.00 N ATOM 17 CA ALA A 2 -14.902 -5.169 -2.688 1.00 0.00 C ATOM 18 C ALA A 2 -13.387 -5.083 -2.915 1.00 0.00 C ATOM 19 O ALA A 2 -12.881 -3.963 -3.049 1.00 0.00 O ATOM 20 CB ALA A 2 -15.629 -4.995 -4.030 1.00 0.00 C ATOM 0 H ALA A 2 -14.363 -3.679 -1.375 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.227 -6.133 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.351 -5.807 -4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.706 -5.013 -3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.346 -4.041 -4.476 1.00 0.00 H new ATOM 26 N PRO A 3 -12.651 -6.201 -2.961 1.00 0.00 N ATOM 27 CA PRO A 3 -11.203 -6.169 -3.080 1.00 0.00 C ATOM 28 C PRO A 3 -10.740 -5.943 -4.526 1.00 0.00 C ATOM 29 O PRO A 3 -11.548 -5.931 -5.467 1.00 0.00 O ATOM 30 CB PRO A 3 -10.743 -7.531 -2.556 1.00 0.00 C ATOM 31 CG PRO A 3 -11.882 -8.444 -3.003 1.00 0.00 C ATOM 32 CD PRO A 3 -13.112 -7.566 -2.781 1.00 0.00 C ATOM 0 HA PRO A 3 -10.775 -5.339 -2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.787 -7.831 -2.985 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.621 -7.531 -1.473 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.778 -8.742 -4.046 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.924 -9.359 -2.413 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.902 -7.810 -3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.524 -7.713 -1.783 1.00 0.00 H new ATOM 40 N ILE A 4 -9.433 -5.733 -4.700 1.00 0.00 N ATOM 41 CA ILE A 4 -8.740 -5.621 -5.969 1.00 0.00 C ATOM 42 C ILE A 4 -7.572 -6.607 -5.989 1.00 0.00 C ATOM 43 O ILE A 4 -6.602 -6.436 -5.253 1.00 0.00 O ATOM 44 CB ILE A 4 -8.271 -4.178 -6.262 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.247 -3.049 -5.857 1.00 0.00 C ATOM 46 CG2 ILE A 4 -8.006 -4.069 -7.774 1.00 0.00 C ATOM 47 CD1 ILE A 4 -9.172 -2.667 -4.372 1.00 0.00 C ATOM 0 H ILE A 4 -8.800 -5.632 -3.907 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.439 -5.872 -6.766 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.386 -4.024 -5.645 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.037 -2.166 -6.461 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.265 -3.360 -6.091 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.673 -3.059 -8.013 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.234 -4.783 -8.061 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.923 -4.287 -8.321 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.885 -1.869 -4.165 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -9.412 -3.536 -3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.165 -2.324 -4.135 1.00 0.00 H new ATOM 59 N ALA A 5 -7.614 -7.613 -6.855 1.00 0.00 N ATOM 60 CA ALA A 5 -6.482 -8.506 -7.025 1.00 0.00 C ATOM 61 C ALA A 5 -5.549 -7.786 -7.997 1.00 0.00 C ATOM 62 O ALA A 5 -5.962 -7.420 -9.101 1.00 0.00 O ATOM 63 CB ALA A 5 -6.958 -9.853 -7.564 1.00 0.00 C ATOM 0 H ALA A 5 -8.417 -7.827 -7.446 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.967 -8.725 -6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.103 -10.518 -7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -7.663 -10.297 -6.862 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.448 -9.707 -8.527 1.00 0.00 H new ATOM 69 N ILE A 6 -4.324 -7.495 -7.566 1.00 0.00 N ATOM 70 CA ILE A 6 -3.336 -6.709 -8.303 1.00 0.00 C ATOM 71 C ILE A 6 -2.243 -7.640 -8.857 1.00 0.00 C ATOM 72 O ILE A 6 -2.292 -8.841 -8.601 1.00 0.00 O ATOM 73 CB ILE A 6 -2.883 -5.507 -7.436 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.496 -5.774 -5.967 1.00 0.00 C ATOM 75 CG2 ILE A 6 -4.015 -4.470 -7.418 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.179 -6.523 -5.806 1.00 0.00 C ATOM 0 H ILE A 6 -3.979 -7.812 -6.660 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.751 -6.243 -9.197 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.960 -5.183 -7.916 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.429 -4.822 -5.440 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.291 -6.348 -5.490 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.715 -3.615 -6.812 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.221 -4.139 -8.436 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.913 -4.919 -6.993 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.973 -6.674 -4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.247 -7.490 -6.304 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.373 -5.941 -6.253 1.00 0.00 H new ATOM 88 N THR A 7 -1.281 -7.139 -9.642 1.00 0.00 N ATOM 89 CA THR A 7 -0.288 -7.997 -10.314 1.00 0.00 C ATOM 90 C THR A 7 1.030 -8.064 -9.523 1.00 0.00 C ATOM 91 O THR A 7 2.050 -8.523 -10.036 1.00 0.00 O ATOM 92 CB THR A 7 -0.141 -7.522 -11.782 1.00 0.00 C ATOM 93 OG1 THR A 7 0.384 -8.492 -12.668 1.00 0.00 O ATOM 94 CG2 THR A 7 0.773 -6.307 -11.966 1.00 0.00 C ATOM 0 H THR A 7 -1.166 -6.143 -9.830 1.00 0.00 H new ATOM 0 HA THR A 7 -0.629 -9.032 -10.342 1.00 0.00 H new ATOM 0 HB THR A 7 -1.178 -7.286 -12.020 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.443 -8.113 -13.570 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.819 -6.043 -13.022 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.378 -5.465 -11.398 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.774 -6.547 -11.609 1.00 0.00 H new ATOM 102 N CYS A 8 1.043 -7.572 -8.278 1.00 0.00 N ATOM 103 CA CYS A 8 2.237 -7.439 -7.440 1.00 0.00 C ATOM 104 C CYS A 8 3.335 -6.567 -8.084 1.00 0.00 C ATOM 105 O CYS A 8 4.495 -6.623 -7.691 1.00 0.00 O ATOM 106 CB CYS A 8 2.746 -8.813 -6.993 1.00 0.00 C ATOM 107 SG CYS A 8 1.745 -9.695 -5.774 1.00 0.00 S ATOM 0 H CYS A 8 0.196 -7.246 -7.813 1.00 0.00 H new ATOM 0 HA CYS A 8 1.943 -6.895 -6.542 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.840 -9.444 -7.876 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.748 -8.687 -6.583 1.00 0.00 H new ATOM 112 N PHE A 9 3.000 -5.782 -9.108 1.00 0.00 N ATOM 113 CA PHE A 9 3.899 -4.807 -9.723 1.00 0.00 C ATOM 114 C PHE A 9 3.236 -3.419 -9.749 1.00 0.00 C ATOM 115 O PHE A 9 3.873 -2.409 -10.035 1.00 0.00 O ATOM 116 CB PHE A 9 4.323 -5.307 -11.108 1.00 0.00 C ATOM 117 CG PHE A 9 5.595 -4.660 -11.600 1.00 0.00 C ATOM 118 CD1 PHE A 9 6.832 -5.052 -11.054 1.00 0.00 C ATOM 119 CD2 PHE A 9 5.545 -3.647 -12.571 1.00 0.00 C ATOM 120 CE1 PHE A 9 8.019 -4.452 -11.502 1.00 0.00 C ATOM 121 CE2 PHE A 9 6.732 -3.032 -12.995 1.00 0.00 C ATOM 122 CZ PHE A 9 7.967 -3.449 -12.479 1.00 0.00 C ATOM 0 H PHE A 9 2.077 -5.807 -9.542 1.00 0.00 H new ATOM 0 HA PHE A 9 4.808 -4.699 -9.132 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.461 -6.388 -11.072 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.522 -5.111 -11.821 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.868 -5.815 -10.290 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.597 -3.343 -12.989 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.970 -4.763 -11.095 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.695 -2.234 -13.722 1.00 0.00 H new ATOM 0 HZ PHE A 9 8.880 -2.996 -12.835 1.00 0.00 H new ATOM 132 N THR A 10 1.946 -3.379 -9.417 1.00 0.00 N ATOM 133 CA THR A 10 1.034 -2.253 -9.343 1.00 0.00 C ATOM 134 C THR A 10 1.568 -1.199 -8.361 1.00 0.00 C ATOM 135 O THR A 10 2.174 -1.550 -7.342 1.00 0.00 O ATOM 136 CB THR A 10 -0.299 -2.872 -8.877 1.00 0.00 C ATOM 137 OG1 THR A 10 -0.559 -4.091 -9.566 1.00 0.00 O ATOM 138 CG2 THR A 10 -1.512 -1.969 -9.046 1.00 0.00 C ATOM 0 H THR A 10 1.465 -4.242 -9.165 1.00 0.00 H new ATOM 0 HA THR A 10 0.915 -1.729 -10.292 1.00 0.00 H new ATOM 0 HB THR A 10 -0.162 -3.038 -7.808 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.512 -4.145 -9.787 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.403 -2.487 -8.692 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.369 -1.056 -8.468 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.633 -1.716 -10.099 1.00 0.00 H new ATOM 146 N ARG A 11 1.352 0.087 -8.643 1.00 0.00 N ATOM 147 CA ARG A 11 1.755 1.205 -7.792 1.00 0.00 C ATOM 148 C ARG A 11 0.535 1.801 -7.100 1.00 0.00 C ATOM 149 O ARG A 11 -0.603 1.506 -7.464 1.00 0.00 O ATOM 150 CB ARG A 11 2.470 2.255 -8.661 1.00 0.00 C ATOM 151 CG ARG A 11 3.739 1.670 -9.307 1.00 0.00 C ATOM 152 CD ARG A 11 4.457 2.668 -10.223 1.00 0.00 C ATOM 153 NE ARG A 11 3.630 2.948 -11.406 1.00 0.00 N ATOM 154 CZ ARG A 11 3.800 3.891 -12.333 1.00 0.00 C ATOM 155 NH1 ARG A 11 4.865 4.683 -12.319 1.00 0.00 N ATOM 156 NH2 ARG A 11 2.860 4.037 -13.256 1.00 0.00 N ATOM 0 H ARG A 11 0.878 0.387 -9.495 1.00 0.00 H new ATOM 0 HA ARG A 11 2.439 0.860 -7.017 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.793 2.610 -9.438 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.734 3.118 -8.050 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.424 1.347 -8.523 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.472 0.784 -9.882 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.657 3.593 -9.682 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.421 2.264 -10.530 1.00 0.00 H new ATOM 0 HE ARG A 11 2.820 2.341 -11.534 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.571 4.576 -11.590 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.978 5.399 -13.037 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.035 3.437 -13.244 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.961 4.750 -13.979 1.00 0.00 H new ATOM 170 N GLY A 12 0.753 2.693 -6.137 1.00 0.00 N ATOM 171 CA GLY A 12 -0.335 3.430 -5.502 1.00 0.00 C ATOM 172 C GLY A 12 -1.042 4.347 -6.505 1.00 0.00 C ATOM 173 O GLY A 12 -2.178 4.732 -6.273 1.00 0.00 O ATOM 0 H GLY A 12 1.679 2.923 -5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.053 2.729 -5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.058 4.024 -4.676 1.00 0.00 H new ATOM 177 N LEU A 13 -0.442 4.619 -7.668 1.00 0.00 N ATOM 178 CA LEU A 13 -1.022 5.452 -8.722 1.00 0.00 C ATOM 179 C LEU A 13 -2.228 4.760 -9.351 1.00 0.00 C ATOM 180 O LEU A 13 -3.077 5.419 -9.957 1.00 0.00 O ATOM 181 CB LEU A 13 0.017 5.637 -9.838 1.00 0.00 C ATOM 182 CG LEU A 13 1.190 6.552 -9.465 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.394 6.167 -10.318 1.00 0.00 C ATOM 184 CD2 LEU A 13 0.856 8.030 -9.675 1.00 0.00 C ATOM 0 H LEU A 13 0.481 4.257 -7.907 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.320 6.403 -8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.409 4.659 -10.118 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.481 6.045 -10.718 1.00 0.00 H new ATOM 0 HG LEU A 13 1.408 6.420 -8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.239 6.808 -10.066 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.658 5.127 -10.126 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.147 6.290 -11.373 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.716 8.640 -9.398 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.611 8.202 -10.723 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.003 8.302 -9.054 1.00 0.00 H new ATOM 196 N ASP A 14 -2.279 3.434 -9.260 1.00 0.00 N ATOM 197 CA ASP A 14 -3.396 2.618 -9.699 1.00 0.00 C ATOM 198 C ASP A 14 -4.564 2.693 -8.718 1.00 0.00 C ATOM 199 O ASP A 14 -5.704 2.941 -9.122 1.00 0.00 O ATOM 200 CB ASP A 14 -2.979 1.143 -9.796 1.00 0.00 C ATOM 201 CG ASP A 14 -1.947 0.873 -10.884 1.00 0.00 C ATOM 202 OD1 ASP A 14 -0.728 0.964 -10.615 1.00 0.00 O ATOM 203 OD2 ASP A 14 -2.377 0.545 -12.014 1.00 0.00 O ATOM 0 H ASP A 14 -1.516 2.884 -8.865 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.701 3.003 -10.672 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.574 0.824 -8.835 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.864 0.535 -9.987 1.00 0.00 H new ATOM 208 N ILE A 15 -4.292 2.509 -7.423 1.00 0.00 N ATOM 209 CA ILE A 15 -5.293 2.399 -6.366 1.00 0.00 C ATOM 210 C ILE A 15 -5.126 3.501 -5.319 1.00 0.00 C ATOM 211 O ILE A 15 -4.201 3.470 -4.508 1.00 0.00 O ATOM 212 CB ILE A 15 -5.190 0.970 -5.783 1.00 0.00 C ATOM 213 CG1 ILE A 15 -5.580 -0.071 -6.861 1.00 0.00 C ATOM 214 CG2 ILE A 15 -6.071 0.782 -4.542 1.00 0.00 C ATOM 215 CD1 ILE A 15 -5.528 -1.519 -6.376 1.00 0.00 C ATOM 0 H ILE A 15 -3.337 2.430 -7.073 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.298 2.548 -6.760 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.155 0.820 -5.477 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.588 0.147 -7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.913 0.039 -7.716 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.964 -0.237 -4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.764 1.485 -3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.113 0.964 -4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.815 -2.186 -7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.515 -1.758 -6.051 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.217 -1.648 -5.541 1.00 0.00 H new ATOM 227 N ARG A 16 -6.082 4.438 -5.290 1.00 0.00 N ATOM 228 CA ARG A 16 -6.073 5.614 -4.420 1.00 0.00 C ATOM 229 C ARG A 16 -7.414 5.825 -3.714 1.00 0.00 C ATOM 230 O ARG A 16 -7.742 6.956 -3.341 1.00 0.00 O ATOM 231 CB ARG A 16 -5.703 6.847 -5.253 1.00 0.00 C ATOM 232 CG ARG A 16 -4.341 6.769 -5.962 1.00 0.00 C ATOM 233 CD ARG A 16 -4.065 8.008 -6.818 1.00 0.00 C ATOM 234 NE ARG A 16 -4.353 9.230 -6.058 1.00 0.00 N ATOM 235 CZ ARG A 16 -4.945 10.325 -6.530 1.00 0.00 C ATOM 236 NH1 ARG A 16 -4.919 10.615 -7.824 1.00 0.00 N ATOM 237 NH2 ARG A 16 -5.585 11.137 -5.699 1.00 0.00 N ATOM 0 H ARG A 16 -6.906 4.395 -5.890 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.331 5.454 -3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.478 7.005 -6.003 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.707 7.721 -4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.552 6.660 -5.218 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.311 5.880 -6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.024 8.010 -7.141 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.678 7.979 -7.719 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.074 9.241 -5.077 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.440 9.994 -8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.378 11.459 -8.167 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.622 10.921 -4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.040 11.977 -6.056 1.00 0.00 H new ATOM 251 N LYS A 17 -8.204 4.761 -3.553 1.00 0.00 N ATOM 252 CA LYS A 17 -9.518 4.846 -2.913 1.00 0.00 C ATOM 253 C LYS A 17 -9.327 5.008 -1.407 1.00 0.00 C ATOM 254 O LYS A 17 -8.266 4.642 -0.901 1.00 0.00 O ATOM 255 CB LYS A 17 -10.387 3.608 -3.218 1.00 0.00 C ATOM 256 CG LYS A 17 -10.654 3.366 -4.719 1.00 0.00 C ATOM 257 CD LYS A 17 -9.707 2.338 -5.356 1.00 0.00 C ATOM 258 CE LYS A 17 -10.089 0.902 -4.971 1.00 0.00 C ATOM 259 NZ LYS A 17 -11.132 0.341 -5.851 1.00 0.00 N ATOM 0 H LYS A 17 -7.953 3.822 -3.861 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.045 5.711 -3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.899 2.726 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.343 3.715 -2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.682 3.027 -4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.561 4.312 -5.253 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.732 2.443 -6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.684 2.540 -5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.202 0.269 -5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.441 0.887 -3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.355 -0.629 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.989 0.927 -5.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.788 0.329 -6.833 1.00 0.00 H new ATOM 273 N GLU A 18 -10.375 5.453 -0.706 1.00 0.00 N ATOM 274 CA GLU A 18 -10.438 5.667 0.743 1.00 0.00 C ATOM 275 C GLU A 18 -9.690 4.544 1.456 1.00 0.00 C ATOM 276 O GLU A 18 -8.720 4.786 2.177 1.00 0.00 O ATOM 277 CB GLU A 18 -11.910 5.746 1.176 1.00 0.00 C ATOM 278 CG GLU A 18 -12.073 5.985 2.684 1.00 0.00 C ATOM 279 CD GLU A 18 -13.521 5.770 3.119 1.00 0.00 C ATOM 280 OE1 GLU A 18 -13.989 4.612 3.109 1.00 0.00 O ATOM 281 OE2 GLU A 18 -14.200 6.751 3.508 1.00 0.00 O ATOM 0 H GLU A 18 -11.256 5.688 -1.164 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.957 6.607 1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.402 6.551 0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.415 4.820 0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.420 5.309 3.236 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.762 7.000 2.931 1.00 0.00 H new ATOM 288 N LYS A 19 -10.136 3.316 1.213 1.00 0.00 N ATOM 289 CA LYS A 19 -9.507 2.093 1.663 1.00 0.00 C ATOM 290 C LYS A 19 -9.756 1.093 0.551 1.00 0.00 C ATOM 291 O LYS A 19 -10.864 1.015 0.012 1.00 0.00 O ATOM 292 CB LYS A 19 -9.988 1.636 3.046 1.00 0.00 C ATOM 293 CG LYS A 19 -11.504 1.668 3.282 1.00 0.00 C ATOM 294 CD LYS A 19 -11.793 1.222 4.722 1.00 0.00 C ATOM 295 CE LYS A 19 -13.274 1.314 5.085 1.00 0.00 C ATOM 296 NZ LYS A 19 -13.777 2.704 5.091 1.00 0.00 N ATOM 0 H LYS A 19 -10.984 3.146 0.672 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.438 2.225 1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.637 0.617 3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.511 2.263 3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.890 2.673 3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.009 1.010 2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.455 0.194 4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.216 1.839 5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.855 0.725 4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.430 0.872 6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.756 2.717 5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.179 3.287 5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.750 3.087 4.125 1.00 0.00 H new ATOM 310 N ALA A 20 -8.712 0.385 0.158 1.00 0.00 N ATOM 311 CA ALA A 20 -8.688 -0.527 -0.958 1.00 0.00 C ATOM 312 C ALA A 20 -8.000 -1.778 -0.458 1.00 0.00 C ATOM 313 O ALA A 20 -6.841 -1.751 -0.048 1.00 0.00 O ATOM 314 CB ALA A 20 -7.928 0.102 -2.116 1.00 0.00 C ATOM 0 H ALA A 20 -7.814 0.438 0.638 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.688 -0.761 -1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.911 -0.589 -2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.421 1.027 -2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.906 0.320 -1.805 1.00 0.00 H new ATOM 320 N ASP A 21 -8.752 -2.857 -0.466 1.00 0.00 N ATOM 321 CA ASP A 21 -8.391 -4.149 0.072 1.00 0.00 C ATOM 322 C ASP A 21 -7.823 -4.878 -1.133 1.00 0.00 C ATOM 323 O ASP A 21 -8.506 -4.973 -2.153 1.00 0.00 O ATOM 324 CB ASP A 21 -9.665 -4.801 0.643 1.00 0.00 C ATOM 325 CG ASP A 21 -10.479 -3.804 1.473 1.00 0.00 C ATOM 326 OD1 ASP A 21 -11.319 -3.068 0.889 1.00 0.00 O ATOM 327 OD2 ASP A 21 -10.248 -3.672 2.690 1.00 0.00 O ATOM 0 H ASP A 21 -9.687 -2.855 -0.873 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.669 -4.139 0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.278 -5.182 -0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.392 -5.655 1.263 1.00 0.00 H new ATOM 332 N VAL A 22 -6.549 -5.262 -1.102 1.00 0.00 N ATOM 333 CA VAL A 22 -5.886 -5.849 -2.260 1.00 0.00 C ATOM 334 C VAL A 22 -5.376 -7.259 -1.967 1.00 0.00 C ATOM 335 O VAL A 22 -5.150 -7.620 -0.810 1.00 0.00 O ATOM 336 CB VAL A 22 -4.805 -4.893 -2.823 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.363 -3.499 -3.143 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.604 -4.708 -1.888 1.00 0.00 C ATOM 0 H VAL A 22 -5.952 -5.175 -0.279 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.622 -5.973 -3.054 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.473 -5.385 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.565 -2.869 -3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.155 -3.586 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.767 -3.051 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.888 -4.026 -2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.943 -4.294 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.127 -5.672 -1.713 1.00 0.00 H new ATOM 348 N LEU A 23 -5.180 -8.046 -3.028 1.00 0.00 N ATOM 349 CA LEU A 23 -4.580 -9.376 -2.990 1.00 0.00 C ATOM 350 C LEU A 23 -3.357 -9.311 -3.882 1.00 0.00 C ATOM 351 O LEU A 23 -3.456 -8.828 -5.015 1.00 0.00 O ATOM 352 CB LEU A 23 -5.508 -10.492 -3.516 1.00 0.00 C ATOM 353 CG LEU A 23 -6.756 -10.850 -2.693 1.00 0.00 C ATOM 354 CD1 LEU A 23 -6.432 -11.072 -1.213 1.00 0.00 C ATOM 355 CD2 LEU A 23 -7.883 -9.828 -2.866 1.00 0.00 C ATOM 0 H LEU A 23 -5.446 -7.761 -3.971 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.357 -9.627 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.839 -10.206 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.911 -11.397 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.117 -11.798 -3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.346 -11.322 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.718 -11.890 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.001 -10.162 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.741 -10.127 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.537 -8.846 -2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.174 -9.782 -3.915 1.00 0.00 H new ATOM 367 N CYS A 24 -2.225 -9.796 -3.380 1.00 0.00 N ATOM 368 CA CYS A 24 -0.958 -9.817 -4.084 1.00 0.00 C ATOM 369 C CYS A 24 -0.596 -11.282 -4.381 1.00 0.00 C ATOM 370 O CYS A 24 -0.047 -11.945 -3.499 1.00 0.00 O ATOM 371 CB CYS A 24 0.100 -9.089 -3.241 1.00 0.00 C ATOM 372 SG CYS A 24 1.551 -8.486 -4.146 1.00 0.00 S ATOM 0 H CYS A 24 -2.168 -10.196 -2.443 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.015 -9.291 -5.037 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.376 -8.241 -2.748 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.440 -9.765 -2.456 1.00 0.00 H new ATOM 377 N PRO A 25 -0.936 -11.812 -5.571 1.00 0.00 N ATOM 378 CA PRO A 25 -0.581 -13.162 -5.980 1.00 0.00 C ATOM 379 C PRO A 25 0.864 -13.275 -6.464 1.00 0.00 C ATOM 380 O PRO A 25 1.423 -12.388 -7.121 1.00 0.00 O ATOM 381 CB PRO A 25 -1.541 -13.503 -7.110 1.00 0.00 C ATOM 382 CG PRO A 25 -1.804 -12.150 -7.768 1.00 0.00 C ATOM 383 CD PRO A 25 -1.739 -11.172 -6.599 1.00 0.00 C ATOM 0 HA PRO A 25 -0.658 -13.846 -5.135 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.101 -14.213 -7.811 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.460 -13.953 -6.735 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.056 -11.920 -8.527 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -2.776 -12.124 -8.260 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.292 -10.227 -6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.738 -10.946 -6.226 1.00 0.00 H new ATOM 391 N GLY A 26 1.422 -14.460 -6.261 1.00 0.00 N ATOM 392 CA GLY A 26 2.822 -14.730 -6.524 1.00 0.00 C ATOM 393 C GLY A 26 3.657 -14.226 -5.352 1.00 0.00 C ATOM 394 O GLY A 26 3.147 -13.584 -4.435 1.00 0.00 O ATOM 0 H GLY A 26 0.908 -15.266 -5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.979 -15.799 -6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.133 -14.238 -7.446 1.00 0.00 H new ATOM 398 N GLY A 27 4.952 -14.524 -5.367 1.00 0.00 N ATOM 399 CA GLY A 27 5.828 -14.226 -4.246 1.00 0.00 C ATOM 400 C GLY A 27 6.214 -12.761 -4.062 1.00 0.00 C ATOM 401 O GLY A 27 6.546 -12.386 -2.943 1.00 0.00 O ATOM 0 H GLY A 27 5.419 -14.976 -6.153 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.344 -14.570 -3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.742 -14.809 -4.361 1.00 0.00 H new ATOM 405 N CYS A 28 6.045 -11.922 -5.088 1.00 0.00 N ATOM 406 CA CYS A 28 6.487 -10.531 -5.144 1.00 0.00 C ATOM 407 C CYS A 28 7.898 -10.348 -4.543 1.00 0.00 C ATOM 408 O CYS A 28 8.048 -9.836 -3.430 1.00 0.00 O ATOM 409 CB CYS A 28 5.469 -9.561 -4.532 1.00 0.00 C ATOM 410 SG CYS A 28 5.779 -7.892 -5.170 1.00 0.00 S ATOM 0 H CYS A 28 5.572 -12.212 -5.944 1.00 0.00 H new ATOM 0 HA CYS A 28 6.555 -10.274 -6.201 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.455 -9.875 -4.779 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.549 -9.569 -3.445 1.00 0.00 H new ATOM 415 N PRO A 29 8.947 -10.747 -5.285 1.00 0.00 N ATOM 416 CA PRO A 29 10.324 -10.627 -4.835 1.00 0.00 C ATOM 417 C PRO A 29 10.712 -9.158 -4.742 1.00 0.00 C ATOM 418 O PRO A 29 10.248 -8.336 -5.540 1.00 0.00 O ATOM 419 CB PRO A 29 11.155 -11.389 -5.869 1.00 0.00 C ATOM 420 CG PRO A 29 10.352 -11.213 -7.154 1.00 0.00 C ATOM 421 CD PRO A 29 8.906 -11.211 -6.664 1.00 0.00 C ATOM 0 HA PRO A 29 10.485 -11.041 -3.840 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.160 -10.977 -5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.265 -12.440 -5.603 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.606 -10.283 -7.663 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.537 -12.024 -7.859 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.288 -10.556 -7.277 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.472 -12.209 -6.727 1.00 0.00 H new ATOM 429 N LEU A 30 11.619 -8.841 -3.809 1.00 0.00 N ATOM 430 CA LEU A 30 12.162 -7.497 -3.614 1.00 0.00 C ATOM 431 C LEU A 30 13.206 -7.246 -4.706 1.00 0.00 C ATOM 432 O LEU A 30 14.405 -7.102 -4.450 1.00 0.00 O ATOM 433 CB LEU A 30 12.796 -7.364 -2.217 1.00 0.00 C ATOM 434 CG LEU A 30 11.901 -7.777 -1.031 1.00 0.00 C ATOM 435 CD1 LEU A 30 12.330 -9.134 -0.468 1.00 0.00 C ATOM 436 CD2 LEU A 30 11.992 -6.739 0.085 1.00 0.00 C ATOM 0 H LEU A 30 12.001 -9.527 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 30 11.364 -6.758 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.703 -7.969 -2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.100 -6.327 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 30 10.877 -7.845 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.683 -9.402 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.251 -9.893 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.362 -9.075 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.356 -7.042 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.024 -6.662 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.661 -5.771 -0.291 1.00 0.00 H new ATOM 448 N GLU A 31 12.749 -7.240 -5.946 1.00 0.00 N ATOM 449 CA GLU A 31 13.553 -7.154 -7.144 1.00 0.00 C ATOM 450 C GLU A 31 13.591 -5.694 -7.587 1.00 0.00 C ATOM 451 O GLU A 31 14.664 -5.117 -7.776 1.00 0.00 O ATOM 452 CB GLU A 31 12.961 -8.170 -8.127 1.00 0.00 C ATOM 453 CG GLU A 31 13.929 -8.560 -9.234 1.00 0.00 C ATOM 454 CD GLU A 31 13.585 -9.952 -9.764 1.00 0.00 C ATOM 455 OE1 GLU A 31 12.697 -10.082 -10.636 1.00 0.00 O ATOM 456 OE2 GLU A 31 14.221 -10.932 -9.318 1.00 0.00 O ATOM 0 H GLU A 31 11.751 -7.298 -6.151 1.00 0.00 H new ATOM 0 HA GLU A 31 14.603 -7.422 -7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.663 -9.065 -7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.058 -7.753 -8.572 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.881 -7.832 -10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.951 -8.549 -8.855 1.00 0.00 H new ATOM 463 N GLU A 32 12.427 -5.051 -7.681 1.00 0.00 N ATOM 464 CA GLU A 32 12.328 -3.631 -7.949 1.00 0.00 C ATOM 465 C GLU A 32 11.224 -3.120 -7.035 1.00 0.00 C ATOM 466 O GLU A 32 10.061 -3.001 -7.429 1.00 0.00 O ATOM 467 CB GLU A 32 12.014 -3.359 -9.429 1.00 0.00 C ATOM 468 CG GLU A 32 13.009 -3.941 -10.440 1.00 0.00 C ATOM 469 CD GLU A 32 12.699 -3.407 -11.839 1.00 0.00 C ATOM 470 OE1 GLU A 32 11.548 -3.549 -12.317 1.00 0.00 O ATOM 471 OE2 GLU A 32 13.570 -2.750 -12.451 1.00 0.00 O ATOM 0 H GLU A 32 11.524 -5.512 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 32 13.271 -3.119 -7.755 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.024 -3.759 -9.650 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.963 -2.280 -9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.027 -3.674 -10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.951 -5.029 -10.435 1.00 0.00 H new ATOM 478 N PHE A 33 11.597 -2.738 -5.814 1.00 0.00 N ATOM 479 CA PHE A 33 10.694 -2.119 -4.859 1.00 0.00 C ATOM 480 C PHE A 33 11.190 -0.693 -4.716 1.00 0.00 C ATOM 481 O PHE A 33 12.280 -0.470 -4.187 1.00 0.00 O ATOM 482 CB PHE A 33 10.721 -2.847 -3.504 1.00 0.00 C ATOM 483 CG PHE A 33 9.925 -4.136 -3.361 1.00 0.00 C ATOM 484 CD1 PHE A 33 9.426 -4.858 -4.462 1.00 0.00 C ATOM 485 CD2 PHE A 33 9.678 -4.626 -2.067 1.00 0.00 C ATOM 486 CE1 PHE A 33 8.701 -6.043 -4.265 1.00 0.00 C ATOM 487 CE2 PHE A 33 8.973 -5.821 -1.869 1.00 0.00 C ATOM 488 CZ PHE A 33 8.487 -6.536 -2.970 1.00 0.00 C ATOM 0 H PHE A 33 12.547 -2.853 -5.461 1.00 0.00 H new ATOM 0 HA PHE A 33 9.659 -2.163 -5.199 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.761 -3.071 -3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.365 -2.150 -2.745 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.602 -4.497 -5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 33 10.037 -4.073 -1.212 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.306 -6.578 -5.116 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.805 -6.190 -0.868 1.00 0.00 H new ATOM 0 HZ PHE A 33 7.951 -7.462 -2.823 1.00 0.00 H new ATOM 498 N SER A 34 10.381 0.257 -5.166 1.00 0.00 N ATOM 499 CA SER A 34 10.635 1.675 -5.037 1.00 0.00 C ATOM 500 C SER A 34 9.519 2.187 -4.138 1.00 0.00 C ATOM 501 O SER A 34 8.352 1.797 -4.293 1.00 0.00 O ATOM 502 CB SER A 34 10.622 2.295 -6.438 1.00 0.00 C ATOM 503 OG SER A 34 11.308 3.526 -6.477 1.00 0.00 O ATOM 0 H SER A 34 9.505 0.050 -5.645 1.00 0.00 H new ATOM 0 HA SER A 34 11.602 1.927 -4.602 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.079 1.603 -7.145 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.591 2.444 -6.759 1.00 0.00 H new ATOM 0 HG SER A 34 10.661 4.260 -6.533 1.00 0.00 H new ATOM 509 N VAL A 35 9.888 3.001 -3.158 1.00 0.00 N ATOM 510 CA VAL A 35 9.001 3.487 -2.119 1.00 0.00 C ATOM 511 C VAL A 35 9.352 4.951 -1.891 1.00 0.00 C ATOM 512 O VAL A 35 10.515 5.339 -2.006 1.00 0.00 O ATOM 513 CB VAL A 35 9.185 2.608 -0.862 1.00 0.00 C ATOM 514 CG1 VAL A 35 8.222 2.997 0.257 1.00 0.00 C ATOM 515 CG2 VAL A 35 8.921 1.124 -1.158 1.00 0.00 C ATOM 0 H VAL A 35 10.842 3.350 -3.065 1.00 0.00 H new ATOM 0 HA VAL A 35 7.947 3.424 -2.390 1.00 0.00 H new ATOM 0 HB VAL A 35 10.219 2.768 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.388 2.352 1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.394 4.035 0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.195 2.882 -0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.061 0.541 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.898 1.000 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.616 0.776 -1.922 1.00 0.00 H new ATOM 525 N TYR A 36 8.360 5.771 -1.557 1.00 0.00 N ATOM 526 CA TYR A 36 8.548 7.202 -1.439 1.00 0.00 C ATOM 527 C TYR A 36 7.859 7.672 -0.163 1.00 0.00 C ATOM 528 O TYR A 36 6.634 7.774 -0.136 1.00 0.00 O ATOM 529 CB TYR A 36 8.046 7.904 -2.704 1.00 0.00 C ATOM 530 CG TYR A 36 8.722 7.494 -3.997 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.391 6.271 -4.610 1.00 0.00 C ATOM 532 CD2 TYR A 36 9.699 8.326 -4.577 1.00 0.00 C ATOM 533 CE1 TYR A 36 9.100 5.826 -5.734 1.00 0.00 C ATOM 534 CE2 TYR A 36 10.409 7.893 -5.710 1.00 0.00 C ATOM 535 CZ TYR A 36 10.138 6.622 -6.262 1.00 0.00 C ATOM 536 OH TYR A 36 10.895 6.151 -7.285 1.00 0.00 O ATOM 0 H TYR A 36 7.409 5.458 -1.362 1.00 0.00 H new ATOM 0 HA TYR A 36 9.604 7.459 -1.357 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.976 7.718 -2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.172 8.979 -2.575 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.586 5.672 -4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 36 9.903 9.297 -4.151 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.853 4.880 -6.193 1.00 0.00 H new ATOM 0 HE2 TYR A 36 11.159 8.530 -6.156 1.00 0.00 H new ATOM 0 HH TYR A 36 11.565 6.822 -7.532 1.00 0.00 H new ATOM 546 N GLY A 37 8.646 7.920 0.886 1.00 0.00 N ATOM 547 CA GLY A 37 8.199 8.256 2.230 1.00 0.00 C ATOM 548 C GLY A 37 8.062 6.988 3.075 1.00 0.00 C ATOM 549 O GLY A 37 7.838 5.903 2.537 1.00 0.00 O ATOM 0 H GLY A 37 9.663 7.889 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.909 8.938 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.242 8.776 2.183 1.00 0.00 H new ATOM 553 N ASN A 38 8.248 7.100 4.395 1.00 0.00 N ATOM 554 CA ASN A 38 8.019 5.997 5.328 1.00 0.00 C ATOM 555 C ASN A 38 6.608 6.185 5.877 1.00 0.00 C ATOM 556 O ASN A 38 6.240 7.322 6.194 1.00 0.00 O ATOM 557 CB ASN A 38 9.052 5.977 6.472 1.00 0.00 C ATOM 558 CG ASN A 38 8.732 6.955 7.602 1.00 0.00 C ATOM 559 OD1 ASN A 38 8.846 8.168 7.440 1.00 0.00 O ATOM 560 ND2 ASN A 38 8.303 6.451 8.746 1.00 0.00 N ATOM 0 H ASN A 38 8.562 7.960 4.845 1.00 0.00 H new ATOM 0 HA ASN A 38 8.128 5.041 4.815 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.109 4.968 6.881 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.036 6.213 6.066 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.059 7.072 9.517 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.216 5.441 8.858 1.00 0.00 H new ATOM 567 N ILE A 39 5.846 5.099 6.048 1.00 0.00 N ATOM 568 CA ILE A 39 4.434 5.105 6.441 1.00 0.00 C ATOM 569 C ILE A 39 3.550 5.807 5.411 1.00 0.00 C ATOM 570 O ILE A 39 2.612 5.184 4.914 1.00 0.00 O ATOM 571 CB ILE A 39 4.250 5.532 7.918 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.506 4.333 8.852 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.892 6.177 8.202 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.310 3.366 8.909 1.00 0.00 C ATOM 0 H ILE A 39 6.211 4.156 5.911 1.00 0.00 H new ATOM 0 HA ILE A 39 4.061 4.081 6.425 1.00 0.00 H new ATOM 0 HB ILE A 39 4.989 6.308 8.117 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.390 3.793 8.512 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.722 4.698 9.856 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.832 6.451 9.255 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.778 7.070 7.588 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.097 5.470 7.966 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.542 2.539 9.581 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.431 3.896 9.276 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.109 2.977 7.911 1.00 0.00 H new ATOM 586 N VAL A 40 3.763 7.094 5.157 1.00 0.00 N ATOM 587 CA VAL A 40 3.084 7.808 4.105 1.00 0.00 C ATOM 588 C VAL A 40 3.885 7.447 2.870 1.00 0.00 C ATOM 589 O VAL A 40 4.987 7.955 2.669 1.00 0.00 O ATOM 590 CB VAL A 40 3.035 9.323 4.335 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.416 9.980 3.090 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.208 9.622 5.594 1.00 0.00 C ATOM 0 H VAL A 40 4.420 7.668 5.686 1.00 0.00 H new ATOM 0 HA VAL A 40 2.032 7.531 4.034 1.00 0.00 H new ATOM 0 HB VAL A 40 4.036 9.726 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.372 11.060 3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.028 9.754 2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.409 9.592 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.172 10.699 5.759 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.195 9.241 5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.669 9.138 6.455 1.00 0.00 H new ATOM 602 N TYR A 41 3.324 6.553 2.077 1.00 0.00 N ATOM 603 CA TYR A 41 3.842 6.150 0.798 1.00 0.00 C ATOM 604 C TYR A 41 3.147 7.048 -0.213 1.00 0.00 C ATOM 605 O TYR A 41 1.921 7.039 -0.320 1.00 0.00 O ATOM 606 CB TYR A 41 3.558 4.655 0.628 1.00 0.00 C ATOM 607 CG TYR A 41 4.188 3.839 1.745 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.580 3.878 1.909 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.399 3.166 2.696 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.199 3.233 2.990 1.00 0.00 C ATOM 611 CE2 TYR A 41 4.007 2.544 3.805 1.00 0.00 C ATOM 612 CZ TYR A 41 5.412 2.567 3.949 1.00 0.00 C ATOM 613 OH TYR A 41 6.003 2.027 5.049 1.00 0.00 O ATOM 0 H TYR A 41 2.459 6.072 2.324 1.00 0.00 H new ATOM 0 HA TYR A 41 4.919 6.263 0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.481 4.487 0.616 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.944 4.317 -0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.185 4.413 1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.326 3.126 2.576 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.275 3.247 3.086 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.397 2.049 4.546 1.00 0.00 H new ATOM 0 HH TYR A 41 6.965 1.930 4.889 1.00 0.00 H new ATOM 623 N ALA A 42 3.887 7.918 -0.897 1.00 0.00 N ATOM 624 CA ALA A 42 3.288 8.706 -1.963 1.00 0.00 C ATOM 625 C ALA A 42 2.857 7.772 -3.094 1.00 0.00 C ATOM 626 O ALA A 42 3.414 6.680 -3.250 1.00 0.00 O ATOM 627 CB ALA A 42 4.262 9.756 -2.464 1.00 0.00 C ATOM 0 H ALA A 42 4.879 8.091 -0.735 1.00 0.00 H new ATOM 0 HA ALA A 42 2.412 9.229 -1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.795 10.335 -3.261 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.534 10.421 -1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.158 9.268 -2.847 1.00 0.00 H new ATOM 633 N SER A 43 1.928 8.256 -3.920 1.00 0.00 N ATOM 634 CA SER A 43 1.251 7.540 -4.997 1.00 0.00 C ATOM 635 C SER A 43 2.188 6.638 -5.820 1.00 0.00 C ATOM 636 O SER A 43 1.866 5.481 -6.076 1.00 0.00 O ATOM 637 CB SER A 43 0.558 8.607 -5.857 1.00 0.00 C ATOM 638 OG SER A 43 -0.493 8.096 -6.632 1.00 0.00 O ATOM 0 H SER A 43 1.609 9.222 -3.848 1.00 0.00 H new ATOM 0 HA SER A 43 0.526 6.841 -4.580 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.173 9.393 -5.208 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.294 9.069 -6.515 1.00 0.00 H new ATOM 0 HG SER A 43 -0.996 8.837 -7.030 1.00 0.00 H new ATOM 644 N VAL A 44 3.363 7.133 -6.214 1.00 0.00 N ATOM 645 CA VAL A 44 4.299 6.433 -7.096 1.00 0.00 C ATOM 646 C VAL A 44 4.869 5.130 -6.494 1.00 0.00 C ATOM 647 O VAL A 44 5.339 4.279 -7.247 1.00 0.00 O ATOM 648 CB VAL A 44 5.363 7.458 -7.563 1.00 0.00 C ATOM 649 CG1 VAL A 44 6.006 8.233 -6.398 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.447 6.864 -8.471 1.00 0.00 C ATOM 0 H VAL A 44 3.698 8.051 -5.922 1.00 0.00 H new ATOM 0 HA VAL A 44 3.771 6.058 -7.972 1.00 0.00 H new ATOM 0 HB VAL A 44 4.795 8.166 -8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.742 8.935 -6.790 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.235 8.781 -5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.497 7.533 -5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.153 7.645 -8.754 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.975 6.074 -7.938 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.985 6.451 -9.367 1.00 0.00 H new ATOM 660 N SER A 45 4.797 4.927 -5.175 1.00 0.00 N ATOM 661 CA SER A 45 5.360 3.750 -4.518 1.00 0.00 C ATOM 662 C SER A 45 4.709 2.452 -5.017 1.00 0.00 C ATOM 663 O SER A 45 3.496 2.411 -5.248 1.00 0.00 O ATOM 664 CB SER A 45 5.155 3.865 -3.002 1.00 0.00 C ATOM 665 OG SER A 45 5.578 5.123 -2.499 1.00 0.00 O ATOM 0 H SER A 45 4.345 5.578 -4.533 1.00 0.00 H new ATOM 0 HA SER A 45 6.422 3.710 -4.758 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.101 3.717 -2.767 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.708 3.070 -2.501 1.00 0.00 H new ATOM 0 HG SER A 45 4.870 5.786 -2.638 1.00 0.00 H new ATOM 671 N SER A 46 5.503 1.384 -5.151 1.00 0.00 N ATOM 672 CA SER A 46 4.991 0.056 -5.480 1.00 0.00 C ATOM 673 C SER A 46 4.098 -0.381 -4.311 1.00 0.00 C ATOM 674 O SER A 46 4.417 -0.085 -3.156 1.00 0.00 O ATOM 675 CB SER A 46 6.172 -0.906 -5.705 1.00 0.00 C ATOM 676 OG SER A 46 5.752 -2.256 -5.809 1.00 0.00 O ATOM 0 H SER A 46 6.516 1.419 -5.034 1.00 0.00 H new ATOM 0 HA SER A 46 4.405 0.057 -6.399 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.702 -0.621 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.879 -0.810 -4.881 1.00 0.00 H new ATOM 0 HG SER A 46 6.532 -2.831 -5.953 1.00 0.00 H new ATOM 682 N ILE A 47 3.010 -1.108 -4.583 1.00 0.00 N ATOM 683 CA ILE A 47 2.147 -1.657 -3.542 1.00 0.00 C ATOM 684 C ILE A 47 2.957 -2.671 -2.726 1.00 0.00 C ATOM 685 O ILE A 47 2.983 -2.536 -1.504 1.00 0.00 O ATOM 686 CB ILE A 47 0.829 -2.221 -4.136 1.00 0.00 C ATOM 687 CG1 ILE A 47 -0.014 -1.050 -4.702 1.00 0.00 C ATOM 688 CG2 ILE A 47 0.014 -2.999 -3.083 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.360 -1.455 -5.320 1.00 0.00 C ATOM 0 H ILE A 47 2.706 -1.330 -5.531 1.00 0.00 H new ATOM 0 HA ILE A 47 1.820 -0.872 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 47 1.083 -2.920 -4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.200 -0.336 -3.900 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.575 -0.532 -5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.901 -3.378 -3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.606 -3.834 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.240 -2.336 -2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.874 -0.567 -5.687 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.188 -2.143 -6.148 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.975 -1.944 -4.564 1.00 0.00 H new ATOM 701 N CYS A 48 3.657 -3.634 -3.349 1.00 0.00 N ATOM 702 CA CYS A 48 4.534 -4.537 -2.600 1.00 0.00 C ATOM 703 C CYS A 48 5.609 -3.756 -1.857 1.00 0.00 C ATOM 704 O CYS A 48 5.874 -4.049 -0.694 1.00 0.00 O ATOM 705 CB CYS A 48 5.278 -5.532 -3.485 1.00 0.00 C ATOM 706 SG CYS A 48 4.310 -6.685 -4.452 1.00 0.00 S ATOM 0 H CYS A 48 3.631 -3.803 -4.355 1.00 0.00 H new ATOM 0 HA CYS A 48 3.867 -5.072 -1.924 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.905 -4.964 -4.172 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.947 -6.110 -2.848 1.00 0.00 H new ATOM 711 N GLY A 49 6.221 -2.775 -2.532 1.00 0.00 N ATOM 712 CA GLY A 49 7.255 -1.933 -1.956 1.00 0.00 C ATOM 713 C GLY A 49 6.780 -1.355 -0.633 1.00 0.00 C ATOM 714 O GLY A 49 7.392 -1.602 0.403 1.00 0.00 O ATOM 0 H GLY A 49 6.004 -2.548 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.164 -2.514 -1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.504 -1.127 -2.646 1.00 0.00 H new ATOM 718 N ALA A 50 5.672 -0.617 -0.667 1.00 0.00 N ATOM 719 CA ALA A 50 5.048 -0.034 0.505 1.00 0.00 C ATOM 720 C ALA A 50 4.688 -1.109 1.531 1.00 0.00 C ATOM 721 O ALA A 50 4.951 -0.916 2.713 1.00 0.00 O ATOM 722 CB ALA A 50 3.805 0.743 0.067 1.00 0.00 C ATOM 0 H ALA A 50 5.177 -0.407 -1.533 1.00 0.00 H new ATOM 0 HA ALA A 50 5.751 0.646 0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.327 1.186 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.095 1.531 -0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.107 0.065 -0.424 1.00 0.00 H new ATOM 728 N ALA A 51 4.073 -2.217 1.108 1.00 0.00 N ATOM 729 CA ALA A 51 3.573 -3.262 1.994 1.00 0.00 C ATOM 730 C ALA A 51 4.706 -3.890 2.800 1.00 0.00 C ATOM 731 O ALA A 51 4.647 -3.923 4.028 1.00 0.00 O ATOM 732 CB ALA A 51 2.806 -4.314 1.187 1.00 0.00 C ATOM 0 H ALA A 51 3.908 -2.413 0.121 1.00 0.00 H new ATOM 0 HA ALA A 51 2.884 -2.812 2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.437 -5.090 1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.964 -3.842 0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.470 -4.760 0.447 1.00 0.00 H new ATOM 738 N VAL A 52 5.715 -4.432 2.128 1.00 0.00 N ATOM 739 CA VAL A 52 6.860 -5.045 2.781 1.00 0.00 C ATOM 740 C VAL A 52 7.682 -3.979 3.536 1.00 0.00 C ATOM 741 O VAL A 52 8.184 -4.280 4.615 1.00 0.00 O ATOM 742 CB VAL A 52 7.644 -5.914 1.775 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.702 -6.770 2.483 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.736 -6.906 1.018 1.00 0.00 C ATOM 0 H VAL A 52 5.760 -4.457 1.109 1.00 0.00 H new ATOM 0 HA VAL A 52 6.540 -5.741 3.556 1.00 0.00 H new ATOM 0 HB VAL A 52 8.096 -5.205 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.237 -7.370 1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.407 -6.121 3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.215 -7.428 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.337 -7.492 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.252 -7.573 1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.977 -6.354 0.464 1.00 0.00 H new ATOM 754 N HIS A 53 7.785 -2.727 3.057 1.00 0.00 N ATOM 755 CA HIS A 53 8.452 -1.644 3.802 1.00 0.00 C ATOM 756 C HIS A 53 7.734 -1.422 5.130 1.00 0.00 C ATOM 757 O HIS A 53 8.352 -1.449 6.192 1.00 0.00 O ATOM 758 CB HIS A 53 8.504 -0.344 2.979 1.00 0.00 C ATOM 759 CG HIS A 53 9.293 0.772 3.623 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.852 1.642 4.631 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.576 1.090 3.295 1.00 0.00 C ATOM 762 CE1 HIS A 53 9.903 2.446 4.886 1.00 0.00 C ATOM 763 NE2 HIS A 53 10.951 2.132 4.106 1.00 0.00 N ATOM 0 H HIS A 53 7.413 -2.439 2.152 1.00 0.00 H new ATOM 0 HA HIS A 53 9.483 -1.940 3.999 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.938 -0.563 2.003 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.485 0.002 2.804 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.183 0.613 2.540 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.903 3.238 5.620 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.864 2.587 4.115 1.00 0.00 H new ATOM 771 N ARG A 54 6.412 -1.246 5.086 1.00 0.00 N ATOM 772 CA ARG A 54 5.550 -1.145 6.259 1.00 0.00 C ATOM 773 C ARG A 54 5.686 -2.381 7.142 1.00 0.00 C ATOM 774 O ARG A 54 5.478 -2.263 8.350 1.00 0.00 O ATOM 775 CB ARG A 54 4.100 -0.950 5.776 1.00 0.00 C ATOM 776 CG ARG A 54 3.007 -1.075 6.847 1.00 0.00 C ATOM 777 CD ARG A 54 3.053 0.056 7.873 1.00 0.00 C ATOM 778 NE ARG A 54 2.106 -0.174 8.974 1.00 0.00 N ATOM 779 CZ ARG A 54 2.325 -0.954 10.042 1.00 0.00 C ATOM 780 NH1 ARG A 54 3.429 -1.688 10.150 1.00 0.00 N ATOM 781 NH2 ARG A 54 1.421 -1.021 11.005 1.00 0.00 N ATOM 0 H ARG A 54 5.900 -1.168 4.207 1.00 0.00 H new ATOM 0 HA ARG A 54 5.846 -0.292 6.869 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.021 0.036 5.319 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.898 -1.681 4.993 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.030 -1.082 6.364 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.115 -2.030 7.361 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.063 0.144 8.273 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.820 1.002 7.384 1.00 0.00 H new ATOM 0 HE ARG A 54 1.205 0.301 8.921 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.131 -1.665 9.411 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.573 -2.274 10.972 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.559 -0.480 10.934 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.585 -1.614 11.819 1.00 0.00 H new ATOM 795 N GLY A 55 6.003 -3.541 6.576 1.00 0.00 N ATOM 796 CA GLY A 55 6.092 -4.793 7.300 1.00 0.00 C ATOM 797 C GLY A 55 4.730 -5.466 7.424 1.00 0.00 C ATOM 798 O GLY A 55 4.439 -6.076 8.456 1.00 0.00 O ATOM 0 H GLY A 55 6.208 -3.633 5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.784 -5.462 6.788 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.501 -4.611 8.294 1.00 0.00 H new ATOM 802 N VAL A 56 3.870 -5.318 6.413 1.00 0.00 N ATOM 803 CA VAL A 56 2.583 -5.997 6.328 1.00 0.00 C ATOM 804 C VAL A 56 2.850 -7.491 6.104 1.00 0.00 C ATOM 805 O VAL A 56 2.622 -8.308 6.998 1.00 0.00 O ATOM 806 CB VAL A 56 1.750 -5.379 5.173 1.00 0.00 C ATOM 807 CG1 VAL A 56 0.412 -6.079 4.890 1.00 0.00 C ATOM 808 CG2 VAL A 56 1.467 -3.888 5.397 1.00 0.00 C ATOM 0 H VAL A 56 4.057 -4.709 5.616 1.00 0.00 H new ATOM 0 HA VAL A 56 2.008 -5.876 7.246 1.00 0.00 H new ATOM 0 HB VAL A 56 2.390 -5.525 4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.096 -5.575 4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.595 -7.119 4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.214 -6.040 5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.882 -3.500 4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.908 -3.759 6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.410 -3.345 5.463 1.00 0.00 H new ATOM 818 N ILE A 57 3.415 -7.818 4.943 1.00 0.00 N ATOM 819 CA ILE A 57 3.658 -9.158 4.423 1.00 0.00 C ATOM 820 C ILE A 57 5.158 -9.387 4.231 1.00 0.00 C ATOM 821 O ILE A 57 5.952 -8.442 4.261 1.00 0.00 O ATOM 822 CB ILE A 57 2.901 -9.336 3.078 1.00 0.00 C ATOM 823 CG1 ILE A 57 3.038 -8.096 2.162 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.416 -9.654 3.316 1.00 0.00 C ATOM 825 CD1 ILE A 57 2.856 -8.414 0.674 1.00 0.00 C ATOM 0 H ILE A 57 3.738 -7.099 4.296 1.00 0.00 H new ATOM 0 HA ILE A 57 3.290 -9.895 5.137 1.00 0.00 H new ATOM 0 HB ILE A 57 3.366 -10.180 2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.300 -7.351 2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.021 -7.649 2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.911 -9.773 2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.329 -10.577 3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.953 -8.837 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.965 -7.500 0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.610 -9.136 0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.863 -8.833 0.510 1.00 0.00 H new ATOM 837 N SER A 58 5.530 -10.648 4.039 1.00 0.00 N ATOM 838 CA SER A 58 6.873 -11.106 3.705 1.00 0.00 C ATOM 839 C SER A 58 6.968 -11.243 2.176 1.00 0.00 C ATOM 840 O SER A 58 5.980 -10.995 1.475 1.00 0.00 O ATOM 841 CB SER A 58 7.124 -12.454 4.394 1.00 0.00 C ATOM 842 OG SER A 58 6.814 -12.391 5.777 1.00 0.00 O ATOM 0 H SER A 58 4.867 -11.419 4.116 1.00 0.00 H new ATOM 0 HA SER A 58 7.627 -10.398 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.519 -13.226 3.918 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.167 -12.742 4.266 1.00 0.00 H new ATOM 0 HG SER A 58 6.982 -13.264 6.190 1.00 0.00 H new ATOM 848 N ASN A 59 8.147 -11.590 1.637 1.00 0.00 N ATOM 849 CA ASN A 59 8.318 -11.886 0.207 1.00 0.00 C ATOM 850 C ASN A 59 7.641 -13.240 -0.047 1.00 0.00 C ATOM 851 O ASN A 59 8.283 -14.288 -0.138 1.00 0.00 O ATOM 852 CB ASN A 59 9.826 -11.932 -0.107 1.00 0.00 C ATOM 853 CG ASN A 59 10.176 -12.477 -1.491 1.00 0.00 C ATOM 854 OD1 ASN A 59 9.355 -12.550 -2.391 1.00 0.00 O ATOM 855 ND2 ASN A 59 11.412 -12.890 -1.697 1.00 0.00 N ATOM 0 H ASN A 59 9.007 -11.673 2.179 1.00 0.00 H new ATOM 0 HA ASN A 59 7.869 -11.129 -0.436 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.233 -10.925 -0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.321 -12.546 0.646 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.678 -13.269 -2.606 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.101 -12.831 -0.947 1.00 0.00 H new ATOM 862 N SER A 60 6.313 -13.236 -0.040 1.00 0.00 N ATOM 863 CA SER A 60 5.440 -14.372 -0.253 1.00 0.00 C ATOM 864 C SER A 60 4.138 -13.962 -0.959 1.00 0.00 C ATOM 865 O SER A 60 3.432 -14.840 -1.463 1.00 0.00 O ATOM 866 CB SER A 60 5.190 -15.000 1.130 1.00 0.00 C ATOM 867 OG SER A 60 4.566 -16.269 1.088 1.00 0.00 O ATOM 0 H SER A 60 5.787 -12.378 0.126 1.00 0.00 H new ATOM 0 HA SER A 60 5.902 -15.102 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.143 -15.093 1.651 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.570 -14.322 1.717 1.00 0.00 H new ATOM 0 HG SER A 60 4.442 -16.603 2.001 1.00 0.00 H new ATOM 873 N GLY A 61 3.810 -12.665 -1.032 1.00 0.00 N ATOM 874 CA GLY A 61 2.521 -12.217 -1.551 1.00 0.00 C ATOM 875 C GLY A 61 1.546 -12.202 -0.368 1.00 0.00 C ATOM 876 O GLY A 61 1.980 -12.362 0.777 1.00 0.00 O ATOM 0 H GLY A 61 4.426 -11.908 -0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.607 -11.225 -1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.167 -12.886 -2.335 1.00 0.00 H new ATOM 880 N GLY A 62 0.257 -11.954 -0.600 1.00 0.00 N ATOM 881 CA GLY A 62 -0.767 -12.041 0.440 1.00 0.00 C ATOM 882 C GLY A 62 -1.802 -10.920 0.352 1.00 0.00 C ATOM 883 O GLY A 62 -1.730 -10.087 -0.560 1.00 0.00 O ATOM 0 H GLY A 62 -0.106 -11.687 -1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.274 -13.003 0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.287 -12.010 1.418 1.00 0.00 H new ATOM 887 N PRO A 63 -2.787 -10.902 1.266 1.00 0.00 N ATOM 888 CA PRO A 63 -3.755 -9.823 1.369 1.00 0.00 C ATOM 889 C PRO A 63 -3.088 -8.601 2.007 1.00 0.00 C ATOM 890 O PRO A 63 -2.258 -8.731 2.909 1.00 0.00 O ATOM 891 CB PRO A 63 -4.880 -10.373 2.250 1.00 0.00 C ATOM 892 CG PRO A 63 -4.156 -11.352 3.172 1.00 0.00 C ATOM 893 CD PRO A 63 -3.024 -11.900 2.302 1.00 0.00 C ATOM 0 HA PRO A 63 -4.141 -9.504 0.401 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.374 -9.581 2.813 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.648 -10.871 1.658 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.772 -10.854 4.062 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.820 -12.147 3.513 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.124 -12.068 2.894 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.300 -12.859 1.863 1.00 0.00 H new ATOM 901 N VAL A 64 -3.466 -7.404 1.567 1.00 0.00 N ATOM 902 CA VAL A 64 -2.967 -6.134 2.083 1.00 0.00 C ATOM 903 C VAL A 64 -4.144 -5.145 2.043 1.00 0.00 C ATOM 904 O VAL A 64 -5.099 -5.355 1.297 1.00 0.00 O ATOM 905 CB VAL A 64 -1.759 -5.672 1.227 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.112 -4.418 1.801 1.00 0.00 C ATOM 907 CG2 VAL A 64 -0.671 -6.739 0.991 1.00 0.00 C ATOM 0 H VAL A 64 -4.149 -7.288 0.818 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.605 -6.211 3.108 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.200 -5.463 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.269 -4.124 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.844 -3.610 1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.759 -4.621 2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.128 -6.316 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.265 -7.062 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.106 -7.594 0.474 1.00 0.00 H new ATOM 917 N ARG A 65 -4.097 -4.035 2.786 1.00 0.00 N ATOM 918 CA ARG A 65 -5.132 -3.002 2.736 1.00 0.00 C ATOM 919 C ARG A 65 -4.493 -1.628 2.660 1.00 0.00 C ATOM 920 O ARG A 65 -3.841 -1.179 3.603 1.00 0.00 O ATOM 921 CB ARG A 65 -6.071 -3.163 3.930 1.00 0.00 C ATOM 922 CG ARG A 65 -7.181 -2.098 3.934 1.00 0.00 C ATOM 923 CD ARG A 65 -8.282 -2.454 4.933 1.00 0.00 C ATOM 924 NE ARG A 65 -7.742 -2.766 6.262 1.00 0.00 N ATOM 925 CZ ARG A 65 -8.409 -3.410 7.219 1.00 0.00 C ATOM 926 NH1 ARG A 65 -9.720 -3.616 7.136 1.00 0.00 N ATOM 927 NH2 ARG A 65 -7.726 -3.847 8.265 1.00 0.00 N ATOM 0 H ARG A 65 -3.340 -3.829 3.438 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.736 -3.113 1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.520 -4.156 3.907 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.498 -3.094 4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.756 -1.127 4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.607 -2.009 2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.982 -1.622 5.013 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.846 -3.310 4.561 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.788 -2.469 6.467 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.239 -3.278 6.326 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.207 -4.112 7.883 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.720 -3.687 8.320 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.205 -4.344 9.016 1.00 0.00 H new ATOM 941 N VAL A 66 -4.654 -0.970 1.521 1.00 0.00 N ATOM 942 CA VAL A 66 -4.101 0.342 1.229 1.00 0.00 C ATOM 943 C VAL A 66 -5.153 1.398 1.597 1.00 0.00 C ATOM 944 O VAL A 66 -6.265 1.356 1.071 1.00 0.00 O ATOM 945 CB VAL A 66 -3.730 0.411 -0.274 1.00 0.00 C ATOM 946 CG1 VAL A 66 -2.716 1.531 -0.499 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.128 -0.886 -0.855 1.00 0.00 C ATOM 0 H VAL A 66 -5.195 -1.352 0.745 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.197 0.528 1.808 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.673 0.587 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.455 1.579 -1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.149 2.482 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.819 1.333 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.901 -0.740 -1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.213 -1.135 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.845 -1.700 -0.747 1.00 0.00 H new ATOM 957 N TYR A 67 -4.827 2.358 2.460 1.00 0.00 N ATOM 958 CA TYR A 67 -5.672 3.500 2.806 1.00 0.00 C ATOM 959 C TYR A 67 -5.102 4.720 2.092 1.00 0.00 C ATOM 960 O TYR A 67 -3.916 5.013 2.263 1.00 0.00 O ATOM 961 CB TYR A 67 -5.677 3.758 4.322 1.00 0.00 C ATOM 962 CG TYR A 67 -6.606 2.884 5.144 1.00 0.00 C ATOM 963 CD1 TYR A 67 -6.229 1.586 5.534 1.00 0.00 C ATOM 964 CD2 TYR A 67 -7.846 3.402 5.568 1.00 0.00 C ATOM 965 CE1 TYR A 67 -7.093 0.801 6.322 1.00 0.00 C ATOM 966 CE2 TYR A 67 -8.710 2.627 6.359 1.00 0.00 C ATOM 967 CZ TYR A 67 -8.347 1.314 6.726 1.00 0.00 C ATOM 968 OH TYR A 67 -9.194 0.578 7.497 1.00 0.00 O ATOM 0 H TYR A 67 -3.935 2.363 2.955 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.699 3.297 2.502 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.662 3.626 4.696 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.947 4.800 4.492 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.272 1.189 5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.134 4.403 5.282 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.797 -0.195 6.618 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.654 3.037 6.687 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.007 1.095 7.675 1.00 0.00 H new ATOM 978 N SER A 68 -5.903 5.438 1.299 1.00 0.00 N ATOM 979 CA SER A 68 -5.419 6.682 0.709 1.00 0.00 C ATOM 980 C SER A 68 -5.147 7.694 1.829 1.00 0.00 C ATOM 981 O SER A 68 -5.726 7.614 2.919 1.00 0.00 O ATOM 982 CB SER A 68 -6.403 7.218 -0.333 1.00 0.00 C ATOM 983 OG SER A 68 -7.683 7.452 0.219 1.00 0.00 O ATOM 0 H SER A 68 -6.862 5.187 1.058 1.00 0.00 H new ATOM 0 HA SER A 68 -4.485 6.497 0.178 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.015 8.145 -0.755 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.487 6.505 -1.153 1.00 0.00 H new ATOM 0 HG SER A 68 -8.282 7.795 -0.477 1.00 0.00 H new ATOM 989 N LEU A 69 -4.264 8.655 1.577 1.00 0.00 N ATOM 990 CA LEU A 69 -3.839 9.684 2.521 1.00 0.00 C ATOM 991 C LEU A 69 -3.817 11.007 1.747 1.00 0.00 C ATOM 992 O LEU A 69 -3.611 10.976 0.526 1.00 0.00 O ATOM 993 CB LEU A 69 -2.482 9.227 3.097 1.00 0.00 C ATOM 994 CG LEU A 69 -1.942 9.960 4.340 1.00 0.00 C ATOM 995 CD1 LEU A 69 -1.084 8.975 5.132 1.00 0.00 C ATOM 996 CD2 LEU A 69 -1.100 11.209 4.017 1.00 0.00 C ATOM 0 H LEU A 69 -3.805 8.742 0.670 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.500 9.835 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.563 8.168 3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.737 9.315 2.307 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.804 10.312 4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.688 9.469 6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.693 8.122 5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.258 8.630 4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.758 11.667 4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.238 10.921 3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.708 11.924 3.462 1.00 0.00 H new ATOM 1008 N PRO A 70 -4.059 12.163 2.386 1.00 0.00 N ATOM 1009 CA PRO A 70 -4.099 13.435 1.680 1.00 0.00 C ATOM 1010 C PRO A 70 -2.785 13.795 0.978 1.00 0.00 C ATOM 1011 O PRO A 70 -1.744 13.142 1.126 1.00 0.00 O ATOM 1012 CB PRO A 70 -4.499 14.480 2.733 1.00 0.00 C ATOM 1013 CG PRO A 70 -4.227 13.814 4.075 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.514 12.352 3.757 1.00 0.00 C ATOM 0 HA PRO A 70 -4.817 13.388 0.861 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.917 15.395 2.622 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.549 14.756 2.635 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.200 13.967 4.407 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.877 14.197 4.862 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.986 11.689 4.442 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.577 12.129 3.854 1.00 0.00 H new ATOM 1022 N GLY A 71 -2.855 14.846 0.161 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.691 15.421 -0.482 1.00 0.00 C ATOM 1024 C GLY A 71 -0.683 15.801 0.593 1.00 0.00 C ATOM 1025 O GLY A 71 -1.068 16.377 1.615 1.00 0.00 O ATOM 0 H GLY A 71 -3.729 15.319 -0.069 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.251 14.707 -1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.974 16.299 -1.063 1.00 0.00 H new ATOM 1029 N ARG A 72 0.593 15.479 0.398 1.00 0.00 N ATOM 1030 CA ARG A 72 1.629 15.695 1.398 1.00 0.00 C ATOM 1031 C ARG A 72 2.917 16.227 0.797 1.00 0.00 C ATOM 1032 O ARG A 72 3.127 16.219 -0.415 1.00 0.00 O ATOM 1033 CB ARG A 72 1.824 14.426 2.255 1.00 0.00 C ATOM 1034 CG ARG A 72 0.783 14.304 3.386 1.00 0.00 C ATOM 1035 CD ARG A 72 1.369 13.639 4.641 1.00 0.00 C ATOM 1036 NE ARG A 72 2.588 14.332 5.096 1.00 0.00 N ATOM 1037 CZ ARG A 72 3.663 13.757 5.639 1.00 0.00 C ATOM 1038 NH1 ARG A 72 3.561 12.561 6.203 1.00 0.00 N ATOM 1039 NH2 ARG A 72 4.838 14.373 5.603 1.00 0.00 N ATOM 0 H ARG A 72 0.937 15.058 -0.465 1.00 0.00 H new ATOM 0 HA ARG A 72 1.293 16.485 2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.762 13.547 1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.824 14.435 2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.409 15.295 3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.069 13.723 3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.626 13.645 5.439 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.600 12.595 4.428 1.00 0.00 H new ATOM 0 HE ARG A 72 2.612 15.346 4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.661 12.081 6.222 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.382 12.121 6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.921 15.288 5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.658 13.932 6.019 1.00 0.00 H new ATOM 1053 N GLU A 73 3.772 16.721 1.680 1.00 0.00 N ATOM 1054 CA GLU A 73 5.095 17.273 1.482 1.00 0.00 C ATOM 1055 C GLU A 73 5.882 17.007 2.772 1.00 0.00 C ATOM 1056 O GLU A 73 5.359 16.385 3.703 1.00 0.00 O ATOM 1057 CB GLU A 73 5.014 18.770 1.128 1.00 0.00 C ATOM 1058 CG GLU A 73 4.215 19.656 2.101 1.00 0.00 C ATOM 1059 CD GLU A 73 2.707 19.586 1.834 1.00 0.00 C ATOM 1060 OE1 GLU A 73 2.246 20.168 0.823 1.00 0.00 O ATOM 1061 OE2 GLU A 73 1.980 18.903 2.586 1.00 0.00 O ATOM 0 H GLU A 73 3.520 16.745 2.668 1.00 0.00 H new ATOM 0 HA GLU A 73 5.606 16.804 0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.029 19.162 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.571 18.864 0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.417 19.343 3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.552 20.689 2.011 1.00 0.00 H new ATOM 1068 N ASN A 74 7.138 17.468 2.838 1.00 0.00 N ATOM 1069 CA ASN A 74 8.049 17.241 3.966 1.00 0.00 C ATOM 1070 C ASN A 74 8.030 15.766 4.385 1.00 0.00 C ATOM 1071 O ASN A 74 7.794 15.435 5.551 1.00 0.00 O ATOM 1072 CB ASN A 74 7.731 18.193 5.130 1.00 0.00 C ATOM 1073 CG ASN A 74 8.078 19.637 4.816 1.00 0.00 C ATOM 1074 OD1 ASN A 74 9.250 19.990 4.745 1.00 0.00 O ATOM 1075 ND2 ASN A 74 7.098 20.504 4.642 1.00 0.00 N ATOM 0 H ASN A 74 7.558 18.022 2.091 1.00 0.00 H new ATOM 0 HA ASN A 74 9.067 17.469 3.649 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.671 18.123 5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.282 17.875 6.015 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.311 21.482 4.446 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.128 20.196 4.704 1.00 0.00 H new ATOM 1082 N TYR A 75 8.205 14.885 3.395 1.00 0.00 N ATOM 1083 CA TYR A 75 8.329 13.443 3.570 1.00 0.00 C ATOM 1084 C TYR A 75 9.720 13.120 4.149 1.00 0.00 C ATOM 1085 O TYR A 75 10.489 14.018 4.500 1.00 0.00 O ATOM 1086 CB TYR A 75 8.096 12.733 2.227 1.00 0.00 C ATOM 1087 CG TYR A 75 6.733 12.916 1.583 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.521 13.993 0.703 1.00 0.00 C ATOM 1089 CD2 TYR A 75 5.727 11.940 1.742 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.333 14.078 -0.042 1.00 0.00 C ATOM 1091 CE2 TYR A 75 4.531 12.035 1.007 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.327 13.100 0.108 1.00 0.00 C ATOM 1093 OH TYR A 75 3.199 13.166 -0.649 1.00 0.00 O ATOM 0 H TYR A 75 8.266 15.171 2.418 1.00 0.00 H new ATOM 0 HA TYR A 75 7.575 13.083 4.270 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.853 13.080 1.524 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.262 11.666 2.374 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.276 14.759 0.600 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.875 11.119 2.428 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.189 14.896 -0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.764 11.286 1.133 1.00 0.00 H new ATOM 0 HH TYR A 75 2.488 12.644 -0.222 1.00 0.00 H new ATOM 1103 N SER A 76 10.049 11.834 4.242 1.00 0.00 N ATOM 1104 CA SER A 76 11.255 11.305 4.859 1.00 0.00 C ATOM 1105 C SER A 76 11.850 10.220 3.967 1.00 0.00 C ATOM 1106 O SER A 76 11.187 9.764 3.033 1.00 0.00 O ATOM 1107 CB SER A 76 10.867 10.739 6.229 1.00 0.00 C ATOM 1108 OG SER A 76 10.422 11.762 7.104 1.00 0.00 O ATOM 0 H SER A 76 9.449 11.098 3.869 1.00 0.00 H new ATOM 0 HA SER A 76 12.007 12.084 4.984 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.080 9.995 6.107 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.724 10.229 6.669 1.00 0.00 H new ATOM 0 HG SER A 76 10.180 11.370 7.969 1.00 0.00 H new ATOM 1114 N SER A 77 13.071 9.792 4.284 1.00 0.00 N ATOM 1115 CA SER A 77 13.755 8.707 3.599 1.00 0.00 C ATOM 1116 C SER A 77 14.216 7.726 4.675 1.00 0.00 C ATOM 1117 O SER A 77 14.920 8.131 5.606 1.00 0.00 O ATOM 1118 CB SER A 77 14.943 9.265 2.799 1.00 0.00 C ATOM 1119 OG SER A 77 14.582 10.361 1.964 1.00 0.00 O ATOM 0 H SER A 77 13.620 10.201 5.040 1.00 0.00 H new ATOM 0 HA SER A 77 13.100 8.201 2.889 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.723 9.583 3.491 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.366 8.470 2.185 1.00 0.00 H new ATOM 0 HG SER A 77 15.373 10.678 1.480 1.00 0.00 H new ATOM 1125 N VAL A 78 13.822 6.456 4.588 1.00 0.00 N ATOM 1126 CA VAL A 78 14.079 5.442 5.612 1.00 0.00 C ATOM 1127 C VAL A 78 14.166 4.069 4.941 1.00 0.00 C ATOM 1128 O VAL A 78 13.403 3.790 4.007 1.00 0.00 O ATOM 1129 CB VAL A 78 12.934 5.449 6.664 1.00 0.00 C ATOM 1130 CG1 VAL A 78 13.276 4.579 7.880 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.558 6.842 7.207 1.00 0.00 C ATOM 0 H VAL A 78 13.304 6.095 3.787 1.00 0.00 H new ATOM 0 HA VAL A 78 15.019 5.662 6.119 1.00 0.00 H new ATOM 0 HB VAL A 78 12.084 5.055 6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.452 4.609 8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.439 3.551 7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 78 14.181 4.958 8.355 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.751 6.744 7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.427 7.292 7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 78 12.230 7.477 6.384 1.00 0.00 H new ATOM 1141 N ASP A 79 14.983 3.171 5.488 1.00 0.00 N ATOM 1142 CA ASP A 79 15.105 1.790 5.034 1.00 0.00 C ATOM 1143 C ASP A 79 14.358 0.890 6.011 1.00 0.00 C ATOM 1144 O ASP A 79 14.622 0.940 7.220 1.00 0.00 O ATOM 1145 CB ASP A 79 16.580 1.386 4.991 1.00 0.00 C ATOM 1146 CG ASP A 79 16.841 -0.029 4.453 1.00 0.00 C ATOM 1147 OD1 ASP A 79 16.130 -0.990 4.828 1.00 0.00 O ATOM 1148 OD2 ASP A 79 17.837 -0.166 3.706 1.00 0.00 O ATOM 0 H ASP A 79 15.592 3.390 6.277 1.00 0.00 H new ATOM 0 HA ASP A 79 14.683 1.690 4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.121 2.101 4.372 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.993 1.460 5.997 1.00 0.00 H new ATOM 1153 N ALA A 80 13.417 0.088 5.516 1.00 0.00 N ATOM 1154 CA ALA A 80 12.707 -0.917 6.295 1.00 0.00 C ATOM 1155 C ALA A 80 12.633 -2.191 5.459 1.00 0.00 C ATOM 1156 O ALA A 80 12.316 -2.132 4.271 1.00 0.00 O ATOM 1157 CB ALA A 80 11.317 -0.417 6.680 1.00 0.00 C ATOM 0 H ALA A 80 13.123 0.122 4.540 1.00 0.00 H new ATOM 0 HA ALA A 80 13.236 -1.122 7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.803 -1.182 7.261 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.409 0.491 7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.745 -0.202 5.778 1.00 0.00 H new ATOM 1163 N ASN A 81 12.925 -3.338 6.076 1.00 0.00 N ATOM 1164 CA ASN A 81 13.020 -4.661 5.453 1.00 0.00 C ATOM 1165 C ASN A 81 13.942 -4.677 4.218 1.00 0.00 C ATOM 1166 O ASN A 81 13.777 -5.507 3.320 1.00 0.00 O ATOM 1167 CB ASN A 81 11.615 -5.263 5.227 1.00 0.00 C ATOM 1168 CG ASN A 81 10.923 -5.545 6.558 1.00 0.00 C ATOM 1169 OD1 ASN A 81 11.413 -6.344 7.352 1.00 0.00 O ATOM 1170 ND2 ASN A 81 9.815 -4.887 6.856 1.00 0.00 N ATOM 0 H ASN A 81 13.112 -3.371 7.078 1.00 0.00 H new ATOM 0 HA ASN A 81 13.522 -5.332 6.150 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.010 -4.574 4.637 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.698 -6.186 4.653 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.357 -5.040 7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.419 -4.226 6.187 1.00 0.00 H new ATOM 1177 N GLY A 82 14.937 -3.780 4.172 1.00 0.00 N ATOM 1178 CA GLY A 82 15.909 -3.665 3.091 1.00 0.00 C ATOM 1179 C GLY A 82 15.410 -2.798 1.935 1.00 0.00 C ATOM 1180 O GLY A 82 16.108 -2.655 0.924 1.00 0.00 O ATOM 0 H GLY A 82 15.087 -3.095 4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.834 -3.242 3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.148 -4.660 2.716 1.00 0.00 H new ATOM 1184 N ILE A 83 14.240 -2.179 2.061 1.00 0.00 N ATOM 1185 CA ILE A 83 13.582 -1.431 1.003 1.00 0.00 C ATOM 1186 C ILE A 83 13.821 0.027 1.351 1.00 0.00 C ATOM 1187 O ILE A 83 13.634 0.411 2.506 1.00 0.00 O ATOM 1188 CB ILE A 83 12.081 -1.775 0.978 1.00 0.00 C ATOM 1189 CG1 ILE A 83 11.839 -3.290 0.840 1.00 0.00 C ATOM 1190 CG2 ILE A 83 11.387 -1.035 -0.178 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.482 -3.688 1.419 1.00 0.00 C ATOM 0 H ILE A 83 13.709 -2.187 2.932 1.00 0.00 H new ATOM 0 HA ILE A 83 13.966 -1.666 0.010 1.00 0.00 H new ATOM 0 HB ILE A 83 11.658 -1.453 1.930 1.00 0.00 H new ATOM 0 HG12 ILE A 83 11.886 -3.574 -0.211 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.631 -3.836 1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.326 -1.286 -0.186 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.505 0.040 -0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.838 -1.334 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.340 -4.763 1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.446 -3.425 2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.691 -3.160 0.887 1.00 0.00 H new ATOM 1203 N GLN A 84 14.180 0.851 0.367 1.00 0.00 N ATOM 1204 CA GLN A 84 14.561 2.225 0.635 1.00 0.00 C ATOM 1205 C GLN A 84 13.397 3.112 0.234 1.00 0.00 C ATOM 1206 O GLN A 84 12.891 2.999 -0.884 1.00 0.00 O ATOM 1207 CB GLN A 84 15.836 2.560 -0.160 1.00 0.00 C ATOM 1208 CG GLN A 84 16.429 3.930 0.213 1.00 0.00 C ATOM 1209 CD GLN A 84 16.881 3.991 1.672 1.00 0.00 C ATOM 1210 OE1 GLN A 84 16.327 4.724 2.486 1.00 0.00 O ATOM 1211 NE2 GLN A 84 17.887 3.220 2.042 1.00 0.00 N ATOM 0 H GLN A 84 14.213 0.586 -0.617 1.00 0.00 H new ATOM 0 HA GLN A 84 14.781 2.383 1.691 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.583 1.786 0.017 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.608 2.546 -1.226 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.277 4.145 -0.437 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.685 4.706 0.033 1.00 0.00 H new ATOM 0 HE21 GLN A 84 18.342 2.614 1.360 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.209 3.231 3.010 1.00 0.00 H new ATOM 1220 N SER A 85 12.973 3.975 1.153 1.00 0.00 N ATOM 1221 CA SER A 85 11.963 4.980 0.890 1.00 0.00 C ATOM 1222 C SER A 85 12.676 6.320 0.750 1.00 0.00 C ATOM 1223 O SER A 85 13.690 6.534 1.418 1.00 0.00 O ATOM 1224 CB SER A 85 10.868 4.977 1.961 1.00 0.00 C ATOM 1225 OG SER A 85 11.352 5.280 3.253 1.00 0.00 O ATOM 0 H SER A 85 13.328 3.991 2.109 1.00 0.00 H new ATOM 0 HA SER A 85 11.434 4.764 -0.038 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.100 5.701 1.689 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.390 3.998 1.980 1.00 0.00 H new ATOM 0 HG SER A 85 11.921 4.548 3.569 1.00 0.00 H new ATOM 1231 N GLN A 86 12.177 7.210 -0.108 1.00 0.00 N ATOM 1232 CA GLN A 86 12.788 8.510 -0.369 1.00 0.00 C ATOM 1233 C GLN A 86 11.740 9.624 -0.285 1.00 0.00 C ATOM 1234 O GLN A 86 10.578 9.404 -0.626 1.00 0.00 O ATOM 1235 CB GLN A 86 13.524 8.457 -1.720 1.00 0.00 C ATOM 1236 CG GLN A 86 12.604 8.186 -2.922 1.00 0.00 C ATOM 1237 CD GLN A 86 13.396 7.822 -4.173 1.00 0.00 C ATOM 1238 OE1 GLN A 86 13.967 8.687 -4.825 1.00 0.00 O ATOM 1239 NE2 GLN A 86 13.457 6.552 -4.545 1.00 0.00 N ATOM 0 H GLN A 86 11.327 7.045 -0.647 1.00 0.00 H new ATOM 0 HA GLN A 86 13.529 8.744 0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.042 9.403 -1.878 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.287 7.680 -1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.917 7.375 -2.678 1.00 0.00 H new ATOM 0 HG3 GLN A 86 11.997 9.069 -3.121 1.00 0.00 H new ATOM 0 HE21 GLN A 86 12.979 5.837 -3.997 1.00 0.00 H new ATOM 0 HE22 GLN A 86 13.982 6.290 -5.379 1.00 0.00 H new ATOM 1248 N MET A 87 12.126 10.808 0.193 1.00 0.00 N ATOM 1249 CA MET A 87 11.224 11.953 0.309 1.00 0.00 C ATOM 1250 C MET A 87 10.739 12.441 -1.070 1.00 0.00 C ATOM 1251 O MET A 87 11.294 12.059 -2.100 1.00 0.00 O ATOM 1252 CB MET A 87 11.893 13.058 1.149 1.00 0.00 C ATOM 1253 CG MET A 87 13.085 13.744 0.467 1.00 0.00 C ATOM 1254 SD MET A 87 12.642 15.058 -0.708 1.00 0.00 S ATOM 1255 CE MET A 87 13.704 14.597 -2.104 1.00 0.00 C ATOM 0 H MET A 87 13.076 11.000 0.511 1.00 0.00 H new ATOM 0 HA MET A 87 10.320 11.645 0.835 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.146 13.814 1.393 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.229 12.626 2.092 1.00 0.00 H new ATOM 0 HG2 MET A 87 13.731 14.167 1.236 1.00 0.00 H new ATOM 0 HG3 MET A 87 13.668 12.988 -0.059 1.00 0.00 H new ATOM 0 HE1 MET A 87 13.558 15.304 -2.921 1.00 0.00 H new ATOM 0 HE2 MET A 87 14.747 14.616 -1.789 1.00 0.00 H new ATOM 0 HE3 MET A 87 13.445 13.594 -2.442 1.00 0.00 H new ATOM 1265 N LEU A 88 9.717 13.310 -1.099 1.00 0.00 N ATOM 1266 CA LEU A 88 9.146 13.871 -2.325 1.00 0.00 C ATOM 1267 C LEU A 88 8.829 15.352 -2.140 1.00 0.00 C ATOM 1268 O LEU A 88 8.758 15.859 -1.017 1.00 0.00 O ATOM 1269 CB LEU A 88 7.845 13.194 -2.769 1.00 0.00 C ATOM 1270 CG LEU A 88 7.818 11.662 -2.697 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.245 11.204 -1.357 1.00 0.00 C ATOM 1272 CD2 LEU A 88 6.922 11.173 -3.824 1.00 0.00 C ATOM 0 H LEU A 88 9.258 13.647 -0.253 1.00 0.00 H new ATOM 0 HA LEU A 88 9.907 13.705 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.031 13.580 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.637 13.492 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 88 8.827 11.260 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.232 10.115 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.865 11.587 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.229 11.583 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.877 10.084 -3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.919 11.580 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.327 11.504 -4.780 1.00 0.00 H new ATOM 1284 N SER A 89 8.495 16.010 -3.246 1.00 0.00 N ATOM 1285 CA SER A 89 8.242 17.430 -3.345 1.00 0.00 C ATOM 1286 C SER A 89 6.760 17.732 -3.623 1.00 0.00 C ATOM 1287 O SER A 89 6.387 18.066 -4.748 1.00 0.00 O ATOM 1288 CB SER A 89 9.213 18.002 -4.395 1.00 0.00 C ATOM 1289 OG SER A 89 9.370 17.116 -5.497 1.00 0.00 O ATOM 0 H SER A 89 8.390 15.534 -4.142 1.00 0.00 H new ATOM 0 HA SER A 89 8.432 17.927 -2.393 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.842 18.963 -4.750 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.183 18.186 -3.933 1.00 0.00 H new ATOM 0 HG SER A 89 9.990 17.508 -6.146 1.00 0.00 H new ATOM 1295 N ARG A 90 5.907 17.643 -2.586 1.00 0.00 N ATOM 1296 CA ARG A 90 4.491 18.045 -2.686 1.00 0.00 C ATOM 1297 C ARG A 90 3.678 17.147 -3.630 1.00 0.00 C ATOM 1298 O ARG A 90 3.237 17.579 -4.700 1.00 0.00 O ATOM 1299 CB ARG A 90 4.378 19.571 -2.892 1.00 0.00 C ATOM 1300 CG ARG A 90 2.949 20.144 -3.043 1.00 0.00 C ATOM 1301 CD ARG A 90 2.850 21.149 -4.206 1.00 0.00 C ATOM 1302 NE ARG A 90 3.315 20.553 -5.473 1.00 0.00 N ATOM 1303 CZ ARG A 90 2.586 20.115 -6.504 1.00 0.00 C ATOM 1304 NH1 ARG A 90 1.301 20.424 -6.639 1.00 0.00 N ATOM 1305 NH2 ARG A 90 3.186 19.343 -7.404 1.00 0.00 N ATOM 0 H ARG A 90 6.175 17.295 -1.665 1.00 0.00 H new ATOM 0 HA ARG A 90 3.992 17.862 -1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.856 20.066 -2.046 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.948 19.838 -3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.247 19.327 -3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.655 20.634 -2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.817 21.481 -4.315 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.446 22.032 -3.977 1.00 0.00 H new ATOM 0 HE ARG A 90 4.326 20.463 -5.576 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.842 21.012 -5.943 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.773 20.073 -7.438 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.171 19.103 -7.295 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.661 18.990 -8.204 1.00 0.00 H new ATOM 1319 N TRP A 91 3.580 15.857 -3.304 1.00 0.00 N ATOM 1320 CA TRP A 91 2.728 14.944 -4.055 1.00 0.00 C ATOM 1321 C TRP A 91 1.300 15.071 -3.514 1.00 0.00 C ATOM 1322 O TRP A 91 1.018 14.683 -2.380 1.00 0.00 O ATOM 1323 CB TRP A 91 3.229 13.498 -3.997 1.00 0.00 C ATOM 1324 CG TRP A 91 2.996 12.746 -5.271 1.00 0.00 C ATOM 1325 CD1 TRP A 91 1.807 12.324 -5.751 1.00 0.00 C ATOM 1326 CD2 TRP A 91 3.978 12.331 -6.255 1.00 0.00 C ATOM 1327 NE1 TRP A 91 1.989 11.672 -6.956 1.00 0.00 N ATOM 1328 CE2 TRP A 91 3.326 11.599 -7.289 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.369 12.495 -6.354 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 4.039 11.012 -8.345 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.104 11.858 -7.364 1.00 0.00 C ATOM 1332 CH2 TRP A 91 5.442 11.122 -8.366 1.00 0.00 C ATOM 0 H TRP A 91 4.080 15.425 -2.527 1.00 0.00 H new ATOM 0 HA TRP A 91 2.751 15.217 -5.110 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.295 13.498 -3.771 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.730 12.979 -3.179 1.00 0.00 H new ATOM 0 HD1 TRP A 91 0.854 12.474 -5.265 1.00 0.00 H new ATOM 0 HE1 TRP A 91 1.232 11.294 -7.526 1.00 0.00 H new ATOM 0 HE3 TRP A 91 5.882 13.123 -5.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 3.519 10.483 -9.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.181 11.932 -7.374 1.00 0.00 H new ATOM 0 HH2 TRP A 91 6.010 10.643 -9.149 1.00 0.00 H new ATOM 1343 N SER A 92 0.371 15.602 -4.307 1.00 0.00 N ATOM 1344 CA SER A 92 -1.016 15.815 -3.897 1.00 0.00 C ATOM 1345 C SER A 92 -1.848 14.515 -3.951 1.00 0.00 C ATOM 1346 O SER A 92 -3.037 14.543 -4.280 1.00 0.00 O ATOM 1347 CB SER A 92 -1.623 16.931 -4.750 1.00 0.00 C ATOM 1348 OG SER A 92 -0.818 18.098 -4.682 1.00 0.00 O ATOM 0 H SER A 92 0.562 15.900 -5.264 1.00 0.00 H new ATOM 0 HA SER A 92 -1.032 16.124 -2.852 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.709 16.601 -5.785 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.631 17.156 -4.402 1.00 0.00 H new ATOM 0 HG SER A 92 -1.217 18.803 -5.233 1.00 0.00 H new ATOM 1354 N ALA A 93 -1.229 13.369 -3.655 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.806 12.040 -3.643 1.00 0.00 C ATOM 1356 C ALA A 93 -0.835 11.151 -2.869 1.00 0.00 C ATOM 1357 O ALA A 93 0.276 10.891 -3.339 1.00 0.00 O ATOM 1358 CB ALA A 93 -1.988 11.522 -5.075 1.00 0.00 C ATOM 0 H ALA A 93 -0.241 13.355 -3.401 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.790 12.043 -3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.422 10.523 -5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.652 12.191 -5.622 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.020 11.483 -5.574 1.00 0.00 H new ATOM 1364 N SER A 94 -1.232 10.708 -1.681 1.00 0.00 N ATOM 1365 CA SER A 94 -0.449 9.785 -0.871 1.00 0.00 C ATOM 1366 C SER A 94 -1.325 8.611 -0.423 1.00 0.00 C ATOM 1367 O SER A 94 -2.523 8.570 -0.724 1.00 0.00 O ATOM 1368 CB SER A 94 0.162 10.529 0.325 1.00 0.00 C ATOM 1369 OG SER A 94 0.628 11.832 0.012 1.00 0.00 O ATOM 0 H SER A 94 -2.115 10.983 -1.250 1.00 0.00 H new ATOM 0 HA SER A 94 0.371 9.380 -1.464 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.584 10.601 1.116 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.991 9.942 0.721 1.00 0.00 H new ATOM 0 HG SER A 94 -0.026 12.495 0.317 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.734 7.651 0.283 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.409 6.530 0.905 1.00 0.00 C ATOM 1377 C PHE A 95 -0.575 6.022 2.078 1.00 0.00 C ATOM 1378 O PHE A 95 0.522 6.514 2.336 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.673 5.428 -0.140 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.481 4.629 -0.650 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -0.120 3.426 -0.013 1.00 0.00 C ATOM 1382 CD2 PHE A 95 0.201 5.019 -1.819 1.00 0.00 C ATOM 1383 CE1 PHE A 95 0.871 2.595 -0.566 1.00 0.00 C ATOM 1384 CE2 PHE A 95 1.222 4.209 -2.349 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.539 2.982 -1.740 1.00 0.00 C ATOM 0 H PHE A 95 0.274 7.638 0.441 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.377 6.845 1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.388 4.725 0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.157 5.891 -1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.608 3.139 0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.061 5.944 -2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.119 1.659 -0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.764 4.531 -3.226 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.292 2.340 -2.172 1.00 0.00 H new ATOM 1395 N THR A 96 -1.118 5.080 2.835 1.00 0.00 N ATOM 1396 CA THR A 96 -0.451 4.367 3.905 1.00 0.00 C ATOM 1397 C THR A 96 -1.057 2.964 3.843 1.00 0.00 C ATOM 1398 O THR A 96 -2.241 2.808 3.535 1.00 0.00 O ATOM 1399 CB THR A 96 -0.576 5.103 5.253 1.00 0.00 C ATOM 1400 OG1 THR A 96 0.308 4.538 6.193 1.00 0.00 O ATOM 1401 CG2 THR A 96 -1.997 5.148 5.827 1.00 0.00 C ATOM 0 H THR A 96 -2.085 4.780 2.710 1.00 0.00 H new ATOM 0 HA THR A 96 0.632 4.306 3.795 1.00 0.00 H new ATOM 0 HB THR A 96 -0.310 6.140 5.049 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.229 4.782 5.964 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.989 5.685 6.776 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.657 5.660 5.126 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.357 4.132 5.988 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.236 1.930 3.981 1.00 0.00 N ATOM 1410 CA VAL A 97 -0.689 0.556 3.830 1.00 0.00 C ATOM 1411 C VAL A 97 -0.759 -0.104 5.207 1.00 0.00 C ATOM 1412 O VAL A 97 -0.026 0.277 6.121 1.00 0.00 O ATOM 1413 CB VAL A 97 0.152 -0.124 2.744 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.594 -0.400 3.148 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.489 -1.416 2.274 1.00 0.00 C ATOM 0 H VAL A 97 0.756 2.021 4.199 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.710 0.469 3.459 1.00 0.00 H new ATOM 0 HB VAL A 97 0.182 0.599 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.117 -0.882 2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.090 0.540 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.609 -1.055 4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.133 -1.872 1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.585 -2.102 3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.476 -1.204 1.864 1.00 0.00 H new ATOM 1425 N THR A 98 -1.646 -1.084 5.347 1.00 0.00 N ATOM 1426 CA THR A 98 -1.974 -1.762 6.587 1.00 0.00 C ATOM 1427 C THR A 98 -2.347 -3.218 6.287 1.00 0.00 C ATOM 1428 O THR A 98 -2.416 -3.617 5.117 1.00 0.00 O ATOM 1429 CB THR A 98 -3.171 -1.029 7.243 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.301 -1.011 6.383 1.00 0.00 O ATOM 1431 CG2 THR A 98 -2.881 0.426 7.628 1.00 0.00 C ATOM 0 H THR A 98 -2.180 -1.442 4.555 1.00 0.00 H new ATOM 0 HA THR A 98 -1.120 -1.752 7.265 1.00 0.00 H new ATOM 0 HB THR A 98 -3.365 -1.600 8.151 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.003 -1.058 5.451 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.769 0.867 8.080 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.057 0.456 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.610 0.991 6.736 1.00 0.00 H new ATOM 1439 N LEU A 99 -2.562 -4.009 7.340 1.00 0.00 N ATOM 1440 CA LEU A 99 -3.063 -5.372 7.214 1.00 0.00 C ATOM 1441 C LEU A 99 -4.552 -5.279 6.878 1.00 0.00 C ATOM 1442 O LEU A 99 -5.202 -4.276 7.201 1.00 0.00 O ATOM 1443 CB LEU A 99 -2.939 -6.149 8.535 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.528 -6.295 9.122 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -1.551 -7.364 10.210 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -0.479 -6.648 8.073 1.00 0.00 C ATOM 0 H LEU A 99 -2.392 -3.719 8.303 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.484 -5.889 6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.567 -5.658 9.278 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.348 -7.148 8.382 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.243 -5.327 9.535 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.552 -7.474 10.633 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.247 -7.069 10.995 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.870 -8.314 9.780 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.497 -6.737 8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.740 -7.595 7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.443 -5.864 7.317 1.00 0.00 H new ATOM 1458 N GLU A 100 -5.107 -6.320 6.262 1.00 0.00 N ATOM 1459 CA GLU A 100 -6.539 -6.408 6.017 1.00 0.00 C ATOM 1460 C GLU A 100 -7.146 -7.093 7.234 1.00 0.00 C ATOM 1461 O GLU A 100 -6.523 -8.030 7.771 1.00 0.00 O ATOM 1462 CB GLU A 100 -6.855 -7.179 4.725 1.00 0.00 C ATOM 1463 CG GLU A 100 -8.277 -6.835 4.239 1.00 0.00 C ATOM 1464 CD GLU A 100 -8.998 -8.032 3.615 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -9.639 -8.807 4.367 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -8.976 -8.202 2.377 1.00 0.00 O ATOM 1467 OXT GLU A 100 -8.237 -6.692 7.687 1.00 0.00 O ATOM 0 H GLU A 100 -4.577 -7.122 5.921 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.963 -5.414 5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -6.127 -6.926 3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -6.772 -8.251 4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.863 -6.462 5.079 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.221 -6.029 3.507 1.00 0.00 H new TER 1474 GLU A 100