USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 614 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 23 HIS : no HD1:sc= 0.148 K(o=1.6,f=-4.8!) USER MOD Set 1.2: A 75 LYS NZ :NH3+ -145:sc= 1.45 (180deg=0.608) USER MOD Set 2.1: A 35 THR OG1 : rot -67:sc= 0.31 USER MOD Set 2.2: A 59 ASN : amide:sc= 0 X(o=0.31,f=0.16) USER MOD Single : A 1 SER N :NH3+ 150:sc= 0.0253 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0134 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.589 K(o=0.59,f=-1.1) USER MOD Single : A 29 GLN : amide:sc= 0.375 X(o=0.38,f=0) USER MOD Single : A 33 TYR OH : rot -167:sc= 0.546 USER MOD Single : A 37 ASN : amide:sc= 0.723 K(o=0.72,f=-0.13) USER MOD Single : A 54 THR OG1 : rot 155:sc= 0.399 USER MOD Single : A 57 CYS SG : rot -143:sc= -1.62 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 21.741 -0.839 3.177 1.00 0.00 N ATOM 2 CA SER A 1 22.366 -0.378 1.914 1.00 0.00 C ATOM 3 C SER A 1 21.343 0.277 0.989 1.00 0.00 C ATOM 4 O SER A 1 20.163 -0.079 1.013 1.00 0.00 O ATOM 5 CB SER A 1 23.069 -1.533 1.192 1.00 0.00 C ATOM 6 OG SER A 1 24.009 -2.133 2.070 1.00 0.00 O ATOM 0 H1 SER A 1 22.254 -1.670 3.535 1.00 0.00 H new ATOM 0 H2 SER A 1 21.781 -0.076 3.883 1.00 0.00 H new ATOM 0 H3 SER A 1 20.749 -1.095 3.000 1.00 0.00 H new ATOM 0 HA SER A 1 23.112 0.371 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 1 22.337 -2.271 0.865 1.00 0.00 H new ATOM 0 HB3 SER A 1 23.573 -1.165 0.298 1.00 0.00 H new ATOM 0 HG SER A 1 24.459 -2.873 1.611 1.00 0.00 H new ATOM 14 N MET A 2 21.778 1.231 0.152 1.00 0.00 N ATOM 15 CA MET A 2 20.896 1.994 -0.754 1.00 0.00 C ATOM 16 C MET A 2 20.405 1.169 -1.963 1.00 0.00 C ATOM 17 O MET A 2 19.275 1.355 -2.415 1.00 0.00 O ATOM 18 CB MET A 2 21.645 3.266 -1.197 1.00 0.00 C ATOM 19 CG MET A 2 20.777 4.245 -1.999 1.00 0.00 C ATOM 20 SD MET A 2 19.488 5.082 -1.035 1.00 0.00 S ATOM 21 CE MET A 2 18.737 6.079 -2.353 1.00 0.00 C ATOM 0 H MET A 2 22.760 1.499 0.082 1.00 0.00 H new ATOM 0 HA MET A 2 19.989 2.262 -0.212 1.00 0.00 H new ATOM 0 HB2 MET A 2 22.031 3.776 -0.314 1.00 0.00 H new ATOM 0 HB3 MET A 2 22.506 2.978 -1.801 1.00 0.00 H new ATOM 0 HG2 MET A 2 21.424 4.999 -2.447 1.00 0.00 H new ATOM 0 HG3 MET A 2 20.304 3.703 -2.818 1.00 0.00 H new ATOM 0 HE1 MET A 2 17.916 6.667 -1.942 1.00 0.00 H new ATOM 0 HE2 MET A 2 19.487 6.748 -2.775 1.00 0.00 H new ATOM 0 HE3 MET A 2 18.356 5.421 -3.135 1.00 0.00 H new ATOM 31 N ALA A 3 21.234 0.239 -2.459 1.00 0.00 N ATOM 32 CA ALA A 3 20.940 -0.670 -3.579 1.00 0.00 C ATOM 33 C ALA A 3 20.469 0.026 -4.883 1.00 0.00 C ATOM 34 O ALA A 3 19.676 -0.523 -5.654 1.00 0.00 O ATOM 35 CB ALA A 3 20.019 -1.797 -3.086 1.00 0.00 C ATOM 0 H ALA A 3 22.168 0.093 -2.075 1.00 0.00 H new ATOM 0 HA ALA A 3 21.881 -1.115 -3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 3 19.798 -2.473 -3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 3 20.515 -2.349 -2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 3 19.090 -1.369 -2.709 1.00 0.00 H new ATOM 41 N ASP A 4 20.953 1.246 -5.136 1.00 0.00 N ATOM 42 CA ASP A 4 20.649 2.041 -6.334 1.00 0.00 C ATOM 43 C ASP A 4 21.357 1.541 -7.603 1.00 0.00 C ATOM 44 O ASP A 4 22.400 0.885 -7.534 1.00 0.00 O ATOM 45 CB ASP A 4 20.975 3.518 -6.074 1.00 0.00 C ATOM 46 CG ASP A 4 22.473 3.767 -5.821 1.00 0.00 C ATOM 47 OD1 ASP A 4 22.961 3.436 -4.714 1.00 0.00 O ATOM 48 OD2 ASP A 4 23.159 4.308 -6.723 1.00 0.00 O ATOM 0 H ASP A 4 21.586 1.724 -4.495 1.00 0.00 H new ATOM 0 HA ASP A 4 19.582 1.925 -6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 4 20.653 4.112 -6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 4 20.404 3.864 -5.213 1.00 0.00 H new ATOM 53 N ARG A 5 20.839 1.829 -8.801 1.00 0.00 N ATOM 54 CA ARG A 5 19.619 2.583 -9.175 1.00 0.00 C ATOM 55 C ARG A 5 18.627 1.725 -9.979 1.00 0.00 C ATOM 56 O ARG A 5 19.007 0.708 -10.563 1.00 0.00 O ATOM 57 CB ARG A 5 20.012 3.874 -9.925 1.00 0.00 C ATOM 58 CG ARG A 5 20.717 3.635 -11.272 1.00 0.00 C ATOM 59 CD ARG A 5 21.085 4.968 -11.936 1.00 0.00 C ATOM 60 NE ARG A 5 21.764 4.760 -13.232 1.00 0.00 N ATOM 61 CZ ARG A 5 23.056 4.572 -13.442 1.00 0.00 C ATOM 62 NH1 ARG A 5 23.925 4.537 -12.470 1.00 0.00 N ATOM 63 NH2 ARG A 5 23.506 4.408 -14.653 1.00 0.00 N ATOM 0 H ARG A 5 21.318 1.503 -9.640 1.00 0.00 H new ATOM 0 HA ARG A 5 19.095 2.862 -8.260 1.00 0.00 H new ATOM 0 HB2 ARG A 5 19.114 4.467 -10.099 1.00 0.00 H new ATOM 0 HB3 ARG A 5 20.667 4.466 -9.286 1.00 0.00 H new ATOM 0 HG2 ARG A 5 21.617 3.040 -11.116 1.00 0.00 H new ATOM 0 HG3 ARG A 5 20.066 3.062 -11.932 1.00 0.00 H new ATOM 0 HD2 ARG A 5 20.183 5.561 -12.088 1.00 0.00 H new ATOM 0 HD3 ARG A 5 21.734 5.539 -11.272 1.00 0.00 H new ATOM 0 HE ARG A 5 21.168 4.762 -14.060 1.00 0.00 H new ATOM 0 HH11 ARG A 5 23.616 4.657 -11.505 1.00 0.00 H new ATOM 0 HH12 ARG A 5 24.913 4.390 -12.675 1.00 0.00 H new ATOM 0 HH21 ARG A 5 22.861 4.424 -15.443 1.00 0.00 H new ATOM 0 HH22 ARG A 5 24.503 4.263 -14.811 1.00 0.00 H new ATOM 77 N VAL A 6 17.364 2.150 -10.014 1.00 0.00 N ATOM 78 CA VAL A 6 16.237 1.475 -10.680 1.00 0.00 C ATOM 79 C VAL A 6 15.429 2.441 -11.556 1.00 0.00 C ATOM 80 O VAL A 6 15.437 3.656 -11.338 1.00 0.00 O ATOM 81 CB VAL A 6 15.318 0.784 -9.650 1.00 0.00 C ATOM 82 CG1 VAL A 6 16.021 -0.403 -8.981 1.00 0.00 C ATOM 83 CG2 VAL A 6 14.791 1.723 -8.555 1.00 0.00 C ATOM 0 H VAL A 6 17.079 3.017 -9.558 1.00 0.00 H new ATOM 0 HA VAL A 6 16.662 0.713 -11.333 1.00 0.00 H new ATOM 0 HB VAL A 6 14.462 0.441 -10.231 1.00 0.00 H new ATOM 0 HG11 VAL A 6 15.346 -0.867 -8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 6 16.302 -1.134 -9.739 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.916 -0.053 -8.466 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.153 1.163 -7.871 1.00 0.00 H new ATOM 0 HG22 VAL A 6 15.631 2.146 -8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.214 2.527 -9.012 1.00 0.00 H new ATOM 93 N LEU A 7 14.719 1.896 -12.545 1.00 0.00 N ATOM 94 CA LEU A 7 13.802 2.638 -13.424 1.00 0.00 C ATOM 95 C LEU A 7 12.436 2.895 -12.754 1.00 0.00 C ATOM 96 O LEU A 7 12.070 2.229 -11.779 1.00 0.00 O ATOM 97 CB LEU A 7 13.642 1.883 -14.762 1.00 0.00 C ATOM 98 CG LEU A 7 14.943 1.672 -15.563 1.00 0.00 C ATOM 99 CD1 LEU A 7 14.634 0.898 -16.846 1.00 0.00 C ATOM 100 CD2 LEU A 7 15.615 2.991 -15.955 1.00 0.00 C ATOM 0 H LEU A 7 14.764 0.901 -12.766 1.00 0.00 H new ATOM 0 HA LEU A 7 14.236 3.619 -13.620 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.199 0.908 -14.559 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.936 2.430 -15.386 1.00 0.00 H new ATOM 0 HG LEU A 7 15.625 1.119 -14.917 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.554 0.749 -17.412 1.00 0.00 H new ATOM 0 HD12 LEU A 7 14.204 -0.071 -16.592 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.924 1.463 -17.450 1.00 0.00 H new ATOM 0 HD21 LEU A 7 16.526 2.783 -16.517 1.00 0.00 H new ATOM 0 HD22 LEU A 7 14.934 3.577 -16.572 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.864 3.554 -15.055 1.00 0.00 H new ATOM 112 N ARG A 8 11.668 3.848 -13.300 1.00 0.00 N ATOM 113 CA ARG A 8 10.320 4.245 -12.841 1.00 0.00 C ATOM 114 C ARG A 8 9.306 4.214 -13.993 1.00 0.00 C ATOM 115 O ARG A 8 9.656 4.496 -15.140 1.00 0.00 O ATOM 116 CB ARG A 8 10.417 5.626 -12.158 1.00 0.00 C ATOM 117 CG ARG A 8 9.152 6.010 -11.374 1.00 0.00 C ATOM 118 CD ARG A 8 9.364 7.315 -10.598 1.00 0.00 C ATOM 119 NE ARG A 8 8.181 7.645 -9.776 1.00 0.00 N ATOM 120 CZ ARG A 8 8.145 8.442 -8.723 1.00 0.00 C ATOM 121 NH1 ARG A 8 9.198 9.083 -8.298 1.00 0.00 N ATOM 122 NH2 ARG A 8 7.034 8.616 -8.066 1.00 0.00 N ATOM 0 H ARG A 8 11.978 4.389 -14.108 1.00 0.00 H new ATOM 0 HA ARG A 8 9.948 3.528 -12.109 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.270 5.628 -11.480 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.610 6.385 -12.916 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.314 6.123 -12.061 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.891 5.209 -10.682 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.241 7.222 -9.957 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.564 8.128 -11.296 1.00 0.00 H new ATOM 0 HE ARG A 8 7.299 7.212 -10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 8 10.089 8.978 -8.783 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.130 9.690 -7.481 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.185 8.136 -8.364 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.013 9.233 -7.254 1.00 0.00 H new ATOM 136 N GLY A 9 8.045 3.893 -13.686 1.00 0.00 N ATOM 137 CA GLY A 9 6.958 3.741 -14.669 1.00 0.00 C ATOM 138 C GLY A 9 6.441 5.043 -15.307 1.00 0.00 C ATOM 139 O GLY A 9 5.662 4.985 -16.261 1.00 0.00 O ATOM 0 H GLY A 9 7.741 3.727 -12.727 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.304 3.082 -15.465 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.121 3.241 -14.182 1.00 0.00 H new ATOM 143 N SER A 10 6.864 6.211 -14.808 1.00 0.00 N ATOM 144 CA SER A 10 6.531 7.538 -15.349 1.00 0.00 C ATOM 145 C SER A 10 7.676 8.538 -15.132 1.00 0.00 C ATOM 146 O SER A 10 8.423 8.437 -14.153 1.00 0.00 O ATOM 147 CB SER A 10 5.243 8.059 -14.700 1.00 0.00 C ATOM 148 OG SER A 10 4.815 9.250 -15.341 1.00 0.00 O ATOM 0 H SER A 10 7.469 6.262 -13.988 1.00 0.00 H new ATOM 0 HA SER A 10 6.379 7.435 -16.423 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.462 7.301 -14.767 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.413 8.249 -13.640 1.00 0.00 H new ATOM 0 HG SER A 10 3.991 9.571 -14.918 1.00 0.00 H new ATOM 154 N ARG A 11 7.810 9.514 -16.041 1.00 0.00 N ATOM 155 CA ARG A 11 8.801 10.601 -15.986 1.00 0.00 C ATOM 156 C ARG A 11 8.198 11.832 -15.297 1.00 0.00 C ATOM 157 O ARG A 11 7.520 12.643 -15.931 1.00 0.00 O ATOM 158 CB ARG A 11 9.311 10.890 -17.414 1.00 0.00 C ATOM 159 CG ARG A 11 10.466 11.906 -17.436 1.00 0.00 C ATOM 160 CD ARG A 11 10.882 12.224 -18.878 1.00 0.00 C ATOM 161 NE ARG A 11 11.949 13.246 -18.913 1.00 0.00 N ATOM 162 CZ ARG A 11 12.095 14.220 -19.793 1.00 0.00 C ATOM 163 NH1 ARG A 11 11.297 14.389 -20.807 1.00 0.00 N ATOM 164 NH2 ARG A 11 13.050 15.095 -19.669 1.00 0.00 N ATOM 0 H ARG A 11 7.211 9.571 -16.864 1.00 0.00 H new ATOM 0 HA ARG A 11 9.662 10.307 -15.385 1.00 0.00 H new ATOM 0 HB2 ARG A 11 9.643 9.959 -17.873 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.488 11.268 -18.020 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.161 12.822 -16.930 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.318 11.507 -16.886 1.00 0.00 H new ATOM 0 HD2 ARG A 11 11.230 11.315 -19.368 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.017 12.578 -19.439 1.00 0.00 H new ATOM 0 HE ARG A 11 12.651 13.193 -18.175 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.514 13.752 -20.951 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.455 15.159 -21.458 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.699 15.034 -18.884 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.150 15.842 -20.357 1.00 0.00 H new ATOM 178 N LEU A 12 8.447 11.974 -13.996 1.00 0.00 N ATOM 179 CA LEU A 12 8.038 13.148 -13.213 1.00 0.00 C ATOM 180 C LEU A 12 8.918 14.363 -13.568 1.00 0.00 C ATOM 181 O LEU A 12 10.123 14.222 -13.795 1.00 0.00 O ATOM 182 CB LEU A 12 8.083 12.838 -11.703 1.00 0.00 C ATOM 183 CG LEU A 12 6.891 12.023 -11.158 1.00 0.00 C ATOM 184 CD1 LEU A 12 6.830 10.583 -11.677 1.00 0.00 C ATOM 185 CD2 LEU A 12 6.983 11.965 -9.632 1.00 0.00 C ATOM 0 H LEU A 12 8.943 11.272 -13.447 1.00 0.00 H new ATOM 0 HA LEU A 12 7.007 13.397 -13.466 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.002 12.293 -11.489 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.137 13.780 -11.157 1.00 0.00 H new ATOM 0 HG LEU A 12 5.992 12.533 -11.504 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.965 10.078 -11.248 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.743 10.591 -12.764 1.00 0.00 H new ATOM 0 HD13 LEU A 12 7.739 10.054 -11.390 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.144 11.391 -9.238 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.918 11.486 -9.342 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.952 12.976 -9.227 1.00 0.00 H new ATOM 197 N GLY A 13 8.324 15.561 -13.612 1.00 0.00 N ATOM 198 CA GLY A 13 9.029 16.811 -13.935 1.00 0.00 C ATOM 199 C GLY A 13 9.578 16.879 -15.370 1.00 0.00 C ATOM 200 O GLY A 13 10.629 17.483 -15.599 1.00 0.00 O ATOM 0 H GLY A 13 7.330 15.693 -13.423 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.348 17.648 -13.779 1.00 0.00 H new ATOM 0 HA3 GLY A 13 9.856 16.938 -13.236 1.00 0.00 H new ATOM 204 N ALA A 14 8.911 16.225 -16.328 1.00 0.00 N ATOM 205 CA ALA A 14 9.374 16.081 -17.711 1.00 0.00 C ATOM 206 C ALA A 14 9.556 17.428 -18.448 1.00 0.00 C ATOM 207 O ALA A 14 8.709 18.323 -18.372 1.00 0.00 O ATOM 208 CB ALA A 14 8.399 15.167 -18.464 1.00 0.00 C ATOM 0 H ALA A 14 8.014 15.771 -16.158 1.00 0.00 H new ATOM 0 HA ALA A 14 10.368 15.635 -17.683 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.732 15.051 -19.495 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.369 14.191 -17.981 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.403 15.609 -18.452 1.00 0.00 H new ATOM 214 N VAL A 15 10.653 17.536 -19.206 1.00 0.00 N ATOM 215 CA VAL A 15 11.039 18.683 -20.047 1.00 0.00 C ATOM 216 C VAL A 15 11.564 18.208 -21.416 1.00 0.00 C ATOM 217 O VAL A 15 12.075 17.090 -21.526 1.00 0.00 O ATOM 218 CB VAL A 15 12.094 19.561 -19.337 1.00 0.00 C ATOM 219 CG1 VAL A 15 11.483 20.342 -18.169 1.00 0.00 C ATOM 220 CG2 VAL A 15 13.313 18.785 -18.819 1.00 0.00 C ATOM 0 H VAL A 15 11.338 16.782 -19.254 1.00 0.00 H new ATOM 0 HA VAL A 15 10.148 19.289 -20.213 1.00 0.00 H new ATOM 0 HB VAL A 15 12.442 20.244 -20.112 1.00 0.00 H new ATOM 0 HG11 VAL A 15 12.254 20.948 -17.694 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.689 20.990 -18.540 1.00 0.00 H new ATOM 0 HG13 VAL A 15 11.070 19.644 -17.441 1.00 0.00 H new ATOM 0 HG21 VAL A 15 14.004 19.475 -18.335 1.00 0.00 H new ATOM 0 HG22 VAL A 15 12.987 18.033 -18.100 1.00 0.00 H new ATOM 0 HG23 VAL A 15 13.814 18.296 -19.654 1.00 0.00 H new ATOM 230 N SER A 16 11.482 18.997 -22.490 1.00 0.00 N ATOM 231 CA SER A 16 10.900 20.348 -22.595 1.00 0.00 C ATOM 232 C SER A 16 9.378 20.349 -22.834 1.00 0.00 C ATOM 233 O SER A 16 8.785 19.342 -23.231 1.00 0.00 O ATOM 234 CB SER A 16 11.632 21.130 -23.697 1.00 0.00 C ATOM 235 OG SER A 16 11.498 20.485 -24.954 1.00 0.00 O ATOM 0 H SER A 16 11.851 18.685 -23.388 1.00 0.00 H new ATOM 0 HA SER A 16 11.041 20.837 -21.631 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.230 22.141 -23.759 1.00 0.00 H new ATOM 0 HB3 SER A 16 12.688 21.222 -23.442 1.00 0.00 H new ATOM 0 HG SER A 16 11.971 21.002 -25.639 1.00 0.00 H new ATOM 241 N TYR A 17 8.746 21.499 -22.572 1.00 0.00 N ATOM 242 CA TYR A 17 7.294 21.742 -22.693 1.00 0.00 C ATOM 243 C TYR A 17 6.917 22.742 -23.806 1.00 0.00 C ATOM 244 O TYR A 17 5.743 23.062 -23.997 1.00 0.00 O ATOM 245 CB TYR A 17 6.763 22.178 -21.321 1.00 0.00 C ATOM 246 CG TYR A 17 7.459 23.389 -20.721 1.00 0.00 C ATOM 247 CD1 TYR A 17 7.003 24.689 -21.010 1.00 0.00 C ATOM 248 CD2 TYR A 17 8.574 23.207 -19.879 1.00 0.00 C ATOM 249 CE1 TYR A 17 7.667 25.806 -20.464 1.00 0.00 C ATOM 250 CE2 TYR A 17 9.247 24.320 -19.338 1.00 0.00 C ATOM 251 CZ TYR A 17 8.792 25.625 -19.630 1.00 0.00 C ATOM 252 OH TYR A 17 9.429 26.712 -19.110 1.00 0.00 O ATOM 0 H TYR A 17 9.251 22.327 -22.255 1.00 0.00 H new ATOM 0 HA TYR A 17 6.818 20.811 -23.002 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.699 22.397 -21.412 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.858 21.342 -20.628 1.00 0.00 H new ATOM 0 HD1 TYR A 17 6.145 24.830 -21.650 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.915 22.209 -19.647 1.00 0.00 H new ATOM 0 HE1 TYR A 17 7.314 26.803 -20.684 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.108 24.176 -18.702 1.00 0.00 H new ATOM 0 HH TYR A 17 10.182 26.416 -18.557 1.00 0.00 H new ATOM 262 N GLU A 18 7.916 23.239 -24.541 1.00 0.00 N ATOM 263 CA GLU A 18 7.795 24.107 -25.730 1.00 0.00 C ATOM 264 C GLU A 18 6.912 25.363 -25.521 1.00 0.00 C ATOM 265 O GLU A 18 6.190 25.805 -26.418 1.00 0.00 O ATOM 266 CB GLU A 18 7.425 23.245 -26.957 1.00 0.00 C ATOM 267 CG GLU A 18 7.897 23.846 -28.289 1.00 0.00 C ATOM 268 CD GLU A 18 7.580 22.902 -29.464 1.00 0.00 C ATOM 269 OE1 GLU A 18 6.467 22.989 -30.042 1.00 0.00 O ATOM 270 OE2 GLU A 18 8.445 22.068 -29.832 1.00 0.00 O ATOM 0 H GLU A 18 8.890 23.038 -24.314 1.00 0.00 H new ATOM 0 HA GLU A 18 8.769 24.556 -25.925 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.861 22.253 -26.840 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.343 23.116 -26.988 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.411 24.809 -28.450 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.970 24.033 -28.248 1.00 0.00 H new ATOM 277 N THR A 19 6.954 25.932 -24.308 1.00 0.00 N ATOM 278 CA THR A 19 6.154 27.105 -23.879 1.00 0.00 C ATOM 279 C THR A 19 4.626 26.897 -23.986 1.00 0.00 C ATOM 280 O THR A 19 3.862 27.862 -24.052 1.00 0.00 O ATOM 281 CB THR A 19 6.643 28.416 -24.547 1.00 0.00 C ATOM 282 OG1 THR A 19 8.042 28.399 -24.797 1.00 0.00 O ATOM 283 CG2 THR A 19 6.411 29.663 -23.684 1.00 0.00 C ATOM 0 H THR A 19 7.564 25.582 -23.569 1.00 0.00 H new ATOM 0 HA THR A 19 6.335 27.213 -22.810 1.00 0.00 H new ATOM 0 HB THR A 19 6.060 28.466 -25.467 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.309 29.242 -25.220 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.776 30.544 -24.212 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.345 29.775 -23.486 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.947 29.557 -22.741 1.00 0.00 H new ATOM 291 N ASP A 20 4.170 25.636 -23.952 1.00 0.00 N ATOM 292 CA ASP A 20 2.772 25.184 -24.110 1.00 0.00 C ATOM 293 C ASP A 20 2.123 25.511 -25.483 1.00 0.00 C ATOM 294 O ASP A 20 2.633 26.308 -26.279 1.00 0.00 O ATOM 295 CB ASP A 20 1.938 25.630 -22.886 1.00 0.00 C ATOM 296 CG ASP A 20 0.598 24.890 -22.718 1.00 0.00 C ATOM 297 OD1 ASP A 20 0.439 23.773 -23.267 1.00 0.00 O ATOM 298 OD2 ASP A 20 -0.302 25.422 -22.028 1.00 0.00 O ATOM 0 H ASP A 20 4.805 24.852 -23.804 1.00 0.00 H new ATOM 0 HA ASP A 20 2.787 24.094 -24.129 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.534 25.485 -21.985 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.740 26.699 -22.968 1.00 0.00 H new ATOM 303 N ARG A 21 1.003 24.846 -25.799 1.00 0.00 N ATOM 304 CA ARG A 21 0.294 24.950 -27.089 1.00 0.00 C ATOM 305 C ARG A 21 -0.392 26.311 -27.282 1.00 0.00 C ATOM 306 O ARG A 21 -0.872 26.927 -26.327 1.00 0.00 O ATOM 307 CB ARG A 21 -0.714 23.795 -27.263 1.00 0.00 C ATOM 308 CG ARG A 21 -0.064 22.397 -27.312 1.00 0.00 C ATOM 309 CD ARG A 21 -0.110 21.635 -25.979 1.00 0.00 C ATOM 310 NE ARG A 21 -1.479 21.177 -25.658 1.00 0.00 N ATOM 311 CZ ARG A 21 -2.200 21.423 -24.576 1.00 0.00 C ATOM 312 NH1 ARG A 21 -1.798 22.179 -23.594 1.00 0.00 N ATOM 313 NH2 ARG A 21 -3.385 20.894 -24.458 1.00 0.00 N ATOM 0 H ARG A 21 0.550 24.203 -25.149 1.00 0.00 H new ATOM 0 HA ARG A 21 1.052 24.868 -27.868 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.429 23.823 -26.441 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.278 23.954 -28.182 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.565 21.802 -28.075 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.976 22.503 -27.622 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.559 20.776 -26.028 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.255 22.279 -25.179 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.927 20.594 -26.365 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.879 22.620 -23.633 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.402 22.330 -22.786 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.752 20.294 -25.197 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.946 21.080 -23.627 1.00 0.00 H new ATOM 327 N ASN A 22 -0.464 26.758 -28.537 1.00 0.00 N ATOM 328 CA ASN A 22 -1.116 28.006 -28.953 1.00 0.00 C ATOM 329 C ASN A 22 -2.659 27.891 -28.939 1.00 0.00 C ATOM 330 O ASN A 22 -3.210 26.795 -29.078 1.00 0.00 O ATOM 331 CB ASN A 22 -0.573 28.368 -30.352 1.00 0.00 C ATOM 332 CG ASN A 22 -0.964 29.755 -30.837 1.00 0.00 C ATOM 333 OD1 ASN A 22 -1.263 30.657 -30.067 1.00 0.00 O ATOM 334 ND2 ASN A 22 -0.996 29.974 -32.129 1.00 0.00 N ATOM 0 H ASN A 22 -0.057 26.246 -29.320 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.884 28.802 -28.245 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.514 28.295 -30.337 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.932 27.631 -31.070 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.269 30.890 -32.484 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.748 29.228 -32.779 1.00 0.00 H new ATOM 341 N HIS A 23 -3.366 29.024 -28.837 1.00 0.00 N ATOM 342 CA HIS A 23 -4.822 29.089 -29.066 1.00 0.00 C ATOM 343 C HIS A 23 -5.175 28.857 -30.546 1.00 0.00 C ATOM 344 O HIS A 23 -6.132 28.142 -30.846 1.00 0.00 O ATOM 345 CB HIS A 23 -5.359 30.439 -28.571 1.00 0.00 C ATOM 346 CG HIS A 23 -6.862 30.539 -28.661 1.00 0.00 C ATOM 347 ND1 HIS A 23 -7.576 31.328 -29.567 1.00 0.00 N ATOM 348 CD2 HIS A 23 -7.743 29.842 -27.889 1.00 0.00 C ATOM 349 CE1 HIS A 23 -8.876 31.095 -29.310 1.00 0.00 C ATOM 350 NE2 HIS A 23 -9.001 30.203 -28.313 1.00 0.00 N ATOM 0 H HIS A 23 -2.949 29.922 -28.594 1.00 0.00 H new ATOM 0 HA HIS A 23 -5.299 28.288 -28.500 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -5.051 30.590 -27.537 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -4.910 31.241 -29.158 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.501 29.145 -27.101 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.701 31.559 -29.831 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.881 29.852 -27.934 1.00 0.00 H new ATOM 358 N ASP A 24 -4.334 29.384 -31.442 1.00 0.00 N ATOM 359 CA ASP A 24 -4.259 29.094 -32.883 1.00 0.00 C ATOM 360 C ASP A 24 -5.544 29.359 -33.704 1.00 0.00 C ATOM 361 O ASP A 24 -6.536 29.895 -33.201 1.00 0.00 O ATOM 362 CB ASP A 24 -3.660 27.687 -33.084 1.00 0.00 C ATOM 363 CG ASP A 24 -2.676 27.668 -34.262 1.00 0.00 C ATOM 364 OD1 ASP A 24 -3.127 27.492 -35.417 1.00 0.00 O ATOM 365 OD2 ASP A 24 -1.461 27.881 -34.029 1.00 0.00 O ATOM 0 H ASP A 24 -3.637 30.074 -31.162 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.588 29.835 -33.317 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.149 27.373 -32.174 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.461 26.970 -33.264 1.00 0.00 H new ATOM 370 N LEU A 25 -5.512 29.061 -35.007 1.00 0.00 N ATOM 371 CA LEU A 25 -6.574 29.390 -35.966 1.00 0.00 C ATOM 372 C LEU A 25 -7.693 28.332 -35.964 1.00 0.00 C ATOM 373 O LEU A 25 -7.885 27.571 -36.916 1.00 0.00 O ATOM 374 CB LEU A 25 -5.968 29.623 -37.359 1.00 0.00 C ATOM 375 CG LEU A 25 -4.902 30.734 -37.451 1.00 0.00 C ATOM 376 CD1 LEU A 25 -4.400 30.844 -38.890 1.00 0.00 C ATOM 377 CD2 LEU A 25 -5.435 32.105 -37.024 1.00 0.00 C ATOM 0 H LEU A 25 -4.727 28.572 -35.436 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.053 30.320 -35.658 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.522 28.689 -37.701 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.776 29.863 -38.050 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.099 30.455 -36.769 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.647 31.629 -38.954 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.961 29.894 -39.196 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.234 31.087 -39.549 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.641 32.847 -37.109 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.267 32.389 -37.668 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.777 32.057 -35.990 1.00 0.00 H new ATOM 389 N ALA A 26 -8.445 28.316 -34.866 1.00 0.00 N ATOM 390 CA ALA A 26 -9.649 27.509 -34.648 1.00 0.00 C ATOM 391 C ALA A 26 -10.909 28.408 -34.579 1.00 0.00 C ATOM 392 O ALA A 26 -10.829 29.482 -33.971 1.00 0.00 O ATOM 393 CB ALA A 26 -9.458 26.692 -33.364 1.00 0.00 C ATOM 0 H ALA A 26 -8.220 28.897 -34.058 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.800 26.826 -35.484 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.345 26.084 -33.184 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.589 26.043 -33.472 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.305 27.367 -32.522 1.00 0.00 H new ATOM 399 N PRO A 27 -12.077 28.004 -35.133 1.00 0.00 N ATOM 400 CA PRO A 27 -13.325 28.783 -35.054 1.00 0.00 C ATOM 401 C PRO A 27 -13.972 28.765 -33.650 1.00 0.00 C ATOM 402 O PRO A 27 -15.021 28.152 -33.423 1.00 0.00 O ATOM 403 CB PRO A 27 -14.238 28.224 -36.165 1.00 0.00 C ATOM 404 CG PRO A 27 -13.276 27.517 -37.113 1.00 0.00 C ATOM 405 CD PRO A 27 -12.227 26.971 -36.151 1.00 0.00 C ATOM 0 HA PRO A 27 -13.133 29.844 -35.212 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.980 27.535 -35.762 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.784 29.020 -36.671 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.767 26.723 -37.675 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.844 28.203 -37.842 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.548 26.027 -35.711 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.283 26.780 -36.662 1.00 0.00 H new ATOM 413 N ARG A 28 -13.333 29.431 -32.682 1.00 0.00 N ATOM 414 CA ARG A 28 -13.782 29.569 -31.285 1.00 0.00 C ATOM 415 C ARG A 28 -13.528 30.957 -30.678 1.00 0.00 C ATOM 416 O ARG A 28 -12.736 31.743 -31.197 1.00 0.00 O ATOM 417 CB ARG A 28 -13.180 28.424 -30.456 1.00 0.00 C ATOM 418 CG ARG A 28 -11.658 28.526 -30.276 1.00 0.00 C ATOM 419 CD ARG A 28 -11.110 27.289 -29.555 1.00 0.00 C ATOM 420 NE ARG A 28 -9.633 27.237 -29.594 1.00 0.00 N ATOM 421 CZ ARG A 28 -8.875 26.268 -29.111 1.00 0.00 C ATOM 422 NH1 ARG A 28 -9.368 25.273 -28.431 1.00 0.00 N ATOM 423 NH2 ARG A 28 -7.590 26.277 -29.309 1.00 0.00 N ATOM 0 H ARG A 28 -12.450 29.911 -32.855 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.869 29.487 -31.268 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.653 28.411 -29.474 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.417 27.475 -30.937 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.178 28.627 -31.250 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.414 29.422 -29.706 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.446 27.295 -28.518 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.517 26.390 -30.017 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.154 28.022 -30.035 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.371 25.223 -28.255 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.751 24.544 -28.074 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.161 27.035 -29.840 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.011 25.526 -28.933 1.00 0.00 H new ATOM 437 N GLN A 29 -14.196 31.230 -29.557 1.00 0.00 N ATOM 438 CA GLN A 29 -14.182 32.478 -28.785 1.00 0.00 C ATOM 439 C GLN A 29 -14.084 32.172 -27.288 1.00 0.00 C ATOM 440 O GLN A 29 -14.982 31.574 -26.704 1.00 0.00 O ATOM 441 CB GLN A 29 -15.473 33.289 -29.021 1.00 0.00 C ATOM 442 CG GLN A 29 -15.829 33.580 -30.490 1.00 0.00 C ATOM 443 CD GLN A 29 -17.157 32.949 -30.896 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.052 33.594 -31.422 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.319 31.664 -30.663 1.00 0.00 N ATOM 0 H GLN A 29 -14.808 30.534 -29.131 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.319 33.057 -29.114 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.305 32.751 -28.566 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.383 34.239 -28.495 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.879 34.658 -30.643 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.036 33.202 -31.136 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.571 31.127 -30.224 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.192 31.205 -30.921 1.00 0.00 H new ATOM 454 N ILE A 30 -13.015 32.615 -26.644 1.00 0.00 N ATOM 455 CA ILE A 30 -12.865 32.601 -25.184 1.00 0.00 C ATOM 456 C ILE A 30 -13.435 33.899 -24.609 1.00 0.00 C ATOM 457 O ILE A 30 -12.842 34.969 -24.764 1.00 0.00 O ATOM 458 CB ILE A 30 -11.398 32.389 -24.743 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.702 31.226 -25.482 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.338 32.185 -23.216 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.453 29.893 -25.480 1.00 0.00 C ATOM 0 H ILE A 30 -12.205 33.005 -27.127 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.423 31.751 -24.791 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.846 33.289 -25.015 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.535 31.526 -26.516 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.721 31.070 -25.033 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.303 32.036 -22.909 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.742 33.065 -22.715 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.927 31.310 -22.942 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.874 29.148 -26.026 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.597 29.558 -24.453 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.423 30.021 -25.960 1.00 0.00 H new ATOM 473 N ALA A 31 -14.562 33.799 -23.909 1.00 0.00 N ATOM 474 CA ALA A 31 -15.027 34.849 -23.009 1.00 0.00 C ATOM 475 C ALA A 31 -14.614 34.535 -21.562 1.00 0.00 C ATOM 476 O ALA A 31 -14.434 33.376 -21.182 1.00 0.00 O ATOM 477 CB ALA A 31 -16.541 35.002 -23.150 1.00 0.00 C ATOM 0 H ALA A 31 -15.178 32.987 -23.950 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.562 35.798 -23.277 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.892 35.786 -22.479 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.786 35.269 -24.178 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.027 34.061 -22.894 1.00 0.00 H new ATOM 483 N ARG A 32 -14.487 35.579 -20.745 1.00 0.00 N ATOM 484 CA ARG A 32 -14.352 35.471 -19.284 1.00 0.00 C ATOM 485 C ARG A 32 -15.637 35.943 -18.616 1.00 0.00 C ATOM 486 O ARG A 32 -16.320 36.817 -19.140 1.00 0.00 O ATOM 487 CB ARG A 32 -13.119 36.251 -18.778 1.00 0.00 C ATOM 488 CG ARG A 32 -12.011 35.293 -18.336 1.00 0.00 C ATOM 489 CD ARG A 32 -10.764 36.016 -17.821 1.00 0.00 C ATOM 490 NE ARG A 32 -9.900 35.069 -17.087 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.338 35.214 -15.899 1.00 0.00 C ATOM 492 NH1 ARG A 32 -9.432 36.291 -15.171 1.00 0.00 N ATOM 493 NH2 ARG A 32 -8.654 34.224 -15.404 1.00 0.00 N ATOM 0 H ARG A 32 -14.474 36.542 -21.080 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.191 34.426 -19.017 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.747 36.904 -19.568 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.406 36.891 -17.944 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.395 34.640 -17.552 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.734 34.655 -19.175 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.214 36.451 -18.656 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.054 36.839 -17.167 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.712 34.185 -17.560 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.966 37.091 -15.510 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.972 36.334 -14.262 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.559 33.356 -15.931 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.213 34.316 -14.489 1.00 0.00 H new ATOM 507 N TYR A 33 -15.942 35.412 -17.436 1.00 0.00 N ATOM 508 CA TYR A 33 -17.066 35.854 -16.608 1.00 0.00 C ATOM 509 C TYR A 33 -16.660 35.939 -15.128 1.00 0.00 C ATOM 510 O TYR A 33 -15.960 35.060 -14.623 1.00 0.00 O ATOM 511 CB TYR A 33 -18.271 34.932 -16.803 1.00 0.00 C ATOM 512 CG TYR A 33 -18.851 34.881 -18.200 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.262 34.075 -19.193 1.00 0.00 C ATOM 514 CD2 TYR A 33 -20.014 35.611 -18.489 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.860 33.977 -20.461 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.608 35.525 -19.760 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.054 34.676 -20.734 1.00 0.00 C ATOM 518 OH TYR A 33 -20.701 34.506 -21.912 1.00 0.00 O ATOM 0 H TYR A 33 -15.408 34.650 -17.019 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.354 36.856 -16.927 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.980 33.922 -16.515 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -19.057 35.245 -16.116 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.352 33.533 -18.981 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.455 36.242 -17.731 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.405 33.366 -21.227 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.487 36.109 -19.988 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.379 35.206 -22.017 1.00 0.00 H new ATOM 528 N ARG A 34 -17.094 37.004 -14.440 1.00 0.00 N ATOM 529 CA ARG A 34 -16.796 37.300 -13.025 1.00 0.00 C ATOM 530 C ARG A 34 -18.000 36.995 -12.138 1.00 0.00 C ATOM 531 O ARG A 34 -19.088 37.515 -12.385 1.00 0.00 O ATOM 532 CB ARG A 34 -16.345 38.766 -12.877 1.00 0.00 C ATOM 533 CG ARG A 34 -15.848 39.118 -11.466 1.00 0.00 C ATOM 534 CD ARG A 34 -15.202 40.509 -11.491 1.00 0.00 C ATOM 535 NE ARG A 34 -14.661 40.889 -10.173 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.395 40.896 -9.787 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.402 40.553 -10.558 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.092 41.273 -8.577 1.00 0.00 N ATOM 0 H ARG A 34 -17.687 37.714 -14.869 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.980 36.656 -12.696 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.549 38.966 -13.594 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.178 39.421 -13.134 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.679 39.102 -10.760 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.127 38.375 -11.126 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.401 40.524 -12.230 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.940 41.246 -11.806 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.345 41.182 -9.475 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.580 40.258 -11.518 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.447 40.580 -10.201 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.829 41.561 -7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.118 41.280 -8.274 1.00 0.00 H new ATOM 552 N THR A 35 -17.807 36.172 -11.112 1.00 0.00 N ATOM 553 CA THR A 35 -18.844 35.785 -10.137 1.00 0.00 C ATOM 554 C THR A 35 -19.082 36.894 -9.110 1.00 0.00 C ATOM 555 O THR A 35 -18.382 37.909 -9.078 1.00 0.00 O ATOM 556 CB THR A 35 -18.514 34.470 -9.412 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.331 34.610 -8.685 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.374 33.294 -10.367 1.00 0.00 C ATOM 0 H THR A 35 -16.903 35.739 -10.923 1.00 0.00 H new ATOM 0 HA THR A 35 -19.756 35.627 -10.713 1.00 0.00 H new ATOM 0 HB THR A 35 -19.350 34.259 -8.745 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.578 34.716 -9.303 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.141 32.392 -9.801 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.309 33.152 -10.908 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.571 33.495 -11.076 1.00 0.00 H new ATOM 566 N ASP A 36 -20.047 36.689 -8.214 1.00 0.00 N ATOM 567 CA ASP A 36 -20.405 37.680 -7.190 1.00 0.00 C ATOM 568 C ASP A 36 -19.416 37.689 -6.008 1.00 0.00 C ATOM 569 O ASP A 36 -19.393 38.621 -5.202 1.00 0.00 O ATOM 570 CB ASP A 36 -21.853 37.426 -6.745 1.00 0.00 C ATOM 571 CG ASP A 36 -22.394 38.532 -5.819 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.534 39.691 -6.277 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.721 38.234 -4.644 1.00 0.00 O ATOM 0 H ASP A 36 -20.603 35.835 -8.174 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.336 38.679 -7.621 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.491 37.351 -7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.907 36.467 -6.229 1.00 0.00 H new ATOM 578 N ASN A 37 -18.551 36.670 -5.939 1.00 0.00 N ATOM 579 CA ASN A 37 -17.468 36.526 -4.973 1.00 0.00 C ATOM 580 C ASN A 37 -16.114 37.032 -5.547 1.00 0.00 C ATOM 581 O ASN A 37 -15.052 36.788 -4.974 1.00 0.00 O ATOM 582 CB ASN A 37 -17.521 35.054 -4.536 1.00 0.00 C ATOM 583 CG ASN A 37 -16.584 34.693 -3.403 1.00 0.00 C ATOM 584 OD1 ASN A 37 -16.461 35.386 -2.401 1.00 0.00 O ATOM 585 ND2 ASN A 37 -15.942 33.554 -3.502 1.00 0.00 N ATOM 0 H ASN A 37 -18.594 35.887 -6.591 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.578 37.157 -4.091 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.541 34.816 -4.235 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.288 34.426 -5.396 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -15.337 33.242 -2.742 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.048 32.980 -4.339 1.00 0.00 H new ATOM 592 N GLY A 38 -16.151 37.727 -6.696 1.00 0.00 N ATOM 593 CA GLY A 38 -14.993 38.266 -7.430 1.00 0.00 C ATOM 594 C GLY A 38 -14.270 37.264 -8.322 1.00 0.00 C ATOM 595 O GLY A 38 -13.258 37.600 -8.937 1.00 0.00 O ATOM 0 H GLY A 38 -17.033 37.939 -7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.329 39.101 -8.045 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.281 38.668 -6.709 1.00 0.00 H new ATOM 599 N GLU A 39 -14.748 36.026 -8.363 1.00 0.00 N ATOM 600 CA GLU A 39 -14.017 34.904 -8.946 1.00 0.00 C ATOM 601 C GLU A 39 -14.232 34.867 -10.457 1.00 0.00 C ATOM 602 O GLU A 39 -15.365 34.747 -10.919 1.00 0.00 O ATOM 603 CB GLU A 39 -14.392 33.570 -8.280 1.00 0.00 C ATOM 604 CG GLU A 39 -14.648 33.682 -6.776 1.00 0.00 C ATOM 605 CD GLU A 39 -14.228 32.399 -6.035 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.017 32.066 -6.010 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.104 31.744 -5.428 1.00 0.00 O ATOM 0 H GLU A 39 -15.662 35.769 -7.990 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.954 35.053 -8.757 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.285 33.172 -8.762 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.590 32.851 -8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.097 34.532 -6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.706 33.876 -6.599 1.00 0.00 H new ATOM 614 N GLU A 40 -13.155 34.973 -11.227 1.00 0.00 N ATOM 615 CA GLU A 40 -13.217 35.001 -12.694 1.00 0.00 C ATOM 616 C GLU A 40 -12.824 33.657 -13.312 1.00 0.00 C ATOM 617 O GLU A 40 -11.773 33.085 -13.007 1.00 0.00 O ATOM 618 CB GLU A 40 -12.309 36.092 -13.275 1.00 0.00 C ATOM 619 CG GLU A 40 -12.947 37.476 -13.175 1.00 0.00 C ATOM 620 CD GLU A 40 -12.056 38.587 -13.759 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.327 38.345 -14.754 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.100 39.714 -13.209 1.00 0.00 O ATOM 0 H GLU A 40 -12.208 35.043 -10.855 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.255 35.217 -12.946 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.357 36.092 -12.745 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.093 35.866 -14.319 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.902 37.469 -13.700 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.159 37.699 -12.129 1.00 0.00 H new ATOM 629 N PHE A 41 -13.678 33.189 -14.225 1.00 0.00 N ATOM 630 CA PHE A 41 -13.531 31.929 -14.956 1.00 0.00 C ATOM 631 C PHE A 41 -13.703 32.127 -16.465 1.00 0.00 C ATOM 632 O PHE A 41 -14.296 33.107 -16.917 1.00 0.00 O ATOM 633 CB PHE A 41 -14.552 30.921 -14.428 1.00 0.00 C ATOM 634 CG PHE A 41 -14.359 30.558 -12.965 1.00 0.00 C ATOM 635 CD1 PHE A 41 -13.486 29.508 -12.624 1.00 0.00 C ATOM 636 CD2 PHE A 41 -15.009 31.273 -11.939 1.00 0.00 C ATOM 637 CE1 PHE A 41 -13.265 29.164 -11.280 1.00 0.00 C ATOM 638 CE2 PHE A 41 -14.807 30.908 -10.602 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.934 29.861 -10.264 1.00 0.00 C ATOM 0 H PHE A 41 -14.523 33.697 -14.485 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.522 31.550 -14.795 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.554 31.329 -14.562 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.495 30.013 -15.028 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -12.980 28.960 -13.405 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -15.660 32.099 -12.183 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -12.582 28.365 -11.030 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -15.330 31.439 -9.820 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.779 29.595 -9.229 1.00 0.00 H new ATOM 649 N GLU A 42 -13.203 31.176 -17.252 1.00 0.00 N ATOM 650 CA GLU A 42 -13.155 31.250 -18.712 1.00 0.00 C ATOM 651 C GLU A 42 -14.137 30.257 -19.337 1.00 0.00 C ATOM 652 O GLU A 42 -14.175 29.080 -18.967 1.00 0.00 O ATOM 653 CB GLU A 42 -11.732 30.995 -19.246 1.00 0.00 C ATOM 654 CG GLU A 42 -10.632 31.785 -18.518 1.00 0.00 C ATOM 655 CD GLU A 42 -9.992 31.097 -17.295 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.292 29.917 -16.988 1.00 0.00 O ATOM 657 OE2 GLU A 42 -9.179 31.778 -16.624 1.00 0.00 O ATOM 0 H GLU A 42 -12.810 30.310 -16.883 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.446 32.261 -18.996 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.512 29.930 -19.166 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.704 31.248 -20.306 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.843 32.012 -19.235 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.052 32.737 -18.194 1.00 0.00 H new ATOM 664 N VAL A 43 -14.916 30.729 -20.307 1.00 0.00 N ATOM 665 CA VAL A 43 -15.905 29.926 -21.031 1.00 0.00 C ATOM 666 C VAL A 43 -15.555 29.925 -22.526 1.00 0.00 C ATOM 667 O VAL A 43 -15.689 30.959 -23.188 1.00 0.00 O ATOM 668 CB VAL A 43 -17.337 30.428 -20.784 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.354 29.470 -21.412 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.658 30.573 -19.290 1.00 0.00 C ATOM 0 H VAL A 43 -14.879 31.699 -20.620 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.872 28.903 -20.657 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.404 31.413 -21.246 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.363 29.839 -21.229 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.180 29.408 -22.486 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.244 28.480 -20.969 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.681 30.930 -19.171 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.552 29.605 -18.800 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.969 31.286 -18.837 1.00 0.00 H new ATOM 680 N PRO A 44 -15.094 28.787 -23.077 1.00 0.00 N ATOM 681 CA PRO A 44 -14.869 28.632 -24.508 1.00 0.00 C ATOM 682 C PRO A 44 -16.203 28.442 -25.252 1.00 0.00 C ATOM 683 O PRO A 44 -17.003 27.563 -24.918 1.00 0.00 O ATOM 684 CB PRO A 44 -13.948 27.413 -24.640 1.00 0.00 C ATOM 685 CG PRO A 44 -14.280 26.563 -23.414 1.00 0.00 C ATOM 686 CD PRO A 44 -14.678 27.591 -22.355 1.00 0.00 C ATOM 0 HA PRO A 44 -14.412 29.514 -24.957 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.136 26.869 -25.566 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.898 27.705 -24.650 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.092 25.865 -23.619 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.423 25.970 -23.094 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.488 27.212 -21.732 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.841 27.809 -21.692 1.00 0.00 H new ATOM 694 N PHE A 45 -16.419 29.247 -26.291 1.00 0.00 N ATOM 695 CA PHE A 45 -17.570 29.183 -27.205 1.00 0.00 C ATOM 696 C PHE A 45 -17.117 28.840 -28.627 1.00 0.00 C ATOM 697 O PHE A 45 -16.091 29.331 -29.085 1.00 0.00 O ATOM 698 CB PHE A 45 -18.318 30.526 -27.201 1.00 0.00 C ATOM 699 CG PHE A 45 -19.185 30.766 -25.977 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.637 31.385 -24.838 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.549 30.404 -25.982 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.444 31.644 -23.721 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.351 30.650 -24.849 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.794 31.263 -23.713 1.00 0.00 C ATOM 0 H PHE A 45 -15.771 29.996 -26.534 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.241 28.397 -26.859 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.589 31.333 -27.277 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -18.946 30.579 -28.090 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.593 31.661 -24.824 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -20.979 29.937 -26.856 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.023 32.141 -22.860 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.393 30.368 -24.854 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.403 31.440 -22.838 1.00 0.00 H new ATOM 714 N ALA A 46 -17.901 28.064 -29.369 1.00 0.00 N ATOM 715 CA ALA A 46 -17.647 27.767 -30.785 1.00 0.00 C ATOM 716 C ALA A 46 -18.252 28.852 -31.694 1.00 0.00 C ATOM 717 O ALA A 46 -19.162 29.572 -31.284 1.00 0.00 O ATOM 718 CB ALA A 46 -18.200 26.373 -31.102 1.00 0.00 C ATOM 0 H ALA A 46 -18.742 27.616 -29.005 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.574 27.770 -30.978 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.018 26.139 -32.151 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.704 25.633 -30.474 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.272 26.354 -30.907 1.00 0.00 H new ATOM 724 N ASP A 47 -17.783 28.969 -32.937 1.00 0.00 N ATOM 725 CA ASP A 47 -18.275 29.945 -33.930 1.00 0.00 C ATOM 726 C ASP A 47 -19.774 29.773 -34.275 1.00 0.00 C ATOM 727 O ASP A 47 -20.427 30.708 -34.741 1.00 0.00 O ATOM 728 CB ASP A 47 -17.397 29.838 -35.184 1.00 0.00 C ATOM 729 CG ASP A 47 -17.766 30.867 -36.268 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.494 32.076 -36.072 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.284 30.463 -37.337 1.00 0.00 O ATOM 0 H ASP A 47 -17.034 28.378 -33.297 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.200 30.942 -33.495 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.353 29.974 -34.902 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.487 28.834 -35.599 1.00 0.00 H new ATOM 736 N ASP A 48 -20.340 28.591 -34.003 1.00 0.00 N ATOM 737 CA ASP A 48 -21.780 28.303 -34.112 1.00 0.00 C ATOM 738 C ASP A 48 -22.627 28.977 -33.003 1.00 0.00 C ATOM 739 O ASP A 48 -23.853 29.058 -33.114 1.00 0.00 O ATOM 740 CB ASP A 48 -21.954 26.777 -34.094 1.00 0.00 C ATOM 741 CG ASP A 48 -23.390 26.331 -34.424 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.855 26.575 -35.565 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.043 25.693 -33.563 1.00 0.00 O ATOM 0 H ASP A 48 -19.797 27.785 -33.693 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.151 28.726 -35.046 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.267 26.330 -34.812 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.679 26.397 -33.110 1.00 0.00 H new ATOM 748 N ALA A 49 -21.978 29.481 -31.947 1.00 0.00 N ATOM 749 CA ALA A 49 -22.573 30.178 -30.803 1.00 0.00 C ATOM 750 C ALA A 49 -22.106 31.647 -30.699 1.00 0.00 C ATOM 751 O ALA A 49 -21.086 32.038 -31.267 1.00 0.00 O ATOM 752 CB ALA A 49 -22.232 29.387 -29.532 1.00 0.00 C ATOM 0 H ALA A 49 -20.964 29.408 -31.864 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.654 30.224 -30.936 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.665 29.887 -28.665 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.639 28.379 -29.610 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.149 29.333 -29.417 1.00 0.00 H new ATOM 758 N GLU A 50 -22.839 32.461 -29.932 1.00 0.00 N ATOM 759 CA GLU A 50 -22.483 33.851 -29.599 1.00 0.00 C ATOM 760 C GLU A 50 -22.633 34.122 -28.094 1.00 0.00 C ATOM 761 O GLU A 50 -23.597 33.682 -27.468 1.00 0.00 O ATOM 762 CB GLU A 50 -23.338 34.851 -30.397 1.00 0.00 C ATOM 763 CG GLU A 50 -22.895 34.948 -31.859 1.00 0.00 C ATOM 764 CD GLU A 50 -23.803 35.908 -32.651 1.00 0.00 C ATOM 765 OE1 GLU A 50 -23.509 37.128 -32.701 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.817 35.452 -33.237 1.00 0.00 O ATOM 0 H GLU A 50 -23.721 32.166 -29.513 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.437 33.988 -29.873 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.384 34.548 -30.355 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.273 35.835 -29.933 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.863 35.296 -31.907 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.920 33.959 -32.316 1.00 0.00 H new ATOM 773 N ILE A 51 -21.673 34.870 -27.544 1.00 0.00 N ATOM 774 CA ILE A 51 -21.486 35.212 -26.128 1.00 0.00 C ATOM 775 C ILE A 51 -22.703 35.958 -25.551 1.00 0.00 C ATOM 776 O ILE A 51 -22.949 37.116 -25.908 1.00 0.00 O ATOM 777 CB ILE A 51 -20.214 36.067 -25.906 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.987 35.635 -26.744 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.843 36.089 -24.414 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.445 34.232 -26.466 1.00 0.00 C ATOM 0 H ILE A 51 -20.945 35.287 -28.124 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.372 34.264 -25.602 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.474 37.066 -26.255 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.252 35.698 -27.799 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.185 36.353 -26.574 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.947 36.693 -24.271 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.665 36.518 -23.841 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.653 35.072 -24.071 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.587 34.039 -27.110 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.138 34.161 -25.422 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.223 33.495 -26.667 1.00 0.00 H new ATOM 792 N PRO A 52 -23.472 35.321 -24.658 1.00 0.00 N ATOM 793 CA PRO A 52 -24.492 35.986 -23.861 1.00 0.00 C ATOM 794 C PRO A 52 -23.852 36.867 -22.772 1.00 0.00 C ATOM 795 O PRO A 52 -22.772 36.563 -22.259 1.00 0.00 O ATOM 796 CB PRO A 52 -25.329 34.849 -23.281 1.00 0.00 C ATOM 797 CG PRO A 52 -24.333 33.699 -23.145 1.00 0.00 C ATOM 798 CD PRO A 52 -23.324 33.933 -24.262 1.00 0.00 C ATOM 0 HA PRO A 52 -25.108 36.669 -24.446 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.761 35.121 -22.318 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.157 34.586 -23.939 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.851 33.705 -22.167 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.826 32.733 -23.251 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.309 33.733 -23.918 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.513 33.266 -25.103 1.00 0.00 H new ATOM 806 N GLY A 53 -24.538 37.953 -22.401 1.00 0.00 N ATOM 807 CA GLY A 53 -24.113 38.933 -21.385 1.00 0.00 C ATOM 808 C GLY A 53 -23.666 38.342 -20.039 1.00 0.00 C ATOM 809 O GLY A 53 -22.800 38.914 -19.371 1.00 0.00 O ATOM 0 H GLY A 53 -25.441 38.186 -22.814 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.291 39.521 -21.794 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.938 39.622 -21.203 1.00 0.00 H new ATOM 813 N THR A 54 -24.219 37.194 -19.638 1.00 0.00 N ATOM 814 CA THR A 54 -23.767 36.428 -18.469 1.00 0.00 C ATOM 815 C THR A 54 -23.774 34.909 -18.725 1.00 0.00 C ATOM 816 O THR A 54 -24.445 34.427 -19.643 1.00 0.00 O ATOM 817 CB THR A 54 -24.669 36.692 -17.242 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.007 36.318 -17.507 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.764 38.161 -16.836 1.00 0.00 C ATOM 0 H THR A 54 -25.006 36.762 -20.123 1.00 0.00 H new ATOM 0 HA THR A 54 -22.747 36.762 -18.278 1.00 0.00 H new ATOM 0 HB THR A 54 -24.199 36.109 -16.450 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.463 36.114 -16.664 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.416 38.257 -15.968 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.771 38.535 -16.587 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.173 38.741 -17.663 1.00 0.00 H new ATOM 827 N TRP A 55 -23.026 34.142 -17.919 1.00 0.00 N ATOM 828 CA TRP A 55 -22.885 32.681 -18.031 1.00 0.00 C ATOM 829 C TRP A 55 -22.446 32.031 -16.705 1.00 0.00 C ATOM 830 O TRP A 55 -21.714 32.634 -15.917 1.00 0.00 O ATOM 831 CB TRP A 55 -21.879 32.349 -19.139 1.00 0.00 C ATOM 832 CG TRP A 55 -21.860 30.915 -19.579 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.052 29.958 -19.082 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.659 30.250 -20.606 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.251 28.771 -19.752 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.241 28.888 -20.702 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.684 30.665 -21.478 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.804 27.991 -21.622 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.264 29.775 -22.403 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.824 28.440 -22.478 1.00 0.00 C ATOM 0 H TRP A 55 -22.485 34.532 -17.147 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.864 32.271 -18.279 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.097 32.975 -20.005 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.881 32.619 -18.794 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.349 30.101 -18.274 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.731 27.913 -19.568 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.032 31.686 -21.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.458 26.969 -21.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.051 30.119 -23.058 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.269 27.763 -23.192 1.00 0.00 H new ATOM 851 N LEU A 56 -22.876 30.794 -16.433 1.00 0.00 N ATOM 852 CA LEU A 56 -22.557 30.069 -15.196 1.00 0.00 C ATOM 853 C LEU A 56 -21.063 29.700 -15.120 1.00 0.00 C ATOM 854 O LEU A 56 -20.516 29.061 -16.022 1.00 0.00 O ATOM 855 CB LEU A 56 -23.466 28.829 -15.080 1.00 0.00 C ATOM 856 CG LEU A 56 -24.128 28.656 -13.701 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.158 27.527 -13.756 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.115 28.308 -12.614 1.00 0.00 C ATOM 0 H LEU A 56 -23.463 30.260 -17.074 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.750 30.722 -14.345 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.246 28.892 -15.839 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.877 27.939 -15.302 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.597 29.609 -13.456 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.622 27.410 -12.777 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.923 27.768 -14.494 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.664 26.597 -14.036 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.629 28.196 -11.660 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.615 27.374 -12.868 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.376 29.106 -12.536 1.00 0.00 H new ATOM 870 N CYS A 57 -20.405 30.089 -14.029 1.00 0.00 N ATOM 871 CA CYS A 57 -18.981 29.857 -13.783 1.00 0.00 C ATOM 872 C CYS A 57 -18.710 28.587 -12.965 1.00 0.00 C ATOM 873 O CYS A 57 -19.597 28.051 -12.296 1.00 0.00 O ATOM 874 CB CYS A 57 -18.409 31.084 -13.074 1.00 0.00 C ATOM 875 SG CYS A 57 -18.276 32.443 -14.253 1.00 0.00 S ATOM 0 H CYS A 57 -20.862 30.590 -13.267 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.491 29.702 -14.744 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -19.052 31.370 -12.242 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.430 30.853 -12.655 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.195 33.123 -14.011 1.00 0.00 H new ATOM 881 N ARG A 58 -17.444 28.143 -12.951 1.00 0.00 N ATOM 882 CA ARG A 58 -17.015 26.892 -12.295 1.00 0.00 C ATOM 883 C ARG A 58 -17.149 26.917 -10.762 1.00 0.00 C ATOM 884 O ARG A 58 -17.234 25.857 -10.143 1.00 0.00 O ATOM 885 CB ARG A 58 -15.572 26.516 -12.696 1.00 0.00 C ATOM 886 CG ARG A 58 -15.260 26.641 -14.198 1.00 0.00 C ATOM 887 CD ARG A 58 -13.815 26.230 -14.512 1.00 0.00 C ATOM 888 NE ARG A 58 -13.409 26.734 -15.841 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.352 27.470 -16.137 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.394 27.753 -15.304 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.219 28.003 -17.307 1.00 0.00 N ATOM 0 H ARG A 58 -16.678 28.646 -13.399 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.702 26.127 -12.655 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.880 27.151 -12.143 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.380 25.489 -12.385 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.948 26.015 -14.766 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.424 27.669 -14.520 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.145 26.623 -13.747 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.726 25.144 -14.486 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.016 26.484 -16.622 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.428 27.399 -14.348 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.608 28.329 -15.607 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.936 27.858 -18.018 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.397 28.568 -17.519 1.00 0.00 H new ATOM 905 N ASN A 59 -17.223 28.109 -10.154 1.00 0.00 N ATOM 906 CA ASN A 59 -17.523 28.277 -8.722 1.00 0.00 C ATOM 907 C ASN A 59 -18.987 27.901 -8.363 1.00 0.00 C ATOM 908 O ASN A 59 -19.318 27.636 -7.206 1.00 0.00 O ATOM 909 CB ASN A 59 -17.207 29.739 -8.355 1.00 0.00 C ATOM 910 CG ASN A 59 -17.478 30.142 -6.910 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.393 29.360 -5.974 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.779 31.402 -6.682 1.00 0.00 N ATOM 0 H ASN A 59 -17.076 28.991 -10.644 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.906 27.591 -8.141 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.156 29.928 -8.572 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.789 30.390 -9.007 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.940 31.723 -5.727 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.851 32.058 -7.460 1.00 0.00 H new ATOM 919 N GLY A 60 -19.867 27.825 -9.366 1.00 0.00 N ATOM 920 CA GLY A 60 -21.297 27.512 -9.229 1.00 0.00 C ATOM 921 C GLY A 60 -22.199 28.749 -9.113 1.00 0.00 C ATOM 922 O GLY A 60 -23.368 28.624 -8.743 1.00 0.00 O ATOM 0 H GLY A 60 -19.594 27.986 -10.335 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.614 26.924 -10.090 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.439 26.888 -8.347 1.00 0.00 H new ATOM 926 N MET A 61 -21.665 29.935 -9.429 1.00 0.00 N ATOM 927 CA MET A 61 -22.379 31.215 -9.473 1.00 0.00 C ATOM 928 C MET A 61 -22.513 31.716 -10.916 1.00 0.00 C ATOM 929 O MET A 61 -21.634 31.483 -11.748 1.00 0.00 O ATOM 930 CB MET A 61 -21.655 32.222 -8.562 1.00 0.00 C ATOM 931 CG MET A 61 -22.440 33.523 -8.335 1.00 0.00 C ATOM 932 SD MET A 61 -24.142 33.315 -7.734 1.00 0.00 S ATOM 933 CE MET A 61 -24.692 35.043 -7.750 1.00 0.00 C ATOM 0 H MET A 61 -20.679 30.032 -9.672 1.00 0.00 H new ATOM 0 HA MET A 61 -23.395 31.089 -9.100 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.461 31.752 -7.598 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.686 32.464 -9.000 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.893 34.137 -7.619 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.470 34.077 -9.273 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.725 35.099 -7.407 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.057 35.633 -7.089 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.625 35.437 -8.764 1.00 0.00 H new ATOM 943 N GLU A 62 -23.595 32.434 -11.224 1.00 0.00 N ATOM 944 CA GLU A 62 -23.747 33.119 -12.512 1.00 0.00 C ATOM 945 C GLU A 62 -22.729 34.266 -12.616 1.00 0.00 C ATOM 946 O GLU A 62 -22.815 35.269 -11.902 1.00 0.00 O ATOM 947 CB GLU A 62 -25.194 33.589 -12.724 1.00 0.00 C ATOM 948 CG GLU A 62 -25.408 34.065 -14.170 1.00 0.00 C ATOM 949 CD GLU A 62 -26.856 34.535 -14.416 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.795 33.707 -14.318 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.062 35.732 -14.734 1.00 0.00 O ATOM 0 H GLU A 62 -24.387 32.557 -10.593 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.536 32.417 -13.319 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.882 32.774 -12.499 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.423 34.400 -12.032 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.720 34.882 -14.388 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.168 33.254 -14.858 1.00 0.00 H new ATOM 958 N GLY A 63 -21.740 34.093 -13.490 1.00 0.00 N ATOM 959 CA GLY A 63 -20.724 35.090 -13.797 1.00 0.00 C ATOM 960 C GLY A 63 -21.204 36.108 -14.831 1.00 0.00 C ATOM 961 O GLY A 63 -21.970 35.766 -15.732 1.00 0.00 O ATOM 0 H GLY A 63 -21.622 33.229 -14.018 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.441 35.611 -12.882 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.829 34.591 -14.170 1.00 0.00 H new ATOM 965 N THR A 64 -20.708 37.344 -14.758 1.00 0.00 N ATOM 966 CA THR A 64 -20.984 38.389 -15.761 1.00 0.00 C ATOM 967 C THR A 64 -19.778 38.651 -16.654 1.00 0.00 C ATOM 968 O THR A 64 -18.645 38.703 -16.177 1.00 0.00 O ATOM 969 CB THR A 64 -21.448 39.699 -15.107 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.579 39.466 -14.292 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.849 40.769 -16.129 1.00 0.00 C ATOM 0 H THR A 64 -20.100 37.656 -14.000 1.00 0.00 H new ATOM 0 HA THR A 64 -21.795 38.010 -16.384 1.00 0.00 H new ATOM 0 HB THR A 64 -20.596 40.057 -14.529 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.864 40.308 -13.880 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.167 41.671 -15.606 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.996 41.001 -16.766 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.669 40.397 -16.743 1.00 0.00 H new ATOM 979 N LEU A 65 -20.031 38.815 -17.954 1.00 0.00 N ATOM 980 CA LEU A 65 -19.027 38.979 -19.002 1.00 0.00 C ATOM 981 C LEU A 65 -18.036 40.139 -18.780 1.00 0.00 C ATOM 982 O LEU A 65 -18.426 41.304 -18.668 1.00 0.00 O ATOM 983 CB LEU A 65 -19.794 39.121 -20.330 1.00 0.00 C ATOM 984 CG LEU A 65 -18.934 39.076 -21.602 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.295 37.726 -21.837 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.796 39.430 -22.815 1.00 0.00 C ATOM 0 H LEU A 65 -20.983 38.838 -18.319 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.378 38.103 -19.001 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.536 38.325 -20.387 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.339 40.065 -20.315 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.131 39.800 -21.464 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.701 37.759 -22.750 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.651 37.477 -20.994 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.072 36.968 -21.937 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.185 39.398 -23.717 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.612 38.713 -22.903 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.206 40.432 -22.690 1.00 0.00 H new ATOM 998 N ILE A 66 -16.745 39.799 -18.799 1.00 0.00 N ATOM 999 CA ILE A 66 -15.581 40.693 -18.877 1.00 0.00 C ATOM 1000 C ILE A 66 -14.631 40.215 -19.992 1.00 0.00 C ATOM 1001 O ILE A 66 -14.666 39.050 -20.392 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.848 40.859 -17.522 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.125 39.589 -17.019 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.770 41.451 -16.438 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -15.021 38.498 -16.463 1.00 0.00 C ATOM 0 H ILE A 66 -16.462 38.820 -18.757 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.946 41.689 -19.127 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.053 41.577 -17.725 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.545 39.173 -17.843 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.415 39.880 -16.245 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.217 41.551 -15.504 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.123 42.432 -16.757 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.623 40.790 -16.285 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.410 37.655 -16.140 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.582 38.886 -15.613 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.715 38.168 -17.236 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.808 41.110 -20.541 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.955 40.812 -21.703 1.00 0.00 C ATOM 1019 C GLU A 67 -11.956 39.661 -21.445 1.00 0.00 C ATOM 1020 O GLU A 67 -11.011 39.790 -20.663 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.219 42.079 -22.178 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.187 43.185 -22.623 1.00 0.00 C ATOM 1023 CD GLU A 67 -12.452 44.355 -23.304 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -11.636 45.044 -22.644 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -12.719 44.611 -24.503 1.00 0.00 O ATOM 0 H GLU A 67 -13.711 42.065 -20.195 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.621 40.469 -22.495 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.589 42.454 -21.371 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.558 41.823 -23.006 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.922 42.768 -23.312 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.736 43.556 -21.758 1.00 0.00 H new ATOM 1032 N GLY A 68 -12.156 38.539 -22.147 1.00 0.00 N ATOM 1033 CA GLY A 68 -11.259 37.375 -22.194 1.00 0.00 C ATOM 1034 C GLY A 68 -9.984 37.639 -23.005 1.00 0.00 C ATOM 1035 O GLY A 68 -9.766 37.041 -24.059 1.00 0.00 O ATOM 0 H GLY A 68 -12.986 38.411 -22.725 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.985 37.092 -21.178 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.792 36.529 -22.628 1.00 0.00 H new ATOM 1039 N ASP A 69 -9.145 38.555 -22.523 1.00 0.00 N ATOM 1040 CA ASP A 69 -7.920 39.016 -23.181 1.00 0.00 C ATOM 1041 C ASP A 69 -6.766 38.016 -22.968 1.00 0.00 C ATOM 1042 O ASP A 69 -6.049 38.051 -21.963 1.00 0.00 O ATOM 1043 CB ASP A 69 -7.592 40.429 -22.670 1.00 0.00 C ATOM 1044 CG ASP A 69 -6.350 41.026 -23.354 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -6.282 41.010 -24.607 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -5.456 41.550 -22.647 1.00 0.00 O ATOM 0 H ASP A 69 -9.305 39.016 -21.627 1.00 0.00 H new ATOM 0 HA ASP A 69 -8.067 39.068 -24.260 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.447 41.082 -22.842 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.429 40.394 -21.593 1.00 0.00 H new ATOM 1051 N LEU A 70 -6.628 37.087 -23.917 1.00 0.00 N ATOM 1052 CA LEU A 70 -5.628 36.008 -23.914 1.00 0.00 C ATOM 1053 C LEU A 70 -4.167 36.527 -24.021 1.00 0.00 C ATOM 1054 O LEU A 70 -3.964 37.660 -24.470 1.00 0.00 O ATOM 1055 CB LEU A 70 -5.939 35.019 -25.057 1.00 0.00 C ATOM 1056 CG LEU A 70 -7.272 34.257 -24.950 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -7.540 33.518 -26.263 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -7.258 33.239 -23.809 1.00 0.00 C ATOM 0 H LEU A 70 -7.230 37.062 -24.740 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.698 35.502 -22.951 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.933 35.569 -25.998 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.130 34.290 -25.109 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.055 34.988 -24.747 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.484 32.977 -26.190 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.596 34.237 -27.080 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.732 32.813 -26.455 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.218 32.724 -23.769 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.463 32.513 -23.979 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.083 33.754 -22.864 1.00 0.00 H new ATOM 1070 N PRO A 71 -3.135 35.721 -23.661 1.00 0.00 N ATOM 1071 CA PRO A 71 -1.765 36.196 -23.445 1.00 0.00 C ATOM 1072 C PRO A 71 -0.706 35.578 -24.400 1.00 0.00 C ATOM 1073 O PRO A 71 -0.002 34.637 -24.032 1.00 0.00 O ATOM 1074 CB PRO A 71 -1.522 35.836 -21.975 1.00 0.00 C ATOM 1075 CG PRO A 71 -2.230 34.485 -21.815 1.00 0.00 C ATOM 1076 CD PRO A 71 -3.245 34.439 -22.964 1.00 0.00 C ATOM 0 HA PRO A 71 -1.660 37.259 -23.664 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.458 35.760 -21.751 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.936 36.588 -21.304 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.523 33.658 -21.878 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.724 34.409 -20.847 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.031 33.610 -23.639 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.256 34.288 -22.584 1.00 0.00 H new ATOM 1084 N GLU A 72 -0.522 36.010 -25.653 1.00 0.00 N ATOM 1085 CA GLU A 72 -1.142 37.128 -26.381 1.00 0.00 C ATOM 1086 C GLU A 72 -1.474 36.744 -27.855 1.00 0.00 C ATOM 1087 O GLU A 72 -0.955 37.366 -28.790 1.00 0.00 O ATOM 1088 CB GLU A 72 -0.192 38.349 -26.342 1.00 0.00 C ATOM 1089 CG GLU A 72 0.202 38.813 -24.937 1.00 0.00 C ATOM 1090 CD GLU A 72 1.016 40.120 -24.993 1.00 0.00 C ATOM 1091 OE1 GLU A 72 2.266 40.061 -25.101 1.00 0.00 O ATOM 1092 OE2 GLU A 72 0.416 41.222 -24.921 1.00 0.00 O ATOM 0 H GLU A 72 0.145 35.527 -26.254 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.085 37.377 -25.893 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.714 38.104 -26.896 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.669 39.179 -26.863 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.695 38.965 -24.336 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.788 38.037 -24.445 1.00 0.00 H new ATOM 1099 N PRO A 73 -2.316 35.720 -28.113 1.00 0.00 N ATOM 1100 CA PRO A 73 -2.721 35.339 -29.469 1.00 0.00 C ATOM 1101 C PRO A 73 -3.647 36.391 -30.107 1.00 0.00 C ATOM 1102 O PRO A 73 -4.430 37.053 -29.419 1.00 0.00 O ATOM 1103 CB PRO A 73 -3.403 33.973 -29.322 1.00 0.00 C ATOM 1104 CG PRO A 73 -4.013 34.049 -27.924 1.00 0.00 C ATOM 1105 CD PRO A 73 -2.980 34.863 -27.143 1.00 0.00 C ATOM 0 HA PRO A 73 -1.866 35.281 -30.143 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.163 33.816 -30.087 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.690 33.153 -29.408 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.988 34.537 -27.935 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.157 33.059 -27.492 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.460 35.456 -26.365 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.263 34.208 -26.648 1.00 0.00 H new ATOM 1113 N LYS A 74 -3.572 36.529 -31.438 1.00 0.00 N ATOM 1114 CA LYS A 74 -4.323 37.521 -32.233 1.00 0.00 C ATOM 1115 C LYS A 74 -4.714 36.967 -33.612 1.00 0.00 C ATOM 1116 O LYS A 74 -3.935 36.243 -34.235 1.00 0.00 O ATOM 1117 CB LYS A 74 -3.469 38.801 -32.342 1.00 0.00 C ATOM 1118 CG LYS A 74 -4.202 39.971 -33.021 1.00 0.00 C ATOM 1119 CD LYS A 74 -3.414 41.287 -32.951 1.00 0.00 C ATOM 1120 CE LYS A 74 -2.162 41.254 -33.841 1.00 0.00 C ATOM 1121 NZ LYS A 74 -1.429 42.547 -33.798 1.00 0.00 N ATOM 0 H LYS A 74 -2.970 35.938 -32.012 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.263 37.757 -31.733 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.159 39.108 -31.343 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.562 38.576 -32.903 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.389 39.720 -34.065 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.174 40.109 -32.547 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.057 42.112 -33.259 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.121 41.480 -31.919 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.503 40.450 -33.514 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.450 41.032 -34.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.590 42.491 -34.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.051 43.310 -34.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.133 42.746 -32.821 1.00 0.00 H new ATOM 1135 N LYS A 75 -5.914 37.322 -34.088 1.00 0.00 N ATOM 1136 CA LYS A 75 -6.445 37.008 -35.431 1.00 0.00 C ATOM 1137 C LYS A 75 -6.365 38.234 -36.350 1.00 0.00 C ATOM 1138 O LYS A 75 -6.428 39.374 -35.886 1.00 0.00 O ATOM 1139 CB LYS A 75 -7.890 36.470 -35.323 1.00 0.00 C ATOM 1140 CG LYS A 75 -7.979 34.952 -35.080 1.00 0.00 C ATOM 1141 CD LYS A 75 -7.519 34.501 -33.687 1.00 0.00 C ATOM 1142 CE LYS A 75 -7.715 32.988 -33.544 1.00 0.00 C ATOM 1143 NZ LYS A 75 -7.099 32.466 -32.298 1.00 0.00 N ATOM 0 H LYS A 75 -6.575 37.860 -33.527 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.829 36.227 -35.878 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.399 36.988 -34.510 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.426 36.712 -36.241 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.011 34.633 -35.229 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.376 34.441 -35.831 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.470 34.757 -33.539 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.087 35.025 -32.918 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.780 32.758 -33.546 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.278 32.482 -34.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.717 31.514 -32.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.329 33.099 -32.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.818 32.419 -31.548 1.00 0.00 H new ATOM 1157 N VAL A 76 -6.252 38.006 -37.662 1.00 0.00 N ATOM 1158 CA VAL A 76 -6.070 39.060 -38.684 1.00 0.00 C ATOM 1159 C VAL A 76 -7.428 39.655 -39.098 1.00 0.00 C ATOM 1160 O VAL A 76 -7.907 39.462 -40.218 1.00 0.00 O ATOM 1161 CB VAL A 76 -5.230 38.557 -39.883 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -4.767 39.724 -40.768 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -3.958 37.820 -39.431 1.00 0.00 C ATOM 0 H VAL A 76 -6.284 37.067 -38.059 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.492 39.873 -38.244 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.884 37.881 -40.433 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.180 39.338 -41.601 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.637 40.256 -41.153 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.155 40.407 -40.179 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.401 37.486 -40.306 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.337 38.494 -38.841 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.233 36.957 -38.825 1.00 0.00 H new ATOM 1173 N LYS A 77 -8.080 40.349 -38.155 1.00 0.00 N ATOM 1174 CA LYS A 77 -9.381 41.023 -38.324 1.00 0.00 C ATOM 1175 C LYS A 77 -9.385 42.419 -37.667 1.00 0.00 C ATOM 1176 O LYS A 77 -8.747 42.585 -36.621 1.00 0.00 O ATOM 1177 CB LYS A 77 -10.515 40.160 -37.732 1.00 0.00 C ATOM 1178 CG LYS A 77 -10.722 38.834 -38.481 1.00 0.00 C ATOM 1179 CD LYS A 77 -11.941 38.077 -37.936 1.00 0.00 C ATOM 1180 CE LYS A 77 -12.137 36.768 -38.711 1.00 0.00 C ATOM 1181 NZ LYS A 77 -13.335 36.025 -38.237 1.00 0.00 N ATOM 0 H LYS A 77 -7.703 40.463 -37.214 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.548 41.152 -39.393 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.293 39.948 -36.686 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.444 40.730 -37.752 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.858 39.031 -39.545 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.831 38.214 -38.383 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.803 37.864 -36.876 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.833 38.697 -38.023 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.240 36.986 -39.774 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.252 36.142 -38.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.437 35.146 -38.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -13.225 35.796 -37.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.183 36.613 -38.368 1.00 0.00 H new ATOM 1195 N PRO A 78 -10.097 43.415 -38.229 1.00 0.00 N ATOM 1196 CA PRO A 78 -10.214 44.751 -37.640 1.00 0.00 C ATOM 1197 C PRO A 78 -11.141 44.770 -36.402 1.00 0.00 C ATOM 1198 O PRO A 78 -12.018 43.905 -36.276 1.00 0.00 O ATOM 1199 CB PRO A 78 -10.759 45.635 -38.769 1.00 0.00 C ATOM 1200 CG PRO A 78 -11.619 44.666 -39.580 1.00 0.00 C ATOM 1201 CD PRO A 78 -10.841 43.353 -39.482 1.00 0.00 C ATOM 0 HA PRO A 78 -9.253 45.107 -37.269 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.346 46.468 -38.382 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.956 46.062 -39.370 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.623 44.573 -39.165 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -11.731 44.993 -40.614 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.517 42.498 -39.492 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -10.166 43.236 -40.330 1.00 0.00 H new ATOM 1209 N PRO A 79 -10.996 45.757 -35.494 1.00 0.00 N ATOM 1210 CA PRO A 79 -11.907 45.952 -34.362 1.00 0.00 C ATOM 1211 C PRO A 79 -13.298 46.452 -34.819 1.00 0.00 C ATOM 1212 O PRO A 79 -13.418 47.090 -35.870 1.00 0.00 O ATOM 1213 CB PRO A 79 -11.198 46.964 -33.455 1.00 0.00 C ATOM 1214 CG PRO A 79 -10.385 47.806 -34.438 1.00 0.00 C ATOM 1215 CD PRO A 79 -9.967 46.790 -35.499 1.00 0.00 C ATOM 0 HA PRO A 79 -12.110 45.017 -33.839 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.910 47.572 -32.897 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -10.559 46.470 -32.723 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.980 48.614 -34.865 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -9.521 48.266 -33.957 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.890 47.259 -36.480 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -8.989 46.367 -35.270 1.00 0.00 H new ATOM 1223 N ARG A 80 -14.388 46.223 -34.076 1.00 0.00 N ATOM 1224 CA ARG A 80 -14.536 45.490 -32.800 1.00 0.00 C ATOM 1225 C ARG A 80 -15.721 44.516 -32.875 1.00 0.00 C ATOM 1226 O ARG A 80 -15.516 43.316 -32.590 1.00 0.00 O ATOM 1227 CB ARG A 80 -14.689 46.506 -31.649 1.00 0.00 C ATOM 1228 CG ARG A 80 -14.870 45.839 -30.275 1.00 0.00 C ATOM 1229 CD ARG A 80 -14.961 46.893 -29.163 1.00 0.00 C ATOM 1230 NE ARG A 80 -15.360 46.293 -27.874 1.00 0.00 N ATOM 1231 CZ ARG A 80 -14.573 45.806 -26.934 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -13.277 45.786 -27.009 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -15.065 45.301 -25.846 1.00 0.00 N ATOM 1234 OXT ARG A 80 -16.840 44.951 -33.236 1.00 0.00 O ATOM 0 H ARG A 80 -15.291 46.585 -34.384 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.646 44.890 -32.609 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.809 47.149 -31.621 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.547 47.148 -31.850 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.773 45.229 -30.278 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.033 45.168 -30.079 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -13.996 47.388 -29.051 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.682 47.660 -29.446 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.362 46.250 -27.689 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -12.808 46.163 -27.833 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -12.728 45.394 -26.244 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.075 45.276 -25.707 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.442 44.929 -25.129 1.00 0.00 H new TER 1248 ARG A 80