USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 857 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 37 TYR OH : rot 30:sc= 0.396 USER MOD Set 1.2: A 40 GLN : amide:sc= 0.544 X(o=0.94,f=1) USER MOD Set 2.1: A 21 GLN : amide:sc= 0.421 K(o=0.45,f=-0.57) USER MOD Set 2.2: A 32 GLN : amide:sc= 0.405 K(o=0.45,f=-0.57) USER MOD Set 2.3: A 34 MET CE :methyl 142:sc= -0.378 (180deg=-1.83!) USER MOD Set 2.4: A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -150:sc=-0.00787 (180deg=-0.119) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -144:sc= -1.32 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.069 X(o=-0.069,f=-0.16) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 1.38 (180deg=1.38) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 43:sc= 0.234 USER MOD Single : A 18 TYR OH : rot 113:sc= 0.00621 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -116:sc= 1.05 (180deg=-0.0736) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -153:sc= -0.1 (180deg=-1.19) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 10:sc= -0.0116 USER MOD Single : A 51 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.42) USER MOD Single : A 53 HIS : no HD1:sc= 0.88 K(o=0.88,f=-2.7!) USER MOD Single : A 56 SER OG : rot 74:sc= 1.14 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0.0345 K(o=0.034,f=-4.2!) USER MOD Single : A 71 LYS NZ :NH3+ -142:sc= -0.665 (180deg=-2.68!) USER MOD Single : A 72 THR OG1 : rot 81:sc= 0.947 USER MOD Single : A 75 THR OG1 : rot 93:sc= 1.24 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= -0.25 (180deg=-0.72) USER MOD Single : A 85 LYS NZ :NH3+ 168:sc= 0.638 (180deg=0.531) USER MOD Single : A 98 SER OG : rot -78:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.276 -0.207 0.429 1.00 33.50 N ATOM 2 CA MET A 1 -11.199 -0.301 -0.581 1.00 74.40 C ATOM 3 C MET A 1 -11.052 -1.754 -1.059 1.00 53.34 C ATOM 4 O MET A 1 -10.772 -2.652 -0.252 1.00 40.54 O ATOM 5 CB MET A 1 -9.848 0.211 0.007 1.00 4.30 C ATOM 6 CG MET A 1 -8.674 0.199 -0.990 1.00 41.11 C ATOM 7 SD MET A 1 -7.083 0.618 -0.241 1.00 5.30 S ATOM 8 CE MET A 1 -7.348 2.288 0.349 1.00 4.22 C ATOM 0 H1 MET A 1 -12.369 0.779 0.747 1.00 33.50 H new ATOM 0 H2 MET A 1 -13.174 -0.521 0.009 1.00 33.50 H new ATOM 0 H3 MET A 1 -12.043 -0.812 1.242 1.00 33.50 H new ATOM 0 HA MET A 1 -11.464 0.328 -1.431 1.00 74.40 H new ATOM 0 HB2 MET A 1 -9.987 1.228 0.373 1.00 4.30 H new ATOM 0 HB3 MET A 1 -9.584 -0.404 0.867 1.00 4.30 H new ATOM 0 HG2 MET A 1 -8.603 -0.790 -1.443 1.00 41.11 H new ATOM 0 HG3 MET A 1 -8.884 0.904 -1.794 1.00 41.11 H new ATOM 0 HE1 MET A 1 -6.405 2.835 0.330 1.00 4.22 H new ATOM 0 HE2 MET A 1 -8.072 2.790 -0.293 1.00 4.22 H new ATOM 0 HE3 MET A 1 -7.728 2.257 1.370 1.00 4.22 H new ATOM 20 N THR A 2 -11.263 -1.981 -2.370 1.00 71.11 N ATOM 21 CA THR A 2 -10.927 -3.255 -3.029 1.00 54.54 C ATOM 22 C THR A 2 -9.460 -3.208 -3.492 1.00 11.40 C ATOM 23 O THR A 2 -8.812 -2.156 -3.394 1.00 75.24 O ATOM 24 CB THR A 2 -11.858 -3.519 -4.262 1.00 40.22 C ATOM 25 OG1 THR A 2 -11.668 -2.493 -5.246 1.00 15.23 O ATOM 26 CG2 THR A 2 -13.342 -3.568 -3.874 1.00 5.23 C ATOM 0 H THR A 2 -11.670 -1.288 -2.999 1.00 71.11 H new ATOM 0 HA THR A 2 -11.073 -4.066 -2.315 1.00 54.54 H new ATOM 0 HB THR A 2 -11.583 -4.493 -4.666 1.00 40.22 H new ATOM 0 HG1 THR A 2 -12.524 -2.292 -5.679 1.00 15.23 H new ATOM 0 HG21 THR A 2 -13.945 -3.753 -4.763 1.00 5.23 H new ATOM 0 HG22 THR A 2 -13.503 -4.369 -3.153 1.00 5.23 H new ATOM 0 HG23 THR A 2 -13.634 -2.616 -3.430 1.00 5.23 H new ATOM 34 N GLY A 3 -8.941 -4.341 -3.997 1.00 1.23 N ATOM 35 CA GLY A 3 -7.629 -4.362 -4.658 1.00 14.34 C ATOM 36 C GLY A 3 -7.597 -3.516 -5.924 1.00 64.04 C ATOM 37 O GLY A 3 -6.537 -3.016 -6.324 1.00 44.43 O ATOM 0 H GLY A 3 -9.408 -5.247 -3.959 1.00 1.23 H new ATOM 0 HA2 GLY A 3 -6.871 -3.999 -3.964 1.00 14.34 H new ATOM 0 HA3 GLY A 3 -7.368 -5.391 -4.906 1.00 14.34 H new ATOM 41 N GLN A 4 -8.779 -3.377 -6.554 1.00 23.13 N ATOM 42 CA GLN A 4 -8.995 -2.461 -7.679 1.00 61.02 C ATOM 43 C GLN A 4 -8.800 -1.008 -7.214 1.00 75.43 C ATOM 44 O GLN A 4 -7.993 -0.291 -7.789 1.00 73.11 O ATOM 45 CB GLN A 4 -10.411 -2.680 -8.280 1.00 43.21 C ATOM 46 CG GLN A 4 -10.767 -1.757 -9.457 1.00 43.42 C ATOM 47 CD GLN A 4 -12.114 -2.097 -10.099 1.00 22.51 C ATOM 48 OE1 GLN A 4 -13.157 -1.582 -9.694 1.00 20.11 O ATOM 49 NE2 GLN A 4 -12.104 -2.968 -11.098 1.00 45.43 N ATOM 0 H GLN A 4 -9.613 -3.902 -6.291 1.00 23.13 H new ATOM 0 HA GLN A 4 -8.264 -2.667 -8.461 1.00 61.02 H new ATOM 0 HB2 GLN A 4 -10.492 -3.715 -8.612 1.00 43.21 H new ATOM 0 HB3 GLN A 4 -11.150 -2.539 -7.491 1.00 43.21 H new ATOM 0 HG2 GLN A 4 -10.788 -0.725 -9.108 1.00 43.42 H new ATOM 0 HG3 GLN A 4 -9.984 -1.823 -10.212 1.00 43.42 H new ATOM 0 HE21 GLN A 4 -11.223 -3.377 -11.410 1.00 45.43 H new ATOM 0 HE22 GLN A 4 -12.977 -3.230 -11.555 1.00 45.43 H new ATOM 58 N GLU A 5 -9.492 -0.623 -6.117 1.00 42.35 N ATOM 59 CA GLU A 5 -9.469 0.757 -5.575 1.00 62.14 C ATOM 60 C GLU A 5 -8.075 1.150 -5.058 1.00 44.30 C ATOM 61 O GLU A 5 -7.675 2.320 -5.151 1.00 12.13 O ATOM 62 CB GLU A 5 -10.524 0.916 -4.450 1.00 42.10 C ATOM 63 CG GLU A 5 -11.983 0.698 -4.904 1.00 5.41 C ATOM 64 CD GLU A 5 -12.442 1.690 -5.989 1.00 62.32 C ATOM 65 OE1 GLU A 5 -12.268 1.403 -7.195 1.00 22.32 O ATOM 66 OE2 GLU A 5 -12.987 2.756 -5.638 1.00 33.42 O ATOM 0 H GLU A 5 -10.082 -1.260 -5.582 1.00 42.35 H new ATOM 0 HA GLU A 5 -9.717 1.431 -6.395 1.00 62.14 H new ATOM 0 HB2 GLU A 5 -10.296 0.209 -3.653 1.00 42.10 H new ATOM 0 HB3 GLU A 5 -10.435 1.916 -4.025 1.00 42.10 H new ATOM 0 HG2 GLU A 5 -12.089 -0.318 -5.283 1.00 5.41 H new ATOM 0 HG3 GLU A 5 -12.641 0.786 -4.040 1.00 5.41 H new ATOM 73 N LEU A 6 -7.345 0.160 -4.515 1.00 51.33 N ATOM 74 CA LEU A 6 -5.953 0.340 -4.077 1.00 31.00 C ATOM 75 C LEU A 6 -5.065 0.665 -5.295 1.00 61.10 C ATOM 76 O LEU A 6 -4.234 1.571 -5.235 1.00 55.41 O ATOM 77 CB LEU A 6 -5.445 -0.931 -3.346 1.00 34.25 C ATOM 78 CG LEU A 6 -3.979 -0.866 -2.793 1.00 33.53 C ATOM 79 CD1 LEU A 6 -3.800 0.250 -1.737 1.00 5.30 C ATOM 80 CD2 LEU A 6 -3.542 -2.229 -2.237 1.00 33.42 C ATOM 0 H LEU A 6 -7.703 -0.784 -4.369 1.00 51.33 H new ATOM 0 HA LEU A 6 -5.904 1.172 -3.375 1.00 31.00 H new ATOM 0 HB2 LEU A 6 -6.117 -1.141 -2.514 1.00 34.25 H new ATOM 0 HB3 LEU A 6 -5.516 -1.774 -4.033 1.00 34.25 H new ATOM 0 HG LEU A 6 -3.331 -0.614 -3.632 1.00 33.53 H new ATOM 0 HD11 LEU A 6 -2.769 0.255 -1.384 1.00 5.30 H new ATOM 0 HD12 LEU A 6 -4.035 1.216 -2.185 1.00 5.30 H new ATOM 0 HD13 LEU A 6 -4.470 0.067 -0.897 1.00 5.30 H new ATOM 0 HD21 LEU A 6 -2.522 -2.158 -1.860 1.00 33.42 H new ATOM 0 HD22 LEU A 6 -4.209 -2.522 -1.426 1.00 33.42 H new ATOM 0 HD23 LEU A 6 -3.584 -2.976 -3.030 1.00 33.42 H new ATOM 92 N ARG A 7 -5.306 -0.059 -6.414 1.00 4.11 N ATOM 93 CA ARG A 7 -4.581 0.148 -7.684 1.00 52.34 C ATOM 94 C ARG A 7 -4.897 1.536 -8.272 1.00 22.04 C ATOM 95 O ARG A 7 -3.995 2.228 -8.747 1.00 64.34 O ATOM 96 CB ARG A 7 -4.934 -0.964 -8.717 1.00 21.23 C ATOM 97 CG ARG A 7 -4.025 -0.980 -9.969 1.00 42.41 C ATOM 98 CD ARG A 7 -4.297 -2.160 -10.929 1.00 74.32 C ATOM 99 NE ARG A 7 -3.328 -2.170 -12.040 1.00 41.32 N ATOM 100 CZ ARG A 7 -3.405 -2.901 -13.166 1.00 44.10 C ATOM 101 NH1 ARG A 7 -4.432 -3.723 -13.396 1.00 22.34 N ATOM 102 NH2 ARG A 7 -2.429 -2.804 -14.063 1.00 13.44 N ATOM 0 H ARG A 7 -6.006 -0.799 -6.459 1.00 4.11 H new ATOM 0 HA ARG A 7 -3.514 0.093 -7.470 1.00 52.34 H new ATOM 0 HB2 ARG A 7 -4.872 -1.934 -8.225 1.00 21.23 H new ATOM 0 HB3 ARG A 7 -5.968 -0.834 -9.035 1.00 21.23 H new ATOM 0 HG2 ARG A 7 -4.157 -0.045 -10.513 1.00 42.41 H new ATOM 0 HG3 ARG A 7 -2.984 -1.018 -9.649 1.00 42.41 H new ATOM 0 HD2 ARG A 7 -4.238 -3.100 -10.381 1.00 74.32 H new ATOM 0 HD3 ARG A 7 -5.310 -2.085 -11.325 1.00 74.32 H new ATOM 0 HE ARG A 7 -2.516 -1.560 -11.945 1.00 41.32 H new ATOM 0 HH11 ARG A 7 -5.182 -3.807 -12.709 1.00 22.34 H new ATOM 0 HH12 ARG A 7 -4.467 -4.267 -14.258 1.00 22.34 H new ATOM 0 HH21 ARG A 7 -1.639 -2.183 -13.891 1.00 13.44 H new ATOM 0 HH22 ARG A 7 -2.470 -3.351 -14.923 1.00 13.44 H new ATOM 116 N GLN A 8 -6.188 1.947 -8.184 1.00 32.23 N ATOM 117 CA GLN A 8 -6.659 3.242 -8.718 1.00 31.35 C ATOM 118 C GLN A 8 -5.994 4.403 -7.960 1.00 12.44 C ATOM 119 O GLN A 8 -5.688 5.435 -8.543 1.00 52.12 O ATOM 120 CB GLN A 8 -8.212 3.390 -8.621 1.00 11.34 C ATOM 121 CG GLN A 8 -9.048 2.247 -9.237 1.00 62.23 C ATOM 122 CD GLN A 8 -8.723 1.893 -10.694 1.00 50.10 C ATOM 123 OE1 GLN A 8 -8.812 0.726 -11.090 1.00 53.20 O ATOM 124 NE2 GLN A 8 -8.409 2.882 -11.521 1.00 4.24 N ATOM 0 H GLN A 8 -6.922 1.392 -7.744 1.00 32.23 H new ATOM 0 HA GLN A 8 -6.380 3.273 -9.771 1.00 31.35 H new ATOM 0 HB2 GLN A 8 -8.482 3.483 -7.569 1.00 11.34 H new ATOM 0 HB3 GLN A 8 -8.498 4.323 -9.107 1.00 11.34 H new ATOM 0 HG2 GLN A 8 -8.913 1.354 -8.627 1.00 62.23 H new ATOM 0 HG3 GLN A 8 -10.102 2.519 -9.175 1.00 62.23 H new ATOM 0 HE21 GLN A 8 -8.341 3.838 -11.171 1.00 4.24 H new ATOM 0 HE22 GLN A 8 -8.235 2.687 -12.507 1.00 4.24 H new ATOM 133 N LEU A 9 -5.758 4.185 -6.652 1.00 22.13 N ATOM 134 CA LEU A 9 -5.140 5.176 -5.747 1.00 35.44 C ATOM 135 C LEU A 9 -3.683 5.465 -6.175 1.00 53.11 C ATOM 136 O LEU A 9 -3.213 6.603 -6.089 1.00 23.13 O ATOM 137 CB LEU A 9 -5.225 4.645 -4.282 1.00 70.32 C ATOM 138 CG LEU A 9 -4.800 5.623 -3.134 1.00 43.02 C ATOM 139 CD1 LEU A 9 -5.598 6.942 -3.181 1.00 2.20 C ATOM 140 CD2 LEU A 9 -4.944 4.950 -1.748 1.00 74.33 C ATOM 0 H LEU A 9 -5.993 3.307 -6.188 1.00 22.13 H new ATOM 0 HA LEU A 9 -5.679 6.122 -5.804 1.00 35.44 H new ATOM 0 HB2 LEU A 9 -6.253 4.334 -4.096 1.00 70.32 H new ATOM 0 HB3 LEU A 9 -4.604 3.752 -4.211 1.00 70.32 H new ATOM 0 HG LEU A 9 -3.749 5.866 -3.292 1.00 43.02 H new ATOM 0 HD11 LEU A 9 -5.274 7.593 -2.369 1.00 2.20 H new ATOM 0 HD12 LEU A 9 -5.424 7.439 -4.135 1.00 2.20 H new ATOM 0 HD13 LEU A 9 -6.661 6.728 -3.072 1.00 2.20 H new ATOM 0 HD21 LEU A 9 -4.642 5.651 -0.970 1.00 74.33 H new ATOM 0 HD22 LEU A 9 -5.983 4.659 -1.591 1.00 74.33 H new ATOM 0 HD23 LEU A 9 -4.309 4.065 -1.705 1.00 74.33 H new ATOM 152 N LEU A 10 -3.013 4.420 -6.696 1.00 42.11 N ATOM 153 CA LEU A 10 -1.623 4.499 -7.196 1.00 30.42 C ATOM 154 C LEU A 10 -1.599 5.159 -8.600 1.00 32.11 C ATOM 155 O LEU A 10 -0.668 5.896 -8.942 1.00 54.10 O ATOM 156 CB LEU A 10 -1.008 3.064 -7.245 1.00 35.33 C ATOM 157 CG LEU A 10 -1.216 2.182 -5.968 1.00 5.04 C ATOM 158 CD1 LEU A 10 -0.690 0.748 -6.167 1.00 11.41 C ATOM 159 CD2 LEU A 10 -0.607 2.832 -4.708 1.00 44.52 C ATOM 0 H LEU A 10 -3.422 3.490 -6.783 1.00 42.11 H new ATOM 0 HA LEU A 10 -1.026 5.114 -6.523 1.00 30.42 H new ATOM 0 HB2 LEU A 10 -1.434 2.537 -8.099 1.00 35.33 H new ATOM 0 HB3 LEU A 10 0.063 3.156 -7.428 1.00 35.33 H new ATOM 0 HG LEU A 10 -2.292 2.116 -5.809 1.00 5.04 H new ATOM 0 HD11 LEU A 10 -0.854 0.171 -5.257 1.00 11.41 H new ATOM 0 HD12 LEU A 10 -1.220 0.278 -6.996 1.00 11.41 H new ATOM 0 HD13 LEU A 10 0.377 0.779 -6.389 1.00 11.41 H new ATOM 0 HD21 LEU A 10 -0.775 2.185 -3.847 1.00 44.52 H new ATOM 0 HD22 LEU A 10 0.464 2.972 -4.853 1.00 44.52 H new ATOM 0 HD23 LEU A 10 -1.079 3.799 -4.533 1.00 44.52 H new ATOM 171 N LEU A 11 -2.656 4.880 -9.399 1.00 24.13 N ATOM 172 CA LEU A 11 -2.832 5.426 -10.768 1.00 22.25 C ATOM 173 C LEU A 11 -3.253 6.917 -10.745 1.00 63.24 C ATOM 174 O LEU A 11 -2.995 7.653 -11.700 1.00 25.41 O ATOM 175 CB LEU A 11 -3.893 4.597 -11.548 1.00 41.53 C ATOM 176 CG LEU A 11 -3.549 3.099 -11.817 1.00 1.31 C ATOM 177 CD1 LEU A 11 -4.737 2.364 -12.474 1.00 51.21 C ATOM 178 CD2 LEU A 11 -2.268 2.957 -12.667 1.00 34.43 C ATOM 0 H LEU A 11 -3.417 4.265 -9.110 1.00 24.13 H new ATOM 0 HA LEU A 11 -1.868 5.355 -11.271 1.00 22.25 H new ATOM 0 HB2 LEU A 11 -4.831 4.637 -10.994 1.00 41.53 H new ATOM 0 HB3 LEU A 11 -4.068 5.084 -12.507 1.00 41.53 H new ATOM 0 HG LEU A 11 -3.357 2.629 -10.853 1.00 1.31 H new ATOM 0 HD11 LEU A 11 -4.468 1.322 -12.650 1.00 51.21 H new ATOM 0 HD12 LEU A 11 -5.603 2.409 -11.813 1.00 51.21 H new ATOM 0 HD13 LEU A 11 -4.980 2.841 -13.423 1.00 51.21 H new ATOM 0 HD21 LEU A 11 -2.058 1.901 -12.835 1.00 34.43 H new ATOM 0 HD22 LEU A 11 -2.410 3.456 -13.626 1.00 34.43 H new ATOM 0 HD23 LEU A 11 -1.430 3.414 -12.141 1.00 34.43 H new ATOM 190 N ASP A 12 -3.927 7.339 -9.664 1.00 64.12 N ATOM 191 CA ASP A 12 -4.328 8.752 -9.466 1.00 50.20 C ATOM 192 C ASP A 12 -3.155 9.571 -8.932 1.00 14.30 C ATOM 193 O ASP A 12 -2.954 10.721 -9.335 1.00 12.33 O ATOM 194 CB ASP A 12 -5.535 8.880 -8.485 1.00 14.13 C ATOM 195 CG ASP A 12 -6.893 8.577 -9.135 1.00 75.33 C ATOM 196 OD1 ASP A 12 -7.302 9.334 -10.041 1.00 60.23 O ATOM 197 OD2 ASP A 12 -7.571 7.613 -8.729 1.00 0.55 O ATOM 0 H ASP A 12 -4.211 6.720 -8.904 1.00 64.12 H new ATOM 0 HA ASP A 12 -4.633 9.138 -10.439 1.00 50.20 H new ATOM 0 HB2 ASP A 12 -5.384 8.200 -7.646 1.00 14.13 H new ATOM 0 HB3 ASP A 12 -5.555 9.891 -8.077 1.00 14.13 H new ATOM 202 N LYS A 13 -2.389 8.965 -8.012 1.00 21.15 N ATOM 203 CA LYS A 13 -1.314 9.658 -7.299 1.00 73.54 C ATOM 204 C LYS A 13 -0.061 9.802 -8.174 1.00 34.42 C ATOM 205 O LYS A 13 0.453 10.912 -8.372 1.00 33.21 O ATOM 206 CB LYS A 13 -0.967 8.911 -5.982 1.00 21.51 C ATOM 207 CG LYS A 13 0.034 9.664 -5.081 1.00 73.44 C ATOM 208 CD LYS A 13 -0.496 11.041 -4.646 1.00 65.23 C ATOM 209 CE LYS A 13 0.537 11.879 -3.888 1.00 53.22 C ATOM 210 NZ LYS A 13 -0.081 13.137 -3.388 1.00 44.03 N ATOM 0 H LYS A 13 -2.499 7.987 -7.745 1.00 21.15 H new ATOM 0 HA LYS A 13 -1.670 10.659 -7.056 1.00 73.54 H new ATOM 0 HB2 LYS A 13 -1.886 8.737 -5.422 1.00 21.51 H new ATOM 0 HB3 LYS A 13 -0.554 7.933 -6.229 1.00 21.51 H new ATOM 0 HG2 LYS A 13 0.247 9.063 -4.197 1.00 73.44 H new ATOM 0 HG3 LYS A 13 0.976 9.791 -5.615 1.00 73.44 H new ATOM 0 HD2 LYS A 13 -0.823 11.592 -5.528 1.00 65.23 H new ATOM 0 HD3 LYS A 13 -1.373 10.901 -4.015 1.00 65.23 H new ATOM 0 HE2 LYS A 13 0.937 11.305 -3.052 1.00 53.22 H new ATOM 0 HE3 LYS A 13 1.376 12.114 -4.543 1.00 53.22 H new ATOM 0 HZ1 LYS A 13 0.632 13.695 -2.876 1.00 44.03 H new ATOM 0 HZ2 LYS A 13 -0.441 13.690 -4.192 1.00 44.03 H new ATOM 0 HZ3 LYS A 13 -0.866 12.907 -2.746 1.00 44.03 H new ATOM 224 N TRP A 14 0.430 8.664 -8.683 1.00 74.14 N ATOM 225 CA TRP A 14 1.721 8.585 -9.396 1.00 72.45 C ATOM 226 C TRP A 14 1.539 8.225 -10.883 1.00 3.03 C ATOM 227 O TRP A 14 2.470 8.398 -11.682 1.00 12.13 O ATOM 228 CB TRP A 14 2.628 7.552 -8.684 1.00 11.35 C ATOM 229 CG TRP A 14 2.911 7.908 -7.239 1.00 53.22 C ATOM 230 CD1 TRP A 14 3.550 9.024 -6.801 1.00 42.41 C ATOM 231 CD2 TRP A 14 2.557 7.169 -6.055 1.00 14.31 C ATOM 232 NE1 TRP A 14 3.621 9.030 -5.433 1.00 31.41 N ATOM 233 CE2 TRP A 14 3.022 7.908 -4.948 1.00 43.53 C ATOM 234 CE3 TRP A 14 1.899 5.961 -5.818 1.00 61.43 C ATOM 235 CZ2 TRP A 14 2.856 7.484 -3.632 1.00 52.22 C ATOM 236 CZ3 TRP A 14 1.729 5.545 -4.510 1.00 21.14 C ATOM 237 CH2 TRP A 14 2.206 6.304 -3.432 1.00 71.43 C ATOM 0 H TRP A 14 -0.054 7.769 -8.614 1.00 74.14 H new ATOM 0 HA TRP A 14 2.192 9.568 -9.370 1.00 72.45 H new ATOM 0 HB2 TRP A 14 2.154 6.572 -8.724 1.00 11.35 H new ATOM 0 HB3 TRP A 14 3.571 7.472 -9.224 1.00 11.35 H new ATOM 0 HD1 TRP A 14 3.946 9.798 -7.442 1.00 42.41 H new ATOM 0 HE1 TRP A 14 4.054 9.760 -4.867 1.00 31.41 H new ATOM 0 HE3 TRP A 14 1.530 5.364 -6.639 1.00 61.43 H new ATOM 0 HZ2 TRP A 14 3.228 8.068 -2.803 1.00 52.22 H new ATOM 0 HZ3 TRP A 14 1.217 4.614 -4.315 1.00 21.14 H new ATOM 0 HH2 TRP A 14 2.055 5.946 -2.424 1.00 71.43 H new ATOM 248 N GLY A 15 0.341 7.724 -11.239 1.00 15.44 N ATOM 249 CA GLY A 15 0.033 7.337 -12.624 1.00 70.33 C ATOM 250 C GLY A 15 0.614 5.983 -13.016 1.00 13.44 C ATOM 251 O GLY A 15 0.760 5.686 -14.205 1.00 40.14 O ATOM 0 H GLY A 15 -0.428 7.579 -10.585 1.00 15.44 H new ATOM 0 HA2 GLY A 15 -1.049 7.312 -12.755 1.00 70.33 H new ATOM 0 HA3 GLY A 15 0.418 8.099 -13.301 1.00 70.33 H new ATOM 255 N TYR A 16 0.969 5.169 -12.003 1.00 71.54 N ATOM 256 CA TYR A 16 1.557 3.826 -12.190 1.00 63.53 C ATOM 257 C TYR A 16 1.067 2.904 -11.070 1.00 53.33 C ATOM 258 O TYR A 16 0.916 3.337 -9.922 1.00 61.13 O ATOM 259 CB TYR A 16 3.114 3.859 -12.185 1.00 44.13 C ATOM 260 CG TYR A 16 3.745 4.636 -13.347 1.00 34.45 C ATOM 261 CD1 TYR A 16 4.006 4.014 -14.568 1.00 15.02 C ATOM 262 CD2 TYR A 16 4.062 5.994 -13.232 1.00 65.24 C ATOM 263 CE1 TYR A 16 4.553 4.713 -15.627 1.00 23.11 C ATOM 264 CE2 TYR A 16 4.610 6.692 -14.289 1.00 42.12 C ATOM 265 CZ TYR A 16 4.853 6.048 -15.482 1.00 2.00 C ATOM 266 OH TYR A 16 5.400 6.748 -16.541 1.00 63.41 O ATOM 0 H TYR A 16 0.855 5.426 -11.023 1.00 71.54 H new ATOM 0 HA TYR A 16 1.238 3.455 -13.164 1.00 63.53 H new ATOM 0 HB2 TYR A 16 3.451 4.299 -11.247 1.00 44.13 H new ATOM 0 HB3 TYR A 16 3.485 2.834 -12.208 1.00 44.13 H new ATOM 0 HD1 TYR A 16 3.776 2.966 -14.688 1.00 15.02 H new ATOM 0 HD2 TYR A 16 3.874 6.505 -12.299 1.00 65.24 H new ATOM 0 HE1 TYR A 16 4.744 4.213 -16.565 1.00 23.11 H new ATOM 0 HE2 TYR A 16 4.848 7.740 -14.181 1.00 42.12 H new ATOM 0 HH TYR A 16 5.551 7.679 -16.275 1.00 63.41 H new ATOM 276 N SER A 17 0.823 1.640 -11.422 1.00 5.31 N ATOM 277 CA SER A 17 0.366 0.615 -10.490 1.00 2.52 C ATOM 278 C SER A 17 1.581 -0.083 -9.842 1.00 62.53 C ATOM 279 O SER A 17 2.224 -0.933 -10.468 1.00 33.51 O ATOM 280 CB SER A 17 -0.536 -0.386 -11.250 1.00 12.05 C ATOM 281 OG SER A 17 0.088 -0.898 -12.422 1.00 64.41 O ATOM 0 H SER A 17 0.940 1.298 -12.376 1.00 5.31 H new ATOM 0 HA SER A 17 -0.219 1.063 -9.687 1.00 2.52 H new ATOM 0 HB2 SER A 17 -0.794 -1.213 -10.588 1.00 12.05 H new ATOM 0 HB3 SER A 17 -1.469 0.106 -11.524 1.00 12.05 H new ATOM 0 HG SER A 17 1.022 -1.118 -12.225 1.00 64.41 H new ATOM 287 N TYR A 18 1.887 0.294 -8.587 1.00 71.24 N ATOM 288 CA TYR A 18 3.060 -0.207 -7.847 1.00 0.11 C ATOM 289 C TYR A 18 2.682 -1.361 -6.907 1.00 31.10 C ATOM 290 O TYR A 18 1.564 -1.418 -6.387 1.00 4.02 O ATOM 291 CB TYR A 18 3.694 0.937 -7.019 1.00 12.43 C ATOM 292 CG TYR A 18 4.270 2.081 -7.856 1.00 10.34 C ATOM 293 CD1 TYR A 18 5.525 1.968 -8.459 1.00 43.44 C ATOM 294 CD2 TYR A 18 3.566 3.270 -8.041 1.00 33.43 C ATOM 295 CE1 TYR A 18 6.055 3.000 -9.208 1.00 53.41 C ATOM 296 CE2 TYR A 18 4.095 4.300 -8.790 1.00 25.44 C ATOM 297 CZ TYR A 18 5.336 4.162 -9.376 1.00 62.43 C ATOM 298 OH TYR A 18 5.859 5.194 -10.128 1.00 42.53 O ATOM 0 H TYR A 18 1.325 0.958 -8.055 1.00 71.24 H new ATOM 0 HA TYR A 18 3.777 -0.578 -8.579 1.00 0.11 H new ATOM 0 HB2 TYR A 18 2.940 1.341 -6.344 1.00 12.43 H new ATOM 0 HB3 TYR A 18 4.488 0.522 -6.398 1.00 12.43 H new ATOM 0 HD1 TYR A 18 6.091 1.057 -8.337 1.00 43.44 H new ATOM 0 HD2 TYR A 18 2.591 3.386 -7.591 1.00 33.43 H new ATOM 0 HE1 TYR A 18 7.030 2.896 -9.660 1.00 53.41 H new ATOM 0 HE2 TYR A 18 3.537 5.216 -8.918 1.00 25.44 H new ATOM 0 HH TYR A 18 5.329 5.304 -10.945 1.00 42.53 H new ATOM 308 N ASP A 19 3.633 -2.279 -6.720 1.00 63.14 N ATOM 309 CA ASP A 19 3.600 -3.287 -5.649 1.00 32.13 C ATOM 310 C ASP A 19 3.611 -2.576 -4.283 1.00 41.43 C ATOM 311 O ASP A 19 4.203 -1.507 -4.146 1.00 42.41 O ATOM 312 CB ASP A 19 4.829 -4.230 -5.802 1.00 70.54 C ATOM 313 CG ASP A 19 4.921 -5.348 -4.751 1.00 31.15 C ATOM 314 OD1 ASP A 19 3.876 -5.922 -4.369 1.00 12.43 O ATOM 315 OD2 ASP A 19 6.049 -5.672 -4.313 1.00 5.24 O ATOM 0 H ASP A 19 4.460 -2.347 -7.314 1.00 63.14 H new ATOM 0 HA ASP A 19 2.692 -3.887 -5.716 1.00 32.13 H new ATOM 0 HB2 ASP A 19 4.799 -4.684 -6.793 1.00 70.54 H new ATOM 0 HB3 ASP A 19 5.738 -3.630 -5.753 1.00 70.54 H new ATOM 320 N VAL A 20 2.929 -3.155 -3.292 1.00 22.32 N ATOM 321 CA VAL A 20 2.832 -2.592 -1.930 1.00 1.24 C ATOM 322 C VAL A 20 2.965 -3.743 -0.906 1.00 32.43 C ATOM 323 O VAL A 20 2.260 -4.756 -1.008 1.00 13.15 O ATOM 324 CB VAL A 20 1.477 -1.789 -1.716 1.00 53.13 C ATOM 325 CG1 VAL A 20 1.452 -0.461 -2.514 1.00 61.32 C ATOM 326 CG2 VAL A 20 0.239 -2.646 -2.072 1.00 11.44 C ATOM 0 H VAL A 20 2.423 -4.033 -3.406 1.00 22.32 H new ATOM 0 HA VAL A 20 3.641 -1.876 -1.785 1.00 1.24 H new ATOM 0 HB VAL A 20 1.433 -1.545 -0.655 1.00 53.13 H new ATOM 0 HG11 VAL A 20 0.507 0.052 -2.336 1.00 61.32 H new ATOM 0 HG12 VAL A 20 2.277 0.174 -2.190 1.00 61.32 H new ATOM 0 HG13 VAL A 20 1.555 -0.674 -3.578 1.00 61.32 H new ATOM 0 HG21 VAL A 20 -0.667 -2.061 -1.912 1.00 11.44 H new ATOM 0 HG22 VAL A 20 0.295 -2.950 -3.117 1.00 11.44 H new ATOM 0 HG23 VAL A 20 0.215 -3.532 -1.438 1.00 11.44 H new ATOM 336 N GLN A 21 3.891 -3.598 0.059 1.00 45.31 N ATOM 337 CA GLN A 21 4.194 -4.652 1.055 1.00 75.24 C ATOM 338 C GLN A 21 3.915 -4.157 2.478 1.00 52.34 C ATOM 339 O GLN A 21 4.033 -2.967 2.764 1.00 3.43 O ATOM 340 CB GLN A 21 5.679 -5.110 0.937 1.00 5.53 C ATOM 341 CG GLN A 21 6.730 -4.021 1.256 1.00 42.33 C ATOM 342 CD GLN A 21 8.183 -4.521 1.232 1.00 13.23 C ATOM 343 OE1 GLN A 21 8.528 -5.461 0.515 1.00 74.32 O ATOM 344 NE2 GLN A 21 9.052 -3.875 1.997 1.00 13.02 N ATOM 0 H GLN A 21 4.450 -2.753 0.174 1.00 45.31 H new ATOM 0 HA GLN A 21 3.544 -5.502 0.848 1.00 75.24 H new ATOM 0 HB2 GLN A 21 5.837 -5.953 1.609 1.00 5.53 H new ATOM 0 HB3 GLN A 21 5.851 -5.473 -0.076 1.00 5.53 H new ATOM 0 HG2 GLN A 21 6.625 -3.209 0.536 1.00 42.33 H new ATOM 0 HG3 GLN A 21 6.517 -3.604 2.240 1.00 42.33 H new ATOM 0 HE21 GLN A 21 8.739 -3.100 2.581 1.00 13.02 H new ATOM 0 HE22 GLN A 21 10.033 -4.153 2.001 1.00 13.02 H new ATOM 353 N PHE A 22 3.537 -5.086 3.363 1.00 54.13 N ATOM 354 CA PHE A 22 3.412 -4.829 4.807 1.00 42.33 C ATOM 355 C PHE A 22 4.727 -5.159 5.524 1.00 74.51 C ATOM 356 O PHE A 22 5.460 -6.069 5.115 1.00 4.44 O ATOM 357 CB PHE A 22 2.254 -5.656 5.411 1.00 54.20 C ATOM 358 CG PHE A 22 0.873 -5.140 5.031 1.00 43.04 C ATOM 359 CD1 PHE A 22 0.416 -3.911 5.520 1.00 11.43 C ATOM 360 CD2 PHE A 22 0.038 -5.865 4.192 1.00 2.51 C ATOM 361 CE1 PHE A 22 -0.836 -3.443 5.189 1.00 73.03 C ATOM 362 CE2 PHE A 22 -1.209 -5.391 3.868 1.00 73.30 C ATOM 363 CZ PHE A 22 -1.645 -4.176 4.359 1.00 42.33 C ATOM 0 H PHE A 22 3.307 -6.044 3.099 1.00 54.13 H new ATOM 0 HA PHE A 22 3.191 -3.771 4.947 1.00 42.33 H new ATOM 0 HB2 PHE A 22 2.349 -6.691 5.083 1.00 54.20 H new ATOM 0 HB3 PHE A 22 2.347 -5.656 6.497 1.00 54.20 H new ATOM 0 HD1 PHE A 22 1.053 -3.323 6.164 1.00 11.43 H new ATOM 0 HD2 PHE A 22 0.372 -6.810 3.791 1.00 2.51 H new ATOM 0 HE1 PHE A 22 -1.181 -2.498 5.583 1.00 73.03 H new ATOM 0 HE2 PHE A 22 -1.853 -5.972 3.225 1.00 73.30 H new ATOM 0 HZ PHE A 22 -2.622 -3.803 4.090 1.00 42.33 H new ATOM 373 N ARG A 23 5.005 -4.420 6.605 1.00 22.53 N ATOM 374 CA ARG A 23 6.194 -4.627 7.431 1.00 34.03 C ATOM 375 C ARG A 23 5.824 -4.430 8.906 1.00 53.50 C ATOM 376 O ARG A 23 5.232 -3.415 9.272 1.00 62.24 O ATOM 377 CB ARG A 23 7.325 -3.657 7.007 1.00 73.10 C ATOM 378 CG ARG A 23 8.672 -3.920 7.718 1.00 2.40 C ATOM 379 CD ARG A 23 9.794 -2.991 7.241 1.00 43.12 C ATOM 380 NE ARG A 23 11.100 -3.389 7.798 1.00 11.15 N ATOM 381 CZ ARG A 23 12.182 -3.744 7.074 1.00 23.32 C ATOM 382 NH1 ARG A 23 12.138 -3.763 5.742 1.00 32.42 N ATOM 383 NH2 ARG A 23 13.301 -4.071 7.695 1.00 4.21 N ATOM 0 H ARG A 23 4.408 -3.660 6.930 1.00 22.53 H new ATOM 0 HA ARG A 23 6.562 -5.643 7.291 1.00 34.03 H new ATOM 0 HB2 ARG A 23 7.472 -3.734 5.930 1.00 73.10 H new ATOM 0 HB3 ARG A 23 7.010 -2.634 7.213 1.00 73.10 H new ATOM 0 HG2 ARG A 23 8.539 -3.797 8.793 1.00 2.40 H new ATOM 0 HG3 ARG A 23 8.969 -4.955 7.550 1.00 2.40 H new ATOM 0 HD2 ARG A 23 9.842 -3.006 6.152 1.00 43.12 H new ATOM 0 HD3 ARG A 23 9.569 -1.966 7.536 1.00 43.12 H new ATOM 0 HE ARG A 23 11.193 -3.397 8.814 1.00 11.15 H new ATOM 0 HH11 ARG A 23 11.278 -3.507 5.256 1.00 32.42 H new ATOM 0 HH12 ARG A 23 12.964 -4.034 5.208 1.00 32.42 H new ATOM 0 HH21 ARG A 23 13.342 -4.054 8.714 1.00 4.21 H new ATOM 0 HH22 ARG A 23 14.124 -4.341 7.156 1.00 4.21 H new ATOM 397 N ARG A 24 6.182 -5.415 9.736 1.00 73.41 N ATOM 398 CA ARG A 24 5.849 -5.440 11.169 1.00 33.13 C ATOM 399 C ARG A 24 7.127 -5.262 11.994 1.00 41.04 C ATOM 400 O ARG A 24 7.925 -6.199 12.135 1.00 10.44 O ATOM 401 CB ARG A 24 5.146 -6.773 11.523 1.00 40.41 C ATOM 402 CG ARG A 24 3.816 -7.007 10.779 1.00 62.13 C ATOM 403 CD ARG A 24 3.236 -8.404 11.033 1.00 34.13 C ATOM 404 NE ARG A 24 4.175 -9.467 10.624 1.00 11.13 N ATOM 405 CZ ARG A 24 3.836 -10.639 10.067 1.00 41.14 C ATOM 406 NH1 ARG A 24 2.557 -10.949 9.838 1.00 32.33 N ATOM 407 NH2 ARG A 24 4.789 -11.499 9.741 1.00 24.11 N ATOM 0 H ARG A 24 6.717 -6.228 9.431 1.00 73.41 H new ATOM 0 HA ARG A 24 5.167 -4.622 11.401 1.00 33.13 H new ATOM 0 HB2 ARG A 24 5.823 -7.598 11.300 1.00 40.41 H new ATOM 0 HB3 ARG A 24 4.957 -6.797 12.596 1.00 40.41 H new ATOM 0 HG2 ARG A 24 3.092 -6.255 11.092 1.00 62.13 H new ATOM 0 HG3 ARG A 24 3.974 -6.872 9.709 1.00 62.13 H new ATOM 0 HD2 ARG A 24 3.001 -8.514 12.092 1.00 34.13 H new ATOM 0 HD3 ARG A 24 2.300 -8.515 10.485 1.00 34.13 H new ATOM 0 HE ARG A 24 5.168 -9.295 10.778 1.00 11.13 H new ATOM 0 HH11 ARG A 24 1.820 -10.290 10.088 1.00 32.33 H new ATOM 0 HH12 ARG A 24 2.318 -11.845 9.413 1.00 32.33 H new ATOM 0 HH21 ARG A 24 5.767 -11.266 9.914 1.00 24.11 H new ATOM 0 HH22 ARG A 24 4.545 -12.394 9.317 1.00 24.11 H new ATOM 421 N THR A 25 7.334 -4.043 12.495 1.00 11.35 N ATOM 422 CA THR A 25 8.492 -3.701 13.327 1.00 65.44 C ATOM 423 C THR A 25 8.089 -2.666 14.387 1.00 70.32 C ATOM 424 O THR A 25 7.266 -1.781 14.113 1.00 5.22 O ATOM 425 CB THR A 25 9.706 -3.196 12.472 1.00 73.22 C ATOM 426 OG1 THR A 25 10.813 -2.873 13.334 1.00 72.45 O ATOM 427 CG2 THR A 25 9.358 -1.984 11.595 1.00 4.33 C ATOM 0 H THR A 25 6.700 -3.260 12.335 1.00 11.35 H new ATOM 0 HA THR A 25 8.823 -4.610 13.830 1.00 65.44 H new ATOM 0 HB THR A 25 9.978 -4.009 11.799 1.00 73.22 H new ATOM 0 HG1 THR A 25 11.568 -2.560 12.793 1.00 72.45 H new ATOM 0 HG21 THR A 25 10.238 -1.681 11.027 1.00 4.33 H new ATOM 0 HG22 THR A 25 8.556 -2.251 10.906 1.00 4.33 H new ATOM 0 HG23 THR A 25 9.032 -1.158 12.228 1.00 4.33 H new ATOM 435 N GLN A 26 8.646 -2.831 15.611 1.00 31.24 N ATOM 436 CA GLN A 26 8.411 -1.946 16.778 1.00 51.22 C ATOM 437 C GLN A 26 6.952 -2.082 17.288 1.00 45.35 C ATOM 438 O GLN A 26 6.448 -1.212 18.005 1.00 73.33 O ATOM 439 CB GLN A 26 8.787 -0.450 16.462 1.00 50.00 C ATOM 440 CG GLN A 26 10.203 -0.240 15.861 1.00 21.32 C ATOM 441 CD GLN A 26 11.357 -0.741 16.746 1.00 0.34 C ATOM 442 OE1 GLN A 26 11.287 -0.711 17.976 1.00 2.25 O ATOM 443 NE2 GLN A 26 12.422 -1.229 16.122 1.00 4.31 N ATOM 0 H GLN A 26 9.284 -3.599 15.819 1.00 31.24 H new ATOM 0 HA GLN A 26 9.073 -2.270 17.581 1.00 51.22 H new ATOM 0 HB2 GLN A 26 8.051 -0.045 15.767 1.00 50.00 H new ATOM 0 HB3 GLN A 26 8.710 0.130 17.382 1.00 50.00 H new ATOM 0 HG2 GLN A 26 10.254 -0.749 14.899 1.00 21.32 H new ATOM 0 HG3 GLN A 26 10.347 0.823 15.667 1.00 21.32 H new ATOM 0 HE21 GLN A 26 12.454 -1.242 15.103 1.00 4.31 H new ATOM 0 HE22 GLN A 26 13.208 -1.591 16.662 1.00 4.31 H new ATOM 452 N GLY A 27 6.307 -3.226 16.934 1.00 14.44 N ATOM 453 CA GLY A 27 4.893 -3.487 17.247 1.00 41.53 C ATOM 454 C GLY A 27 3.925 -2.863 16.242 1.00 14.44 C ATOM 455 O GLY A 27 2.709 -3.067 16.334 1.00 54.43 O ATOM 0 H GLY A 27 6.760 -3.985 16.425 1.00 14.44 H new ATOM 0 HA2 GLY A 27 4.728 -4.564 17.279 1.00 41.53 H new ATOM 0 HA3 GLY A 27 4.671 -3.101 18.242 1.00 41.53 H new ATOM 459 N LYS A 28 4.479 -2.115 15.270 1.00 45.25 N ATOM 460 CA LYS A 28 3.710 -1.307 14.309 1.00 13.02 C ATOM 461 C LYS A 28 3.642 -1.994 12.934 1.00 71.30 C ATOM 462 O LYS A 28 4.480 -2.847 12.616 1.00 3.33 O ATOM 463 CB LYS A 28 4.388 0.078 14.169 1.00 20.11 C ATOM 464 CG LYS A 28 4.691 0.772 15.512 1.00 10.12 C ATOM 465 CD LYS A 28 5.577 2.025 15.343 1.00 50.52 C ATOM 466 CE LYS A 28 6.008 2.629 16.687 1.00 72.45 C ATOM 467 NZ LYS A 28 6.874 3.827 16.514 1.00 52.31 N ATOM 0 H LYS A 28 5.487 -2.055 15.129 1.00 45.25 H new ATOM 0 HA LYS A 28 2.690 -1.195 14.678 1.00 13.02 H new ATOM 0 HB2 LYS A 28 5.320 -0.040 13.616 1.00 20.11 H new ATOM 0 HB3 LYS A 28 3.744 0.727 13.575 1.00 20.11 H new ATOM 0 HG2 LYS A 28 3.754 1.056 15.990 1.00 10.12 H new ATOM 0 HG3 LYS A 28 5.188 0.067 16.178 1.00 10.12 H new ATOM 0 HD2 LYS A 28 6.464 1.763 14.766 1.00 50.52 H new ATOM 0 HD3 LYS A 28 5.033 2.775 14.769 1.00 50.52 H new ATOM 0 HE2 LYS A 28 5.123 2.903 17.261 1.00 72.45 H new ATOM 0 HE3 LYS A 28 6.543 1.877 17.266 1.00 72.45 H new ATOM 0 HZ1 LYS A 28 7.140 4.201 17.447 1.00 52.31 H new ATOM 0 HZ2 LYS A 28 7.732 3.562 15.989 1.00 52.31 H new ATOM 0 HZ3 LYS A 28 6.356 4.556 15.984 1.00 52.31 H new ATOM 481 N ILE A 29 2.664 -1.572 12.114 1.00 40.53 N ATOM 482 CA ILE A 29 2.452 -2.090 10.754 1.00 24.34 C ATOM 483 C ILE A 29 2.603 -0.932 9.730 1.00 71.34 C ATOM 484 O ILE A 29 2.027 0.153 9.895 1.00 43.22 O ATOM 485 CB ILE A 29 1.045 -2.806 10.648 1.00 13.34 C ATOM 486 CG1 ILE A 29 0.816 -3.455 9.245 1.00 32.31 C ATOM 487 CG2 ILE A 29 -0.112 -1.856 11.015 1.00 70.42 C ATOM 488 CD1 ILE A 29 1.793 -4.567 8.899 1.00 62.31 C ATOM 0 H ILE A 29 1.991 -0.853 12.381 1.00 40.53 H new ATOM 0 HA ILE A 29 3.207 -2.842 10.523 1.00 24.34 H new ATOM 0 HB ILE A 29 1.055 -3.613 11.380 1.00 13.34 H new ATOM 0 HG12 ILE A 29 -0.198 -3.853 9.204 1.00 32.31 H new ATOM 0 HG13 ILE A 29 0.885 -2.678 8.484 1.00 32.31 H new ATOM 0 HG21 ILE A 29 -1.060 -2.387 10.929 1.00 70.42 H new ATOM 0 HG22 ILE A 29 0.016 -1.505 12.039 1.00 70.42 H new ATOM 0 HG23 ILE A 29 -0.111 -1.003 10.337 1.00 70.42 H new ATOM 0 HD11 ILE A 29 1.561 -4.960 7.909 1.00 62.31 H new ATOM 0 HD12 ILE A 29 2.809 -4.173 8.904 1.00 62.31 H new ATOM 0 HD13 ILE A 29 1.710 -5.366 9.635 1.00 62.31 H new ATOM 500 N PHE A 30 3.427 -1.175 8.693 1.00 31.01 N ATOM 501 CA PHE A 30 3.792 -0.175 7.666 1.00 41.44 C ATOM 502 C PHE A 30 3.479 -0.733 6.279 1.00 34.30 C ATOM 503 O PHE A 30 4.001 -1.792 5.915 1.00 64.24 O ATOM 504 CB PHE A 30 5.314 0.152 7.745 1.00 11.11 C ATOM 505 CG PHE A 30 5.774 0.729 9.084 1.00 13.44 C ATOM 506 CD1 PHE A 30 6.188 -0.108 10.125 1.00 53.12 C ATOM 507 CD2 PHE A 30 5.781 2.108 9.308 1.00 13.22 C ATOM 508 CE1 PHE A 30 6.596 0.414 11.337 1.00 23.14 C ATOM 509 CE2 PHE A 30 6.188 2.626 10.526 1.00 72.24 C ATOM 510 CZ PHE A 30 6.592 1.781 11.538 1.00 61.22 C ATOM 0 H PHE A 30 3.865 -2.084 8.541 1.00 31.01 H new ATOM 0 HA PHE A 30 3.218 0.734 7.844 1.00 41.44 H new ATOM 0 HB2 PHE A 30 5.878 -0.759 7.544 1.00 11.11 H new ATOM 0 HB3 PHE A 30 5.561 0.861 6.955 1.00 11.11 H new ATOM 0 HD1 PHE A 30 6.189 -1.178 9.979 1.00 53.12 H new ATOM 0 HD2 PHE A 30 5.465 2.778 8.522 1.00 13.22 H new ATOM 0 HE1 PHE A 30 6.918 -0.247 12.128 1.00 23.14 H new ATOM 0 HE2 PHE A 30 6.189 3.694 10.684 1.00 72.24 H new ATOM 0 HZ PHE A 30 6.905 2.188 12.488 1.00 61.22 H new ATOM 520 N LEU A 31 2.631 -0.037 5.508 1.00 42.01 N ATOM 521 CA LEU A 31 2.409 -0.370 4.095 1.00 50.33 C ATOM 522 C LEU A 31 3.400 0.439 3.234 1.00 35.42 C ATOM 523 O LEU A 31 3.169 1.610 2.931 1.00 30.00 O ATOM 524 CB LEU A 31 0.941 -0.099 3.658 1.00 14.13 C ATOM 525 CG LEU A 31 0.598 -0.539 2.194 1.00 64.05 C ATOM 526 CD1 LEU A 31 0.826 -2.054 2.007 1.00 50.41 C ATOM 527 CD2 LEU A 31 -0.838 -0.126 1.796 1.00 64.44 C ATOM 0 H LEU A 31 2.088 0.760 5.840 1.00 42.01 H new ATOM 0 HA LEU A 31 2.582 -1.437 3.953 1.00 50.33 H new ATOM 0 HB2 LEU A 31 0.271 -0.617 4.344 1.00 14.13 H new ATOM 0 HB3 LEU A 31 0.738 0.967 3.759 1.00 14.13 H new ATOM 0 HG LEU A 31 1.277 -0.015 1.522 1.00 64.05 H new ATOM 0 HD11 LEU A 31 0.581 -2.335 0.983 1.00 50.41 H new ATOM 0 HD12 LEU A 31 1.870 -2.292 2.209 1.00 50.41 H new ATOM 0 HD13 LEU A 31 0.188 -2.606 2.697 1.00 50.41 H new ATOM 0 HD21 LEU A 31 -1.039 -0.448 0.774 1.00 64.44 H new ATOM 0 HD22 LEU A 31 -1.552 -0.596 2.472 1.00 64.44 H new ATOM 0 HD23 LEU A 31 -0.936 0.958 1.861 1.00 64.44 H new ATOM 539 N GLN A 32 4.517 -0.196 2.877 1.00 55.33 N ATOM 540 CA GLN A 32 5.585 0.416 2.081 1.00 22.51 C ATOM 541 C GLN A 32 5.312 0.224 0.580 1.00 31.32 C ATOM 542 O GLN A 32 5.402 -0.898 0.060 1.00 50.23 O ATOM 543 CB GLN A 32 6.949 -0.198 2.494 1.00 11.41 C ATOM 544 CG GLN A 32 7.272 -0.012 3.993 1.00 71.03 C ATOM 545 CD GLN A 32 8.627 -0.577 4.421 1.00 64.44 C ATOM 546 OE1 GLN A 32 9.104 -1.581 3.892 1.00 14.23 O ATOM 547 NE2 GLN A 32 9.264 0.074 5.380 1.00 74.22 N ATOM 0 H GLN A 32 4.709 -1.164 3.136 1.00 55.33 H new ATOM 0 HA GLN A 32 5.616 1.489 2.272 1.00 22.51 H new ATOM 0 HB2 GLN A 32 6.947 -1.262 2.259 1.00 11.41 H new ATOM 0 HB3 GLN A 32 7.740 0.258 1.899 1.00 11.41 H new ATOM 0 HG2 GLN A 32 7.244 1.052 4.229 1.00 71.03 H new ATOM 0 HG3 GLN A 32 6.490 -0.490 4.583 1.00 71.03 H new ATOM 0 HE21 GLN A 32 8.844 0.903 5.800 1.00 74.22 H new ATOM 0 HE22 GLN A 32 10.176 -0.253 5.700 1.00 74.22 H new ATOM 556 N VAL A 33 4.930 1.329 -0.091 1.00 3.41 N ATOM 557 CA VAL A 33 4.734 1.367 -1.545 1.00 50.35 C ATOM 558 C VAL A 33 6.093 1.212 -2.247 1.00 4.23 C ATOM 559 O VAL A 33 6.987 2.057 -2.096 1.00 72.35 O ATOM 560 CB VAL A 33 4.037 2.701 -2.017 1.00 51.03 C ATOM 561 CG1 VAL A 33 3.801 2.698 -3.547 1.00 24.02 C ATOM 562 CG2 VAL A 33 2.714 2.939 -1.246 1.00 64.12 C ATOM 0 H VAL A 33 4.749 2.222 0.367 1.00 3.41 H new ATOM 0 HA VAL A 33 4.074 0.542 -1.814 1.00 50.35 H new ATOM 0 HB VAL A 33 4.709 3.528 -1.789 1.00 51.03 H new ATOM 0 HG11 VAL A 33 3.319 3.630 -3.843 1.00 24.02 H new ATOM 0 HG12 VAL A 33 4.757 2.604 -4.062 1.00 24.02 H new ATOM 0 HG13 VAL A 33 3.160 1.858 -3.815 1.00 24.02 H new ATOM 0 HG21 VAL A 33 2.254 3.865 -1.590 1.00 64.12 H new ATOM 0 HG22 VAL A 33 2.033 2.107 -1.426 1.00 64.12 H new ATOM 0 HG23 VAL A 33 2.923 3.013 -0.179 1.00 64.12 H new ATOM 572 N MET A 34 6.229 0.105 -2.979 1.00 45.23 N ATOM 573 CA MET A 34 7.456 -0.270 -3.689 1.00 31.11 C ATOM 574 C MET A 34 7.635 0.536 -4.983 1.00 23.42 C ATOM 575 O MET A 34 6.666 0.956 -5.616 1.00 64.21 O ATOM 576 CB MET A 34 7.420 -1.788 -4.016 1.00 40.45 C ATOM 577 CG MET A 34 7.303 -2.737 -2.803 1.00 25.44 C ATOM 578 SD MET A 34 8.849 -2.947 -1.880 1.00 71.33 S ATOM 579 CE MET A 34 8.860 -1.544 -0.763 1.00 22.55 C ATOM 0 H MET A 34 5.474 -0.571 -3.098 1.00 45.23 H new ATOM 0 HA MET A 34 8.303 -0.046 -3.040 1.00 31.11 H new ATOM 0 HB2 MET A 34 6.578 -1.976 -4.683 1.00 40.45 H new ATOM 0 HB3 MET A 34 8.326 -2.043 -4.566 1.00 40.45 H new ATOM 0 HG2 MET A 34 6.538 -2.354 -2.128 1.00 25.44 H new ATOM 0 HG3 MET A 34 6.963 -3.713 -3.150 1.00 25.44 H new ATOM 0 HE1 MET A 34 9.265 -1.850 0.202 1.00 22.55 H new ATOM 0 HE2 MET A 34 9.479 -0.751 -1.181 1.00 22.55 H new ATOM 0 HE3 MET A 34 7.842 -1.177 -0.629 1.00 22.55 H new ATOM 589 N TRP A 35 8.905 0.724 -5.347 1.00 52.21 N ATOM 590 CA TRP A 35 9.355 1.327 -6.622 1.00 35.01 C ATOM 591 C TRP A 35 9.013 0.425 -7.830 1.00 2.41 C ATOM 592 O TRP A 35 8.972 0.894 -8.974 1.00 1.30 O ATOM 593 CB TRP A 35 10.887 1.587 -6.536 1.00 44.41 C ATOM 594 CG TRP A 35 11.677 0.413 -5.965 1.00 22.41 C ATOM 595 CD1 TRP A 35 12.155 -0.685 -6.630 1.00 10.04 C ATOM 596 CD2 TRP A 35 12.035 0.218 -4.582 1.00 12.34 C ATOM 597 NE1 TRP A 35 12.805 -1.518 -5.754 1.00 44.24 N ATOM 598 CE2 TRP A 35 12.751 -0.984 -4.497 1.00 3.43 C ATOM 599 CE3 TRP A 35 11.834 0.963 -3.412 1.00 44.03 C ATOM 600 CZ2 TRP A 35 13.262 -1.465 -3.290 1.00 51.54 C ATOM 601 CZ3 TRP A 35 12.337 0.489 -2.219 1.00 55.31 C ATOM 602 CH2 TRP A 35 13.046 -0.714 -2.164 1.00 42.01 C ATOM 0 H TRP A 35 9.684 0.454 -4.746 1.00 52.21 H new ATOM 0 HA TRP A 35 8.830 2.269 -6.777 1.00 35.01 H new ATOM 0 HB2 TRP A 35 11.264 1.817 -7.533 1.00 44.41 H new ATOM 0 HB3 TRP A 35 11.063 2.467 -5.918 1.00 44.41 H new ATOM 0 HD1 TRP A 35 12.038 -0.868 -7.688 1.00 10.04 H new ATOM 0 HE1 TRP A 35 13.258 -2.398 -6.002 1.00 44.24 H new ATOM 0 HE3 TRP A 35 11.292 1.897 -3.445 1.00 44.03 H new ATOM 0 HZ2 TRP A 35 13.808 -2.396 -3.245 1.00 51.54 H new ATOM 0 HZ3 TRP A 35 12.181 1.056 -1.313 1.00 55.31 H new ATOM 0 HH2 TRP A 35 13.431 -1.059 -1.216 1.00 42.01 H new ATOM 613 N LYS A 36 8.798 -0.875 -7.557 1.00 22.23 N ATOM 614 CA LYS A 36 8.390 -1.858 -8.571 1.00 40.31 C ATOM 615 C LYS A 36 6.941 -1.593 -9.014 1.00 12.44 C ATOM 616 O LYS A 36 6.028 -1.675 -8.200 1.00 24.41 O ATOM 617 CB LYS A 36 8.480 -3.295 -7.995 1.00 21.23 C ATOM 618 CG LYS A 36 9.900 -3.759 -7.595 1.00 12.23 C ATOM 619 CD LYS A 36 9.863 -5.052 -6.740 1.00 20.30 C ATOM 620 CE LYS A 36 9.301 -4.797 -5.327 1.00 63.23 C ATOM 621 NZ LYS A 36 8.870 -6.049 -4.646 1.00 12.21 N ATOM 0 H LYS A 36 8.903 -1.272 -6.623 1.00 22.23 H new ATOM 0 HA LYS A 36 9.060 -1.763 -9.425 1.00 40.31 H new ATOM 0 HB2 LYS A 36 7.835 -3.359 -7.119 1.00 21.23 H new ATOM 0 HB3 LYS A 36 8.083 -3.991 -8.734 1.00 21.23 H new ATOM 0 HG2 LYS A 36 10.492 -3.934 -8.493 1.00 12.23 H new ATOM 0 HG3 LYS A 36 10.397 -2.967 -7.035 1.00 12.23 H new ATOM 0 HD2 LYS A 36 9.252 -5.801 -7.243 1.00 20.30 H new ATOM 0 HD3 LYS A 36 10.870 -5.463 -6.661 1.00 20.30 H new ATOM 0 HE2 LYS A 36 10.061 -4.302 -4.722 1.00 63.23 H new ATOM 0 HE3 LYS A 36 8.454 -4.115 -5.395 1.00 63.23 H new ATOM 0 HZ1 LYS A 36 7.844 -6.019 -4.481 1.00 12.21 H new ATOM 0 HZ2 LYS A 36 9.100 -6.867 -5.245 1.00 12.21 H new ATOM 0 HZ3 LYS A 36 9.365 -6.137 -3.735 1.00 12.21 H new ATOM 635 N TYR A 37 6.763 -1.252 -10.288 1.00 55.55 N ATOM 636 CA TYR A 37 5.443 -1.180 -10.946 1.00 14.54 C ATOM 637 C TYR A 37 5.294 -2.380 -11.890 1.00 51.30 C ATOM 638 O TYR A 37 6.305 -2.954 -12.336 1.00 13.42 O ATOM 639 CB TYR A 37 5.261 0.170 -11.700 1.00 64.23 C ATOM 640 CG TYR A 37 6.461 0.583 -12.559 1.00 14.00 C ATOM 641 CD1 TYR A 37 7.554 1.238 -11.981 1.00 23.34 C ATOM 642 CD2 TYR A 37 6.520 0.309 -13.928 1.00 40.41 C ATOM 643 CE1 TYR A 37 8.650 1.595 -12.727 1.00 13.12 C ATOM 644 CE2 TYR A 37 7.619 0.673 -14.677 1.00 14.32 C ATOM 645 CZ TYR A 37 8.678 1.315 -14.068 1.00 65.31 C ATOM 646 OH TYR A 37 9.786 1.667 -14.802 1.00 73.22 O ATOM 0 H TYR A 37 7.537 -1.013 -10.908 1.00 55.55 H new ATOM 0 HA TYR A 37 4.658 -1.222 -10.191 1.00 14.54 H new ATOM 0 HB2 TYR A 37 4.380 0.100 -12.338 1.00 64.23 H new ATOM 0 HB3 TYR A 37 5.064 0.956 -10.971 1.00 64.23 H new ATOM 0 HD1 TYR A 37 7.535 1.468 -10.926 1.00 23.34 H new ATOM 0 HD2 TYR A 37 5.693 -0.195 -14.406 1.00 40.41 H new ATOM 0 HE1 TYR A 37 9.486 2.094 -12.259 1.00 13.12 H new ATOM 0 HE2 TYR A 37 7.651 0.457 -15.735 1.00 14.32 H new ATOM 0 HH TYR A 37 10.580 1.642 -14.228 1.00 73.22 H new ATOM 656 N LEU A 38 4.033 -2.733 -12.190 1.00 63.33 N ATOM 657 CA LEU A 38 3.679 -3.971 -12.920 1.00 23.54 C ATOM 658 C LEU A 38 4.305 -4.035 -14.334 1.00 5.42 C ATOM 659 O LEU A 38 4.574 -5.127 -14.846 1.00 15.11 O ATOM 660 CB LEU A 38 2.133 -4.120 -12.994 1.00 50.04 C ATOM 661 CG LEU A 38 1.598 -5.429 -13.672 1.00 11.11 C ATOM 662 CD1 LEU A 38 2.098 -6.701 -12.945 1.00 13.11 C ATOM 663 CD2 LEU A 38 0.061 -5.411 -13.779 1.00 43.42 C ATOM 0 H LEU A 38 3.224 -2.168 -11.934 1.00 63.33 H new ATOM 0 HA LEU A 38 4.098 -4.807 -12.360 1.00 23.54 H new ATOM 0 HB2 LEU A 38 1.735 -4.071 -11.981 1.00 50.04 H new ATOM 0 HB3 LEU A 38 1.731 -3.264 -13.536 1.00 50.04 H new ATOM 0 HG LEU A 38 2.003 -5.459 -14.683 1.00 11.11 H new ATOM 0 HD11 LEU A 38 1.705 -7.585 -13.447 1.00 13.11 H new ATOM 0 HD12 LEU A 38 3.188 -6.727 -12.965 1.00 13.11 H new ATOM 0 HD13 LEU A 38 1.755 -6.688 -11.911 1.00 13.11 H new ATOM 0 HD21 LEU A 38 -0.282 -6.331 -14.253 1.00 43.42 H new ATOM 0 HD22 LEU A 38 -0.372 -5.333 -12.782 1.00 43.42 H new ATOM 0 HD23 LEU A 38 -0.252 -4.556 -14.378 1.00 43.42 H new ATOM 675 N GLU A 39 4.595 -2.857 -14.919 1.00 21.43 N ATOM 676 CA GLU A 39 5.098 -2.734 -16.311 1.00 32.11 C ATOM 677 C GLU A 39 6.604 -3.071 -16.444 1.00 22.33 C ATOM 678 O GLU A 39 7.219 -2.778 -17.478 1.00 75.20 O ATOM 679 CB GLU A 39 4.804 -1.312 -16.835 1.00 41.52 C ATOM 680 CG GLU A 39 3.305 -0.942 -16.839 1.00 33.25 C ATOM 681 CD GLU A 39 3.048 0.525 -17.200 1.00 70.12 C ATOM 682 OE1 GLU A 39 3.413 1.405 -16.392 1.00 42.25 O ATOM 683 OE2 GLU A 39 2.492 0.809 -18.285 1.00 22.53 O ATOM 0 H GLU A 39 4.489 -1.961 -14.444 1.00 21.43 H new ATOM 0 HA GLU A 39 4.572 -3.471 -16.918 1.00 32.11 H new ATOM 0 HB2 GLU A 39 5.344 -0.591 -16.222 1.00 41.52 H new ATOM 0 HB3 GLU A 39 5.193 -1.222 -17.849 1.00 41.52 H new ATOM 0 HG2 GLU A 39 2.781 -1.582 -17.549 1.00 33.25 H new ATOM 0 HG3 GLU A 39 2.884 -1.147 -15.855 1.00 33.25 H new ATOM 690 N GLN A 40 7.191 -3.689 -15.403 1.00 51.52 N ATOM 691 CA GLN A 40 8.541 -4.285 -15.462 1.00 24.11 C ATOM 692 C GLN A 40 8.442 -5.817 -15.579 1.00 31.10 C ATOM 693 O GLN A 40 7.574 -6.443 -14.970 1.00 35.01 O ATOM 694 CB GLN A 40 9.373 -3.883 -14.211 1.00 74.40 C ATOM 695 CG GLN A 40 9.809 -2.404 -14.222 1.00 43.01 C ATOM 696 CD GLN A 40 10.742 -2.058 -15.400 1.00 53.24 C ATOM 697 OE1 GLN A 40 11.549 -2.878 -15.839 1.00 21.42 O ATOM 698 NE2 GLN A 40 10.616 -0.861 -15.950 1.00 10.05 N ATOM 0 H GLN A 40 6.742 -3.790 -14.493 1.00 51.52 H new ATOM 0 HA GLN A 40 9.051 -3.902 -16.346 1.00 24.11 H new ATOM 0 HB2 GLN A 40 8.784 -4.075 -13.314 1.00 74.40 H new ATOM 0 HB3 GLN A 40 10.259 -4.516 -14.153 1.00 74.40 H new ATOM 0 HG2 GLN A 40 8.923 -1.770 -14.269 1.00 43.01 H new ATOM 0 HG3 GLN A 40 10.316 -2.174 -13.285 1.00 43.01 H new ATOM 0 HE21 GLN A 40 9.942 -0.195 -15.573 1.00 10.05 H new ATOM 0 HE22 GLN A 40 11.193 -0.605 -16.751 1.00 10.05 H new ATOM 707 N ALA A 41 9.354 -6.394 -16.382 1.00 33.01 N ATOM 708 CA ALA A 41 9.485 -7.855 -16.568 1.00 63.22 C ATOM 709 C ALA A 41 10.190 -8.503 -15.356 1.00 23.51 C ATOM 710 O ALA A 41 10.148 -9.722 -15.175 1.00 4.11 O ATOM 711 CB ALA A 41 10.254 -8.137 -17.872 1.00 3.33 C ATOM 0 H ALA A 41 10.028 -5.856 -16.926 1.00 33.01 H new ATOM 0 HA ALA A 41 8.491 -8.297 -16.641 1.00 63.22 H new ATOM 0 HB1 ALA A 41 10.352 -9.214 -18.011 1.00 3.33 H new ATOM 0 HB2 ALA A 41 9.710 -7.710 -18.715 1.00 3.33 H new ATOM 0 HB3 ALA A 41 11.245 -7.687 -17.814 1.00 3.33 H new ATOM 717 N SER A 42 10.852 -7.661 -14.537 1.00 71.14 N ATOM 718 CA SER A 42 11.531 -8.084 -13.299 1.00 3.42 C ATOM 719 C SER A 42 10.553 -8.175 -12.099 1.00 72.02 C ATOM 720 O SER A 42 10.974 -8.502 -10.983 1.00 54.53 O ATOM 721 CB SER A 42 12.670 -7.086 -12.988 1.00 43.13 C ATOM 722 OG SER A 42 13.582 -6.981 -14.074 1.00 21.42 O ATOM 0 H SER A 42 10.930 -6.660 -14.719 1.00 71.14 H new ATOM 0 HA SER A 42 11.937 -9.084 -13.454 1.00 3.42 H new ATOM 0 HB2 SER A 42 12.247 -6.105 -12.771 1.00 43.13 H new ATOM 0 HB3 SER A 42 13.203 -7.408 -12.094 1.00 43.13 H new ATOM 0 HG SER A 42 14.289 -6.341 -13.847 1.00 21.42 H new ATOM 728 N PHE A 43 9.260 -7.884 -12.343 1.00 21.44 N ATOM 729 CA PHE A 43 8.213 -7.886 -11.301 1.00 50.22 C ATOM 730 C PHE A 43 8.043 -9.316 -10.703 1.00 31.52 C ATOM 731 O PHE A 43 7.896 -10.275 -11.468 1.00 64.10 O ATOM 732 CB PHE A 43 6.878 -7.360 -11.913 1.00 71.32 C ATOM 733 CG PHE A 43 5.899 -6.829 -10.880 1.00 24.23 C ATOM 734 CD1 PHE A 43 6.090 -5.565 -10.325 1.00 3.32 C ATOM 735 CD2 PHE A 43 4.816 -7.587 -10.440 1.00 41.35 C ATOM 736 CE1 PHE A 43 5.230 -5.073 -9.375 1.00 11.43 C ATOM 737 CE2 PHE A 43 3.956 -7.088 -9.487 1.00 44.23 C ATOM 738 CZ PHE A 43 4.167 -5.834 -8.952 1.00 51.34 C ATOM 0 H PHE A 43 8.911 -7.640 -13.270 1.00 21.44 H new ATOM 0 HA PHE A 43 8.505 -7.225 -10.485 1.00 50.22 H new ATOM 0 HB2 PHE A 43 7.103 -6.568 -12.627 1.00 71.32 H new ATOM 0 HB3 PHE A 43 6.402 -8.166 -12.471 1.00 71.32 H new ATOM 0 HD1 PHE A 43 6.927 -4.964 -10.647 1.00 3.32 H new ATOM 0 HD2 PHE A 43 4.650 -8.573 -10.849 1.00 41.35 H new ATOM 0 HE1 PHE A 43 5.389 -4.088 -8.960 1.00 11.43 H new ATOM 0 HE2 PHE A 43 3.115 -7.680 -9.158 1.00 44.23 H new ATOM 0 HZ PHE A 43 3.495 -5.450 -8.199 1.00 51.34 H new ATOM 748 N PRO A 44 8.035 -9.480 -9.329 1.00 43.22 N ATOM 749 CA PRO A 44 8.115 -10.819 -8.660 1.00 61.31 C ATOM 750 C PRO A 44 6.844 -11.684 -8.842 1.00 32.42 C ATOM 751 O PRO A 44 6.843 -12.879 -8.518 1.00 33.25 O ATOM 752 CB PRO A 44 8.330 -10.456 -7.169 1.00 32.32 C ATOM 753 CG PRO A 44 7.664 -9.124 -7.016 1.00 52.14 C ATOM 754 CD PRO A 44 7.932 -8.386 -8.315 1.00 0.32 C ATOM 0 HA PRO A 44 8.908 -11.432 -9.089 1.00 61.31 H new ATOM 0 HB2 PRO A 44 7.886 -11.202 -6.509 1.00 32.32 H new ATOM 0 HB3 PRO A 44 9.390 -10.402 -6.921 1.00 32.32 H new ATOM 0 HG2 PRO A 44 6.594 -9.238 -6.843 1.00 52.14 H new ATOM 0 HG3 PRO A 44 8.069 -8.578 -6.164 1.00 52.14 H new ATOM 0 HD2 PRO A 44 7.126 -7.692 -8.555 1.00 0.32 H new ATOM 0 HD3 PRO A 44 8.851 -7.802 -8.262 1.00 0.32 H new ATOM 762 N MET A 45 5.773 -11.058 -9.352 1.00 4.14 N ATOM 763 CA MET A 45 4.460 -11.697 -9.557 1.00 2.53 C ATOM 764 C MET A 45 4.005 -11.511 -11.012 1.00 75.23 C ATOM 765 O MET A 45 4.577 -10.708 -11.765 1.00 33.32 O ATOM 766 CB MET A 45 3.416 -11.067 -8.586 1.00 12.22 C ATOM 767 CG MET A 45 3.641 -11.380 -7.100 1.00 55.00 C ATOM 768 SD MET A 45 2.588 -10.404 -5.998 1.00 45.42 S ATOM 769 CE MET A 45 3.198 -8.741 -6.290 1.00 15.41 C ATOM 0 H MET A 45 5.793 -10.079 -9.639 1.00 4.14 H new ATOM 0 HA MET A 45 4.544 -12.764 -9.351 1.00 2.53 H new ATOM 0 HB2 MET A 45 3.425 -9.985 -8.719 1.00 12.22 H new ATOM 0 HB3 MET A 45 2.423 -11.415 -8.869 1.00 12.22 H new ATOM 0 HG2 MET A 45 3.454 -12.440 -6.926 1.00 55.00 H new ATOM 0 HG3 MET A 45 4.686 -11.196 -6.851 1.00 55.00 H new ATOM 0 HE1 MET A 45 3.024 -8.129 -5.405 1.00 15.41 H new ATOM 0 HE2 MET A 45 4.267 -8.777 -6.501 1.00 15.41 H new ATOM 0 HE3 MET A 45 2.674 -8.306 -7.141 1.00 15.41 H new ATOM 779 N ASN A 46 2.975 -12.278 -11.393 1.00 52.12 N ATOM 780 CA ASN A 46 2.241 -12.079 -12.659 1.00 22.04 C ATOM 781 C ASN A 46 1.234 -10.918 -12.492 1.00 12.44 C ATOM 782 O ASN A 46 1.085 -10.375 -11.392 1.00 31.41 O ATOM 783 CB ASN A 46 1.506 -13.386 -13.065 1.00 73.23 C ATOM 784 CG ASN A 46 2.448 -14.544 -13.404 1.00 53.43 C ATOM 785 OD1 ASN A 46 3.552 -14.345 -13.918 1.00 73.43 O ATOM 786 ND2 ASN A 46 2.026 -15.770 -13.117 1.00 23.20 N ATOM 0 H ASN A 46 2.623 -13.056 -10.835 1.00 52.12 H new ATOM 0 HA ASN A 46 2.947 -11.826 -13.450 1.00 22.04 H new ATOM 0 HB2 ASN A 46 0.849 -13.691 -12.250 1.00 73.23 H new ATOM 0 HB3 ASN A 46 0.871 -13.182 -13.927 1.00 73.23 H new ATOM 0 HD21 ASN A 46 2.619 -16.574 -13.321 1.00 23.20 H new ATOM 0 HD22 ASN A 46 1.109 -15.907 -12.692 1.00 23.20 H new ATOM 793 N GLU A 47 0.537 -10.558 -13.583 1.00 25.50 N ATOM 794 CA GLU A 47 -0.463 -9.460 -13.588 1.00 52.25 C ATOM 795 C GLU A 47 -1.694 -9.810 -12.733 1.00 43.43 C ATOM 796 O GLU A 47 -2.220 -8.957 -12.001 1.00 42.11 O ATOM 797 CB GLU A 47 -0.869 -9.131 -15.044 1.00 60.40 C ATOM 798 CG GLU A 47 0.305 -8.654 -15.921 1.00 51.41 C ATOM 799 CD GLU A 47 -0.107 -8.373 -17.367 1.00 50.41 C ATOM 800 OE1 GLU A 47 -0.891 -7.426 -17.594 1.00 33.44 O ATOM 801 OE2 GLU A 47 0.340 -9.097 -18.281 1.00 11.42 O ATOM 0 H GLU A 47 0.646 -11.015 -14.488 1.00 25.50 H new ATOM 0 HA GLU A 47 -0.007 -8.577 -13.140 1.00 52.25 H new ATOM 0 HB2 GLU A 47 -1.313 -10.017 -15.497 1.00 60.40 H new ATOM 0 HB3 GLU A 47 -1.639 -8.360 -15.032 1.00 60.40 H new ATOM 0 HG2 GLU A 47 0.731 -7.749 -15.488 1.00 51.41 H new ATOM 0 HG3 GLU A 47 1.089 -9.411 -15.913 1.00 51.41 H new ATOM 808 N THR A 48 -2.131 -11.079 -12.837 1.00 23.14 N ATOM 809 CA THR A 48 -3.201 -11.636 -12.004 1.00 5.22 C ATOM 810 C THR A 48 -2.762 -11.637 -10.526 1.00 21.41 C ATOM 811 O THR A 48 -3.454 -11.089 -9.674 1.00 53.34 O ATOM 812 CB THR A 48 -3.553 -13.095 -12.461 1.00 32.13 C ATOM 813 OG1 THR A 48 -3.890 -13.106 -13.862 1.00 70.25 O ATOM 814 CG2 THR A 48 -4.714 -13.715 -11.657 1.00 23.53 C ATOM 0 H THR A 48 -1.747 -11.746 -13.506 1.00 23.14 H new ATOM 0 HA THR A 48 -4.091 -11.016 -12.116 1.00 5.22 H new ATOM 0 HB THR A 48 -2.666 -13.701 -12.275 1.00 32.13 H new ATOM 0 HG1 THR A 48 -4.107 -14.021 -14.139 1.00 70.25 H new ATOM 0 HG21 THR A 48 -4.910 -14.724 -12.020 1.00 23.53 H new ATOM 0 HG22 THR A 48 -4.445 -13.755 -10.601 1.00 23.53 H new ATOM 0 HG23 THR A 48 -5.609 -13.105 -11.781 1.00 23.53 H new ATOM 822 N GLU A 49 -1.553 -12.190 -10.271 1.00 61.15 N ATOM 823 CA GLU A 49 -1.011 -12.380 -8.907 1.00 62.43 C ATOM 824 C GLU A 49 -0.747 -11.033 -8.207 1.00 52.11 C ATOM 825 O GLU A 49 -0.788 -10.950 -6.979 1.00 24.23 O ATOM 826 CB GLU A 49 0.295 -13.216 -8.953 1.00 61.12 C ATOM 827 CG GLU A 49 0.193 -14.528 -9.750 1.00 70.01 C ATOM 828 CD GLU A 49 -0.901 -15.490 -9.254 1.00 24.10 C ATOM 829 OE1 GLU A 49 -0.620 -16.302 -8.346 1.00 54.04 O ATOM 830 OE2 GLU A 49 -2.027 -15.470 -9.809 1.00 30.14 O ATOM 0 H GLU A 49 -0.926 -12.517 -11.006 1.00 61.15 H new ATOM 0 HA GLU A 49 -1.762 -12.919 -8.330 1.00 62.43 H new ATOM 0 HB2 GLU A 49 1.086 -12.604 -9.387 1.00 61.12 H new ATOM 0 HB3 GLU A 49 0.596 -13.450 -7.932 1.00 61.12 H new ATOM 0 HG2 GLU A 49 0.003 -14.289 -10.796 1.00 70.01 H new ATOM 0 HG3 GLU A 49 1.155 -15.039 -9.710 1.00 70.01 H new ATOM 837 N TYR A 50 -0.466 -9.995 -9.014 1.00 31.42 N ATOM 838 CA TYR A 50 -0.294 -8.617 -8.533 1.00 24.01 C ATOM 839 C TYR A 50 -1.634 -8.051 -8.034 1.00 12.44 C ATOM 840 O TYR A 50 -1.710 -7.499 -6.935 1.00 21.23 O ATOM 841 CB TYR A 50 0.292 -7.711 -9.663 1.00 4.21 C ATOM 842 CG TYR A 50 0.190 -6.198 -9.392 1.00 44.45 C ATOM 843 CD1 TYR A 50 0.804 -5.621 -8.279 1.00 40.32 C ATOM 844 CD2 TYR A 50 -0.558 -5.359 -10.227 1.00 20.52 C ATOM 845 CE1 TYR A 50 0.668 -4.276 -8.009 1.00 13.44 C ATOM 846 CE2 TYR A 50 -0.679 -4.013 -9.965 1.00 72.53 C ATOM 847 CZ TYR A 50 -0.072 -3.480 -8.853 1.00 11.34 C ATOM 848 OH TYR A 50 -0.249 -2.150 -8.561 1.00 64.21 O ATOM 0 H TYR A 50 -0.352 -10.091 -10.023 1.00 31.42 H new ATOM 0 HA TYR A 50 0.409 -8.629 -7.700 1.00 24.01 H new ATOM 0 HB2 TYR A 50 1.340 -7.970 -9.811 1.00 4.21 H new ATOM 0 HB3 TYR A 50 -0.226 -7.935 -10.595 1.00 4.21 H new ATOM 0 HD1 TYR A 50 1.395 -6.238 -7.619 1.00 40.32 H new ATOM 0 HD2 TYR A 50 -1.050 -5.776 -11.094 1.00 20.52 H new ATOM 0 HE1 TYR A 50 1.141 -3.848 -7.137 1.00 13.44 H new ATOM 0 HE2 TYR A 50 -1.248 -3.379 -10.629 1.00 72.53 H new ATOM 0 HH TYR A 50 0.338 -1.897 -7.818 1.00 64.21 H new ATOM 858 N GLN A 51 -2.684 -8.197 -8.861 1.00 63.52 N ATOM 859 CA GLN A 51 -4.015 -7.617 -8.577 1.00 51.21 C ATOM 860 C GLN A 51 -4.685 -8.378 -7.400 1.00 64.11 C ATOM 861 O GLN A 51 -5.435 -7.791 -6.606 1.00 4.31 O ATOM 862 CB GLN A 51 -4.885 -7.620 -9.885 1.00 20.51 C ATOM 863 CG GLN A 51 -5.808 -6.383 -10.068 1.00 63.34 C ATOM 864 CD GLN A 51 -7.011 -6.340 -9.118 1.00 75.41 C ATOM 865 OE1 GLN A 51 -7.562 -7.369 -8.739 1.00 14.42 O ATOM 866 NE2 GLN A 51 -7.432 -5.153 -8.725 1.00 72.15 N ATOM 0 H GLN A 51 -2.639 -8.715 -9.738 1.00 63.52 H new ATOM 0 HA GLN A 51 -3.915 -6.578 -8.263 1.00 51.21 H new ATOM 0 HB2 GLN A 51 -4.219 -7.687 -10.745 1.00 20.51 H new ATOM 0 HB3 GLN A 51 -5.503 -8.518 -9.890 1.00 20.51 H new ATOM 0 HG2 GLN A 51 -5.216 -5.479 -9.925 1.00 63.34 H new ATOM 0 HG3 GLN A 51 -6.172 -6.366 -11.095 1.00 63.34 H new ATOM 0 HE21 GLN A 51 -6.959 -4.310 -9.052 1.00 72.15 H new ATOM 0 HE22 GLN A 51 -8.230 -5.078 -8.094 1.00 72.15 H new ATOM 875 N GLU A 52 -4.358 -9.681 -7.282 1.00 2.42 N ATOM 876 CA GLU A 52 -4.752 -10.516 -6.134 1.00 65.25 C ATOM 877 C GLU A 52 -4.001 -10.080 -4.862 1.00 71.34 C ATOM 878 O GLU A 52 -4.580 -10.049 -3.779 1.00 1.32 O ATOM 879 CB GLU A 52 -4.483 -12.016 -6.430 1.00 1.44 C ATOM 880 CG GLU A 52 -5.330 -12.604 -7.579 1.00 32.01 C ATOM 881 CD GLU A 52 -6.846 -12.489 -7.338 1.00 12.24 C ATOM 882 OE1 GLU A 52 -7.415 -13.355 -6.638 1.00 2.32 O ATOM 883 OE2 GLU A 52 -7.479 -11.535 -7.843 1.00 31.11 O ATOM 0 H GLU A 52 -3.812 -10.183 -7.983 1.00 2.42 H new ATOM 0 HA GLU A 52 -5.821 -10.382 -5.968 1.00 65.25 H new ATOM 0 HB2 GLU A 52 -3.428 -12.142 -6.672 1.00 1.44 H new ATOM 0 HB3 GLU A 52 -4.673 -12.592 -5.524 1.00 1.44 H new ATOM 0 HG2 GLU A 52 -5.077 -12.091 -8.507 1.00 32.01 H new ATOM 0 HG3 GLU A 52 -5.069 -13.654 -7.713 1.00 32.01 H new ATOM 890 N HIS A 53 -2.705 -9.740 -5.028 1.00 15.44 N ATOM 891 CA HIS A 53 -1.837 -9.226 -3.942 1.00 21.45 C ATOM 892 C HIS A 53 -2.364 -7.884 -3.401 1.00 31.40 C ATOM 893 O HIS A 53 -2.256 -7.603 -2.213 1.00 63.44 O ATOM 894 CB HIS A 53 -0.377 -9.071 -4.456 1.00 64.41 C ATOM 895 CG HIS A 53 0.590 -8.448 -3.479 1.00 11.24 C ATOM 896 ND1 HIS A 53 1.155 -9.142 -2.434 1.00 52.01 N ATOM 897 CD2 HIS A 53 1.078 -7.186 -3.390 1.00 75.34 C ATOM 898 CE1 HIS A 53 1.959 -8.344 -1.761 1.00 65.20 C ATOM 899 NE2 HIS A 53 1.929 -7.150 -2.320 1.00 43.12 N ATOM 0 H HIS A 53 -2.226 -9.814 -5.926 1.00 15.44 H new ATOM 0 HA HIS A 53 -1.849 -9.945 -3.123 1.00 21.45 H new ATOM 0 HB2 HIS A 53 -0.002 -10.055 -4.735 1.00 64.41 H new ATOM 0 HB3 HIS A 53 -0.391 -8.466 -5.363 1.00 64.41 H new ATOM 0 HD2 HIS A 53 0.839 -6.361 -4.044 1.00 75.34 H new ATOM 0 HE1 HIS A 53 2.544 -8.621 -0.897 1.00 65.20 H new ATOM 0 HE2 HIS A 53 2.454 -6.334 -2.006 1.00 43.12 H new ATOM 908 N LEU A 54 -2.945 -7.082 -4.298 1.00 33.44 N ATOM 909 CA LEU A 54 -3.534 -5.772 -3.955 1.00 0.34 C ATOM 910 C LEU A 54 -4.804 -5.956 -3.125 1.00 11.04 C ATOM 911 O LEU A 54 -5.075 -5.182 -2.215 1.00 24.02 O ATOM 912 CB LEU A 54 -3.892 -4.972 -5.228 1.00 42.52 C ATOM 913 CG LEU A 54 -2.712 -4.497 -6.111 1.00 35.45 C ATOM 914 CD1 LEU A 54 -3.252 -3.866 -7.403 1.00 40.05 C ATOM 915 CD2 LEU A 54 -1.783 -3.524 -5.347 1.00 64.25 C ATOM 0 H LEU A 54 -3.023 -7.318 -5.287 1.00 33.44 H new ATOM 0 HA LEU A 54 -2.789 -5.222 -3.380 1.00 0.34 H new ATOM 0 HB2 LEU A 54 -4.549 -5.588 -5.842 1.00 42.52 H new ATOM 0 HB3 LEU A 54 -4.466 -4.095 -4.928 1.00 42.52 H new ATOM 0 HG LEU A 54 -2.105 -5.363 -6.374 1.00 35.45 H new ATOM 0 HD11 LEU A 54 -2.418 -3.533 -8.021 1.00 40.05 H new ATOM 0 HD12 LEU A 54 -3.838 -4.604 -7.951 1.00 40.05 H new ATOM 0 HD13 LEU A 54 -3.883 -3.013 -7.155 1.00 40.05 H new ATOM 0 HD21 LEU A 54 -0.967 -3.213 -5.999 1.00 64.25 H new ATOM 0 HD22 LEU A 54 -2.352 -2.648 -5.034 1.00 64.25 H new ATOM 0 HD23 LEU A 54 -1.375 -4.025 -4.469 1.00 64.25 H new ATOM 927 N ASP A 55 -5.594 -6.974 -3.497 1.00 71.31 N ATOM 928 CA ASP A 55 -6.852 -7.305 -2.813 1.00 24.10 C ATOM 929 C ASP A 55 -6.556 -7.950 -1.455 1.00 24.13 C ATOM 930 O ASP A 55 -7.316 -7.794 -0.502 1.00 43.22 O ATOM 931 CB ASP A 55 -7.714 -8.223 -3.714 1.00 54.44 C ATOM 932 CG ASP A 55 -9.157 -8.365 -3.205 1.00 25.44 C ATOM 933 OD1 ASP A 55 -9.897 -7.356 -3.263 1.00 74.11 O ATOM 934 OD2 ASP A 55 -9.552 -9.461 -2.744 1.00 65.45 O ATOM 0 H ASP A 55 -5.378 -7.591 -4.280 1.00 71.31 H new ATOM 0 HA ASP A 55 -7.421 -6.394 -2.627 1.00 24.10 H new ATOM 0 HB2 ASP A 55 -7.728 -7.822 -4.727 1.00 54.44 H new ATOM 0 HB3 ASP A 55 -7.253 -9.209 -3.768 1.00 54.44 H new ATOM 939 N SER A 56 -5.415 -8.652 -1.400 1.00 3.31 N ATOM 940 CA SER A 56 -4.845 -9.213 -0.171 1.00 62.10 C ATOM 941 C SER A 56 -4.444 -8.090 0.803 1.00 32.02 C ATOM 942 O SER A 56 -4.742 -8.153 1.998 1.00 61.01 O ATOM 943 CB SER A 56 -3.625 -10.085 -0.544 1.00 71.34 C ATOM 944 OG SER A 56 -4.010 -11.208 -1.323 1.00 5.42 O ATOM 0 H SER A 56 -4.852 -8.849 -2.228 1.00 3.31 H new ATOM 0 HA SER A 56 -5.590 -9.830 0.332 1.00 62.10 H new ATOM 0 HB2 SER A 56 -2.903 -9.485 -1.099 1.00 71.34 H new ATOM 0 HB3 SER A 56 -3.127 -10.424 0.364 1.00 71.34 H new ATOM 0 HG SER A 56 -4.225 -10.916 -2.234 1.00 5.42 H new ATOM 950 N VAL A 57 -3.797 -7.045 0.250 1.00 70.43 N ATOM 951 CA VAL A 57 -3.376 -5.864 1.010 1.00 65.15 C ATOM 952 C VAL A 57 -4.604 -5.057 1.483 1.00 43.45 C ATOM 953 O VAL A 57 -4.706 -4.714 2.661 1.00 43.02 O ATOM 954 CB VAL A 57 -2.382 -4.965 0.169 1.00 33.03 C ATOM 955 CG1 VAL A 57 -2.181 -3.566 0.794 1.00 73.41 C ATOM 956 CG2 VAL A 57 -1.017 -5.683 -0.012 1.00 62.01 C ATOM 0 H VAL A 57 -3.554 -7.002 -0.740 1.00 70.43 H new ATOM 0 HA VAL A 57 -2.836 -6.203 1.894 1.00 65.15 H new ATOM 0 HB VAL A 57 -2.837 -4.815 -0.810 1.00 33.03 H new ATOM 0 HG11 VAL A 57 -1.491 -2.989 0.179 1.00 73.41 H new ATOM 0 HG12 VAL A 57 -3.139 -3.050 0.846 1.00 73.41 H new ATOM 0 HG13 VAL A 57 -1.771 -3.672 1.798 1.00 73.41 H new ATOM 0 HG21 VAL A 57 -0.347 -5.049 -0.593 1.00 62.01 H new ATOM 0 HG22 VAL A 57 -0.576 -5.878 0.966 1.00 62.01 H new ATOM 0 HG23 VAL A 57 -1.169 -6.627 -0.536 1.00 62.01 H new ATOM 966 N ALA A 58 -5.549 -4.824 0.561 1.00 11.10 N ATOM 967 CA ALA A 58 -6.783 -4.054 0.820 1.00 34.31 C ATOM 968 C ALA A 58 -7.696 -4.767 1.843 1.00 23.05 C ATOM 969 O ALA A 58 -8.483 -4.120 2.548 1.00 21.25 O ATOM 970 CB ALA A 58 -7.519 -3.799 -0.502 1.00 72.14 C ATOM 0 H ALA A 58 -5.481 -5.167 -0.397 1.00 11.10 H new ATOM 0 HA ALA A 58 -6.507 -3.096 1.260 1.00 34.31 H new ATOM 0 HB1 ALA A 58 -8.429 -3.231 -0.308 1.00 72.14 H new ATOM 0 HB2 ALA A 58 -6.874 -3.233 -1.174 1.00 72.14 H new ATOM 0 HB3 ALA A 58 -7.778 -4.752 -0.964 1.00 72.14 H new ATOM 976 N ASN A 59 -7.560 -6.107 1.908 1.00 24.31 N ATOM 977 CA ASN A 59 -8.234 -6.960 2.907 1.00 31.34 C ATOM 978 C ASN A 59 -7.713 -6.632 4.322 1.00 54.24 C ATOM 979 O ASN A 59 -8.497 -6.468 5.257 1.00 72.31 O ATOM 980 CB ASN A 59 -7.994 -8.455 2.559 1.00 12.01 C ATOM 981 CG ASN A 59 -8.640 -9.450 3.529 1.00 73.41 C ATOM 982 OD1 ASN A 59 -9.698 -9.191 4.104 1.00 34.03 O ATOM 983 ND2 ASN A 59 -8.007 -10.598 3.713 1.00 61.32 N ATOM 0 H ASN A 59 -6.972 -6.633 1.261 1.00 24.31 H new ATOM 0 HA ASN A 59 -9.306 -6.766 2.889 1.00 31.34 H new ATOM 0 HB2 ASN A 59 -8.376 -8.646 1.556 1.00 12.01 H new ATOM 0 HB3 ASN A 59 -6.920 -8.640 2.532 1.00 12.01 H new ATOM 0 HD21 ASN A 59 -8.394 -11.298 4.346 1.00 61.32 H new ATOM 0 HD22 ASN A 59 -7.132 -10.783 3.222 1.00 61.32 H new ATOM 990 N TYR A 60 -6.374 -6.516 4.449 1.00 64.12 N ATOM 991 CA TYR A 60 -5.722 -6.095 5.712 1.00 71.00 C ATOM 992 C TYR A 60 -6.022 -4.621 6.040 1.00 34.23 C ATOM 993 O TYR A 60 -6.107 -4.252 7.210 1.00 12.34 O ATOM 994 CB TYR A 60 -4.190 -6.319 5.653 1.00 1.43 C ATOM 995 CG TYR A 60 -3.766 -7.781 5.797 1.00 45.14 C ATOM 996 CD1 TYR A 60 -3.871 -8.421 7.030 1.00 23.42 C ATOM 997 CD2 TYR A 60 -3.268 -8.519 4.719 1.00 3.53 C ATOM 998 CE1 TYR A 60 -3.493 -9.733 7.189 1.00 54.20 C ATOM 999 CE2 TYR A 60 -2.889 -9.838 4.873 1.00 0.21 C ATOM 1000 CZ TYR A 60 -3.007 -10.444 6.109 1.00 34.41 C ATOM 1001 OH TYR A 60 -2.631 -11.762 6.268 1.00 1.11 O ATOM 0 H TYR A 60 -5.720 -6.708 3.691 1.00 64.12 H new ATOM 0 HA TYR A 60 -6.137 -6.715 6.506 1.00 71.00 H new ATOM 0 HB2 TYR A 60 -3.814 -5.935 4.705 1.00 1.43 H new ATOM 0 HB3 TYR A 60 -3.718 -5.736 6.443 1.00 1.43 H new ATOM 0 HD1 TYR A 60 -4.257 -7.875 7.878 1.00 23.42 H new ATOM 0 HD2 TYR A 60 -3.178 -8.050 3.750 1.00 3.53 H new ATOM 0 HE1 TYR A 60 -3.576 -10.207 8.156 1.00 54.20 H new ATOM 0 HE2 TYR A 60 -2.502 -10.393 4.031 1.00 0.21 H new ATOM 0 HH TYR A 60 -2.313 -12.117 5.412 1.00 1.11 H new ATOM 1011 N LEU A 61 -6.183 -3.793 5.000 1.00 23.20 N ATOM 1012 CA LEU A 61 -6.504 -2.365 5.163 1.00 41.31 C ATOM 1013 C LEU A 61 -7.922 -2.179 5.752 1.00 42.22 C ATOM 1014 O LEU A 61 -8.174 -1.216 6.471 1.00 24.15 O ATOM 1015 CB LEU A 61 -6.343 -1.604 3.814 1.00 63.14 C ATOM 1016 CG LEU A 61 -4.895 -1.554 3.216 1.00 0.41 C ATOM 1017 CD1 LEU A 61 -4.844 -0.708 1.922 1.00 35.40 C ATOM 1018 CD2 LEU A 61 -3.869 -1.054 4.252 1.00 2.40 C ATOM 0 H LEU A 61 -6.096 -4.089 4.028 1.00 23.20 H new ATOM 0 HA LEU A 61 -5.796 -1.936 5.872 1.00 41.31 H new ATOM 0 HB2 LEU A 61 -7.001 -2.067 3.079 1.00 63.14 H new ATOM 0 HB3 LEU A 61 -6.691 -0.581 3.954 1.00 63.14 H new ATOM 0 HG LEU A 61 -4.621 -2.575 2.952 1.00 0.41 H new ATOM 0 HD11 LEU A 61 -3.825 -0.695 1.535 1.00 35.40 H new ATOM 0 HD12 LEU A 61 -5.510 -1.143 1.176 1.00 35.40 H new ATOM 0 HD13 LEU A 61 -5.161 0.311 2.141 1.00 35.40 H new ATOM 0 HD21 LEU A 61 -2.877 -1.033 3.801 1.00 2.40 H new ATOM 0 HD22 LEU A 61 -4.141 -0.050 4.578 1.00 2.40 H new ATOM 0 HD23 LEU A 61 -3.863 -1.725 5.111 1.00 2.40 H new ATOM 1030 N HIS A 62 -8.836 -3.120 5.455 1.00 32.35 N ATOM 1031 CA HIS A 62 -10.183 -3.134 6.061 1.00 43.02 C ATOM 1032 C HIS A 62 -10.127 -3.732 7.485 1.00 4.31 C ATOM 1033 O HIS A 62 -10.752 -3.204 8.408 1.00 14.51 O ATOM 1034 CB HIS A 62 -11.177 -3.933 5.182 1.00 4.41 C ATOM 1035 CG HIS A 62 -12.597 -3.919 5.710 1.00 13.05 C ATOM 1036 ND1 HIS A 62 -13.127 -4.927 6.487 1.00 30.13 N ATOM 1037 CD2 HIS A 62 -13.584 -2.996 5.584 1.00 30.32 C ATOM 1038 CE1 HIS A 62 -14.369 -4.622 6.816 1.00 74.03 C ATOM 1039 NE2 HIS A 62 -14.670 -3.457 6.283 1.00 22.41 N ATOM 0 H HIS A 62 -8.668 -3.882 4.798 1.00 32.35 H new ATOM 0 HA HIS A 62 -10.536 -2.105 6.126 1.00 43.02 H new ATOM 0 HB2 HIS A 62 -11.169 -3.521 4.173 1.00 4.41 H new ATOM 0 HB3 HIS A 62 -10.835 -4.965 5.108 1.00 4.41 H new ATOM 0 HD2 HIS A 62 -13.525 -2.068 5.034 1.00 30.32 H new ATOM 0 HE1 HIS A 62 -15.028 -5.227 7.421 1.00 74.03 H new ATOM 0 HE2 HIS A 62 -15.565 -2.976 6.375 1.00 22.41 H new ATOM 1048 N ALA A 63 -9.351 -4.824 7.638 1.00 0.22 N ATOM 1049 CA ALA A 63 -9.231 -5.582 8.908 1.00 40.04 C ATOM 1050 C ALA A 63 -8.685 -4.705 10.050 1.00 11.42 C ATOM 1051 O ALA A 63 -9.197 -4.729 11.176 1.00 13.32 O ATOM 1052 CB ALA A 63 -8.324 -6.808 8.694 1.00 43.35 C ATOM 0 H ALA A 63 -8.785 -5.210 6.882 1.00 0.22 H new ATOM 0 HA ALA A 63 -10.228 -5.911 9.201 1.00 40.04 H new ATOM 0 HB1 ALA A 63 -8.237 -7.364 9.628 1.00 43.35 H new ATOM 0 HB2 ALA A 63 -8.757 -7.451 7.928 1.00 43.35 H new ATOM 0 HB3 ALA A 63 -7.335 -6.478 8.375 1.00 43.35 H new ATOM 1058 N LEU A 64 -7.642 -3.934 9.721 1.00 0.43 N ATOM 1059 CA LEU A 64 -6.943 -3.052 10.670 1.00 3.21 C ATOM 1060 C LEU A 64 -7.624 -1.664 10.747 1.00 64.30 C ATOM 1061 O LEU A 64 -7.497 -0.957 11.751 1.00 32.51 O ATOM 1062 CB LEU A 64 -5.447 -2.924 10.229 1.00 73.00 C ATOM 1063 CG LEU A 64 -4.663 -4.282 10.099 1.00 44.34 C ATOM 1064 CD1 LEU A 64 -3.231 -4.090 9.543 1.00 64.24 C ATOM 1065 CD2 LEU A 64 -4.645 -5.046 11.437 1.00 12.12 C ATOM 0 H LEU A 64 -7.253 -3.903 8.778 1.00 0.43 H new ATOM 0 HA LEU A 64 -6.990 -3.484 11.669 1.00 3.21 H new ATOM 0 HB2 LEU A 64 -5.412 -2.410 9.268 1.00 73.00 H new ATOM 0 HB3 LEU A 64 -4.927 -2.291 10.948 1.00 73.00 H new ATOM 0 HG LEU A 64 -5.203 -4.887 9.370 1.00 44.34 H new ATOM 0 HD11 LEU A 64 -2.735 -5.058 9.474 1.00 64.24 H new ATOM 0 HD12 LEU A 64 -3.283 -3.637 8.553 1.00 64.24 H new ATOM 0 HD13 LEU A 64 -2.666 -3.440 10.210 1.00 64.24 H new ATOM 0 HD21 LEU A 64 -4.096 -5.980 11.315 1.00 12.12 H new ATOM 0 HD22 LEU A 64 -4.159 -4.436 12.198 1.00 12.12 H new ATOM 0 HD23 LEU A 64 -5.668 -5.264 11.746 1.00 12.12 H new ATOM 1077 N GLY A 65 -8.387 -1.312 9.689 1.00 54.12 N ATOM 1078 CA GLY A 65 -8.919 0.050 9.512 1.00 52.01 C ATOM 1079 C GLY A 65 -7.878 0.993 8.904 1.00 51.34 C ATOM 1080 O GLY A 65 -8.040 2.223 8.925 1.00 72.13 O ATOM 0 H GLY A 65 -8.647 -1.958 8.944 1.00 54.12 H new ATOM 0 HA2 GLY A 65 -9.798 0.016 8.869 1.00 52.01 H new ATOM 0 HA3 GLY A 65 -9.245 0.441 10.476 1.00 52.01 H new ATOM 1084 N GLY A 66 -6.817 0.386 8.329 1.00 61.41 N ATOM 1085 CA GLY A 66 -5.692 1.113 7.751 1.00 54.40 C ATOM 1086 C GLY A 66 -5.961 1.665 6.357 1.00 55.22 C ATOM 1087 O GLY A 66 -5.111 2.362 5.818 1.00 11.33 O ATOM 0 H GLY A 66 -6.727 -0.628 8.258 1.00 61.41 H new ATOM 0 HA2 GLY A 66 -5.428 1.938 8.412 1.00 54.40 H new ATOM 0 HA3 GLY A 66 -4.828 0.450 7.707 1.00 54.40 H new ATOM 1091 N ALA A 67 -7.152 1.371 5.786 1.00 14.53 N ATOM 1092 CA ALA A 67 -7.558 1.861 4.450 1.00 64.13 C ATOM 1093 C ALA A 67 -7.609 3.393 4.415 1.00 14.12 C ATOM 1094 O ALA A 67 -7.053 4.027 3.514 1.00 32.14 O ATOM 1095 CB ALA A 67 -8.921 1.266 4.056 1.00 32.12 C ATOM 0 H ALA A 67 -7.857 0.788 6.238 1.00 14.53 H new ATOM 0 HA ALA A 67 -6.811 1.535 3.727 1.00 64.13 H new ATOM 0 HB1 ALA A 67 -9.208 1.635 3.071 1.00 32.12 H new ATOM 0 HB2 ALA A 67 -8.849 0.179 4.030 1.00 32.12 H new ATOM 0 HB3 ALA A 67 -9.673 1.563 4.788 1.00 32.12 H new ATOM 1101 N VAL A 68 -8.251 3.961 5.448 1.00 14.14 N ATOM 1102 CA VAL A 68 -8.399 5.416 5.626 1.00 13.44 C ATOM 1103 C VAL A 68 -7.017 6.061 5.898 1.00 45.22 C ATOM 1104 O VAL A 68 -6.755 7.175 5.449 1.00 23.03 O ATOM 1105 CB VAL A 68 -9.404 5.729 6.804 1.00 50.33 C ATOM 1106 CG1 VAL A 68 -9.647 7.250 6.973 1.00 11.50 C ATOM 1107 CG2 VAL A 68 -10.743 4.978 6.599 1.00 41.12 C ATOM 0 H VAL A 68 -8.687 3.417 6.192 1.00 14.14 H new ATOM 0 HA VAL A 68 -8.807 5.843 4.710 1.00 13.44 H new ATOM 0 HB VAL A 68 -8.943 5.372 7.725 1.00 50.33 H new ATOM 0 HG11 VAL A 68 -10.344 7.418 7.794 1.00 11.50 H new ATOM 0 HG12 VAL A 68 -8.702 7.747 7.192 1.00 11.50 H new ATOM 0 HG13 VAL A 68 -10.066 7.656 6.052 1.00 11.50 H new ATOM 0 HG21 VAL A 68 -11.419 5.209 7.422 1.00 41.12 H new ATOM 0 HG22 VAL A 68 -11.196 5.292 5.659 1.00 41.12 H new ATOM 0 HG23 VAL A 68 -10.557 3.904 6.572 1.00 41.12 H new ATOM 1117 N GLN A 69 -6.125 5.308 6.592 1.00 45.51 N ATOM 1118 CA GLN A 69 -4.760 5.778 6.941 1.00 32.13 C ATOM 1119 C GLN A 69 -3.862 5.872 5.681 1.00 1.11 C ATOM 1120 O GLN A 69 -3.007 6.759 5.585 1.00 13.53 O ATOM 1121 CB GLN A 69 -4.098 4.846 8.006 1.00 5.42 C ATOM 1122 CG GLN A 69 -4.949 4.529 9.269 1.00 73.43 C ATOM 1123 CD GLN A 69 -5.408 5.740 10.112 1.00 45.42 C ATOM 1124 OE1 GLN A 69 -5.673 6.834 9.609 1.00 25.34 O ATOM 1125 NE2 GLN A 69 -5.505 5.550 11.427 1.00 31.23 N ATOM 0 H GLN A 69 -6.330 4.365 6.923 1.00 45.51 H new ATOM 0 HA GLN A 69 -4.858 6.775 7.370 1.00 32.13 H new ATOM 0 HB2 GLN A 69 -3.839 3.904 7.523 1.00 5.42 H new ATOM 0 HB3 GLN A 69 -3.164 5.305 8.329 1.00 5.42 H new ATOM 0 HG2 GLN A 69 -5.835 3.977 8.954 1.00 73.43 H new ATOM 0 HG3 GLN A 69 -4.371 3.865 9.912 1.00 73.43 H new ATOM 0 HE21 GLN A 69 -5.282 4.639 11.828 1.00 31.23 H new ATOM 0 HE22 GLN A 69 -5.802 6.315 12.032 1.00 31.23 H new ATOM 1134 N VAL A 70 -4.072 4.931 4.731 1.00 34.25 N ATOM 1135 CA VAL A 70 -3.379 4.923 3.423 1.00 24.15 C ATOM 1136 C VAL A 70 -3.852 6.099 2.566 1.00 33.42 C ATOM 1137 O VAL A 70 -3.043 6.841 2.020 1.00 51.53 O ATOM 1138 CB VAL A 70 -3.613 3.561 2.654 1.00 40.02 C ATOM 1139 CG1 VAL A 70 -3.054 3.590 1.211 1.00 34.20 C ATOM 1140 CG2 VAL A 70 -2.993 2.392 3.437 1.00 72.20 C ATOM 0 H VAL A 70 -4.726 4.157 4.850 1.00 34.25 H new ATOM 0 HA VAL A 70 -2.310 5.024 3.611 1.00 24.15 H new ATOM 0 HB VAL A 70 -4.691 3.420 2.579 1.00 40.02 H new ATOM 0 HG11 VAL A 70 -3.241 2.631 0.729 1.00 34.20 H new ATOM 0 HG12 VAL A 70 -3.546 4.382 0.646 1.00 34.20 H new ATOM 0 HG13 VAL A 70 -1.981 3.778 1.240 1.00 34.20 H new ATOM 0 HG21 VAL A 70 -3.162 1.461 2.896 1.00 72.20 H new ATOM 0 HG22 VAL A 70 -1.921 2.557 3.549 1.00 72.20 H new ATOM 0 HG23 VAL A 70 -3.455 2.328 4.422 1.00 72.20 H new ATOM 1150 N LYS A 71 -5.184 6.265 2.495 1.00 22.32 N ATOM 1151 CA LYS A 71 -5.834 7.316 1.694 1.00 45.33 C ATOM 1152 C LYS A 71 -5.420 8.728 2.165 1.00 43.23 C ATOM 1153 O LYS A 71 -5.077 9.578 1.346 1.00 73.05 O ATOM 1154 CB LYS A 71 -7.379 7.141 1.754 1.00 74.31 C ATOM 1155 CG LYS A 71 -7.896 5.867 1.048 1.00 54.24 C ATOM 1156 CD LYS A 71 -9.425 5.631 1.191 1.00 61.43 C ATOM 1157 CE LYS A 71 -10.298 6.577 0.339 1.00 1.22 C ATOM 1158 NZ LYS A 71 -10.251 8.004 0.785 1.00 4.13 N ATOM 0 H LYS A 71 -5.844 5.670 2.995 1.00 22.32 H new ATOM 0 HA LYS A 71 -5.504 7.214 0.660 1.00 45.33 H new ATOM 0 HB2 LYS A 71 -7.691 7.117 2.798 1.00 74.31 H new ATOM 0 HB3 LYS A 71 -7.851 8.012 1.300 1.00 74.31 H new ATOM 0 HG2 LYS A 71 -7.647 5.927 -0.012 1.00 54.24 H new ATOM 0 HG3 LYS A 71 -7.368 5.003 1.451 1.00 54.24 H new ATOM 0 HD2 LYS A 71 -9.649 4.601 0.913 1.00 61.43 H new ATOM 0 HD3 LYS A 71 -9.702 5.746 2.239 1.00 61.43 H new ATOM 0 HE2 LYS A 71 -9.973 6.519 -0.700 1.00 1.22 H new ATOM 0 HE3 LYS A 71 -11.331 6.230 0.370 1.00 1.22 H new ATOM 0 HZ1 LYS A 71 -11.196 8.429 0.690 1.00 4.13 H new ATOM 0 HZ2 LYS A 71 -9.950 8.047 1.780 1.00 4.13 H new ATOM 0 HZ3 LYS A 71 -9.574 8.530 0.196 1.00 4.13 H new ATOM 1172 N THR A 72 -5.413 8.933 3.499 1.00 43.24 N ATOM 1173 CA THR A 72 -5.090 10.237 4.120 1.00 23.12 C ATOM 1174 C THR A 72 -3.598 10.588 3.937 1.00 43.11 C ATOM 1175 O THR A 72 -3.256 11.741 3.618 1.00 62.24 O ATOM 1176 CB THR A 72 -5.482 10.233 5.640 1.00 32.54 C ATOM 1177 OG1 THR A 72 -6.893 9.966 5.767 1.00 62.13 O ATOM 1178 CG2 THR A 72 -5.156 11.566 6.346 1.00 34.42 C ATOM 0 H THR A 72 -5.631 8.201 4.176 1.00 43.24 H new ATOM 0 HA THR A 72 -5.675 11.006 3.616 1.00 23.12 H new ATOM 0 HB THR A 72 -4.891 9.455 6.123 1.00 32.54 H new ATOM 0 HG1 THR A 72 -7.051 9.002 5.694 1.00 62.13 H new ATOM 0 HG21 THR A 72 -5.449 11.504 7.394 1.00 34.42 H new ATOM 0 HG22 THR A 72 -4.086 11.761 6.279 1.00 34.42 H new ATOM 0 HG23 THR A 72 -5.703 12.376 5.864 1.00 34.42 H new ATOM 1186 N PHE A 73 -2.720 9.573 4.114 1.00 2.13 N ATOM 1187 CA PHE A 73 -1.263 9.742 3.938 1.00 2.13 C ATOM 1188 C PHE A 73 -0.950 10.085 2.470 1.00 41.31 C ATOM 1189 O PHE A 73 -0.269 11.066 2.201 1.00 72.04 O ATOM 1190 CB PHE A 73 -0.479 8.470 4.365 1.00 51.02 C ATOM 1191 CG PHE A 73 1.052 8.636 4.344 1.00 12.22 C ATOM 1192 CD1 PHE A 73 1.720 9.252 5.405 1.00 3.53 C ATOM 1193 CD2 PHE A 73 1.821 8.189 3.267 1.00 22.51 C ATOM 1194 CE1 PHE A 73 3.096 9.408 5.391 1.00 73.42 C ATOM 1195 CE2 PHE A 73 3.197 8.346 3.258 1.00 73.25 C ATOM 1196 CZ PHE A 73 3.831 8.956 4.318 1.00 11.33 C ATOM 0 H PHE A 73 -2.998 8.628 4.379 1.00 2.13 H new ATOM 0 HA PHE A 73 -0.942 10.560 4.583 1.00 2.13 H new ATOM 0 HB2 PHE A 73 -0.789 8.186 5.371 1.00 51.02 H new ATOM 0 HB3 PHE A 73 -0.753 7.648 3.703 1.00 51.02 H new ATOM 0 HD1 PHE A 73 1.154 9.613 6.251 1.00 3.53 H new ATOM 0 HD2 PHE A 73 1.335 7.713 2.428 1.00 22.51 H new ATOM 0 HE1 PHE A 73 3.593 9.885 6.223 1.00 73.42 H new ATOM 0 HE2 PHE A 73 3.774 7.989 2.418 1.00 73.25 H new ATOM 0 HZ PHE A 73 4.904 9.080 4.307 1.00 11.33 H new ATOM 1206 N ILE A 74 -1.501 9.271 1.539 1.00 53.33 N ATOM 1207 CA ILE A 74 -1.261 9.399 0.085 1.00 51.42 C ATOM 1208 C ILE A 74 -1.787 10.748 -0.465 1.00 2.25 C ATOM 1209 O ILE A 74 -1.144 11.348 -1.331 1.00 43.21 O ATOM 1210 CB ILE A 74 -1.843 8.143 -0.712 1.00 72.14 C ATOM 1211 CG1 ILE A 74 -0.893 6.905 -0.510 1.00 22.44 C ATOM 1212 CG2 ILE A 74 -2.080 8.433 -2.219 1.00 74.24 C ATOM 1213 CD1 ILE A 74 -1.226 5.669 -1.334 1.00 34.21 C ATOM 0 H ILE A 74 -2.128 8.503 1.779 1.00 53.33 H new ATOM 0 HA ILE A 74 -0.183 9.401 -0.075 1.00 51.42 H new ATOM 0 HB ILE A 74 -2.826 7.918 -0.298 1.00 72.14 H new ATOM 0 HG12 ILE A 74 0.126 7.211 -0.746 1.00 22.44 H new ATOM 0 HG13 ILE A 74 -0.907 6.629 0.544 1.00 22.44 H new ATOM 0 HG21 ILE A 74 -2.476 7.540 -2.703 1.00 74.24 H new ATOM 0 HG22 ILE A 74 -2.794 9.250 -2.324 1.00 74.24 H new ATOM 0 HG23 ILE A 74 -1.137 8.713 -2.688 1.00 74.24 H new ATOM 0 HD11 ILE A 74 -0.507 4.880 -1.114 1.00 34.21 H new ATOM 0 HD12 ILE A 74 -2.230 5.325 -1.084 1.00 34.21 H new ATOM 0 HD13 ILE A 74 -1.181 5.916 -2.395 1.00 34.21 H new ATOM 1225 N THR A 75 -2.916 11.245 0.079 1.00 32.04 N ATOM 1226 CA THR A 75 -3.466 12.562 -0.314 1.00 13.15 C ATOM 1227 C THR A 75 -2.457 13.692 -0.003 1.00 52.02 C ATOM 1228 O THR A 75 -2.057 14.456 -0.891 1.00 22.02 O ATOM 1229 CB THR A 75 -4.830 12.861 0.404 1.00 34.34 C ATOM 1230 OG1 THR A 75 -5.773 11.831 0.085 1.00 0.12 O ATOM 1231 CG2 THR A 75 -5.429 14.227 0.005 1.00 1.21 C ATOM 0 H THR A 75 -3.464 10.758 0.789 1.00 32.04 H new ATOM 0 HA THR A 75 -3.647 12.525 -1.388 1.00 13.15 H new ATOM 0 HB THR A 75 -4.627 12.889 1.475 1.00 34.34 H new ATOM 0 HG1 THR A 75 -5.736 11.130 0.769 1.00 0.12 H new ATOM 0 HG21 THR A 75 -6.371 14.379 0.532 1.00 1.21 H new ATOM 0 HG22 THR A 75 -4.732 15.022 0.271 1.00 1.21 H new ATOM 0 HG23 THR A 75 -5.608 14.246 -1.070 1.00 1.21 H new ATOM 1239 N GLN A 76 -2.006 13.726 1.261 1.00 35.21 N ATOM 1240 CA GLN A 76 -1.202 14.834 1.800 1.00 24.21 C ATOM 1241 C GLN A 76 0.284 14.743 1.386 1.00 54.34 C ATOM 1242 O GLN A 76 0.942 15.784 1.208 1.00 55.31 O ATOM 1243 CB GLN A 76 -1.339 14.875 3.344 1.00 63.13 C ATOM 1244 CG GLN A 76 -2.783 15.085 3.856 1.00 11.41 C ATOM 1245 CD GLN A 76 -2.877 15.218 5.381 1.00 65.50 C ATOM 1246 OE1 GLN A 76 -1.956 15.712 6.034 1.00 24.24 O ATOM 1247 NE2 GLN A 76 -3.979 14.774 5.961 1.00 11.23 N ATOM 0 H GLN A 76 -2.189 12.986 1.938 1.00 35.21 H new ATOM 0 HA GLN A 76 -1.587 15.760 1.374 1.00 24.21 H new ATOM 0 HB2 GLN A 76 -0.954 13.942 3.755 1.00 63.13 H new ATOM 0 HB3 GLN A 76 -0.710 15.677 3.730 1.00 63.13 H new ATOM 0 HG2 GLN A 76 -3.197 15.982 3.395 1.00 11.41 H new ATOM 0 HG3 GLN A 76 -3.400 14.246 3.533 1.00 11.41 H new ATOM 0 HE21 GLN A 76 -4.726 14.370 5.396 1.00 11.23 H new ATOM 0 HE22 GLN A 76 -4.083 14.836 6.974 1.00 11.23 H new ATOM 1256 N THR A 77 0.810 13.507 1.230 1.00 2.32 N ATOM 1257 CA THR A 77 2.235 13.288 0.905 1.00 53.05 C ATOM 1258 C THR A 77 2.512 13.728 -0.531 1.00 70.22 C ATOM 1259 O THR A 77 1.649 13.623 -1.401 1.00 73.30 O ATOM 1260 CB THR A 77 2.714 11.798 1.112 1.00 72.33 C ATOM 1261 OG1 THR A 77 4.152 11.732 1.069 1.00 23.33 O ATOM 1262 CG2 THR A 77 2.157 10.814 0.062 1.00 15.40 C ATOM 0 H THR A 77 0.268 12.648 1.324 1.00 2.32 H new ATOM 0 HA THR A 77 2.807 13.894 1.608 1.00 53.05 H new ATOM 0 HB THR A 77 2.327 11.497 2.086 1.00 72.33 H new ATOM 0 HG1 THR A 77 4.441 10.805 1.200 1.00 23.33 H new ATOM 0 HG21 THR A 77 2.530 9.811 0.270 1.00 15.40 H new ATOM 0 HG22 THR A 77 1.068 10.813 0.106 1.00 15.40 H new ATOM 0 HG23 THR A 77 2.479 11.122 -0.933 1.00 15.40 H new ATOM 1270 N LYS A 78 3.708 14.256 -0.752 1.00 74.10 N ATOM 1271 CA LYS A 78 4.184 14.676 -2.077 1.00 60.03 C ATOM 1272 C LYS A 78 5.278 13.702 -2.568 1.00 5.01 C ATOM 1273 O LYS A 78 5.788 13.854 -3.679 1.00 64.30 O ATOM 1274 CB LYS A 78 4.696 16.151 -1.995 1.00 22.11 C ATOM 1275 CG LYS A 78 3.668 17.139 -1.371 1.00 30.50 C ATOM 1276 CD LYS A 78 4.155 18.618 -1.288 1.00 32.20 C ATOM 1277 CE LYS A 78 3.901 19.442 -2.568 1.00 53.42 C ATOM 1278 NZ LYS A 78 4.583 18.899 -3.778 1.00 11.21 N ATOM 0 H LYS A 78 4.390 14.410 -0.009 1.00 74.10 H new ATOM 0 HA LYS A 78 3.372 14.645 -2.803 1.00 60.03 H new ATOM 0 HB2 LYS A 78 5.613 16.175 -1.406 1.00 22.11 H new ATOM 0 HB3 LYS A 78 4.952 16.493 -2.998 1.00 22.11 H new ATOM 0 HG2 LYS A 78 2.750 17.105 -1.957 1.00 30.50 H new ATOM 0 HG3 LYS A 78 3.418 16.796 -0.367 1.00 30.50 H new ATOM 0 HD2 LYS A 78 3.656 19.106 -0.451 1.00 32.20 H new ATOM 0 HD3 LYS A 78 5.223 18.625 -1.071 1.00 32.20 H new ATOM 0 HE2 LYS A 78 2.828 19.484 -2.755 1.00 53.42 H new ATOM 0 HE3 LYS A 78 4.236 20.466 -2.402 1.00 53.42 H new ATOM 0 HZ1 LYS A 78 4.630 19.636 -4.510 1.00 11.21 H new ATOM 0 HZ2 LYS A 78 5.547 18.598 -3.528 1.00 11.21 H new ATOM 0 HZ3 LYS A 78 4.049 18.084 -4.141 1.00 11.21 H new ATOM 1292 N GLU A 79 5.593 12.678 -1.739 1.00 14.02 N ATOM 1293 CA GLU A 79 6.638 11.672 -2.034 1.00 14.03 C ATOM 1294 C GLU A 79 6.182 10.631 -3.060 1.00 22.42 C ATOM 1295 O GLU A 79 4.992 10.321 -3.181 1.00 52.44 O ATOM 1296 CB GLU A 79 7.113 10.959 -0.729 1.00 43.14 C ATOM 1297 CG GLU A 79 8.042 11.815 0.150 1.00 14.53 C ATOM 1298 CD GLU A 79 9.273 12.327 -0.620 1.00 32.12 C ATOM 1299 OE1 GLU A 79 10.192 11.519 -0.904 1.00 60.52 O ATOM 1300 OE2 GLU A 79 9.321 13.535 -0.954 1.00 43.13 O ATOM 0 H GLU A 79 5.127 12.527 -0.844 1.00 14.02 H new ATOM 0 HA GLU A 79 7.474 12.218 -2.470 1.00 14.03 H new ATOM 0 HB2 GLU A 79 6.238 10.673 -0.145 1.00 43.14 H new ATOM 0 HB3 GLU A 79 7.631 10.039 -0.998 1.00 43.14 H new ATOM 0 HG2 GLU A 79 7.484 12.665 0.543 1.00 14.53 H new ATOM 0 HG3 GLU A 79 8.372 11.226 1.006 1.00 14.53 H new ATOM 1307 N ARG A 80 7.179 10.094 -3.778 1.00 53.11 N ATOM 1308 CA ARG A 80 7.009 9.057 -4.807 1.00 52.53 C ATOM 1309 C ARG A 80 7.876 7.828 -4.452 1.00 40.42 C ATOM 1310 O ARG A 80 8.928 7.986 -3.807 1.00 31.12 O ATOM 1311 CB ARG A 80 7.403 9.606 -6.210 1.00 3.12 C ATOM 1312 CG ARG A 80 6.557 10.805 -6.669 1.00 1.42 C ATOM 1313 CD ARG A 80 6.828 11.222 -8.117 1.00 70.34 C ATOM 1314 NE ARG A 80 5.970 12.344 -8.531 1.00 40.33 N ATOM 1315 CZ ARG A 80 5.922 12.866 -9.765 1.00 61.10 C ATOM 1316 NH1 ARG A 80 6.680 12.377 -10.748 1.00 71.21 N ATOM 1317 NH2 ARG A 80 5.124 13.893 -10.012 1.00 25.04 N ATOM 0 H ARG A 80 8.152 10.376 -3.656 1.00 53.11 H new ATOM 0 HA ARG A 80 5.960 8.761 -4.839 1.00 52.53 H new ATOM 0 HB2 ARG A 80 8.453 9.900 -6.193 1.00 3.12 H new ATOM 0 HB3 ARG A 80 7.308 8.805 -6.943 1.00 3.12 H new ATOM 0 HG2 ARG A 80 5.501 10.557 -6.562 1.00 1.42 H new ATOM 0 HG3 ARG A 80 6.754 11.652 -6.012 1.00 1.42 H new ATOM 0 HD2 ARG A 80 7.875 11.506 -8.224 1.00 70.34 H new ATOM 0 HD3 ARG A 80 6.659 10.372 -8.778 1.00 70.34 H new ATOM 0 HE ARG A 80 5.364 12.757 -7.823 1.00 40.33 H new ATOM 0 HH11 ARG A 80 7.308 11.594 -10.566 1.00 71.21 H new ATOM 0 HH12 ARG A 80 6.631 12.786 -11.681 1.00 71.21 H new ATOM 0 HH21 ARG A 80 4.549 14.284 -9.265 1.00 25.04 H new ATOM 0 HH22 ARG A 80 5.084 14.294 -10.949 1.00 25.04 H new ATOM 1331 N PRO A 81 7.432 6.580 -4.834 1.00 33.13 N ATOM 1332 CA PRO A 81 8.251 5.355 -4.668 1.00 40.45 C ATOM 1333 C PRO A 81 9.518 5.435 -5.543 1.00 71.33 C ATOM 1334 O PRO A 81 9.454 5.610 -6.768 1.00 42.13 O ATOM 1335 CB PRO A 81 7.294 4.213 -5.094 1.00 70.24 C ATOM 1336 CG PRO A 81 6.280 4.867 -5.972 1.00 53.10 C ATOM 1337 CD PRO A 81 6.107 6.263 -5.430 1.00 34.44 C ATOM 0 HA PRO A 81 8.621 5.205 -3.654 1.00 40.45 H new ATOM 0 HB2 PRO A 81 7.830 3.427 -5.627 1.00 70.24 H new ATOM 0 HB3 PRO A 81 6.824 3.748 -4.227 1.00 70.24 H new ATOM 0 HG2 PRO A 81 6.616 4.889 -7.009 1.00 53.10 H new ATOM 0 HG3 PRO A 81 5.337 4.321 -5.954 1.00 53.10 H new ATOM 0 HD2 PRO A 81 5.844 6.968 -6.218 1.00 34.44 H new ATOM 0 HD3 PRO A 81 5.313 6.307 -4.685 1.00 34.44 H new ATOM 1345 N ARG A 82 10.655 5.315 -4.873 1.00 70.33 N ATOM 1346 CA ARG A 82 11.981 5.632 -5.415 1.00 35.11 C ATOM 1347 C ARG A 82 12.883 4.424 -5.177 1.00 74.03 C ATOM 1348 O ARG A 82 12.708 3.725 -4.182 1.00 24.44 O ATOM 1349 CB ARG A 82 12.486 6.900 -4.677 1.00 32.02 C ATOM 1350 CG ARG A 82 13.823 7.507 -5.156 1.00 60.22 C ATOM 1351 CD ARG A 82 14.070 8.898 -4.525 1.00 72.24 C ATOM 1352 NE ARG A 82 12.974 9.834 -4.874 1.00 75.24 N ATOM 1353 CZ ARG A 82 12.193 10.509 -4.006 1.00 71.22 C ATOM 1354 NH1 ARG A 82 12.348 10.386 -2.692 1.00 72.00 N ATOM 1355 NH2 ARG A 82 11.222 11.270 -4.474 1.00 10.23 N ATOM 0 H ARG A 82 10.688 4.985 -3.908 1.00 70.33 H new ATOM 0 HA ARG A 82 11.967 5.836 -6.486 1.00 35.11 H new ATOM 0 HB2 ARG A 82 11.717 7.668 -4.759 1.00 32.02 H new ATOM 0 HB3 ARG A 82 12.584 6.659 -3.618 1.00 32.02 H new ATOM 0 HG2 ARG A 82 14.642 6.837 -4.896 1.00 60.22 H new ATOM 0 HG3 ARG A 82 13.816 7.595 -6.242 1.00 60.22 H new ATOM 0 HD2 ARG A 82 14.143 8.804 -3.442 1.00 72.24 H new ATOM 0 HD3 ARG A 82 15.022 9.298 -4.875 1.00 72.24 H new ATOM 0 HE ARG A 82 12.793 9.982 -5.867 1.00 75.24 H new ATOM 0 HH11 ARG A 82 13.071 9.770 -2.319 1.00 72.00 H new ATOM 0 HH12 ARG A 82 11.744 10.907 -2.056 1.00 72.00 H new ATOM 0 HH21 ARG A 82 11.070 11.342 -5.480 1.00 10.23 H new ATOM 0 HH22 ARG A 82 10.623 11.786 -3.830 1.00 10.23 H new ATOM 1369 N LEU A 83 13.819 4.173 -6.095 1.00 11.33 N ATOM 1370 CA LEU A 83 14.708 2.999 -6.052 1.00 75.41 C ATOM 1371 C LEU A 83 15.639 3.068 -4.814 1.00 3.22 C ATOM 1372 O LEU A 83 16.725 3.657 -4.868 1.00 40.41 O ATOM 1373 CB LEU A 83 15.517 2.913 -7.378 1.00 65.30 C ATOM 1374 CG LEU A 83 16.462 1.678 -7.538 1.00 20.23 C ATOM 1375 CD1 LEU A 83 15.670 0.354 -7.574 1.00 1.15 C ATOM 1376 CD2 LEU A 83 17.371 1.829 -8.780 1.00 71.00 C ATOM 0 H LEU A 83 13.986 4.780 -6.897 1.00 11.33 H new ATOM 0 HA LEU A 83 14.111 2.092 -5.956 1.00 75.41 H new ATOM 0 HB2 LEU A 83 14.812 2.913 -8.209 1.00 65.30 H new ATOM 0 HB3 LEU A 83 16.118 3.817 -7.470 1.00 65.30 H new ATOM 0 HG LEU A 83 17.105 1.642 -6.659 1.00 20.23 H new ATOM 0 HD11 LEU A 83 16.362 -0.481 -7.686 1.00 1.15 H new ATOM 0 HD12 LEU A 83 15.110 0.239 -6.646 1.00 1.15 H new ATOM 0 HD13 LEU A 83 14.978 0.367 -8.416 1.00 1.15 H new ATOM 0 HD21 LEU A 83 18.017 0.956 -8.866 1.00 71.00 H new ATOM 0 HD22 LEU A 83 16.754 1.913 -9.674 1.00 71.00 H new ATOM 0 HD23 LEU A 83 17.983 2.725 -8.676 1.00 71.00 H new ATOM 1388 N GLY A 84 15.160 2.501 -3.692 1.00 72.34 N ATOM 1389 CA GLY A 84 15.882 2.512 -2.409 1.00 0.24 C ATOM 1390 C GLY A 84 15.109 3.221 -1.301 1.00 74.22 C ATOM 1391 O GLY A 84 15.383 3.011 -0.110 1.00 43.22 O ATOM 0 H GLY A 84 14.260 2.022 -3.650 1.00 72.34 H new ATOM 0 HA2 GLY A 84 16.086 1.486 -2.104 1.00 0.24 H new ATOM 0 HA3 GLY A 84 16.846 3.002 -2.544 1.00 0.24 H new ATOM 1395 N LYS A 85 14.134 4.070 -1.688 1.00 1.34 N ATOM 1396 CA LYS A 85 13.246 4.774 -0.744 1.00 21.22 C ATOM 1397 C LYS A 85 11.774 4.439 -1.054 1.00 10.34 C ATOM 1398 O LYS A 85 11.187 4.969 -2.000 1.00 13.41 O ATOM 1399 CB LYS A 85 13.493 6.310 -0.806 1.00 55.31 C ATOM 1400 CG LYS A 85 12.663 7.131 0.213 1.00 34.45 C ATOM 1401 CD LYS A 85 12.980 8.643 0.164 1.00 42.24 C ATOM 1402 CE LYS A 85 12.184 9.453 1.198 1.00 25.51 C ATOM 1403 NZ LYS A 85 10.720 9.394 0.950 1.00 5.32 N ATOM 0 H LYS A 85 13.941 4.286 -2.666 1.00 1.34 H new ATOM 0 HA LYS A 85 13.469 4.439 0.269 1.00 21.22 H new ATOM 0 HB2 LYS A 85 14.552 6.503 -0.634 1.00 55.31 H new ATOM 0 HB3 LYS A 85 13.264 6.663 -1.812 1.00 55.31 H new ATOM 0 HG2 LYS A 85 11.602 6.980 0.015 1.00 34.45 H new ATOM 0 HG3 LYS A 85 12.856 6.756 1.218 1.00 34.45 H new ATOM 0 HD2 LYS A 85 14.046 8.792 0.336 1.00 42.24 H new ATOM 0 HD3 LYS A 85 12.762 9.023 -0.834 1.00 42.24 H new ATOM 0 HE2 LYS A 85 12.397 9.073 2.197 1.00 25.51 H new ATOM 0 HE3 LYS A 85 12.513 10.492 1.175 1.00 25.51 H new ATOM 0 HZ1 LYS A 85 10.213 9.777 1.773 1.00 5.32 H new ATOM 0 HZ2 LYS A 85 10.488 9.958 0.107 1.00 5.32 H new ATOM 0 HZ3 LYS A 85 10.434 8.406 0.796 1.00 5.32 H new ATOM 1417 N ALA A 86 11.195 3.548 -0.241 1.00 44.10 N ATOM 1418 CA ALA A 86 9.776 3.167 -0.320 1.00 40.43 C ATOM 1419 C ALA A 86 8.902 4.203 0.406 1.00 52.23 C ATOM 1420 O ALA A 86 9.341 4.790 1.405 1.00 2.44 O ATOM 1421 CB ALA A 86 9.583 1.780 0.308 1.00 32.42 C ATOM 0 H ALA A 86 11.703 3.064 0.500 1.00 44.10 H new ATOM 0 HA ALA A 86 9.474 3.135 -1.367 1.00 40.43 H new ATOM 0 HB1 ALA A 86 8.532 1.497 0.250 1.00 32.42 H new ATOM 0 HB2 ALA A 86 10.186 1.049 -0.231 1.00 32.42 H new ATOM 0 HB3 ALA A 86 9.894 1.807 1.352 1.00 32.42 H new ATOM 1427 N VAL A 87 7.668 4.426 -0.094 1.00 34.11 N ATOM 1428 CA VAL A 87 6.683 5.293 0.581 1.00 41.53 C ATOM 1429 C VAL A 87 6.072 4.499 1.751 1.00 51.24 C ATOM 1430 O VAL A 87 5.094 3.766 1.580 1.00 53.41 O ATOM 1431 CB VAL A 87 5.561 5.804 -0.416 1.00 2.42 C ATOM 1432 CG1 VAL A 87 4.523 6.722 0.278 1.00 30.11 C ATOM 1433 CG2 VAL A 87 6.190 6.513 -1.633 1.00 31.11 C ATOM 0 H VAL A 87 7.331 4.016 -0.965 1.00 34.11 H new ATOM 0 HA VAL A 87 7.183 6.187 0.955 1.00 41.53 H new ATOM 0 HB VAL A 87 5.023 4.922 -0.764 1.00 2.42 H new ATOM 0 HG11 VAL A 87 3.778 7.044 -0.450 1.00 30.11 H new ATOM 0 HG12 VAL A 87 4.032 6.174 1.082 1.00 30.11 H new ATOM 0 HG13 VAL A 87 5.028 7.596 0.690 1.00 30.11 H new ATOM 0 HG21 VAL A 87 5.401 6.855 -2.303 1.00 31.11 H new ATOM 0 HG22 VAL A 87 6.774 7.369 -1.294 1.00 31.11 H new ATOM 0 HG23 VAL A 87 6.840 5.817 -2.163 1.00 31.11 H new ATOM 1443 N SER A 88 6.711 4.604 2.926 1.00 23.44 N ATOM 1444 CA SER A 88 6.304 3.872 4.128 1.00 41.32 C ATOM 1445 C SER A 88 5.080 4.565 4.742 1.00 22.31 C ATOM 1446 O SER A 88 5.174 5.712 5.194 1.00 3.45 O ATOM 1447 CB SER A 88 7.477 3.814 5.139 1.00 41.30 C ATOM 1448 OG SER A 88 7.170 3.011 6.268 1.00 61.43 O ATOM 0 H SER A 88 7.526 5.201 3.066 1.00 23.44 H new ATOM 0 HA SER A 88 6.038 2.847 3.868 1.00 41.32 H new ATOM 0 HB2 SER A 88 8.363 3.418 4.643 1.00 41.30 H new ATOM 0 HB3 SER A 88 7.721 4.824 5.469 1.00 41.30 H new ATOM 0 HG SER A 88 7.936 3.000 6.879 1.00 61.43 H new ATOM 1454 N ILE A 89 3.928 3.888 4.690 1.00 3.45 N ATOM 1455 CA ILE A 89 2.659 4.398 5.229 1.00 44.12 C ATOM 1456 C ILE A 89 2.388 3.717 6.591 1.00 41.20 C ATOM 1457 O ILE A 89 1.964 2.555 6.613 1.00 15.44 O ATOM 1458 CB ILE A 89 1.465 4.105 4.234 1.00 3.43 C ATOM 1459 CG1 ILE A 89 1.800 4.619 2.795 1.00 5.15 C ATOM 1460 CG2 ILE A 89 0.140 4.709 4.762 1.00 31.14 C ATOM 1461 CD1 ILE A 89 0.766 4.284 1.734 1.00 15.14 C ATOM 0 H ILE A 89 3.848 2.962 4.269 1.00 3.45 H new ATOM 0 HA ILE A 89 2.733 5.478 5.357 1.00 44.12 H new ATOM 0 HB ILE A 89 1.329 3.025 4.174 1.00 3.43 H new ATOM 0 HG12 ILE A 89 1.922 5.701 2.832 1.00 5.15 H new ATOM 0 HG13 ILE A 89 2.759 4.200 2.491 1.00 5.15 H new ATOM 0 HG21 ILE A 89 -0.664 4.493 4.059 1.00 31.14 H new ATOM 0 HG22 ILE A 89 -0.098 4.272 5.731 1.00 31.14 H new ATOM 0 HG23 ILE A 89 0.249 5.788 4.868 1.00 31.14 H new ATOM 0 HD11 ILE A 89 1.089 4.683 0.772 1.00 15.14 H new ATOM 0 HD12 ILE A 89 0.658 3.202 1.660 1.00 15.14 H new ATOM 0 HD13 ILE A 89 -0.192 4.727 2.007 1.00 15.14 H new ATOM 1473 N PRO A 90 2.667 4.392 7.755 1.00 55.24 N ATOM 1474 CA PRO A 90 2.353 3.825 9.085 1.00 13.12 C ATOM 1475 C PRO A 90 0.830 3.798 9.300 1.00 71.22 C ATOM 1476 O PRO A 90 0.189 4.857 9.352 1.00 64.34 O ATOM 1477 CB PRO A 90 3.069 4.798 10.085 1.00 3.52 C ATOM 1478 CG PRO A 90 3.973 5.646 9.229 1.00 12.21 C ATOM 1479 CD PRO A 90 3.293 5.733 7.881 1.00 2.22 C ATOM 0 HA PRO A 90 2.688 2.796 9.212 1.00 13.12 H new ATOM 0 HB2 PRO A 90 2.347 5.412 10.623 1.00 3.52 H new ATOM 0 HB3 PRO A 90 3.638 4.246 10.833 1.00 3.52 H new ATOM 0 HG2 PRO A 90 4.109 6.636 9.664 1.00 12.21 H new ATOM 0 HG3 PRO A 90 4.963 5.198 9.141 1.00 12.21 H new ATOM 0 HD2 PRO A 90 2.552 6.532 7.850 1.00 2.22 H new ATOM 0 HD3 PRO A 90 4.005 5.927 7.078 1.00 2.22 H new ATOM 1487 N LEU A 91 0.250 2.590 9.373 1.00 31.35 N ATOM 1488 CA LEU A 91 -1.181 2.430 9.641 1.00 61.14 C ATOM 1489 C LEU A 91 -1.391 2.641 11.135 1.00 51.24 C ATOM 1490 O LEU A 91 -1.156 1.726 11.930 1.00 62.43 O ATOM 1491 CB LEU A 91 -1.692 1.034 9.203 1.00 11.23 C ATOM 1492 CG LEU A 91 -1.362 0.600 7.745 1.00 40.11 C ATOM 1493 CD1 LEU A 91 -2.015 -0.754 7.424 1.00 33.32 C ATOM 1494 CD2 LEU A 91 -1.765 1.685 6.726 1.00 33.11 C ATOM 0 H LEU A 91 0.753 1.711 9.250 1.00 31.35 H new ATOM 0 HA LEU A 91 -1.750 3.160 9.065 1.00 61.14 H new ATOM 0 HB2 LEU A 91 -1.277 0.290 9.883 1.00 11.23 H new ATOM 0 HB3 LEU A 91 -2.774 1.012 9.329 1.00 11.23 H new ATOM 0 HG LEU A 91 -0.282 0.478 7.664 1.00 40.11 H new ATOM 0 HD11 LEU A 91 -1.773 -1.041 6.401 1.00 33.32 H new ATOM 0 HD12 LEU A 91 -1.639 -1.511 8.112 1.00 33.32 H new ATOM 0 HD13 LEU A 91 -3.096 -0.671 7.532 1.00 33.32 H new ATOM 0 HD21 LEU A 91 -1.520 1.347 5.719 1.00 33.11 H new ATOM 0 HD22 LEU A 91 -2.837 1.870 6.796 1.00 33.11 H new ATOM 0 HD23 LEU A 91 -1.223 2.606 6.942 1.00 33.11 H new ATOM 1506 N ASP A 92 -1.748 3.880 11.506 1.00 74.34 N ATOM 1507 CA ASP A 92 -1.881 4.271 12.913 1.00 11.01 C ATOM 1508 C ASP A 92 -3.011 3.449 13.558 1.00 3.54 C ATOM 1509 O ASP A 92 -4.192 3.676 13.286 1.00 22.42 O ATOM 1510 CB ASP A 92 -2.144 5.801 13.052 1.00 21.34 C ATOM 1511 CG ASP A 92 -1.954 6.327 14.497 1.00 43.42 C ATOM 1512 OD1 ASP A 92 -2.808 6.047 15.371 1.00 13.12 O ATOM 1513 OD2 ASP A 92 -0.933 7.005 14.772 1.00 75.54 O ATOM 0 H ASP A 92 -1.950 4.630 10.845 1.00 74.34 H new ATOM 0 HA ASP A 92 -0.946 4.063 13.433 1.00 11.01 H new ATOM 0 HB2 ASP A 92 -1.471 6.340 12.385 1.00 21.34 H new ATOM 0 HB3 ASP A 92 -3.160 6.019 12.724 1.00 21.34 H new ATOM 1518 N LEU A 93 -2.617 2.427 14.326 1.00 63.12 N ATOM 1519 CA LEU A 93 -3.529 1.583 15.115 1.00 54.13 C ATOM 1520 C LEU A 93 -3.318 1.906 16.607 1.00 11.21 C ATOM 1521 O LEU A 93 -3.420 1.030 17.473 1.00 0.23 O ATOM 1522 CB LEU A 93 -3.263 0.071 14.809 1.00 3.02 C ATOM 1523 CG LEU A 93 -3.296 -0.361 13.301 1.00 43.23 C ATOM 1524 CD1 LEU A 93 -3.136 -1.885 13.150 1.00 34.53 C ATOM 1525 CD2 LEU A 93 -4.566 0.142 12.577 1.00 15.24 C ATOM 0 H LEU A 93 -1.638 2.156 14.420 1.00 63.12 H new ATOM 0 HA LEU A 93 -4.566 1.788 14.850 1.00 54.13 H new ATOM 0 HB2 LEU A 93 -2.287 -0.192 15.217 1.00 3.02 H new ATOM 0 HB3 LEU A 93 -4.003 -0.520 15.348 1.00 3.02 H new ATOM 0 HG LEU A 93 -2.443 0.115 12.818 1.00 43.23 H new ATOM 0 HD11 LEU A 93 -3.163 -2.151 12.093 1.00 34.53 H new ATOM 0 HD12 LEU A 93 -2.182 -2.195 13.578 1.00 34.53 H new ATOM 0 HD13 LEU A 93 -3.949 -2.390 13.672 1.00 34.53 H new ATOM 0 HD21 LEU A 93 -4.544 -0.182 11.536 1.00 15.24 H new ATOM 0 HD22 LEU A 93 -5.450 -0.268 13.066 1.00 15.24 H new ATOM 0 HD23 LEU A 93 -4.601 1.231 12.618 1.00 15.24 H new ATOM 1537 N GLY A 94 -3.023 3.192 16.892 1.00 32.20 N ATOM 1538 CA GLY A 94 -2.804 3.653 18.260 1.00 72.02 C ATOM 1539 C GLY A 94 -4.104 3.733 19.046 1.00 14.11 C ATOM 1540 O GLY A 94 -4.282 3.021 20.044 1.00 60.10 O ATOM 0 H GLY A 94 -2.933 3.922 16.185 1.00 32.20 H new ATOM 0 HA2 GLY A 94 -2.115 2.976 18.765 1.00 72.02 H new ATOM 0 HA3 GLY A 94 -2.330 4.634 18.241 1.00 72.02 H new ATOM 1544 N GLU A 95 -5.023 4.595 18.575 1.00 2.22 N ATOM 1545 CA GLU A 95 -6.332 4.797 19.212 1.00 65.33 C ATOM 1546 C GLU A 95 -7.348 3.764 18.685 1.00 64.14 C ATOM 1547 O GLU A 95 -7.861 2.949 19.443 1.00 2.11 O ATOM 1548 CB GLU A 95 -6.848 6.239 18.943 1.00 35.44 C ATOM 1549 CG GLU A 95 -8.194 6.569 19.623 1.00 53.53 C ATOM 1550 CD GLU A 95 -8.747 7.958 19.267 1.00 24.03 C ATOM 1551 OE1 GLU A 95 -9.281 8.126 18.152 1.00 12.32 O ATOM 1552 OE2 GLU A 95 -8.660 8.887 20.102 1.00 74.33 O ATOM 0 H GLU A 95 -4.877 5.169 17.744 1.00 2.22 H new ATOM 0 HA GLU A 95 -6.218 4.661 20.288 1.00 65.33 H new ATOM 0 HB2 GLU A 95 -6.097 6.951 19.286 1.00 35.44 H new ATOM 0 HB3 GLU A 95 -6.954 6.380 17.867 1.00 35.44 H new ATOM 0 HG2 GLU A 95 -8.927 5.813 19.341 1.00 53.53 H new ATOM 0 HG3 GLU A 95 -8.069 6.504 20.704 1.00 53.53 H new ATOM 1559 N ARG A 96 -7.555 3.782 17.352 1.00 44.32 N ATOM 1560 CA ARG A 96 -8.655 3.071 16.653 1.00 44.52 C ATOM 1561 C ARG A 96 -8.556 1.533 16.712 1.00 73.01 C ATOM 1562 O ARG A 96 -9.462 0.844 16.246 1.00 11.54 O ATOM 1563 CB ARG A 96 -8.781 3.554 15.183 1.00 55.52 C ATOM 1564 CG ARG A 96 -9.056 5.072 15.033 1.00 44.31 C ATOM 1565 CD ARG A 96 -9.594 5.441 13.640 1.00 72.04 C ATOM 1566 NE ARG A 96 -10.865 4.749 13.352 1.00 24.44 N ATOM 1567 CZ ARG A 96 -12.086 5.129 13.782 1.00 24.42 C ATOM 1568 NH1 ARG A 96 -12.263 6.226 14.525 1.00 24.45 N ATOM 1569 NH2 ARG A 96 -13.137 4.382 13.484 1.00 42.53 N ATOM 0 H ARG A 96 -6.951 4.301 16.715 1.00 44.32 H new ATOM 0 HA ARG A 96 -9.561 3.330 17.201 1.00 44.52 H new ATOM 0 HB2 ARG A 96 -7.861 3.309 14.652 1.00 55.52 H new ATOM 0 HB3 ARG A 96 -9.586 3.001 14.699 1.00 55.52 H new ATOM 0 HG2 ARG A 96 -9.775 5.384 15.790 1.00 44.31 H new ATOM 0 HG3 ARG A 96 -8.135 5.625 15.221 1.00 44.31 H new ATOM 0 HD2 ARG A 96 -9.743 6.519 13.580 1.00 72.04 H new ATOM 0 HD3 ARG A 96 -8.856 5.179 12.882 1.00 72.04 H new ATOM 0 HE ARG A 96 -10.816 3.908 12.776 1.00 24.44 H new ATOM 0 HH11 ARG A 96 -11.462 6.802 14.782 1.00 24.45 H new ATOM 0 HH12 ARG A 96 -13.199 6.487 14.835 1.00 24.45 H new ATOM 0 HH21 ARG A 96 -13.018 3.530 12.935 1.00 42.53 H new ATOM 0 HH22 ARG A 96 -14.066 4.658 13.803 1.00 42.53 H new ATOM 1583 N ALA A 97 -7.447 0.995 17.238 1.00 12.43 N ATOM 1584 CA ALA A 97 -7.344 -0.448 17.546 1.00 20.24 C ATOM 1585 C ALA A 97 -8.383 -0.863 18.611 1.00 14.11 C ATOM 1586 O ALA A 97 -8.786 -2.022 18.667 1.00 31.30 O ATOM 1587 CB ALA A 97 -5.930 -0.792 18.005 1.00 1.20 C ATOM 0 H ALA A 97 -6.608 1.531 17.460 1.00 12.43 H new ATOM 0 HA ALA A 97 -7.559 -1.008 16.636 1.00 20.24 H new ATOM 0 HB1 ALA A 97 -5.869 -1.857 18.228 1.00 1.20 H new ATOM 0 HB2 ALA A 97 -5.221 -0.546 17.215 1.00 1.20 H new ATOM 0 HB3 ALA A 97 -5.689 -0.219 18.900 1.00 1.20 H new ATOM 1593 N SER A 98 -8.835 0.113 19.423 1.00 2.44 N ATOM 1594 CA SER A 98 -9.825 -0.103 20.494 1.00 0.23 C ATOM 1595 C SER A 98 -11.234 -0.418 19.946 1.00 74.11 C ATOM 1596 O SER A 98 -12.107 -0.801 20.724 1.00 20.22 O ATOM 1597 CB SER A 98 -9.870 1.133 21.422 1.00 72.12 C ATOM 1598 OG SER A 98 -10.244 2.301 20.707 1.00 0.45 O ATOM 0 H SER A 98 -8.520 1.081 19.353 1.00 2.44 H new ATOM 0 HA SER A 98 -9.507 -0.978 21.061 1.00 0.23 H new ATOM 0 HB2 SER A 98 -10.578 0.957 22.232 1.00 72.12 H new ATOM 0 HB3 SER A 98 -8.892 1.282 21.881 1.00 72.12 H new ATOM 0 HG SER A 98 -9.472 2.640 20.207 1.00 0.45 H new ATOM 1604 N GLU A 99 -11.444 -0.258 18.617 1.00 64.22 N ATOM 1605 CA GLU A 99 -12.731 -0.579 17.958 1.00 15.10 C ATOM 1606 C GLU A 99 -13.162 -2.038 18.222 1.00 53.21 C ATOM 1607 O GLU A 99 -14.336 -2.295 18.525 1.00 32.31 O ATOM 1608 CB GLU A 99 -12.662 -0.318 16.427 1.00 72.40 C ATOM 1609 CG GLU A 99 -12.569 1.171 16.021 1.00 13.23 C ATOM 1610 CD GLU A 99 -13.734 2.025 16.549 1.00 20.34 C ATOM 1611 OE1 GLU A 99 -14.898 1.745 16.192 1.00 23.50 O ATOM 1612 OE2 GLU A 99 -13.503 2.977 17.320 1.00 24.41 O ATOM 0 H GLU A 99 -10.732 0.094 17.977 1.00 64.22 H new ATOM 0 HA GLU A 99 -13.480 0.083 18.394 1.00 15.10 H new ATOM 0 HB2 GLU A 99 -11.797 -0.844 16.023 1.00 72.40 H new ATOM 0 HB3 GLU A 99 -13.546 -0.752 15.960 1.00 72.40 H new ATOM 0 HG2 GLU A 99 -11.630 1.582 16.392 1.00 13.23 H new ATOM 0 HG3 GLU A 99 -12.541 1.242 14.934 1.00 13.23 H new ATOM 1619 N TRP A 100 -12.214 -2.996 18.107 1.00 12.24 N ATOM 1620 CA TRP A 100 -12.530 -4.427 18.302 1.00 52.54 C ATOM 1621 C TRP A 100 -12.441 -4.832 19.790 1.00 71.40 C ATOM 1622 O TRP A 100 -12.940 -5.898 20.159 1.00 12.52 O ATOM 1623 CB TRP A 100 -11.676 -5.349 17.379 1.00 40.03 C ATOM 1624 CG TRP A 100 -10.178 -5.356 17.623 1.00 2.25 C ATOM 1625 CD1 TRP A 100 -9.242 -4.541 17.048 1.00 51.33 C ATOM 1626 CD2 TRP A 100 -9.441 -6.256 18.478 1.00 54.24 C ATOM 1627 NE1 TRP A 100 -7.986 -4.864 17.498 1.00 62.11 N ATOM 1628 CE2 TRP A 100 -8.081 -5.914 18.371 1.00 72.21 C ATOM 1629 CE3 TRP A 100 -9.805 -7.311 19.322 1.00 61.13 C ATOM 1630 CZ2 TRP A 100 -7.085 -6.588 19.075 1.00 4.23 C ATOM 1631 CZ3 TRP A 100 -8.818 -7.979 20.020 1.00 34.34 C ATOM 1632 CH2 TRP A 100 -7.470 -7.617 19.894 1.00 73.42 C ATOM 0 H TRP A 100 -11.237 -2.807 17.883 1.00 12.24 H new ATOM 0 HA TRP A 100 -13.567 -4.572 17.999 1.00 52.54 H new ATOM 0 HB2 TRP A 100 -12.043 -6.370 17.484 1.00 40.03 H new ATOM 0 HB3 TRP A 100 -11.851 -5.052 16.345 1.00 40.03 H new ATOM 0 HD1 TRP A 100 -9.460 -3.755 16.340 1.00 51.33 H new ATOM 0 HE1 TRP A 100 -7.121 -4.397 17.226 1.00 62.11 H new ATOM 0 HE3 TRP A 100 -10.841 -7.598 19.426 1.00 61.13 H new ATOM 0 HZ2 TRP A 100 -6.046 -6.309 18.979 1.00 4.23 H new ATOM 0 HZ3 TRP A 100 -9.090 -8.794 20.674 1.00 34.34 H new ATOM 0 HH2 TRP A 100 -6.721 -8.159 20.452 1.00 73.42 H new ATOM 1643 N ILE A 101 -11.803 -3.983 20.635 1.00 62.30 N ATOM 1644 CA ILE A 101 -11.842 -4.145 22.109 1.00 42.43 C ATOM 1645 C ILE A 101 -13.250 -3.746 22.593 1.00 14.01 C ATOM 1646 O ILE A 101 -13.624 -2.572 22.538 1.00 21.22 O ATOM 1647 CB ILE A 101 -10.728 -3.304 22.882 1.00 52.03 C ATOM 1648 CG1 ILE A 101 -9.294 -3.908 22.681 1.00 34.21 C ATOM 1649 CG2 ILE A 101 -11.043 -3.197 24.407 1.00 22.33 C ATOM 1650 CD1 ILE A 101 -8.709 -3.789 21.286 1.00 22.20 C ATOM 0 H ILE A 101 -11.257 -3.181 20.320 1.00 62.30 H new ATOM 0 HA ILE A 101 -11.622 -5.188 22.336 1.00 42.43 H new ATOM 0 HB ILE A 101 -10.745 -2.304 22.450 1.00 52.03 H new ATOM 0 HG12 ILE A 101 -8.615 -3.420 23.380 1.00 34.21 H new ATOM 0 HG13 ILE A 101 -9.325 -4.964 22.951 1.00 34.21 H new ATOM 0 HG21 ILE A 101 -10.262 -2.617 24.900 1.00 22.33 H new ATOM 0 HG22 ILE A 101 -12.005 -2.703 24.546 1.00 22.33 H new ATOM 0 HG23 ILE A 101 -11.082 -4.196 24.841 1.00 22.33 H new ATOM 0 HD11 ILE A 101 -7.717 -4.240 21.268 1.00 22.20 H new ATOM 0 HD12 ILE A 101 -9.355 -4.304 20.575 1.00 22.20 H new ATOM 0 HD13 ILE A 101 -8.634 -2.737 21.011 1.00 22.20 H new ATOM 1662 N ILE A 102 -14.036 -4.747 23.014 1.00 21.54 N ATOM 1663 CA ILE A 102 -15.395 -4.544 23.527 1.00 62.54 C ATOM 1664 C ILE A 102 -15.397 -4.821 25.038 1.00 75.50 C ATOM 1665 O ILE A 102 -14.970 -5.893 25.483 1.00 5.14 O ATOM 1666 CB ILE A 102 -16.435 -5.467 22.784 1.00 33.32 C ATOM 1667 CG1 ILE A 102 -16.407 -5.220 21.236 1.00 15.42 C ATOM 1668 CG2 ILE A 102 -17.866 -5.266 23.343 1.00 24.44 C ATOM 1669 CD1 ILE A 102 -16.758 -3.803 20.799 1.00 15.41 C ATOM 0 H ILE A 102 -13.744 -5.724 23.007 1.00 21.54 H new ATOM 0 HA ILE A 102 -15.698 -3.513 23.342 1.00 62.54 H new ATOM 0 HB ILE A 102 -16.143 -6.501 22.968 1.00 33.32 H new ATOM 0 HG12 ILE A 102 -15.412 -5.462 20.863 1.00 15.42 H new ATOM 0 HG13 ILE A 102 -17.102 -5.912 20.761 1.00 15.42 H new ATOM 0 HG21 ILE A 102 -18.560 -5.916 22.810 1.00 24.44 H new ATOM 0 HG22 ILE A 102 -17.880 -5.513 24.405 1.00 24.44 H new ATOM 0 HG23 ILE A 102 -18.167 -4.227 23.208 1.00 24.44 H new ATOM 0 HD11 ILE A 102 -16.710 -3.735 19.712 1.00 15.41 H new ATOM 0 HD12 ILE A 102 -17.766 -3.558 21.134 1.00 15.41 H new ATOM 0 HD13 ILE A 102 -16.049 -3.101 21.238 1.00 15.41 H new ATOM 1681 N LEU A 103 -15.872 -3.836 25.814 1.00 5.04 N ATOM 1682 CA LEU A 103 -15.893 -3.887 27.289 1.00 21.25 C ATOM 1683 C LEU A 103 -17.105 -4.702 27.807 1.00 54.23 C ATOM 1684 O LEU A 103 -17.165 -5.029 28.999 1.00 71.21 O ATOM 1685 CB LEU A 103 -15.902 -2.445 27.890 1.00 52.10 C ATOM 1686 CG LEU A 103 -14.596 -1.580 27.732 1.00 52.31 C ATOM 1687 CD1 LEU A 103 -14.306 -1.174 26.269 1.00 74.54 C ATOM 1688 CD2 LEU A 103 -14.649 -0.337 28.652 1.00 30.41 C ATOM 0 H LEU A 103 -16.257 -2.971 25.434 1.00 5.04 H new ATOM 0 HA LEU A 103 -14.985 -4.393 27.618 1.00 21.25 H new ATOM 0 HB2 LEU A 103 -16.726 -1.896 27.433 1.00 52.10 H new ATOM 0 HB3 LEU A 103 -16.124 -2.526 28.954 1.00 52.10 H new ATOM 0 HG LEU A 103 -13.765 -2.215 28.041 1.00 52.31 H new ATOM 0 HD11 LEU A 103 -13.393 -0.580 26.230 1.00 74.54 H new ATOM 0 HD12 LEU A 103 -14.182 -2.070 25.661 1.00 74.54 H new ATOM 0 HD13 LEU A 103 -15.138 -0.585 25.883 1.00 74.54 H new ATOM 0 HD21 LEU A 103 -13.737 0.247 28.527 1.00 30.41 H new ATOM 0 HD22 LEU A 103 -15.511 0.275 28.387 1.00 30.41 H new ATOM 0 HD23 LEU A 103 -14.736 -0.656 29.690 1.00 30.41 H new ATOM 1700 N GLU A 104 -18.068 -5.011 26.907 1.00 10.23 N ATOM 1701 CA GLU A 104 -19.247 -5.844 27.238 1.00 44.04 C ATOM 1702 C GLU A 104 -18.810 -7.324 27.411 1.00 65.35 C ATOM 1703 O GLU A 104 -18.558 -7.758 28.553 1.00 31.44 O ATOM 1704 CB GLU A 104 -20.352 -5.714 26.141 1.00 74.22 C ATOM 1705 CG GLU A 104 -20.756 -4.272 25.777 1.00 31.45 C ATOM 1706 CD GLU A 104 -21.249 -3.436 26.973 1.00 41.31 C ATOM 1707 OE1 GLU A 104 -22.455 -3.498 27.300 1.00 22.40 O ATOM 1708 OE2 GLU A 104 -20.434 -2.710 27.587 1.00 22.12 O ATOM 0 H GLU A 104 -18.050 -4.692 25.938 1.00 10.23 H new ATOM 0 HA GLU A 104 -19.674 -5.490 28.176 1.00 44.04 H new ATOM 0 HB2 GLU A 104 -20.004 -6.215 25.238 1.00 74.22 H new ATOM 0 HB3 GLU A 104 -21.240 -6.248 26.479 1.00 74.22 H new ATOM 0 HG2 GLU A 104 -19.901 -3.770 25.324 1.00 31.45 H new ATOM 0 HG3 GLU A 104 -21.542 -4.306 25.023 1.00 31.45 H new TER 1715 GLU A 104