USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 571 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 77:sc= 0.0618 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 17 GLN : amide:sc= -3.09! C(o=-3.1!,f=-9.2!) USER MOD Single : A 18 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.8!) USER MOD Single : A 19 MET CE :methyl -156:sc= -0.155 (180deg=-0.691) USER MOD Single : A 26 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.07) USER MOD Single : A 27 THR OG1 : rot 79:sc= 0.756 USER MOD Single : A 37 SER OG : rot -140:sc= 1.72 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.56) USER MOD Single : A 49 HIS : no HD1:sc= -1.78! K(o=-1.8!,f=-2.4) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.0364 X(o=-0.036,f=0.13) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.228 -7.725 7.089 1.00 0.13 N ATOM 2 CA MET A 1 -13.103 -6.553 6.810 1.00 11.01 C ATOM 3 C MET A 1 -13.174 -6.253 5.305 1.00 50.23 C ATOM 4 O MET A 1 -12.236 -5.703 4.728 1.00 44.42 O ATOM 5 CB MET A 1 -12.590 -5.319 7.568 1.00 53.13 C ATOM 6 CG MET A 1 -13.404 -4.057 7.315 1.00 5.43 C ATOM 7 SD MET A 1 -12.755 -2.621 8.191 1.00 0.21 S ATOM 8 CE MET A 1 -13.837 -1.325 7.588 1.00 51.42 C ATOM 0 H1 MET A 1 -12.201 -7.902 8.113 1.00 0.13 H new ATOM 0 H2 MET A 1 -12.605 -8.563 6.603 1.00 0.13 H new ATOM 0 H3 MET A 1 -11.266 -7.529 6.746 1.00 0.13 H new ATOM 0 HA MET A 1 -14.109 -6.796 7.153 1.00 11.01 H new ATOM 0 HB2 MET A 1 -12.594 -5.534 8.637 1.00 53.13 H new ATOM 0 HB3 MET A 1 -11.554 -5.135 7.283 1.00 53.13 H new ATOM 0 HG2 MET A 1 -13.419 -3.848 6.245 1.00 5.43 H new ATOM 0 HG3 MET A 1 -14.436 -4.228 7.621 1.00 5.43 H new ATOM 0 HE1 MET A 1 -13.556 -0.375 8.043 1.00 51.42 H new ATOM 0 HE2 MET A 1 -13.745 -1.249 6.505 1.00 51.42 H new ATOM 0 HE3 MET A 1 -14.869 -1.561 7.849 1.00 51.42 H new ATOM 20 N SER A 2 -14.290 -6.616 4.674 1.00 24.14 N ATOM 21 CA SER A 2 -14.490 -6.346 3.242 1.00 4.14 C ATOM 22 C SER A 2 -14.636 -4.840 2.978 1.00 1.10 C ATOM 23 O SER A 2 -15.692 -4.257 3.225 1.00 51.10 O ATOM 24 CB SER A 2 -15.733 -7.082 2.717 1.00 71.52 C ATOM 25 OG SER A 2 -15.964 -6.792 1.346 1.00 63.54 O ATOM 0 H SER A 2 -15.069 -7.096 5.125 1.00 24.14 H new ATOM 0 HA SER A 2 -13.609 -6.711 2.714 1.00 4.14 H new ATOM 0 HB2 SER A 2 -15.604 -8.157 2.847 1.00 71.52 H new ATOM 0 HB3 SER A 2 -16.605 -6.792 3.304 1.00 71.52 H new ATOM 0 HG SER A 2 -16.760 -7.275 1.039 1.00 63.54 H new ATOM 31 N GLU A 3 -13.565 -4.213 2.501 1.00 54.10 N ATOM 32 CA GLU A 3 -13.563 -2.768 2.216 1.00 73.55 C ATOM 33 C GLU A 3 -12.930 -2.470 0.845 1.00 10.54 C ATOM 34 O GLU A 3 -11.840 -2.955 0.530 1.00 73.23 O ATOM 35 CB GLU A 3 -12.817 -2.020 3.338 1.00 41.12 C ATOM 36 CG GLU A 3 -12.584 -0.527 3.084 1.00 52.50 C ATOM 37 CD GLU A 3 -13.868 0.269 2.895 1.00 45.11 C ATOM 38 OE1 GLU A 3 -14.423 0.776 3.895 1.00 72.14 O ATOM 39 OE2 GLU A 3 -14.324 0.401 1.740 1.00 23.21 O ATOM 0 H GLU A 3 -12.680 -4.679 2.300 1.00 54.10 H new ATOM 0 HA GLU A 3 -14.595 -2.419 2.180 1.00 73.55 H new ATOM 0 HB2 GLU A 3 -13.381 -2.131 4.264 1.00 41.12 H new ATOM 0 HB3 GLU A 3 -11.851 -2.501 3.494 1.00 41.12 H new ATOM 0 HG2 GLU A 3 -12.027 -0.108 3.922 1.00 52.50 H new ATOM 0 HG3 GLU A 3 -11.961 -0.411 2.197 1.00 52.50 H new ATOM 46 N SER A 4 -13.625 -1.664 0.037 1.00 23.40 N ATOM 47 CA SER A 4 -13.135 -1.281 -1.296 1.00 53.43 C ATOM 48 C SER A 4 -11.830 -0.478 -1.207 1.00 21.41 C ATOM 49 O SER A 4 -10.955 -0.614 -2.055 1.00 15.33 O ATOM 50 CB SER A 4 -14.196 -0.466 -2.051 1.00 5.25 C ATOM 51 OG SER A 4 -15.351 -1.248 -2.320 1.00 61.24 O ATOM 0 H SER A 4 -14.530 -1.262 0.281 1.00 23.40 H new ATOM 0 HA SER A 4 -12.934 -2.201 -1.844 1.00 53.43 H new ATOM 0 HB2 SER A 4 -14.475 0.407 -1.461 1.00 5.25 H new ATOM 0 HB3 SER A 4 -13.777 -0.098 -2.987 1.00 5.25 H new ATOM 0 HG SER A 4 -16.010 -0.704 -2.800 1.00 61.24 H new ATOM 57 N ILE A 5 -11.706 0.349 -0.171 1.00 5.11 N ATOM 58 CA ILE A 5 -10.481 1.132 0.050 1.00 22.15 C ATOM 59 C ILE A 5 -9.258 0.214 0.214 1.00 31.11 C ATOM 60 O ILE A 5 -8.220 0.419 -0.418 1.00 12.13 O ATOM 61 CB ILE A 5 -10.612 2.046 1.299 1.00 53.41 C ATOM 62 CG1 ILE A 5 -11.800 3.016 1.139 1.00 3.20 C ATOM 63 CG2 ILE A 5 -9.314 2.817 1.548 1.00 22.23 C ATOM 64 CD1 ILE A 5 -11.683 3.942 -0.056 1.00 11.42 C ATOM 0 H ILE A 5 -12.433 0.498 0.529 1.00 5.11 H new ATOM 0 HA ILE A 5 -10.340 1.758 -0.831 1.00 22.15 H new ATOM 0 HB ILE A 5 -10.801 1.413 2.166 1.00 53.41 H new ATOM 0 HG12 ILE A 5 -12.719 2.437 1.048 1.00 3.20 H new ATOM 0 HG13 ILE A 5 -11.890 3.617 2.044 1.00 3.20 H new ATOM 0 HG21 ILE A 5 -9.430 3.450 2.428 1.00 22.23 H new ATOM 0 HG22 ILE A 5 -8.498 2.113 1.713 1.00 22.23 H new ATOM 0 HG23 ILE A 5 -9.088 3.438 0.681 1.00 22.23 H new ATOM 0 HD11 ILE A 5 -12.557 4.592 -0.099 1.00 11.42 H new ATOM 0 HD12 ILE A 5 -10.783 4.549 0.041 1.00 11.42 H new ATOM 0 HD13 ILE A 5 -11.625 3.351 -0.970 1.00 11.42 H new ATOM 76 N VAL A 6 -9.395 -0.810 1.060 1.00 34.20 N ATOM 77 CA VAL A 6 -8.330 -1.798 1.263 1.00 73.00 C ATOM 78 C VAL A 6 -8.014 -2.542 -0.046 1.00 13.12 C ATOM 79 O VAL A 6 -6.853 -2.669 -0.435 1.00 5.11 O ATOM 80 CB VAL A 6 -8.716 -2.830 2.356 1.00 13.15 C ATOM 81 CG1 VAL A 6 -7.590 -3.841 2.575 1.00 42.14 C ATOM 82 CG2 VAL A 6 -9.074 -2.123 3.662 1.00 1.55 C ATOM 0 H VAL A 6 -10.233 -0.978 1.616 1.00 34.20 H new ATOM 0 HA VAL A 6 -7.445 -1.252 1.591 1.00 73.00 H new ATOM 0 HB VAL A 6 -9.595 -3.376 2.012 1.00 13.15 H new ATOM 0 HG11 VAL A 6 -7.885 -4.553 3.346 1.00 42.14 H new ATOM 0 HG12 VAL A 6 -7.393 -4.374 1.645 1.00 42.14 H new ATOM 0 HG13 VAL A 6 -6.688 -3.318 2.891 1.00 42.14 H new ATOM 0 HG21 VAL A 6 -9.342 -2.864 4.415 1.00 1.55 H new ATOM 0 HG22 VAL A 6 -8.218 -1.545 4.010 1.00 1.55 H new ATOM 0 HG23 VAL A 6 -9.919 -1.455 3.494 1.00 1.55 H new ATOM 92 N THR A 7 -9.061 -3.015 -0.723 1.00 24.41 N ATOM 93 CA THR A 7 -8.911 -3.709 -2.015 1.00 52.23 C ATOM 94 C THR A 7 -8.209 -2.823 -3.055 1.00 74.41 C ATOM 95 O THR A 7 -7.380 -3.298 -3.831 1.00 22.22 O ATOM 96 CB THR A 7 -10.282 -4.167 -2.574 1.00 22.23 C ATOM 97 OG1 THR A 7 -10.897 -5.097 -1.667 1.00 32.14 O ATOM 98 CG2 THR A 7 -10.133 -4.821 -3.946 1.00 51.52 C ATOM 0 H THR A 7 -10.026 -2.933 -0.403 1.00 24.41 H new ATOM 0 HA THR A 7 -8.293 -4.587 -1.827 1.00 52.23 H new ATOM 0 HB THR A 7 -10.911 -3.283 -2.680 1.00 22.23 H new ATOM 0 HG1 THR A 7 -11.273 -4.610 -0.904 1.00 32.14 H new ATOM 0 HG21 THR A 7 -11.113 -5.131 -4.310 1.00 51.52 H new ATOM 0 HG22 THR A 7 -9.696 -4.107 -4.644 1.00 51.52 H new ATOM 0 HG23 THR A 7 -9.484 -5.693 -3.865 1.00 51.52 H new ATOM 106 N LYS A 8 -8.545 -1.532 -3.063 1.00 33.54 N ATOM 107 CA LYS A 8 -7.896 -0.564 -3.951 1.00 43.50 C ATOM 108 C LYS A 8 -6.381 -0.548 -3.712 1.00 4.02 C ATOM 109 O LYS A 8 -5.588 -0.737 -4.637 1.00 53.14 O ATOM 110 CB LYS A 8 -8.482 0.837 -3.718 1.00 71.51 C ATOM 111 CG LYS A 8 -7.886 1.929 -4.609 1.00 70.14 C ATOM 112 CD LYS A 8 -8.209 1.699 -6.086 1.00 10.21 C ATOM 113 CE LYS A 8 -7.684 2.832 -6.964 1.00 30.50 C ATOM 114 NZ LYS A 8 -8.058 2.644 -8.390 1.00 24.04 N ATOM 0 H LYS A 8 -9.265 -1.131 -2.463 1.00 33.54 H new ATOM 0 HA LYS A 8 -8.081 -0.860 -4.984 1.00 43.50 H new ATOM 0 HB2 LYS A 8 -9.559 0.799 -3.882 1.00 71.51 H new ATOM 0 HB3 LYS A 8 -8.328 1.113 -2.675 1.00 71.51 H new ATOM 0 HG2 LYS A 8 -8.272 2.900 -4.300 1.00 70.14 H new ATOM 0 HG3 LYS A 8 -6.805 1.958 -4.474 1.00 70.14 H new ATOM 0 HD2 LYS A 8 -7.772 0.755 -6.411 1.00 10.21 H new ATOM 0 HD3 LYS A 8 -9.288 1.611 -6.213 1.00 10.21 H new ATOM 0 HE2 LYS A 8 -8.080 3.782 -6.607 1.00 30.50 H new ATOM 0 HE3 LYS A 8 -6.599 2.886 -6.877 1.00 30.50 H new ATOM 0 HZ1 LYS A 8 -7.684 3.433 -8.954 1.00 24.04 H new ATOM 0 HZ2 LYS A 8 -7.659 1.749 -8.739 1.00 24.04 H new ATOM 0 HZ3 LYS A 8 -9.094 2.618 -8.477 1.00 24.04 H new ATOM 128 N ILE A 9 -5.995 -0.345 -2.453 1.00 41.25 N ATOM 129 CA ILE A 9 -4.583 -0.323 -2.060 1.00 54.34 C ATOM 130 C ILE A 9 -3.863 -1.637 -2.425 1.00 14.44 C ATOM 131 O ILE A 9 -2.788 -1.615 -3.028 1.00 34.25 O ATOM 132 CB ILE A 9 -4.438 -0.047 -0.542 1.00 54.11 C ATOM 133 CG1 ILE A 9 -5.007 1.343 -0.204 1.00 63.34 C ATOM 134 CG2 ILE A 9 -2.977 -0.161 -0.101 1.00 74.55 C ATOM 135 CD1 ILE A 9 -4.920 1.705 1.263 1.00 70.42 C ATOM 0 H ILE A 9 -6.644 -0.192 -1.681 1.00 41.25 H new ATOM 0 HA ILE A 9 -4.110 0.486 -2.617 1.00 54.34 H new ATOM 0 HB ILE A 9 -5.007 -0.800 0.004 1.00 54.11 H new ATOM 0 HG12 ILE A 9 -4.472 2.094 -0.785 1.00 63.34 H new ATOM 0 HG13 ILE A 9 -6.051 1.382 -0.516 1.00 63.34 H new ATOM 0 HG21 ILE A 9 -2.903 0.037 0.968 1.00 74.55 H new ATOM 0 HG22 ILE A 9 -2.611 -1.166 -0.310 1.00 74.55 H new ATOM 0 HG23 ILE A 9 -2.374 0.565 -0.647 1.00 74.55 H new ATOM 0 HD11 ILE A 9 -5.341 2.698 1.418 1.00 70.42 H new ATOM 0 HD12 ILE A 9 -5.480 0.978 1.851 1.00 70.42 H new ATOM 0 HD13 ILE A 9 -3.876 1.700 1.578 1.00 70.42 H new ATOM 147 N ILE A 10 -4.464 -2.776 -2.074 1.00 1.12 N ATOM 148 CA ILE A 10 -3.885 -4.088 -2.395 1.00 62.30 C ATOM 149 C ILE A 10 -3.706 -4.273 -3.915 1.00 23.52 C ATOM 150 O ILE A 10 -2.662 -4.736 -4.379 1.00 74.43 O ATOM 151 CB ILE A 10 -4.756 -5.246 -1.832 1.00 61.32 C ATOM 152 CG1 ILE A 10 -4.843 -5.156 -0.297 1.00 13.42 C ATOM 153 CG2 ILE A 10 -4.199 -6.603 -2.262 1.00 43.23 C ATOM 154 CD1 ILE A 10 -5.699 -6.239 0.336 1.00 24.13 C ATOM 0 H ILE A 10 -5.349 -2.819 -1.569 1.00 1.12 H new ATOM 0 HA ILE A 10 -2.904 -4.121 -1.921 1.00 62.30 H new ATOM 0 HB ILE A 10 -5.762 -5.148 -2.241 1.00 61.32 H new ATOM 0 HG12 ILE A 10 -3.837 -5.213 0.118 1.00 13.42 H new ATOM 0 HG13 ILE A 10 -5.246 -4.181 -0.022 1.00 13.42 H new ATOM 0 HG21 ILE A 10 -4.825 -7.398 -1.856 1.00 43.23 H new ATOM 0 HG22 ILE A 10 -4.193 -6.665 -3.350 1.00 43.23 H new ATOM 0 HG23 ILE A 10 -3.182 -6.714 -1.886 1.00 43.23 H new ATOM 0 HD11 ILE A 10 -5.711 -6.108 1.418 1.00 24.13 H new ATOM 0 HD12 ILE A 10 -6.716 -6.170 -0.049 1.00 24.13 H new ATOM 0 HD13 ILE A 10 -5.285 -7.218 0.094 1.00 24.13 H new ATOM 166 N SER A 11 -4.726 -3.890 -4.681 1.00 54.23 N ATOM 167 CA SER A 11 -4.679 -3.985 -6.149 1.00 3.00 C ATOM 168 C SER A 11 -3.575 -3.091 -6.738 1.00 53.41 C ATOM 169 O SER A 11 -2.976 -3.420 -7.765 1.00 52.12 O ATOM 170 CB SER A 11 -6.038 -3.602 -6.752 1.00 70.24 C ATOM 171 OG SER A 11 -6.032 -3.722 -8.168 1.00 65.51 O ATOM 0 H SER A 11 -5.598 -3.510 -4.314 1.00 54.23 H new ATOM 0 HA SER A 11 -4.449 -5.019 -6.405 1.00 3.00 H new ATOM 0 HB2 SER A 11 -6.816 -4.242 -6.335 1.00 70.24 H new ATOM 0 HB3 SER A 11 -6.285 -2.577 -6.474 1.00 70.24 H new ATOM 0 HG SER A 11 -6.912 -3.473 -8.521 1.00 65.51 H new ATOM 177 N ILE A 12 -3.314 -1.958 -6.082 1.00 11.41 N ATOM 178 CA ILE A 12 -2.231 -1.050 -6.484 1.00 30.43 C ATOM 179 C ILE A 12 -0.850 -1.653 -6.172 1.00 63.42 C ATOM 180 O ILE A 12 0.038 -1.676 -7.026 1.00 72.34 O ATOM 181 CB ILE A 12 -2.368 0.325 -5.778 1.00 62.01 C ATOM 182 CG1 ILE A 12 -3.676 1.013 -6.204 1.00 25.51 C ATOM 183 CG2 ILE A 12 -1.163 1.216 -6.084 1.00 31.05 C ATOM 184 CD1 ILE A 12 -3.988 2.271 -5.424 1.00 41.20 C ATOM 0 H ILE A 12 -3.839 -1.644 -5.266 1.00 11.41 H new ATOM 0 HA ILE A 12 -2.314 -0.907 -7.561 1.00 30.43 H new ATOM 0 HB ILE A 12 -2.398 0.159 -4.701 1.00 62.01 H new ATOM 0 HG12 ILE A 12 -3.617 1.260 -7.264 1.00 25.51 H new ATOM 0 HG13 ILE A 12 -4.500 0.310 -6.086 1.00 25.51 H new ATOM 0 HG21 ILE A 12 -1.281 2.174 -5.578 1.00 31.05 H new ATOM 0 HG22 ILE A 12 -0.253 0.730 -5.732 1.00 31.05 H new ATOM 0 HG23 ILE A 12 -1.095 1.379 -7.160 1.00 31.05 H new ATOM 0 HD11 ILE A 12 -4.925 2.698 -5.782 1.00 41.20 H new ATOM 0 HD12 ILE A 12 -4.081 2.029 -4.365 1.00 41.20 H new ATOM 0 HD13 ILE A 12 -3.184 2.994 -5.562 1.00 41.20 H new ATOM 196 N VAL A 13 -0.678 -2.144 -4.943 1.00 11.12 N ATOM 197 CA VAL A 13 0.564 -2.819 -4.547 1.00 60.35 C ATOM 198 C VAL A 13 0.864 -4.001 -5.482 1.00 42.12 C ATOM 199 O VAL A 13 1.998 -4.188 -5.930 1.00 54.43 O ATOM 200 CB VAL A 13 0.488 -3.328 -3.083 1.00 2.21 C ATOM 201 CG1 VAL A 13 1.774 -4.055 -2.688 1.00 55.35 C ATOM 202 CG2 VAL A 13 0.204 -2.174 -2.121 1.00 13.32 C ATOM 0 H VAL A 13 -1.380 -2.088 -4.205 1.00 11.12 H new ATOM 0 HA VAL A 13 1.368 -2.087 -4.622 1.00 60.35 H new ATOM 0 HB VAL A 13 -0.336 -4.039 -3.018 1.00 2.21 H new ATOM 0 HG11 VAL A 13 1.694 -4.401 -1.658 1.00 55.35 H new ATOM 0 HG12 VAL A 13 1.926 -4.910 -3.347 1.00 55.35 H new ATOM 0 HG13 VAL A 13 2.620 -3.373 -2.777 1.00 55.35 H new ATOM 0 HG21 VAL A 13 0.155 -2.554 -1.101 1.00 13.32 H new ATOM 0 HG22 VAL A 13 1.001 -1.434 -2.195 1.00 13.32 H new ATOM 0 HG23 VAL A 13 -0.747 -1.709 -2.381 1.00 13.32 H new ATOM 212 N GLN A 14 -0.170 -4.782 -5.783 1.00 30.01 N ATOM 213 CA GLN A 14 -0.049 -5.907 -6.713 1.00 74.20 C ATOM 214 C GLN A 14 0.264 -5.412 -8.135 1.00 1.15 C ATOM 215 O GLN A 14 1.074 -6.000 -8.841 1.00 45.55 O ATOM 216 CB GLN A 14 -1.338 -6.739 -6.704 1.00 23.10 C ATOM 217 CG GLN A 14 -1.240 -8.034 -7.504 1.00 25.30 C ATOM 218 CD GLN A 14 -2.503 -8.874 -7.425 1.00 73.13 C ATOM 219 OE1 GLN A 14 -3.608 -8.354 -7.290 1.00 61.33 O ATOM 220 NE2 GLN A 14 -2.355 -10.182 -7.498 1.00 11.52 N ATOM 0 H GLN A 14 -1.106 -4.658 -5.396 1.00 30.01 H new ATOM 0 HA GLN A 14 0.778 -6.537 -6.387 1.00 74.20 H new ATOM 0 HB2 GLN A 14 -1.598 -6.979 -5.673 1.00 23.10 H new ATOM 0 HB3 GLN A 14 -2.152 -6.135 -7.106 1.00 23.10 H new ATOM 0 HG2 GLN A 14 -1.033 -7.796 -8.547 1.00 25.30 H new ATOM 0 HG3 GLN A 14 -0.397 -8.619 -7.137 1.00 25.30 H new ATOM 0 HE21 GLN A 14 -1.425 -10.584 -7.610 1.00 11.52 H new ATOM 0 HE22 GLN A 14 -3.171 -10.791 -7.442 1.00 11.52 H new ATOM 229 N GLU A 15 -0.373 -4.312 -8.542 1.00 21.43 N ATOM 230 CA GLU A 15 -0.098 -3.688 -9.845 1.00 24.41 C ATOM 231 C GLU A 15 1.396 -3.359 -9.990 1.00 52.23 C ATOM 232 O GLU A 15 2.024 -3.677 -11.002 1.00 0.32 O ATOM 233 CB GLU A 15 -0.932 -2.406 -10.006 1.00 52.40 C ATOM 234 CG GLU A 15 -0.730 -1.682 -11.335 1.00 11.25 C ATOM 235 CD GLU A 15 -1.228 -2.484 -12.528 1.00 11.44 C ATOM 236 OE1 GLU A 15 -2.436 -2.405 -12.837 1.00 11.14 O ATOM 237 OE2 GLU A 15 -0.419 -3.190 -13.164 1.00 0.30 O ATOM 0 H GLU A 15 -1.084 -3.832 -7.990 1.00 21.43 H new ATOM 0 HA GLU A 15 -0.374 -4.397 -10.626 1.00 24.41 H new ATOM 0 HB2 GLU A 15 -1.987 -2.659 -9.901 1.00 52.40 H new ATOM 0 HB3 GLU A 15 -0.685 -1.723 -9.193 1.00 52.40 H new ATOM 0 HG2 GLU A 15 -1.251 -0.725 -11.304 1.00 11.25 H new ATOM 0 HG3 GLU A 15 0.330 -1.464 -11.467 1.00 11.25 H new ATOM 244 N ARG A 16 1.960 -2.732 -8.960 1.00 41.40 N ATOM 245 CA ARG A 16 3.386 -2.393 -8.953 1.00 3.21 C ATOM 246 C ARG A 16 4.265 -3.659 -8.963 1.00 63.43 C ATOM 247 O ARG A 16 5.337 -3.680 -9.569 1.00 65.30 O ATOM 248 CB ARG A 16 3.720 -1.505 -7.748 1.00 33.01 C ATOM 249 CG ARG A 16 2.932 -0.192 -7.716 1.00 22.35 C ATOM 250 CD ARG A 16 3.098 0.615 -9.009 1.00 30.10 C ATOM 251 NE ARG A 16 3.566 1.980 -8.759 1.00 52.13 N ATOM 252 CZ ARG A 16 4.371 2.640 -9.552 1.00 4.32 C ATOM 253 NH1 ARG A 16 4.826 2.093 -10.633 1.00 11.41 N ATOM 254 NH2 ARG A 16 4.716 3.852 -9.263 1.00 4.45 N ATOM 0 H ARG A 16 1.455 -2.448 -8.120 1.00 41.40 H new ATOM 0 HA ARG A 16 3.603 -1.836 -9.864 1.00 3.21 H new ATOM 0 HB2 ARG A 16 3.521 -2.061 -6.832 1.00 33.01 H new ATOM 0 HB3 ARG A 16 4.786 -1.279 -7.758 1.00 33.01 H new ATOM 0 HG2 ARG A 16 1.875 -0.408 -7.558 1.00 22.35 H new ATOM 0 HG3 ARG A 16 3.265 0.409 -6.870 1.00 22.35 H new ATOM 0 HD2 ARG A 16 3.805 0.106 -9.664 1.00 30.10 H new ATOM 0 HD3 ARG A 16 2.145 0.651 -9.536 1.00 30.10 H new ATOM 0 HE ARG A 16 3.243 2.447 -7.911 1.00 52.13 H new ATOM 0 HH11 ARG A 16 4.558 1.139 -10.874 1.00 11.41 H new ATOM 0 HH12 ARG A 16 5.453 2.616 -11.244 1.00 11.41 H new ATOM 0 HH21 ARG A 16 4.361 4.295 -8.416 1.00 4.45 H new ATOM 0 HH22 ARG A 16 5.344 4.365 -9.882 1.00 4.45 H new ATOM 268 N GLN A 17 3.794 -4.715 -8.302 1.00 43.54 N ATOM 269 CA GLN A 17 4.466 -6.024 -8.337 1.00 12.54 C ATOM 270 C GLN A 17 4.445 -6.635 -9.748 1.00 22.41 C ATOM 271 O GLN A 17 5.423 -7.238 -10.194 1.00 25.00 O ATOM 272 CB GLN A 17 3.789 -6.991 -7.352 1.00 52.12 C ATOM 273 CG GLN A 17 4.228 -6.828 -5.899 1.00 23.11 C ATOM 274 CD GLN A 17 5.628 -7.371 -5.642 1.00 71.34 C ATOM 275 OE1 GLN A 17 6.493 -7.346 -6.509 1.00 15.51 O ATOM 276 NE2 GLN A 17 5.851 -7.894 -4.455 1.00 41.15 N ATOM 0 H GLN A 17 2.948 -4.695 -7.733 1.00 43.54 H new ATOM 0 HA GLN A 17 5.505 -5.868 -8.048 1.00 12.54 H new ATOM 0 HB2 GLN A 17 2.710 -6.851 -7.410 1.00 52.12 H new ATOM 0 HB3 GLN A 17 3.995 -8.014 -7.668 1.00 52.12 H new ATOM 0 HG2 GLN A 17 4.198 -5.772 -5.631 1.00 23.11 H new ATOM 0 HG3 GLN A 17 3.519 -7.342 -5.250 1.00 23.11 H new ATOM 0 HE21 GLN A 17 5.111 -7.900 -3.753 1.00 41.15 H new ATOM 0 HE22 GLN A 17 6.764 -8.293 -4.237 1.00 41.15 H new ATOM 285 N ASN A 18 3.319 -6.485 -10.436 1.00 21.33 N ATOM 286 CA ASN A 18 3.135 -7.065 -11.771 1.00 74.35 C ATOM 287 C ASN A 18 3.883 -6.273 -12.860 1.00 54.23 C ATOM 288 O ASN A 18 4.169 -6.803 -13.937 1.00 14.34 O ATOM 289 CB ASN A 18 1.639 -7.146 -12.101 1.00 55.01 C ATOM 290 CG ASN A 18 0.897 -8.140 -11.217 1.00 32.30 C ATOM 291 OD1 ASN A 18 1.306 -8.432 -10.099 1.00 13.51 O ATOM 292 ND2 ASN A 18 -0.209 -8.664 -11.708 1.00 50.13 N ATOM 0 H ASN A 18 2.512 -5.964 -10.093 1.00 21.33 H new ATOM 0 HA ASN A 18 3.561 -8.068 -11.757 1.00 74.35 H new ATOM 0 HB2 ASN A 18 1.191 -6.159 -11.986 1.00 55.01 H new ATOM 0 HB3 ASN A 18 1.516 -7.432 -13.146 1.00 55.01 H new ATOM 0 HD21 ASN A 18 -0.747 -9.330 -11.154 1.00 50.13 H new ATOM 0 HD22 ASN A 18 -0.526 -8.403 -12.642 1.00 50.13 H new ATOM 299 N MET A 19 4.192 -5.002 -12.594 1.00 60.21 N ATOM 300 CA MET A 19 4.978 -4.200 -13.545 1.00 61.11 C ATOM 301 C MET A 19 6.486 -4.441 -13.369 1.00 11.34 C ATOM 302 O MET A 19 7.247 -4.379 -14.334 1.00 65.32 O ATOM 303 CB MET A 19 4.671 -2.699 -13.414 1.00 1.25 C ATOM 304 CG MET A 19 5.062 -2.098 -12.073 1.00 61.23 C ATOM 305 SD MET A 19 4.991 -0.296 -12.062 1.00 64.54 S ATOM 306 CE MET A 19 6.340 0.090 -13.179 1.00 64.22 C ATOM 0 H MET A 19 3.917 -4.509 -11.744 1.00 60.21 H new ATOM 0 HA MET A 19 4.686 -4.524 -14.544 1.00 61.11 H new ATOM 0 HB2 MET A 19 5.193 -2.162 -14.206 1.00 1.25 H new ATOM 0 HB3 MET A 19 3.604 -2.543 -13.572 1.00 1.25 H new ATOM 0 HG2 MET A 19 4.400 -2.487 -11.300 1.00 61.23 H new ATOM 0 HG3 MET A 19 6.072 -2.418 -11.818 1.00 61.23 H new ATOM 0 HE1 MET A 19 6.711 1.093 -12.969 1.00 64.22 H new ATOM 0 HE2 MET A 19 7.145 -0.631 -13.040 1.00 64.22 H new ATOM 0 HE3 MET A 19 5.985 0.043 -14.208 1.00 64.22 H new ATOM 316 N ASP A 20 6.915 -4.712 -12.133 1.00 53.44 N ATOM 317 CA ASP A 20 8.328 -4.967 -11.846 1.00 43.43 C ATOM 318 C ASP A 20 8.480 -5.885 -10.618 1.00 51.23 C ATOM 319 O ASP A 20 8.138 -5.508 -9.495 1.00 54.40 O ATOM 320 CB ASP A 20 9.068 -3.643 -11.620 1.00 14.42 C ATOM 321 CG ASP A 20 10.578 -3.811 -11.632 1.00 71.00 C ATOM 322 OD1 ASP A 20 11.124 -4.417 -10.692 1.00 33.25 O ATOM 323 OD2 ASP A 20 11.227 -3.346 -12.593 1.00 32.33 O ATOM 0 H ASP A 20 6.305 -4.760 -11.317 1.00 53.44 H new ATOM 0 HA ASP A 20 8.768 -5.474 -12.705 1.00 43.43 H new ATOM 0 HB2 ASP A 20 8.779 -2.932 -12.394 1.00 14.42 H new ATOM 0 HB3 ASP A 20 8.761 -3.217 -10.665 1.00 14.42 H new ATOM 328 N ASP A 21 9.020 -7.081 -10.840 1.00 30.53 N ATOM 329 CA ASP A 21 9.142 -8.093 -9.785 1.00 51.14 C ATOM 330 C ASP A 21 10.175 -7.715 -8.704 1.00 74.13 C ATOM 331 O ASP A 21 10.215 -8.330 -7.636 1.00 41.34 O ATOM 332 CB ASP A 21 9.515 -9.439 -10.408 1.00 4.03 C ATOM 333 CG ASP A 21 8.512 -9.879 -11.457 1.00 23.34 C ATOM 334 OD1 ASP A 21 8.681 -9.513 -12.639 1.00 52.13 O ATOM 335 OD2 ASP A 21 7.545 -10.591 -11.104 1.00 61.54 O ATOM 0 H ASP A 21 9.383 -7.377 -11.746 1.00 30.53 H new ATOM 0 HA ASP A 21 8.174 -8.157 -9.289 1.00 51.14 H new ATOM 0 HB2 ASP A 21 10.504 -9.367 -10.860 1.00 4.03 H new ATOM 0 HB3 ASP A 21 9.576 -10.196 -9.626 1.00 4.03 H new ATOM 340 N GLY A 22 11.005 -6.710 -8.975 1.00 43.43 N ATOM 341 CA GLY A 22 12.040 -6.308 -8.022 1.00 63.33 C ATOM 342 C GLY A 22 11.879 -4.877 -7.517 1.00 5.32 C ATOM 343 O GLY A 22 12.812 -4.307 -6.940 1.00 72.24 O ATOM 0 H GLY A 22 10.983 -6.164 -9.836 1.00 43.43 H new ATOM 0 HA2 GLY A 22 12.024 -6.989 -7.171 1.00 63.33 H new ATOM 0 HA3 GLY A 22 13.017 -6.411 -8.494 1.00 63.33 H new ATOM 347 N ALA A 23 10.704 -4.288 -7.731 1.00 31.40 N ATOM 348 CA ALA A 23 10.437 -2.908 -7.306 1.00 21.32 C ATOM 349 C ALA A 23 9.484 -2.846 -6.101 1.00 61.05 C ATOM 350 O ALA A 23 8.312 -3.214 -6.203 1.00 12.03 O ATOM 351 CB ALA A 23 9.860 -2.103 -8.465 1.00 22.03 C ATOM 0 H ALA A 23 9.918 -4.742 -8.196 1.00 31.40 H new ATOM 0 HA ALA A 23 11.388 -2.475 -6.996 1.00 21.32 H new ATOM 0 HB1 ALA A 23 9.666 -1.082 -8.138 1.00 22.03 H new ATOM 0 HB2 ALA A 23 10.573 -2.091 -9.290 1.00 22.03 H new ATOM 0 HB3 ALA A 23 8.928 -2.560 -8.797 1.00 22.03 H new ATOM 357 N PRO A 24 9.975 -2.388 -4.931 1.00 3.23 N ATOM 358 CA PRO A 24 9.119 -2.139 -3.762 1.00 34.21 C ATOM 359 C PRO A 24 8.246 -0.882 -3.941 1.00 71.32 C ATOM 360 O PRO A 24 8.699 0.141 -4.466 1.00 22.44 O ATOM 361 CB PRO A 24 10.129 -1.949 -2.623 1.00 44.32 C ATOM 362 CG PRO A 24 11.361 -1.444 -3.296 1.00 2.41 C ATOM 363 CD PRO A 24 11.396 -2.103 -4.651 1.00 20.05 C ATOM 0 HA PRO A 24 8.411 -2.948 -3.585 1.00 34.21 H new ATOM 0 HB2 PRO A 24 9.762 -1.239 -1.882 1.00 44.32 H new ATOM 0 HB3 PRO A 24 10.318 -2.886 -2.100 1.00 44.32 H new ATOM 0 HG2 PRO A 24 11.336 -0.358 -3.391 1.00 2.41 H new ATOM 0 HG3 PRO A 24 12.251 -1.693 -2.718 1.00 2.41 H new ATOM 0 HD2 PRO A 24 11.830 -1.447 -5.405 1.00 20.05 H new ATOM 0 HD3 PRO A 24 11.994 -3.014 -4.639 1.00 20.05 H new ATOM 371 N VAL A 25 7.001 -0.954 -3.484 1.00 5.31 N ATOM 372 CA VAL A 25 6.044 0.145 -3.656 1.00 11.34 C ATOM 373 C VAL A 25 6.288 1.263 -2.624 1.00 74.34 C ATOM 374 O VAL A 25 6.833 1.022 -1.548 1.00 72.45 O ATOM 375 CB VAL A 25 4.588 -0.367 -3.524 1.00 32.14 C ATOM 376 CG1 VAL A 25 3.594 0.670 -4.045 1.00 41.42 C ATOM 377 CG2 VAL A 25 4.412 -1.703 -4.243 1.00 33.40 C ATOM 0 H VAL A 25 6.625 -1.763 -2.989 1.00 5.31 H new ATOM 0 HA VAL A 25 6.192 0.551 -4.657 1.00 11.34 H new ATOM 0 HB VAL A 25 4.382 -0.526 -2.465 1.00 32.14 H new ATOM 0 HG11 VAL A 25 2.579 0.286 -3.941 1.00 41.42 H new ATOM 0 HG12 VAL A 25 3.694 1.591 -3.470 1.00 41.42 H new ATOM 0 HG13 VAL A 25 3.799 0.874 -5.096 1.00 41.42 H new ATOM 0 HG21 VAL A 25 3.381 -2.041 -4.135 1.00 33.40 H new ATOM 0 HG22 VAL A 25 4.645 -1.580 -5.301 1.00 33.40 H new ATOM 0 HG23 VAL A 25 5.084 -2.442 -3.807 1.00 33.40 H new ATOM 387 N LYS A 26 5.885 2.486 -2.962 1.00 73.14 N ATOM 388 CA LYS A 26 6.117 3.645 -2.094 1.00 74.12 C ATOM 389 C LYS A 26 4.805 4.107 -1.441 1.00 42.33 C ATOM 390 O LYS A 26 3.761 4.142 -2.093 1.00 34.03 O ATOM 391 CB LYS A 26 6.734 4.811 -2.897 1.00 2.23 C ATOM 392 CG LYS A 26 7.975 4.445 -3.720 1.00 63.21 C ATOM 393 CD LYS A 26 7.628 3.640 -4.979 1.00 25.30 C ATOM 394 CE LYS A 26 8.863 3.313 -5.812 1.00 12.31 C ATOM 395 NZ LYS A 26 9.868 2.532 -5.043 1.00 33.32 N ATOM 0 H LYS A 26 5.396 2.703 -3.830 1.00 73.14 H new ATOM 0 HA LYS A 26 6.814 3.343 -1.312 1.00 74.12 H new ATOM 0 HB2 LYS A 26 5.975 5.211 -3.570 1.00 2.23 H new ATOM 0 HB3 LYS A 26 6.998 5.610 -2.204 1.00 2.23 H new ATOM 0 HG2 LYS A 26 8.498 5.357 -4.008 1.00 63.21 H new ATOM 0 HG3 LYS A 26 8.661 3.867 -3.100 1.00 63.21 H new ATOM 0 HD2 LYS A 26 7.131 2.714 -4.691 1.00 25.30 H new ATOM 0 HD3 LYS A 26 6.921 4.205 -5.586 1.00 25.30 H new ATOM 0 HE2 LYS A 26 8.564 2.748 -6.695 1.00 12.31 H new ATOM 0 HE3 LYS A 26 9.317 4.239 -6.165 1.00 12.31 H new ATOM 0 HZ1 LYS A 26 10.580 2.145 -5.695 1.00 33.32 H new ATOM 0 HZ2 LYS A 26 10.334 3.152 -4.350 1.00 33.32 H new ATOM 0 HZ3 LYS A 26 9.394 1.751 -4.545 1.00 33.32 H new ATOM 409 N THR A 27 4.863 4.468 -0.155 1.00 65.54 N ATOM 410 CA THR A 27 3.675 4.939 0.580 1.00 43.14 C ATOM 411 C THR A 27 2.975 6.102 -0.149 1.00 3.13 C ATOM 412 O THR A 27 1.764 6.067 -0.389 1.00 3.34 O ATOM 413 CB THR A 27 4.038 5.392 2.020 1.00 44.43 C ATOM 414 OG1 THR A 27 4.687 4.321 2.726 1.00 62.33 O ATOM 415 CG2 THR A 27 2.795 5.828 2.794 1.00 33.04 C ATOM 0 H THR A 27 5.717 4.445 0.402 1.00 65.54 H new ATOM 0 HA THR A 27 2.992 4.091 0.632 1.00 43.14 H new ATOM 0 HB THR A 27 4.714 6.244 1.940 1.00 44.43 H new ATOM 0 HG1 THR A 27 5.624 4.264 2.444 1.00 62.33 H new ATOM 0 HG21 THR A 27 3.082 6.139 3.798 1.00 33.04 H new ATOM 0 HG22 THR A 27 2.319 6.662 2.278 1.00 33.04 H new ATOM 0 HG23 THR A 27 2.096 4.994 2.859 1.00 33.04 H new ATOM 423 N ARG A 28 3.749 7.125 -0.509 1.00 10.31 N ATOM 424 CA ARG A 28 3.217 8.284 -1.242 1.00 55.54 C ATOM 425 C ARG A 28 2.714 7.901 -2.645 1.00 1.45 C ATOM 426 O ARG A 28 1.768 8.505 -3.160 1.00 61.13 O ATOM 427 CB ARG A 28 4.287 9.379 -1.342 1.00 2.42 C ATOM 428 CG ARG A 28 4.658 9.988 0.007 1.00 24.51 C ATOM 429 CD ARG A 28 5.698 11.092 -0.125 1.00 65.22 C ATOM 430 NE ARG A 28 5.920 11.778 1.144 1.00 65.15 N ATOM 431 CZ ARG A 28 6.782 12.737 1.324 1.00 4.15 C ATOM 432 NH1 ARG A 28 7.573 13.108 0.367 1.00 32.34 N ATOM 433 NH2 ARG A 28 6.860 13.319 2.477 1.00 24.14 N ATOM 0 H ARG A 28 4.747 7.179 -0.307 1.00 10.31 H new ATOM 0 HA ARG A 28 2.361 8.662 -0.683 1.00 55.54 H new ATOM 0 HB2 ARG A 28 5.182 8.961 -1.802 1.00 2.42 H new ATOM 0 HB3 ARG A 28 3.928 10.168 -2.002 1.00 2.42 H new ATOM 0 HG2 ARG A 28 3.762 10.390 0.480 1.00 24.51 H new ATOM 0 HG3 ARG A 28 5.042 9.207 0.663 1.00 24.51 H new ATOM 0 HD2 ARG A 28 6.637 10.667 -0.478 1.00 65.22 H new ATOM 0 HD3 ARG A 28 5.372 11.812 -0.876 1.00 65.22 H new ATOM 0 HE ARG A 28 5.361 11.486 1.946 1.00 65.15 H new ATOM 0 HH11 ARG A 28 7.525 12.647 -0.542 1.00 32.34 H new ATOM 0 HH12 ARG A 28 8.243 13.861 0.522 1.00 32.34 H new ATOM 0 HH21 ARG A 28 6.248 13.026 3.239 1.00 24.14 H new ATOM 0 HH22 ARG A 28 7.533 14.071 2.624 1.00 24.14 H new ATOM 447 N ASP A 29 3.341 6.896 -3.252 1.00 21.44 N ATOM 448 CA ASP A 29 2.937 6.414 -4.576 1.00 11.50 C ATOM 449 C ASP A 29 1.513 5.835 -4.542 1.00 61.21 C ATOM 450 O ASP A 29 0.648 6.233 -5.325 1.00 2.23 O ATOM 451 CB ASP A 29 3.935 5.363 -5.073 1.00 45.35 C ATOM 452 CG ASP A 29 3.516 4.742 -6.391 1.00 31.30 C ATOM 453 OD1 ASP A 29 3.509 5.455 -7.412 1.00 63.30 O ATOM 454 OD2 ASP A 29 3.193 3.540 -6.411 1.00 61.04 O ATOM 0 H ASP A 29 4.134 6.396 -2.849 1.00 21.44 H new ATOM 0 HA ASP A 29 2.936 7.257 -5.267 1.00 11.50 H new ATOM 0 HB2 ASP A 29 4.916 5.824 -5.188 1.00 45.35 H new ATOM 0 HB3 ASP A 29 4.037 4.580 -4.322 1.00 45.35 H new ATOM 459 N ILE A 30 1.275 4.905 -3.618 1.00 73.13 N ATOM 460 CA ILE A 30 -0.057 4.318 -3.432 1.00 32.13 C ATOM 461 C ILE A 30 -1.107 5.412 -3.169 1.00 34.13 C ATOM 462 O ILE A 30 -2.212 5.380 -3.720 1.00 73.01 O ATOM 463 CB ILE A 30 -0.072 3.314 -2.255 1.00 72.21 C ATOM 464 CG1 ILE A 30 0.990 2.225 -2.468 1.00 20.14 C ATOM 465 CG2 ILE A 30 -1.458 2.690 -2.093 1.00 45.30 C ATOM 466 CD1 ILE A 30 1.113 1.250 -1.317 1.00 51.41 C ATOM 0 H ILE A 30 1.986 4.540 -2.985 1.00 73.13 H new ATOM 0 HA ILE A 30 -0.304 3.790 -4.353 1.00 32.13 H new ATOM 0 HB ILE A 30 0.165 3.855 -1.339 1.00 72.21 H new ATOM 0 HG12 ILE A 30 0.750 1.671 -3.376 1.00 20.14 H new ATOM 0 HG13 ILE A 30 1.956 2.702 -2.631 1.00 20.14 H new ATOM 0 HG21 ILE A 30 -1.446 1.987 -1.260 1.00 45.30 H new ATOM 0 HG22 ILE A 30 -2.189 3.474 -1.896 1.00 45.30 H new ATOM 0 HG23 ILE A 30 -1.729 2.163 -3.008 1.00 45.30 H new ATOM 0 HD11 ILE A 30 1.883 0.513 -1.545 1.00 51.41 H new ATOM 0 HD12 ILE A 30 1.385 1.790 -0.410 1.00 51.41 H new ATOM 0 HD13 ILE A 30 0.160 0.743 -1.166 1.00 51.41 H new ATOM 478 N ALA A 31 -0.747 6.380 -2.326 1.00 11.54 N ATOM 479 CA ALA A 31 -1.620 7.515 -2.017 1.00 55.54 C ATOM 480 C ALA A 31 -1.991 8.314 -3.280 1.00 70.23 C ATOM 481 O ALA A 31 -3.110 8.814 -3.406 1.00 3.45 O ATOM 482 CB ALA A 31 -0.947 8.423 -0.994 1.00 73.42 C ATOM 0 H ALA A 31 0.150 6.401 -1.841 1.00 11.54 H new ATOM 0 HA ALA A 31 -2.546 7.120 -1.598 1.00 55.54 H new ATOM 0 HB1 ALA A 31 -1.601 9.265 -0.769 1.00 73.42 H new ATOM 0 HB2 ALA A 31 -0.752 7.861 -0.081 1.00 73.42 H new ATOM 0 HB3 ALA A 31 -0.006 8.794 -1.400 1.00 73.42 H new ATOM 488 N ASP A 32 -1.051 8.422 -4.216 1.00 71.35 N ATOM 489 CA ASP A 32 -1.295 9.126 -5.480 1.00 2.33 C ATOM 490 C ASP A 32 -2.189 8.291 -6.412 1.00 21.12 C ATOM 491 O ASP A 32 -3.177 8.792 -6.954 1.00 22.23 O ATOM 492 CB ASP A 32 0.038 9.449 -6.164 1.00 54.34 C ATOM 493 CG ASP A 32 -0.143 10.268 -7.429 1.00 12.22 C ATOM 494 OD1 ASP A 32 -0.585 11.431 -7.326 1.00 63.54 O ATOM 495 OD2 ASP A 32 0.163 9.761 -8.528 1.00 42.35 O ATOM 0 H ASP A 32 -0.113 8.032 -4.126 1.00 71.35 H new ATOM 0 HA ASP A 32 -1.817 10.058 -5.261 1.00 2.33 H new ATOM 0 HB2 ASP A 32 0.676 9.995 -5.469 1.00 54.34 H new ATOM 0 HB3 ASP A 32 0.553 8.520 -6.407 1.00 54.34 H new ATOM 500 N ALA A 33 -1.846 7.015 -6.580 1.00 63.34 N ATOM 501 CA ALA A 33 -2.614 6.106 -7.442 1.00 40.00 C ATOM 502 C ALA A 33 -4.046 5.881 -6.918 1.00 32.44 C ATOM 503 O ALA A 33 -4.963 5.602 -7.693 1.00 70.22 O ATOM 504 CB ALA A 33 -1.889 4.770 -7.578 1.00 42.01 C ATOM 0 H ALA A 33 -1.039 6.582 -6.131 1.00 63.34 H new ATOM 0 HA ALA A 33 -2.694 6.577 -8.422 1.00 40.00 H new ATOM 0 HB1 ALA A 33 -2.468 4.105 -8.219 1.00 42.01 H new ATOM 0 HB2 ALA A 33 -0.905 4.933 -8.019 1.00 42.01 H new ATOM 0 HB3 ALA A 33 -1.775 4.316 -6.594 1.00 42.01 H new ATOM 510 N ALA A 34 -4.224 5.984 -5.602 1.00 53.44 N ATOM 511 CA ALA A 34 -5.546 5.829 -4.978 1.00 31.12 C ATOM 512 C ALA A 34 -6.258 7.178 -4.776 1.00 40.04 C ATOM 513 O ALA A 34 -7.488 7.240 -4.729 1.00 22.01 O ATOM 514 CB ALA A 34 -5.411 5.111 -3.639 1.00 44.25 C ATOM 0 H ALA A 34 -3.470 6.175 -4.942 1.00 53.44 H new ATOM 0 HA ALA A 34 -6.156 5.234 -5.658 1.00 31.12 H new ATOM 0 HB1 ALA A 34 -6.396 5.001 -3.184 1.00 44.25 H new ATOM 0 HB2 ALA A 34 -4.972 4.126 -3.797 1.00 44.25 H new ATOM 0 HB3 ALA A 34 -4.769 5.692 -2.977 1.00 44.25 H new ATOM 520 N GLY A 35 -5.483 8.254 -4.649 1.00 23.31 N ATOM 521 CA GLY A 35 -6.053 9.571 -4.371 1.00 73.10 C ATOM 522 C GLY A 35 -6.393 9.767 -2.894 1.00 41.43 C ATOM 523 O GLY A 35 -7.338 10.481 -2.551 1.00 12.02 O ATOM 0 H GLY A 35 -4.467 8.241 -4.733 1.00 23.31 H new ATOM 0 HA2 GLY A 35 -5.347 10.341 -4.682 1.00 73.10 H new ATOM 0 HA3 GLY A 35 -6.955 9.705 -4.968 1.00 73.10 H new ATOM 527 N LEU A 36 -5.617 9.129 -2.020 1.00 53.33 N ATOM 528 CA LEU A 36 -5.846 9.192 -0.567 1.00 3.03 C ATOM 529 C LEU A 36 -4.681 9.890 0.156 1.00 62.32 C ATOM 530 O LEU A 36 -3.625 10.131 -0.433 1.00 60.45 O ATOM 531 CB LEU A 36 -6.033 7.774 -0.009 1.00 10.11 C ATOM 532 CG LEU A 36 -7.216 6.981 -0.594 1.00 44.43 C ATOM 533 CD1 LEU A 36 -7.261 5.566 -0.017 1.00 63.12 C ATOM 534 CD2 LEU A 36 -8.537 7.710 -0.341 1.00 44.30 C ATOM 0 H LEU A 36 -4.817 8.557 -2.290 1.00 53.33 H new ATOM 0 HA LEU A 36 -6.749 9.777 -0.392 1.00 3.03 H new ATOM 0 HB2 LEU A 36 -5.117 7.210 -0.185 1.00 10.11 H new ATOM 0 HB3 LEU A 36 -6.163 7.842 1.071 1.00 10.11 H new ATOM 0 HG LEU A 36 -7.071 6.904 -1.672 1.00 44.43 H new ATOM 0 HD11 LEU A 36 -8.105 5.025 -0.445 1.00 63.12 H new ATOM 0 HD12 LEU A 36 -6.335 5.045 -0.260 1.00 63.12 H new ATOM 0 HD13 LEU A 36 -7.375 5.618 1.066 1.00 63.12 H new ATOM 0 HD21 LEU A 36 -9.359 7.131 -0.763 1.00 44.30 H new ATOM 0 HD22 LEU A 36 -8.689 7.826 0.732 1.00 44.30 H new ATOM 0 HD23 LEU A 36 -8.506 8.693 -0.812 1.00 44.30 H new ATOM 546 N SER A 37 -4.874 10.202 1.437 1.00 42.25 N ATOM 547 CA SER A 37 -3.847 10.894 2.232 1.00 11.43 C ATOM 548 C SER A 37 -2.868 9.905 2.883 1.00 41.01 C ATOM 549 O SER A 37 -3.231 8.772 3.208 1.00 50.41 O ATOM 550 CB SER A 37 -4.491 11.768 3.312 1.00 43.03 C ATOM 551 OG SER A 37 -3.502 12.446 4.071 1.00 62.32 O ATOM 0 H SER A 37 -5.729 9.989 1.951 1.00 42.25 H new ATOM 0 HA SER A 37 -3.286 11.528 1.545 1.00 11.43 H new ATOM 0 HB2 SER A 37 -5.159 12.493 2.848 1.00 43.03 H new ATOM 0 HB3 SER A 37 -5.100 11.149 3.971 1.00 43.03 H new ATOM 0 HG SER A 37 -3.761 12.451 5.016 1.00 62.32 H new ATOM 557 N ILE A 38 -1.635 10.362 3.104 1.00 3.23 N ATOM 558 CA ILE A 38 -0.544 9.493 3.570 1.00 60.20 C ATOM 559 C ILE A 38 -0.860 8.795 4.905 1.00 53.33 C ATOM 560 O ILE A 38 -0.685 7.579 5.031 1.00 21.54 O ATOM 561 CB ILE A 38 0.782 10.286 3.719 1.00 34.11 C ATOM 562 CG1 ILE A 38 1.125 11.006 2.405 1.00 31.50 C ATOM 563 CG2 ILE A 38 1.926 9.363 4.143 1.00 12.14 C ATOM 564 CD1 ILE A 38 1.272 10.080 1.215 1.00 33.21 C ATOM 0 H ILE A 38 -1.362 11.335 2.968 1.00 3.23 H new ATOM 0 HA ILE A 38 -0.434 8.725 2.804 1.00 60.20 H new ATOM 0 HB ILE A 38 0.647 11.034 4.500 1.00 34.11 H new ATOM 0 HG12 ILE A 38 0.346 11.737 2.189 1.00 31.50 H new ATOM 0 HG13 ILE A 38 2.054 11.560 2.538 1.00 31.50 H new ATOM 0 HG21 ILE A 38 2.844 9.943 4.241 1.00 12.14 H new ATOM 0 HG22 ILE A 38 1.685 8.901 5.100 1.00 12.14 H new ATOM 0 HG23 ILE A 38 2.065 8.587 3.391 1.00 12.14 H new ATOM 0 HD11 ILE A 38 1.514 10.664 0.327 1.00 33.21 H new ATOM 0 HD12 ILE A 38 2.071 9.364 1.407 1.00 33.21 H new ATOM 0 HD13 ILE A 38 0.337 9.544 1.053 1.00 33.21 H new ATOM 576 N TYR A 39 -1.324 9.558 5.895 1.00 50.13 N ATOM 577 CA TYR A 39 -1.576 9.011 7.236 1.00 3.22 C ATOM 578 C TYR A 39 -2.554 7.826 7.196 1.00 74.53 C ATOM 579 O TYR A 39 -2.381 6.844 7.914 1.00 15.31 O ATOM 580 CB TYR A 39 -2.098 10.097 8.196 1.00 12.22 C ATOM 581 CG TYR A 39 -3.515 10.579 7.919 1.00 33.15 C ATOM 582 CD1 TYR A 39 -3.758 11.615 7.023 1.00 61.33 C ATOM 583 CD2 TYR A 39 -4.608 10.012 8.569 1.00 42.43 C ATOM 584 CE1 TYR A 39 -5.042 12.069 6.784 1.00 12.33 C ATOM 585 CE2 TYR A 39 -5.895 10.457 8.331 1.00 64.10 C ATOM 586 CZ TYR A 39 -6.107 11.485 7.438 1.00 21.42 C ATOM 587 OH TYR A 39 -7.389 11.942 7.206 1.00 24.23 O ATOM 0 H TYR A 39 -1.533 10.552 5.799 1.00 50.13 H new ATOM 0 HA TYR A 39 -0.620 8.647 7.611 1.00 3.22 H new ATOM 0 HB2 TYR A 39 -2.055 9.710 9.214 1.00 12.22 H new ATOM 0 HB3 TYR A 39 -1.425 10.953 8.151 1.00 12.22 H new ATOM 0 HD1 TYR A 39 -2.929 12.073 6.505 1.00 61.33 H new ATOM 0 HD2 TYR A 39 -4.447 9.209 9.273 1.00 42.43 H new ATOM 0 HE1 TYR A 39 -5.210 12.878 6.088 1.00 12.33 H new ATOM 0 HE2 TYR A 39 -6.730 10.001 8.842 1.00 64.10 H new ATOM 0 HH TYR A 39 -8.023 11.424 7.744 1.00 24.23 H new ATOM 597 N GLN A 40 -3.569 7.922 6.341 1.00 25.43 N ATOM 598 CA GLN A 40 -4.578 6.864 6.217 1.00 62.40 C ATOM 599 C GLN A 40 -4.025 5.661 5.436 1.00 51.53 C ATOM 600 O GLN A 40 -4.159 4.506 5.862 1.00 54.14 O ATOM 601 CB GLN A 40 -5.833 7.425 5.531 1.00 1.34 C ATOM 602 CG GLN A 40 -6.984 6.431 5.434 1.00 11.10 C ATOM 603 CD GLN A 40 -8.267 7.069 4.929 1.00 1.24 C ATOM 604 OE1 GLN A 40 -8.533 7.109 3.732 1.00 20.51 O ATOM 605 NE2 GLN A 40 -9.068 7.584 5.837 1.00 65.33 N ATOM 0 H GLN A 40 -3.718 8.719 5.723 1.00 25.43 H new ATOM 0 HA GLN A 40 -4.843 6.516 7.215 1.00 62.40 H new ATOM 0 HB2 GLN A 40 -6.171 8.304 6.079 1.00 1.34 H new ATOM 0 HB3 GLN A 40 -5.568 7.757 4.527 1.00 1.34 H new ATOM 0 HG2 GLN A 40 -6.701 5.617 4.767 1.00 11.10 H new ATOM 0 HG3 GLN A 40 -7.163 5.991 6.415 1.00 11.10 H new ATOM 0 HE21 GLN A 40 -8.818 7.534 6.825 1.00 65.33 H new ATOM 0 HE22 GLN A 40 -9.939 8.033 5.553 1.00 65.33 H new ATOM 614 N VAL A 41 -3.384 5.941 4.302 1.00 11.04 N ATOM 615 CA VAL A 41 -2.782 4.892 3.470 1.00 65.33 C ATOM 616 C VAL A 41 -1.795 4.026 4.275 1.00 1.33 C ATOM 617 O VAL A 41 -1.857 2.794 4.232 1.00 64.55 O ATOM 618 CB VAL A 41 -2.055 5.497 2.243 1.00 31.21 C ATOM 619 CG1 VAL A 41 -1.333 4.413 1.440 1.00 52.01 C ATOM 620 CG2 VAL A 41 -3.039 6.257 1.357 1.00 72.33 C ATOM 0 H VAL A 41 -3.266 6.886 3.935 1.00 11.04 H new ATOM 0 HA VAL A 41 -3.599 4.259 3.123 1.00 65.33 H new ATOM 0 HB VAL A 41 -1.306 6.199 2.609 1.00 31.21 H new ATOM 0 HG11 VAL A 41 -0.832 4.867 0.585 1.00 52.01 H new ATOM 0 HG12 VAL A 41 -0.595 3.921 2.074 1.00 52.01 H new ATOM 0 HG13 VAL A 41 -2.057 3.678 1.088 1.00 52.01 H new ATOM 0 HG21 VAL A 41 -2.510 6.675 0.501 1.00 72.33 H new ATOM 0 HG22 VAL A 41 -3.815 5.576 1.007 1.00 72.33 H new ATOM 0 HG23 VAL A 41 -3.496 7.064 1.930 1.00 72.33 H new ATOM 630 N ARG A 42 -0.894 4.669 5.021 1.00 51.32 N ATOM 631 CA ARG A 42 0.100 3.935 5.813 1.00 44.12 C ATOM 632 C ARG A 42 -0.555 3.116 6.939 1.00 11.54 C ATOM 633 O ARG A 42 -0.028 2.081 7.334 1.00 64.15 O ATOM 634 CB ARG A 42 1.159 4.876 6.405 1.00 43.33 C ATOM 635 CG ARG A 42 0.615 5.868 7.429 1.00 53.12 C ATOM 636 CD ARG A 42 1.725 6.461 8.288 1.00 71.24 C ATOM 637 NE ARG A 42 2.383 5.438 9.103 1.00 61.30 N ATOM 638 CZ ARG A 42 2.725 5.597 10.353 1.00 20.44 C ATOM 639 NH1 ARG A 42 2.535 6.725 10.954 1.00 4.33 N ATOM 640 NH2 ARG A 42 3.267 4.619 11.004 1.00 22.21 N ATOM 0 H ARG A 42 -0.830 5.684 5.094 1.00 51.32 H new ATOM 0 HA ARG A 42 0.591 3.245 5.127 1.00 44.12 H new ATOM 0 HB2 ARG A 42 1.938 4.277 6.875 1.00 43.33 H new ATOM 0 HB3 ARG A 42 1.630 5.431 5.593 1.00 43.33 H new ATOM 0 HG2 ARG A 42 0.087 6.670 6.913 1.00 53.12 H new ATOM 0 HG3 ARG A 42 -0.112 5.368 8.069 1.00 53.12 H new ATOM 0 HD2 ARG A 42 2.462 6.945 7.647 1.00 71.24 H new ATOM 0 HD3 ARG A 42 1.310 7.232 8.937 1.00 71.24 H new ATOM 0 HE ARG A 42 2.588 4.540 8.665 1.00 61.30 H new ATOM 0 HH11 ARG A 42 2.113 7.506 10.452 1.00 4.33 H new ATOM 0 HH12 ARG A 42 2.807 6.835 11.931 1.00 4.33 H new ATOM 0 HH21 ARG A 42 3.427 3.724 10.541 1.00 22.21 H new ATOM 0 HH22 ARG A 42 3.534 4.743 11.981 1.00 22.21 H new ATOM 654 N LEU A 43 -1.696 3.578 7.461 1.00 13.12 N ATOM 655 CA LEU A 43 -2.429 2.811 8.480 1.00 24.01 C ATOM 656 C LEU A 43 -2.819 1.433 7.939 1.00 61.33 C ATOM 657 O LEU A 43 -2.570 0.409 8.581 1.00 61.14 O ATOM 658 CB LEU A 43 -3.681 3.570 8.949 1.00 12.44 C ATOM 659 CG LEU A 43 -3.415 4.781 9.861 1.00 32.44 C ATOM 660 CD1 LEU A 43 -4.714 5.525 10.165 1.00 41.21 C ATOM 661 CD2 LEU A 43 -2.725 4.342 11.153 1.00 10.44 C ATOM 0 H LEU A 43 -2.129 4.465 7.202 1.00 13.12 H new ATOM 0 HA LEU A 43 -1.769 2.678 9.337 1.00 24.01 H new ATOM 0 HB2 LEU A 43 -4.229 3.911 8.071 1.00 12.44 H new ATOM 0 HB3 LEU A 43 -4.331 2.873 9.479 1.00 12.44 H new ATOM 0 HG LEU A 43 -2.749 5.465 9.335 1.00 32.44 H new ATOM 0 HD11 LEU A 43 -4.503 6.377 10.811 1.00 41.21 H new ATOM 0 HD12 LEU A 43 -5.158 5.877 9.234 1.00 41.21 H new ATOM 0 HD13 LEU A 43 -5.409 4.853 10.667 1.00 41.21 H new ATOM 0 HD21 LEU A 43 -2.546 5.213 11.784 1.00 10.44 H new ATOM 0 HD22 LEU A 43 -3.362 3.635 11.684 1.00 10.44 H new ATOM 0 HD23 LEU A 43 -1.774 3.865 10.914 1.00 10.44 H new ATOM 673 N TYR A 44 -3.410 1.412 6.746 1.00 4.32 N ATOM 674 CA TYR A 44 -3.762 0.148 6.085 1.00 62.44 C ATOM 675 C TYR A 44 -2.510 -0.704 5.811 1.00 74.02 C ATOM 676 O TYR A 44 -2.440 -1.866 6.208 1.00 34.21 O ATOM 677 CB TYR A 44 -4.513 0.409 4.771 1.00 12.10 C ATOM 678 CG TYR A 44 -5.879 1.049 4.955 1.00 21.40 C ATOM 679 CD1 TYR A 44 -6.942 0.321 5.481 1.00 42.20 C ATOM 680 CD2 TYR A 44 -6.110 2.373 4.596 1.00 43.02 C ATOM 681 CE1 TYR A 44 -8.190 0.892 5.641 1.00 10.41 C ATOM 682 CE2 TYR A 44 -7.355 2.951 4.755 1.00 11.44 C ATOM 683 CZ TYR A 44 -8.392 2.206 5.279 1.00 72.53 C ATOM 684 OH TYR A 44 -9.635 2.778 5.431 1.00 72.42 O ATOM 0 H TYR A 44 -3.656 2.248 6.216 1.00 4.32 H new ATOM 0 HA TYR A 44 -4.415 -0.404 6.761 1.00 62.44 H new ATOM 0 HB2 TYR A 44 -3.903 1.054 4.138 1.00 12.10 H new ATOM 0 HB3 TYR A 44 -4.634 -0.535 4.240 1.00 12.10 H new ATOM 0 HD1 TYR A 44 -6.789 -0.708 5.769 1.00 42.20 H new ATOM 0 HD2 TYR A 44 -5.302 2.960 4.186 1.00 43.02 H new ATOM 0 HE1 TYR A 44 -9.004 0.311 6.048 1.00 10.41 H new ATOM 0 HE2 TYR A 44 -7.516 3.980 4.471 1.00 11.44 H new ATOM 0 HH TYR A 44 -9.605 3.710 5.129 1.00 72.42 H new ATOM 694 N LEU A 45 -1.520 -0.107 5.146 1.00 42.33 N ATOM 695 CA LEU A 45 -0.273 -0.807 4.784 1.00 73.10 C ATOM 696 C LEU A 45 0.428 -1.427 6.007 1.00 72.11 C ATOM 697 O LEU A 45 0.797 -2.604 6.004 1.00 22.01 O ATOM 698 CB LEU A 45 0.689 0.174 4.094 1.00 74.31 C ATOM 699 CG LEU A 45 0.176 0.790 2.783 1.00 21.31 C ATOM 700 CD1 LEU A 45 1.136 1.865 2.289 1.00 44.12 C ATOM 701 CD2 LEU A 45 -0.018 -0.291 1.722 1.00 62.21 C ATOM 0 H LEU A 45 -1.552 0.866 4.843 1.00 42.33 H new ATOM 0 HA LEU A 45 -0.542 -1.619 4.108 1.00 73.10 H new ATOM 0 HB2 LEU A 45 0.918 0.981 4.790 1.00 74.31 H new ATOM 0 HB3 LEU A 45 1.625 -0.345 3.889 1.00 74.31 H new ATOM 0 HG LEU A 45 -0.791 1.256 2.975 1.00 21.31 H new ATOM 0 HD11 LEU A 45 0.758 2.291 1.360 1.00 44.12 H new ATOM 0 HD12 LEU A 45 1.221 2.650 3.040 1.00 44.12 H new ATOM 0 HD13 LEU A 45 2.117 1.424 2.113 1.00 44.12 H new ATOM 0 HD21 LEU A 45 -0.382 0.164 0.801 1.00 62.21 H new ATOM 0 HD22 LEU A 45 0.933 -0.788 1.530 1.00 62.21 H new ATOM 0 HD23 LEU A 45 -0.744 -1.022 2.076 1.00 62.21 H new ATOM 713 N GLU A 46 0.600 -0.622 7.047 1.00 22.21 N ATOM 714 CA GLU A 46 1.332 -1.033 8.248 1.00 34.01 C ATOM 715 C GLU A 46 0.624 -2.177 8.994 1.00 21.32 C ATOM 716 O GLU A 46 1.269 -3.124 9.455 1.00 4.03 O ATOM 717 CB GLU A 46 1.520 0.181 9.165 1.00 43.33 C ATOM 718 CG GLU A 46 2.424 -0.065 10.365 1.00 62.34 C ATOM 719 CD GLU A 46 2.719 1.217 11.125 1.00 0.24 C ATOM 720 OE1 GLU A 46 1.918 1.587 12.007 1.00 14.33 O ATOM 721 OE2 GLU A 46 3.742 1.874 10.822 1.00 53.54 O ATOM 0 H GLU A 46 0.240 0.331 7.087 1.00 22.21 H new ATOM 0 HA GLU A 46 2.306 -1.415 7.942 1.00 34.01 H new ATOM 0 HB2 GLU A 46 1.932 1.002 8.579 1.00 43.33 H new ATOM 0 HB3 GLU A 46 0.543 0.504 9.523 1.00 43.33 H new ATOM 0 HG2 GLU A 46 1.951 -0.783 11.035 1.00 62.34 H new ATOM 0 HG3 GLU A 46 3.360 -0.511 10.029 1.00 62.34 H new ATOM 728 N GLN A 47 -0.703 -2.096 9.104 1.00 75.25 N ATOM 729 CA GLN A 47 -1.484 -3.169 9.737 1.00 10.24 C ATOM 730 C GLN A 47 -1.475 -4.441 8.870 1.00 60.15 C ATOM 731 O GLN A 47 -1.337 -5.553 9.384 1.00 41.32 O ATOM 732 CB GLN A 47 -2.928 -2.712 10.006 1.00 34.24 C ATOM 733 CG GLN A 47 -3.038 -1.563 11.009 1.00 64.35 C ATOM 734 CD GLN A 47 -2.469 -1.903 12.378 1.00 35.32 C ATOM 735 OE1 GLN A 47 -2.482 -3.053 12.812 1.00 41.03 O ATOM 736 NE2 GLN A 47 -1.961 -0.903 13.074 1.00 44.32 N ATOM 0 H GLN A 47 -1.258 -1.309 8.768 1.00 75.25 H new ATOM 0 HA GLN A 47 -1.015 -3.403 10.693 1.00 10.24 H new ATOM 0 HB2 GLN A 47 -3.382 -2.404 9.064 1.00 34.24 H new ATOM 0 HB3 GLN A 47 -3.504 -3.560 10.376 1.00 34.24 H new ATOM 0 HG2 GLN A 47 -2.516 -0.692 10.612 1.00 64.35 H new ATOM 0 HG3 GLN A 47 -4.086 -1.284 11.118 1.00 64.35 H new ATOM 0 HE21 GLN A 47 -1.964 0.041 12.687 1.00 44.32 H new ATOM 0 HE22 GLN A 47 -1.565 -1.074 13.998 1.00 44.32 H new ATOM 745 N LEU A 48 -1.603 -4.268 7.550 1.00 34.03 N ATOM 746 CA LEU A 48 -1.509 -5.395 6.611 1.00 22.13 C ATOM 747 C LEU A 48 -0.143 -6.091 6.717 1.00 12.21 C ATOM 748 O LEU A 48 -0.034 -7.297 6.505 1.00 52.04 O ATOM 749 CB LEU A 48 -1.761 -4.935 5.165 1.00 30.24 C ATOM 750 CG LEU A 48 -3.205 -4.505 4.850 1.00 55.44 C ATOM 751 CD1 LEU A 48 -3.318 -4.011 3.408 1.00 3.34 C ATOM 752 CD2 LEU A 48 -4.179 -5.656 5.104 1.00 61.44 C ATOM 0 H LEU A 48 -1.771 -3.364 7.108 1.00 34.03 H new ATOM 0 HA LEU A 48 -2.283 -6.113 6.883 1.00 22.13 H new ATOM 0 HB2 LEU A 48 -1.096 -4.100 4.946 1.00 30.24 H new ATOM 0 HB3 LEU A 48 -1.486 -5.746 4.491 1.00 30.24 H new ATOM 0 HG LEU A 48 -3.469 -3.682 5.515 1.00 55.44 H new ATOM 0 HD11 LEU A 48 -4.346 -3.712 3.205 1.00 3.34 H new ATOM 0 HD12 LEU A 48 -2.656 -3.157 3.263 1.00 3.34 H new ATOM 0 HD13 LEU A 48 -3.032 -4.811 2.726 1.00 3.34 H new ATOM 0 HD21 LEU A 48 -5.194 -5.331 4.875 1.00 61.44 H new ATOM 0 HD22 LEU A 48 -3.917 -6.502 4.468 1.00 61.44 H new ATOM 0 HD23 LEU A 48 -4.122 -5.957 6.150 1.00 61.44 H new ATOM 764 N HIS A 49 0.899 -5.329 7.042 1.00 12.24 N ATOM 765 CA HIS A 49 2.215 -5.917 7.311 1.00 41.34 C ATOM 766 C HIS A 49 2.185 -6.775 8.581 1.00 73.13 C ATOM 767 O HIS A 49 2.651 -7.917 8.587 1.00 41.50 O ATOM 768 CB HIS A 49 3.289 -4.830 7.461 1.00 1.21 C ATOM 769 CG HIS A 49 4.627 -5.380 7.873 1.00 41.14 C ATOM 770 ND1 HIS A 49 5.047 -5.443 9.183 1.00 23.54 N ATOM 771 CD2 HIS A 49 5.623 -5.921 7.140 1.00 70.43 C ATOM 772 CE1 HIS A 49 6.239 -6.001 9.236 1.00 41.32 C ATOM 773 NE2 HIS A 49 6.611 -6.303 8.010 1.00 22.34 N ATOM 0 H HIS A 49 0.862 -4.313 7.126 1.00 12.24 H new ATOM 0 HA HIS A 49 2.465 -6.548 6.458 1.00 41.34 H new ATOM 0 HB2 HIS A 49 3.396 -4.299 6.515 1.00 1.21 H new ATOM 0 HB3 HIS A 49 2.959 -4.100 8.200 1.00 1.21 H new ATOM 0 HD2 HIS A 49 5.639 -6.032 6.066 1.00 70.43 H new ATOM 0 HE1 HIS A 49 6.813 -6.180 10.133 1.00 41.32 H new ATOM 0 HE2 HIS A 49 7.491 -6.749 7.750 1.00 22.34 H new ATOM 782 N ASP A 50 1.629 -6.217 9.651 1.00 32.31 N ATOM 783 CA ASP A 50 1.600 -6.882 10.954 1.00 51.31 C ATOM 784 C ASP A 50 0.849 -8.230 10.897 1.00 43.43 C ATOM 785 O ASP A 50 1.203 -9.181 11.600 1.00 62.04 O ATOM 786 CB ASP A 50 0.959 -5.950 11.991 1.00 2.50 C ATOM 787 CG ASP A 50 1.190 -6.412 13.417 1.00 23.30 C ATOM 788 OD1 ASP A 50 2.302 -6.190 13.944 1.00 71.42 O ATOM 789 OD2 ASP A 50 0.265 -6.987 14.022 1.00 32.22 O ATOM 0 H ASP A 50 1.188 -5.297 9.643 1.00 32.31 H new ATOM 0 HA ASP A 50 2.627 -7.101 11.246 1.00 51.31 H new ATOM 0 HB2 ASP A 50 1.363 -4.945 11.869 1.00 2.50 H new ATOM 0 HB3 ASP A 50 -0.113 -5.887 11.803 1.00 2.50 H new ATOM 794 N VAL A 51 -0.181 -8.311 10.052 1.00 45.42 N ATOM 795 CA VAL A 51 -0.973 -9.546 9.909 1.00 12.34 C ATOM 796 C VAL A 51 -0.408 -10.500 8.831 1.00 15.40 C ATOM 797 O VAL A 51 -0.981 -11.558 8.569 1.00 73.33 O ATOM 798 CB VAL A 51 -2.456 -9.228 9.591 1.00 23.14 C ATOM 799 CG1 VAL A 51 -3.087 -8.410 10.717 1.00 32.20 C ATOM 800 CG2 VAL A 51 -2.586 -8.501 8.255 1.00 3.41 C ATOM 0 H VAL A 51 -0.489 -7.543 9.456 1.00 45.42 H new ATOM 0 HA VAL A 51 -0.908 -10.055 10.871 1.00 12.34 H new ATOM 0 HB VAL A 51 -2.994 -10.173 9.513 1.00 23.14 H new ATOM 0 HG11 VAL A 51 -4.128 -8.198 10.473 1.00 32.20 H new ATOM 0 HG12 VAL A 51 -3.040 -8.975 11.648 1.00 32.20 H new ATOM 0 HG13 VAL A 51 -2.544 -7.472 10.834 1.00 32.20 H new ATOM 0 HG21 VAL A 51 -3.637 -8.290 8.056 1.00 3.41 H new ATOM 0 HG22 VAL A 51 -2.029 -7.565 8.294 1.00 3.41 H new ATOM 0 HG23 VAL A 51 -2.185 -9.128 7.459 1.00 3.41 H new ATOM 810 N GLY A 52 0.708 -10.124 8.201 1.00 2.13 N ATOM 811 CA GLY A 52 1.384 -11.023 7.255 1.00 44.55 C ATOM 812 C GLY A 52 0.891 -10.922 5.807 1.00 34.12 C ATOM 813 O GLY A 52 1.094 -11.842 5.012 1.00 53.21 O ATOM 0 H GLY A 52 1.159 -9.218 8.324 1.00 2.13 H new ATOM 0 HA2 GLY A 52 2.453 -10.811 7.275 1.00 44.55 H new ATOM 0 HA3 GLY A 52 1.256 -12.050 7.597 1.00 44.55 H new ATOM 817 N VAL A 53 0.234 -9.818 5.460 1.00 1.05 N ATOM 818 CA VAL A 53 -0.196 -9.575 4.073 1.00 75.22 C ATOM 819 C VAL A 53 0.905 -8.859 3.271 1.00 63.22 C ATOM 820 O VAL A 53 1.253 -9.269 2.156 1.00 43.32 O ATOM 821 CB VAL A 53 -1.497 -8.730 4.030 1.00 54.31 C ATOM 822 CG1 VAL A 53 -1.872 -8.365 2.593 1.00 44.12 C ATOM 823 CG2 VAL A 53 -2.643 -9.473 4.717 1.00 63.23 C ATOM 0 H VAL A 53 -0.015 -9.075 6.113 1.00 1.05 H new ATOM 0 HA VAL A 53 -0.391 -10.547 3.620 1.00 75.22 H new ATOM 0 HB VAL A 53 -1.314 -7.802 4.572 1.00 54.31 H new ATOM 0 HG11 VAL A 53 -2.787 -7.773 2.595 1.00 44.12 H new ATOM 0 HG12 VAL A 53 -1.066 -7.785 2.143 1.00 44.12 H new ATOM 0 HG13 VAL A 53 -2.030 -9.276 2.016 1.00 44.12 H new ATOM 0 HG21 VAL A 53 -3.547 -8.865 4.677 1.00 63.23 H new ATOM 0 HG22 VAL A 53 -2.820 -10.420 4.207 1.00 63.23 H new ATOM 0 HG23 VAL A 53 -2.381 -9.665 5.757 1.00 63.23 H new ATOM 833 N LEU A 54 1.458 -7.795 3.849 1.00 61.20 N ATOM 834 CA LEU A 54 2.510 -7.006 3.192 1.00 33.30 C ATOM 835 C LEU A 54 3.842 -7.101 3.951 1.00 12.52 C ATOM 836 O LEU A 54 3.866 -7.313 5.161 1.00 4.12 O ATOM 837 CB LEU A 54 2.088 -5.530 3.102 1.00 4.54 C ATOM 838 CG LEU A 54 0.776 -5.252 2.349 1.00 40.35 C ATOM 839 CD1 LEU A 54 0.431 -3.767 2.398 1.00 61.20 C ATOM 840 CD2 LEU A 54 0.862 -5.732 0.903 1.00 43.42 C ATOM 0 H LEU A 54 1.197 -7.454 4.774 1.00 61.20 H new ATOM 0 HA LEU A 54 2.649 -7.416 2.192 1.00 33.30 H new ATOM 0 HB2 LEU A 54 1.994 -5.137 4.114 1.00 4.54 H new ATOM 0 HB3 LEU A 54 2.889 -4.972 2.616 1.00 4.54 H new ATOM 0 HG LEU A 54 -0.019 -5.809 2.845 1.00 40.35 H new ATOM 0 HD11 LEU A 54 -0.500 -3.592 1.860 1.00 61.20 H new ATOM 0 HD12 LEU A 54 0.314 -3.455 3.436 1.00 61.20 H new ATOM 0 HD13 LEU A 54 1.232 -3.192 1.934 1.00 61.20 H new ATOM 0 HD21 LEU A 54 -0.079 -5.523 0.394 1.00 43.42 H new ATOM 0 HD22 LEU A 54 1.673 -5.211 0.394 1.00 43.42 H new ATOM 0 HD23 LEU A 54 1.053 -6.805 0.887 1.00 43.42 H new ATOM 852 N GLU A 55 4.948 -6.943 3.230 1.00 53.53 N ATOM 853 CA GLU A 55 6.277 -6.881 3.848 1.00 23.41 C ATOM 854 C GLU A 55 6.841 -5.452 3.759 1.00 0.41 C ATOM 855 O GLU A 55 6.523 -4.708 2.830 1.00 63.22 O ATOM 856 CB GLU A 55 7.233 -7.876 3.171 1.00 73.55 C ATOM 857 CG GLU A 55 8.616 -7.946 3.815 1.00 3.20 C ATOM 858 CD GLU A 55 8.565 -8.412 5.263 1.00 52.23 C ATOM 859 OE1 GLU A 55 8.547 -9.637 5.499 1.00 30.54 O ATOM 860 OE2 GLU A 55 8.540 -7.548 6.173 1.00 15.15 O ATOM 0 H GLU A 55 4.954 -6.855 2.214 1.00 53.53 H new ATOM 0 HA GLU A 55 6.183 -7.154 4.899 1.00 23.41 H new ATOM 0 HB2 GLU A 55 6.783 -8.868 3.193 1.00 73.55 H new ATOM 0 HB3 GLU A 55 7.345 -7.600 2.123 1.00 73.55 H new ATOM 0 HG2 GLU A 55 9.246 -8.625 3.241 1.00 3.20 H new ATOM 0 HG3 GLU A 55 9.084 -6.962 3.770 1.00 3.20 H new ATOM 867 N LYS A 56 7.667 -5.064 4.729 1.00 63.25 N ATOM 868 CA LYS A 56 8.240 -3.713 4.756 1.00 2.13 C ATOM 869 C LYS A 56 9.672 -3.704 4.192 1.00 64.21 C ATOM 870 O LYS A 56 10.469 -4.602 4.463 1.00 23.41 O ATOM 871 CB LYS A 56 8.183 -3.129 6.188 1.00 43.23 C ATOM 872 CG LYS A 56 8.840 -3.989 7.282 1.00 34.30 C ATOM 873 CD LYS A 56 10.344 -3.742 7.407 1.00 43.41 C ATOM 874 CE LYS A 56 10.657 -2.310 7.829 1.00 11.13 C ATOM 875 NZ LYS A 56 12.115 -2.038 7.822 1.00 74.43 N ATOM 0 H LYS A 56 7.955 -5.660 5.505 1.00 63.25 H new ATOM 0 HA LYS A 56 7.639 -3.072 4.111 1.00 2.13 H new ATOM 0 HB2 LYS A 56 8.664 -2.151 6.182 1.00 43.23 H new ATOM 0 HB3 LYS A 56 7.138 -2.969 6.455 1.00 43.23 H new ATOM 0 HG2 LYS A 56 8.361 -3.780 8.239 1.00 34.30 H new ATOM 0 HG3 LYS A 56 8.666 -5.043 7.063 1.00 34.30 H new ATOM 0 HD2 LYS A 56 10.765 -4.435 8.136 1.00 43.41 H new ATOM 0 HD3 LYS A 56 10.826 -3.952 6.452 1.00 43.41 H new ATOM 0 HE2 LYS A 56 10.155 -1.615 7.156 1.00 11.13 H new ATOM 0 HE3 LYS A 56 10.259 -2.130 8.828 1.00 11.13 H new ATOM 0 HZ1 LYS A 56 12.286 -1.055 8.114 1.00 74.43 H new ATOM 0 HZ2 LYS A 56 12.592 -2.684 8.483 1.00 74.43 H new ATOM 0 HZ3 LYS A 56 12.491 -2.184 6.863 1.00 74.43 H new ATOM 889 N VAL A 57 9.981 -2.693 3.385 1.00 13.15 N ATOM 890 CA VAL A 57 11.294 -2.582 2.738 1.00 21.54 C ATOM 891 C VAL A 57 12.004 -1.271 3.120 1.00 2.04 C ATOM 892 O VAL A 57 11.405 -0.193 3.093 1.00 71.54 O ATOM 893 CB VAL A 57 11.158 -2.661 1.194 1.00 34.44 C ATOM 894 CG1 VAL A 57 12.516 -2.518 0.513 1.00 45.11 C ATOM 895 CG2 VAL A 57 10.478 -3.964 0.776 1.00 54.33 C ATOM 0 H VAL A 57 9.339 -1.933 3.160 1.00 13.15 H new ATOM 0 HA VAL A 57 11.895 -3.420 3.091 1.00 21.54 H new ATOM 0 HB VAL A 57 10.532 -1.829 0.871 1.00 34.44 H new ATOM 0 HG11 VAL A 57 12.389 -2.577 -0.568 1.00 45.11 H new ATOM 0 HG12 VAL A 57 12.955 -1.555 0.775 1.00 45.11 H new ATOM 0 HG13 VAL A 57 13.176 -3.319 0.845 1.00 45.11 H new ATOM 0 HG21 VAL A 57 10.393 -3.998 -0.310 1.00 54.33 H new ATOM 0 HG22 VAL A 57 11.072 -4.811 1.120 1.00 54.33 H new ATOM 0 HG23 VAL A 57 9.483 -4.014 1.219 1.00 54.33 H new ATOM 905 N ASN A 58 13.280 -1.376 3.487 1.00 33.32 N ATOM 906 CA ASN A 58 14.097 -0.203 3.816 1.00 2.55 C ATOM 907 C ASN A 58 15.583 -0.501 3.548 1.00 22.10 C ATOM 908 O ASN A 58 16.250 -1.163 4.347 1.00 20.33 O ATOM 909 CB ASN A 58 13.881 0.212 5.280 1.00 51.03 C ATOM 910 CG ASN A 58 14.584 1.514 5.624 1.00 42.25 C ATOM 911 OD1 ASN A 58 15.725 1.524 6.060 1.00 15.34 O ATOM 912 ND2 ASN A 58 13.905 2.624 5.416 1.00 51.24 N ATOM 0 H ASN A 58 13.775 -2.265 3.565 1.00 33.32 H new ATOM 0 HA ASN A 58 13.789 0.627 3.180 1.00 2.55 H new ATOM 0 HB2 ASN A 58 12.813 0.318 5.471 1.00 51.03 H new ATOM 0 HB3 ASN A 58 14.245 -0.579 5.936 1.00 51.03 H new ATOM 0 HD21 ASN A 58 14.331 3.528 5.620 1.00 51.24 H new ATOM 0 HD22 ASN A 58 12.954 2.579 5.051 1.00 51.24 H new ATOM 919 N ALA A 59 16.087 -0.011 2.413 1.00 32.23 N ATOM 920 CA ALA A 59 17.452 -0.312 1.957 1.00 5.11 C ATOM 921 C ALA A 59 18.535 0.111 2.963 1.00 43.31 C ATOM 922 O ALA A 59 19.610 -0.493 3.016 1.00 21.21 O ATOM 923 CB ALA A 59 17.709 0.348 0.606 1.00 34.24 C ATOM 0 H ALA A 59 15.567 0.602 1.785 1.00 32.23 H new ATOM 0 HA ALA A 59 17.518 -1.396 1.863 1.00 5.11 H new ATOM 0 HB1 ALA A 59 18.723 0.119 0.276 1.00 34.24 H new ATOM 0 HB2 ALA A 59 16.995 -0.031 -0.126 1.00 34.24 H new ATOM 0 HB3 ALA A 59 17.593 1.428 0.701 1.00 34.24 H new ATOM 929 N GLY A 60 18.262 1.145 3.753 1.00 73.23 N ATOM 930 CA GLY A 60 19.246 1.629 4.715 1.00 25.01 C ATOM 931 C GLY A 60 18.760 2.821 5.532 1.00 5.22 C ATOM 932 O GLY A 60 17.769 3.468 5.179 1.00 43.43 O ATOM 0 H GLY A 60 17.380 1.658 3.747 1.00 73.23 H new ATOM 0 HA2 GLY A 60 19.510 0.817 5.393 1.00 25.01 H new ATOM 0 HA3 GLY A 60 20.155 1.909 4.183 1.00 25.01 H new ATOM 936 N LYS A 61 19.464 3.121 6.622 1.00 5.45 N ATOM 937 CA LYS A 61 19.113 4.249 7.490 1.00 42.51 C ATOM 938 C LYS A 61 19.187 5.580 6.722 1.00 64.40 C ATOM 939 O LYS A 61 20.265 6.154 6.540 1.00 51.13 O ATOM 940 CB LYS A 61 20.034 4.282 8.721 1.00 22.31 C ATOM 941 CG LYS A 61 19.942 3.031 9.594 1.00 11.11 C ATOM 942 CD LYS A 61 18.537 2.834 10.163 1.00 14.51 C ATOM 943 CE LYS A 61 18.438 1.570 11.011 1.00 33.20 C ATOM 944 NZ LYS A 61 17.074 1.385 11.572 1.00 42.35 N ATOM 0 H LYS A 61 20.284 2.598 6.928 1.00 5.45 H new ATOM 0 HA LYS A 61 18.085 4.113 7.827 1.00 42.51 H new ATOM 0 HB2 LYS A 61 21.065 4.407 8.389 1.00 22.31 H new ATOM 0 HB3 LYS A 61 19.786 5.155 9.325 1.00 22.31 H new ATOM 0 HG2 LYS A 61 20.221 2.157 9.006 1.00 11.11 H new ATOM 0 HG3 LYS A 61 20.658 3.106 10.413 1.00 11.11 H new ATOM 0 HD2 LYS A 61 18.266 3.699 10.768 1.00 14.51 H new ATOM 0 HD3 LYS A 61 17.819 2.779 9.345 1.00 14.51 H new ATOM 0 HE2 LYS A 61 18.702 0.704 10.404 1.00 33.20 H new ATOM 0 HE3 LYS A 61 19.161 1.621 11.825 1.00 33.20 H new ATOM 0 HZ1 LYS A 61 17.048 0.515 12.142 1.00 42.35 H new ATOM 0 HZ2 LYS A 61 16.832 2.199 12.172 1.00 42.35 H new ATOM 0 HZ3 LYS A 61 16.386 1.311 10.795 1.00 42.35 H new ATOM 958 N GLY A 62 18.032 6.041 6.247 1.00 62.53 N ATOM 959 CA GLY A 62 17.964 7.267 5.459 1.00 10.44 C ATOM 960 C GLY A 62 16.916 7.198 4.350 1.00 42.31 C ATOM 961 O GLY A 62 16.321 8.213 3.985 1.00 55.10 O ATOM 0 H GLY A 62 17.132 5.584 6.394 1.00 62.53 H new ATOM 0 HA2 GLY A 62 17.735 8.105 6.118 1.00 10.44 H new ATOM 0 HA3 GLY A 62 18.941 7.465 5.018 1.00 10.44 H new ATOM 965 N VAL A 63 16.685 6.001 3.812 1.00 22.21 N ATOM 966 CA VAL A 63 15.687 5.809 2.751 1.00 52.20 C ATOM 967 C VAL A 63 14.262 5.715 3.337 1.00 55.23 C ATOM 968 O VAL A 63 14.089 5.377 4.511 1.00 42.52 O ATOM 969 CB VAL A 63 15.993 4.541 1.910 1.00 30.00 C ATOM 970 CG1 VAL A 63 17.408 4.598 1.338 1.00 45.33 C ATOM 971 CG2 VAL A 63 15.780 3.269 2.726 1.00 40.54 C ATOM 0 H VAL A 63 17.172 5.149 4.090 1.00 22.21 H new ATOM 0 HA VAL A 63 15.741 6.680 2.098 1.00 52.20 H new ATOM 0 HB VAL A 63 15.292 4.516 1.076 1.00 30.00 H new ATOM 0 HG11 VAL A 63 17.600 3.699 0.752 1.00 45.33 H new ATOM 0 HG12 VAL A 63 17.507 5.475 0.699 1.00 45.33 H new ATOM 0 HG13 VAL A 63 18.128 4.660 2.154 1.00 45.33 H new ATOM 0 HG21 VAL A 63 16.003 2.399 2.108 1.00 40.54 H new ATOM 0 HG22 VAL A 63 16.441 3.278 3.593 1.00 40.54 H new ATOM 0 HG23 VAL A 63 14.744 3.221 3.061 1.00 40.54 H new ATOM 981 N PRO A 64 13.220 6.022 2.533 1.00 53.03 N ATOM 982 CA PRO A 64 11.819 6.001 3.001 1.00 64.03 C ATOM 983 C PRO A 64 11.300 4.591 3.340 1.00 45.20 C ATOM 984 O PRO A 64 11.925 3.579 3.008 1.00 62.45 O ATOM 985 CB PRO A 64 11.041 6.585 1.810 1.00 61.51 C ATOM 986 CG PRO A 64 11.900 6.302 0.624 1.00 12.03 C ATOM 987 CD PRO A 64 13.318 6.422 1.113 1.00 73.12 C ATOM 0 HA PRO A 64 11.706 6.558 3.931 1.00 64.03 H new ATOM 0 HB2 PRO A 64 10.061 6.119 1.710 1.00 61.51 H new ATOM 0 HB3 PRO A 64 10.874 7.655 1.932 1.00 61.51 H new ATOM 0 HG2 PRO A 64 11.705 5.305 0.228 1.00 12.03 H new ATOM 0 HG3 PRO A 64 11.702 7.009 -0.181 1.00 12.03 H new ATOM 0 HD2 PRO A 64 13.992 5.771 0.557 1.00 73.12 H new ATOM 0 HD3 PRO A 64 13.696 7.439 1.006 1.00 73.12 H new ATOM 995 N GLY A 65 10.150 4.538 4.014 1.00 23.44 N ATOM 996 CA GLY A 65 9.518 3.266 4.336 1.00 30.45 C ATOM 997 C GLY A 65 8.746 2.680 3.158 1.00 3.30 C ATOM 998 O GLY A 65 7.601 3.058 2.904 1.00 52.21 O ATOM 0 H GLY A 65 9.643 5.359 4.344 1.00 23.44 H new ATOM 0 HA2 GLY A 65 10.281 2.556 4.655 1.00 30.45 H new ATOM 0 HA3 GLY A 65 8.839 3.404 5.178 1.00 30.45 H new ATOM 1002 N LEU A 66 9.379 1.761 2.433 1.00 41.41 N ATOM 1003 CA LEU A 66 8.762 1.129 1.261 1.00 52.01 C ATOM 1004 C LEU A 66 7.960 -0.123 1.650 1.00 44.42 C ATOM 1005 O LEU A 66 8.120 -0.662 2.745 1.00 1.44 O ATOM 1006 CB LEU A 66 9.847 0.763 0.240 1.00 33.11 C ATOM 1007 CG LEU A 66 10.753 1.930 -0.196 1.00 71.15 C ATOM 1008 CD1 LEU A 66 11.819 1.457 -1.181 1.00 0.35 C ATOM 1009 CD2 LEU A 66 9.928 3.066 -0.797 1.00 5.31 C ATOM 0 H LEU A 66 10.324 1.434 2.635 1.00 41.41 H new ATOM 0 HA LEU A 66 8.067 1.843 0.818 1.00 52.01 H new ATOM 0 HB2 LEU A 66 10.472 -0.023 0.663 1.00 33.11 H new ATOM 0 HB3 LEU A 66 9.366 0.346 -0.645 1.00 33.11 H new ATOM 0 HG LEU A 66 11.258 2.310 0.692 1.00 71.15 H new ATOM 0 HD11 LEU A 66 12.445 2.300 -1.473 1.00 0.35 H new ATOM 0 HD12 LEU A 66 12.437 0.693 -0.709 1.00 0.35 H new ATOM 0 HD13 LEU A 66 11.338 1.040 -2.065 1.00 0.35 H new ATOM 0 HD21 LEU A 66 10.591 3.878 -1.097 1.00 5.31 H new ATOM 0 HD22 LEU A 66 9.385 2.700 -1.668 1.00 5.31 H new ATOM 0 HD23 LEU A 66 9.218 3.432 -0.055 1.00 5.31 H new ATOM 1021 N TRP A 67 7.102 -0.588 0.744 1.00 23.41 N ATOM 1022 CA TRP A 67 6.250 -1.756 1.006 1.00 63.43 C ATOM 1023 C TRP A 67 6.312 -2.765 -0.152 1.00 20.33 C ATOM 1024 O TRP A 67 6.585 -2.399 -1.293 1.00 40.25 O ATOM 1025 CB TRP A 67 4.796 -1.318 1.225 1.00 51.44 C ATOM 1026 CG TRP A 67 4.638 -0.298 2.315 1.00 13.41 C ATOM 1027 CD1 TRP A 67 4.577 1.059 2.162 1.00 21.23 C ATOM 1028 CD2 TRP A 67 4.540 -0.549 3.722 1.00 25.44 C ATOM 1029 NE1 TRP A 67 4.440 1.661 3.387 1.00 62.51 N ATOM 1030 CE2 TRP A 67 4.414 0.700 4.360 1.00 63.24 C ATOM 1031 CE3 TRP A 67 4.544 -1.707 4.507 1.00 42.32 C ATOM 1032 CZ2 TRP A 67 4.293 0.824 5.741 1.00 20.53 C ATOM 1033 CZ3 TRP A 67 4.424 -1.583 5.879 1.00 74.35 C ATOM 1034 CH2 TRP A 67 4.300 -0.325 6.483 1.00 41.44 C ATOM 0 H TRP A 67 6.975 -0.176 -0.180 1.00 23.41 H new ATOM 0 HA TRP A 67 6.624 -2.241 1.908 1.00 63.43 H new ATOM 0 HB2 TRP A 67 4.404 -0.908 0.294 1.00 51.44 H new ATOM 0 HB3 TRP A 67 4.193 -2.193 1.467 1.00 51.44 H new ATOM 0 HD1 TRP A 67 4.629 1.580 1.217 1.00 21.23 H new ATOM 0 HE1 TRP A 67 4.369 2.666 3.547 1.00 62.51 H new ATOM 0 HE3 TRP A 67 4.639 -2.681 4.049 1.00 42.32 H new ATOM 0 HZ2 TRP A 67 4.197 1.792 6.210 1.00 20.53 H new ATOM 0 HZ3 TRP A 67 4.426 -2.470 6.495 1.00 74.35 H new ATOM 0 HH2 TRP A 67 4.208 -0.261 7.557 1.00 41.44 H new ATOM 1045 N ARG A 68 6.054 -4.031 0.150 1.00 0.42 N ATOM 1046 CA ARG A 68 6.068 -5.092 -0.864 1.00 13.21 C ATOM 1047 C ARG A 68 5.392 -6.369 -0.335 1.00 74.31 C ATOM 1048 O ARG A 68 5.848 -6.955 0.641 1.00 11.31 O ATOM 1049 CB ARG A 68 7.519 -5.382 -1.289 1.00 64.32 C ATOM 1050 CG ARG A 68 7.672 -6.588 -2.211 1.00 2.04 C ATOM 1051 CD ARG A 68 9.110 -6.757 -2.693 1.00 52.44 C ATOM 1052 NE ARG A 68 9.304 -8.025 -3.397 1.00 73.35 N ATOM 1053 CZ ARG A 68 9.219 -8.180 -4.694 1.00 24.24 C ATOM 1054 NH1 ARG A 68 8.965 -7.174 -5.467 1.00 62.43 N ATOM 1055 NH2 ARG A 68 9.391 -9.351 -5.215 1.00 11.33 N ATOM 0 H ARG A 68 5.831 -4.355 1.091 1.00 0.42 H new ATOM 0 HA ARG A 68 5.503 -4.754 -1.733 1.00 13.21 H new ATOM 0 HB2 ARG A 68 7.921 -4.502 -1.791 1.00 64.32 H new ATOM 0 HB3 ARG A 68 8.122 -5.543 -0.395 1.00 64.32 H new ATOM 0 HG2 ARG A 68 7.357 -7.489 -1.685 1.00 2.04 H new ATOM 0 HG3 ARG A 68 7.012 -6.474 -3.071 1.00 2.04 H new ATOM 0 HD2 ARG A 68 9.371 -5.931 -3.355 1.00 52.44 H new ATOM 0 HD3 ARG A 68 9.787 -6.708 -1.840 1.00 52.44 H new ATOM 0 HE ARG A 68 9.521 -8.849 -2.836 1.00 73.35 H new ATOM 0 HH11 ARG A 68 8.828 -6.246 -5.067 1.00 62.43 H new ATOM 0 HH12 ARG A 68 8.902 -7.309 -6.476 1.00 62.43 H new ATOM 0 HH21 ARG A 68 9.592 -10.151 -4.616 1.00 11.33 H new ATOM 0 HH22 ARG A 68 9.325 -9.474 -6.225 1.00 11.33 H new ATOM 1069 N LEU A 69 4.295 -6.790 -0.969 1.00 30.13 N ATOM 1070 CA LEU A 69 3.585 -8.007 -0.546 1.00 50.34 C ATOM 1071 C LEU A 69 4.455 -9.262 -0.723 1.00 50.35 C ATOM 1072 O LEU A 69 5.370 -9.288 -1.549 1.00 32.10 O ATOM 1073 CB LEU A 69 2.242 -8.148 -1.301 1.00 63.40 C ATOM 1074 CG LEU A 69 2.302 -8.133 -2.846 1.00 44.33 C ATOM 1075 CD1 LEU A 69 2.772 -9.474 -3.405 1.00 65.33 C ATOM 1076 CD2 LEU A 69 0.939 -7.757 -3.429 1.00 71.45 C ATOM 0 H LEU A 69 3.880 -6.314 -1.770 1.00 30.13 H new ATOM 0 HA LEU A 69 3.369 -7.911 0.518 1.00 50.34 H new ATOM 0 HB2 LEU A 69 1.774 -9.082 -0.989 1.00 63.40 H new ATOM 0 HB3 LEU A 69 1.586 -7.339 -0.979 1.00 63.40 H new ATOM 0 HG LEU A 69 3.032 -7.380 -3.142 1.00 44.33 H new ATOM 0 HD11 LEU A 69 2.801 -9.424 -4.493 1.00 65.33 H new ATOM 0 HD12 LEU A 69 3.769 -9.697 -3.025 1.00 65.33 H new ATOM 0 HD13 LEU A 69 2.082 -10.259 -3.096 1.00 65.33 H new ATOM 0 HD21 LEU A 69 0.998 -7.751 -4.517 1.00 71.45 H new ATOM 0 HD22 LEU A 69 0.193 -8.485 -3.110 1.00 71.45 H new ATOM 0 HD23 LEU A 69 0.653 -6.766 -3.076 1.00 71.45 H new ATOM 1088 N LEU A 70 4.160 -10.299 0.056 1.00 13.54 N ATOM 1089 CA LEU A 70 4.926 -11.553 0.007 1.00 74.23 C ATOM 1090 C LEU A 70 4.011 -12.752 -0.299 1.00 63.55 C ATOM 1091 O LEU A 70 4.409 -13.911 -0.149 1.00 12.43 O ATOM 1092 CB LEU A 70 5.686 -11.785 1.330 1.00 44.33 C ATOM 1093 CG LEU A 70 4.821 -11.953 2.599 1.00 32.21 C ATOM 1094 CD1 LEU A 70 5.616 -12.654 3.700 1.00 15.01 C ATOM 1095 CD2 LEU A 70 4.302 -10.605 3.109 1.00 13.22 C ATOM 0 H LEU A 70 3.396 -10.301 0.732 1.00 13.54 H new ATOM 0 HA LEU A 70 5.653 -11.464 -0.800 1.00 74.23 H new ATOM 0 HB2 LEU A 70 6.304 -12.676 1.217 1.00 44.33 H new ATOM 0 HB3 LEU A 70 6.363 -10.945 1.487 1.00 44.33 H new ATOM 0 HG LEU A 70 3.962 -12.567 2.330 1.00 32.21 H new ATOM 0 HD11 LEU A 70 4.991 -12.764 4.586 1.00 15.01 H new ATOM 0 HD12 LEU A 70 5.929 -13.639 3.352 1.00 15.01 H new ATOM 0 HD13 LEU A 70 6.496 -12.060 3.948 1.00 15.01 H new ATOM 0 HD21 LEU A 70 3.698 -10.762 4.002 1.00 13.22 H new ATOM 0 HD22 LEU A 70 5.145 -9.958 3.351 1.00 13.22 H new ATOM 0 HD23 LEU A 70 3.693 -10.134 2.337 1.00 13.22 H new ATOM 1107 N GLU A 71 2.791 -12.458 -0.739 1.00 71.41 N ATOM 1108 CA GLU A 71 1.801 -13.488 -1.077 1.00 3.42 C ATOM 1109 C GLU A 71 0.756 -12.938 -2.068 1.00 31.34 C ATOM 1110 O GLU A 71 0.778 -13.343 -3.253 1.00 37.43 O ATOM 1111 CB GLU A 71 1.115 -14.014 0.200 1.00 23.14 C ATOM 1112 CG GLU A 71 0.005 -15.025 -0.071 1.00 53.41 C ATOM 1113 CD GLU A 71 -0.531 -15.677 1.196 1.00 74.24 C ATOM 1114 OE1 GLU A 71 -1.024 -14.955 2.092 1.00 14.14 O ATOM 1115 OE2 GLU A 71 -0.455 -16.921 1.309 1.00 31.34 O ATOM 0 H GLU A 71 2.457 -11.504 -0.873 1.00 71.41 H new ATOM 0 HA GLU A 71 2.320 -14.318 -1.558 1.00 3.42 H new ATOM 0 HB2 GLU A 71 1.866 -14.476 0.841 1.00 23.14 H new ATOM 0 HB3 GLU A 71 0.699 -13.171 0.752 1.00 23.14 H new ATOM 0 HG2 GLU A 71 -0.814 -14.526 -0.590 1.00 53.41 H new ATOM 0 HG3 GLU A 71 0.382 -15.799 -0.739 1.00 53.41 H new TER 1122 GLU A 71