USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 523 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+ 167:sc= -0.0793 (180deg=-0.28) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 179:sc= 0 (180deg=-0.0015) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= -0.0396 (180deg=-0.274) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.335 F(o=-1.6,f=-0.34) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 35 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc=-0.00547 USER MOD Single : A 54 THR OG1 : rot 83:sc= -0.146 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl -172:sc= -0.963 (180deg=-1.38) USER MOD Single : A 60 THR OG1 : rot 66:sc= 0.533 USER MOD Single : A 65 GLN : amide:sc= -2.55 K(o=-2.6,f=-4.4!) USER MOD Single : A 70 SER OG : rot 170:sc= -0.685 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -2.03 F(o=-2.8!,f=-2) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.556 8.126 -9.842 1.00 0.00 N ATOM 2 CA MET A 1 -12.705 7.015 -8.907 1.00 0.00 C ATOM 3 C MET A 1 -12.204 5.714 -9.527 1.00 0.00 C ATOM 4 O MET A 1 -12.675 4.631 -9.181 1.00 0.00 O ATOM 5 CB MET A 1 -14.168 6.865 -8.488 1.00 0.00 C ATOM 6 CG MET A 1 -14.344 6.433 -7.041 1.00 0.00 C ATOM 7 SD MET A 1 -14.193 7.807 -5.883 1.00 0.00 S ATOM 8 CE MET A 1 -15.036 7.137 -4.452 1.00 0.00 C ATOM 0 H1 MET A 1 -13.095 8.945 -9.496 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.551 8.381 -9.921 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.916 7.844 -10.776 1.00 0.00 H new ATOM 0 HA MET A 1 -12.104 7.232 -8.024 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.680 7.815 -8.640 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.651 6.135 -9.138 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.322 5.968 -6.921 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.599 5.675 -6.799 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.027 7.872 -3.647 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.067 6.900 -4.715 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.528 6.231 -4.122 1.00 0.00 H new ATOM 16 N ALA A 2 -11.249 5.828 -10.443 1.00 0.00 N ATOM 17 CA ALA A 2 -10.685 4.661 -11.109 1.00 0.00 C ATOM 18 C ALA A 2 -9.327 4.295 -10.519 1.00 0.00 C ATOM 19 O ALA A 2 -8.441 5.142 -10.406 1.00 0.00 O ATOM 20 CB ALA A 2 -10.562 4.915 -12.604 1.00 0.00 C ATOM 0 H ALA A 2 -10.849 6.718 -10.741 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.360 3.820 -10.949 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.139 4.035 -13.089 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.548 5.120 -13.021 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.910 5.772 -12.775 1.00 0.00 H new ATOM 26 N ARG A 3 -9.173 3.030 -10.142 1.00 0.00 N ATOM 27 CA ARG A 3 -7.923 2.553 -9.562 1.00 0.00 C ATOM 28 C ARG A 3 -7.980 1.049 -9.310 1.00 0.00 C ATOM 29 O ARG A 3 -9.007 0.411 -9.532 1.00 0.00 O ATOM 30 CB ARG A 3 -7.630 3.290 -8.253 1.00 0.00 C ATOM 31 CG ARG A 3 -8.735 3.154 -7.218 1.00 0.00 C ATOM 32 CD ARG A 3 -9.537 4.440 -7.088 1.00 0.00 C ATOM 33 NE ARG A 3 -8.743 5.526 -6.520 1.00 0.00 N ATOM 34 CZ ARG A 3 -9.273 6.600 -5.945 1.00 0.00 C ATOM 35 NH1 ARG A 3 -10.589 6.731 -5.863 1.00 0.00 N ATOM 36 NH2 ARG A 3 -8.484 7.546 -5.450 1.00 0.00 N ATOM 0 H ARG A 3 -9.898 2.317 -10.228 1.00 0.00 H new ATOM 0 HA ARG A 3 -7.121 2.755 -10.272 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.700 2.909 -7.831 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -7.473 4.347 -8.468 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.399 2.336 -7.498 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.301 2.895 -6.252 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.907 4.737 -8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -10.409 4.261 -6.459 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.726 5.456 -6.567 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -11.198 6.006 -6.242 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.993 7.557 -5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -7.471 7.448 -5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.891 8.370 -5.009 1.00 0.00 H new ATOM 47 N GLY A 4 -6.867 0.490 -8.843 1.00 0.00 N ATOM 48 CA GLY A 4 -6.812 -0.934 -8.569 1.00 0.00 C ATOM 49 C GLY A 4 -7.855 -1.372 -7.561 1.00 0.00 C ATOM 50 O GLY A 4 -8.694 -0.575 -7.141 1.00 0.00 O ATOM 0 H GLY A 4 -6.004 0.998 -8.650 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.956 -1.485 -9.498 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.821 -1.191 -8.196 1.00 0.00 H new ATOM 54 N SER A 5 -7.807 -2.643 -7.176 1.00 0.00 N ATOM 55 CA SER A 5 -8.760 -3.187 -6.214 1.00 0.00 C ATOM 56 C SER A 5 -8.403 -4.626 -5.852 1.00 0.00 C ATOM 57 O SER A 5 -7.981 -5.407 -6.705 1.00 0.00 O ATOM 58 CB SER A 5 -10.179 -3.128 -6.783 1.00 0.00 C ATOM 59 OG SER A 5 -10.272 -3.855 -7.996 1.00 0.00 O ATOM 0 H SER A 5 -7.119 -3.316 -7.515 1.00 0.00 H new ATOM 0 HA SER A 5 -8.714 -2.581 -5.309 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.883 -3.535 -6.057 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.463 -2.090 -6.955 1.00 0.00 H new ATOM 0 HG SER A 5 -11.189 -3.804 -8.339 1.00 0.00 H new ATOM 64 N VAL A 6 -8.577 -4.969 -4.579 1.00 0.00 N ATOM 65 CA VAL A 6 -8.276 -6.313 -4.102 1.00 0.00 C ATOM 66 C VAL A 6 -9.553 -7.082 -3.782 1.00 0.00 C ATOM 67 O VAL A 6 -10.550 -6.499 -3.356 1.00 0.00 O ATOM 68 CB VAL A 6 -7.383 -6.277 -2.848 1.00 0.00 C ATOM 69 CG1 VAL A 6 -5.932 -6.034 -3.233 1.00 0.00 C ATOM 70 CG2 VAL A 6 -7.872 -5.212 -1.878 1.00 0.00 C ATOM 0 H VAL A 6 -8.925 -4.334 -3.860 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.741 -6.821 -4.905 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.444 -7.245 -2.351 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.316 -6.012 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.590 -6.836 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.849 -5.080 -3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.230 -5.200 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.841 -4.236 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.896 -5.436 -1.578 1.00 0.00 H new ATOM 80 N SER A 7 -9.516 -8.394 -3.990 1.00 0.00 N ATOM 81 CA SER A 7 -10.671 -9.243 -3.726 1.00 0.00 C ATOM 82 C SER A 7 -11.226 -8.987 -2.328 1.00 0.00 C ATOM 83 O SER A 7 -10.569 -8.365 -1.492 1.00 0.00 O ATOM 84 CB SER A 7 -10.293 -10.718 -3.874 1.00 0.00 C ATOM 85 OG SER A 7 -11.200 -11.394 -4.728 1.00 0.00 O ATOM 0 H SER A 7 -8.698 -8.892 -4.341 1.00 0.00 H new ATOM 0 HA SER A 7 -11.443 -8.999 -4.455 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.282 -10.799 -4.274 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.287 -11.195 -2.894 1.00 0.00 H new ATOM 0 HG SER A 7 -10.936 -12.334 -4.807 1.00 0.00 H new ATOM 90 N ASP A 8 -12.439 -9.470 -2.082 1.00 0.00 N ATOM 91 CA ASP A 8 -13.083 -9.295 -0.785 1.00 0.00 C ATOM 92 C ASP A 8 -12.166 -9.758 0.344 1.00 0.00 C ATOM 93 O ASP A 8 -11.943 -9.031 1.311 1.00 0.00 O ATOM 94 CB ASP A 8 -14.401 -10.070 -0.737 1.00 0.00 C ATOM 95 CG ASP A 8 -15.607 -9.170 -0.924 1.00 0.00 C ATOM 96 OD1 ASP A 8 -16.350 -9.370 -1.909 1.00 0.00 O ATOM 97 OD2 ASP A 8 -15.809 -8.268 -0.086 1.00 0.00 O ATOM 0 H ASP A 8 -12.996 -9.986 -2.763 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.289 -8.233 -0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.398 -10.835 -1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.481 -10.587 0.219 1.00 0.00 H new ATOM 101 N GLU A 9 -11.640 -10.972 0.212 1.00 0.00 N ATOM 102 CA GLU A 9 -10.750 -11.531 1.223 1.00 0.00 C ATOM 103 C GLU A 9 -9.618 -10.560 1.547 1.00 0.00 C ATOM 104 O GLU A 9 -9.470 -10.122 2.688 1.00 0.00 O ATOM 105 CB GLU A 9 -10.171 -12.864 0.742 1.00 0.00 C ATOM 106 CG GLU A 9 -10.945 -14.076 1.236 1.00 0.00 C ATOM 107 CD GLU A 9 -10.632 -15.330 0.444 1.00 0.00 C ATOM 108 OE1 GLU A 9 -10.565 -16.416 1.056 1.00 0.00 O ATOM 109 OE2 GLU A 9 -10.455 -15.226 -0.787 1.00 0.00 O ATOM 0 H GLU A 9 -11.814 -11.586 -0.584 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.331 -11.701 2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.156 -12.872 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.136 -12.943 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.713 -14.247 2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.014 -13.870 1.175 1.00 0.00 H new ATOM 114 N GLU A 10 -8.820 -10.231 0.536 1.00 0.00 N ATOM 115 CA GLU A 10 -7.701 -9.313 0.714 1.00 0.00 C ATOM 116 C GLU A 10 -8.180 -7.965 1.242 1.00 0.00 C ATOM 117 O GLU A 10 -7.765 -7.523 2.313 1.00 0.00 O ATOM 118 CB GLU A 10 -6.956 -9.120 -0.608 1.00 0.00 C ATOM 119 CG GLU A 10 -5.686 -9.947 -0.719 1.00 0.00 C ATOM 120 CD GLU A 10 -5.923 -11.419 -0.441 1.00 0.00 C ATOM 121 OE1 GLU A 10 -6.068 -12.189 -1.413 1.00 0.00 O ATOM 122 OE2 GLU A 10 -5.962 -11.800 0.748 1.00 0.00 O ATOM 0 H GLU A 10 -8.927 -10.586 -0.414 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.021 -9.748 1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.621 -9.380 -1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.704 -8.066 -0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.268 -9.833 -1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.944 -9.563 -0.018 1.00 0.00 H new ATOM 127 N MET A 11 -9.057 -7.316 0.483 1.00 0.00 N ATOM 128 CA MET A 11 -9.594 -6.018 0.874 1.00 0.00 C ATOM 129 C MET A 11 -9.828 -5.959 2.380 1.00 0.00 C ATOM 130 O MET A 11 -9.494 -4.969 3.030 1.00 0.00 O ATOM 131 CB MET A 11 -10.903 -5.739 0.132 1.00 0.00 C ATOM 132 CG MET A 11 -11.234 -4.260 0.018 1.00 0.00 C ATOM 133 SD MET A 11 -11.229 -3.677 -1.688 1.00 0.00 S ATOM 134 CE MET A 11 -10.094 -2.296 -1.572 1.00 0.00 C ATOM 0 H MET A 11 -9.411 -7.668 -0.407 1.00 0.00 H new ATOM 0 HA MET A 11 -8.863 -5.255 0.607 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.842 -6.167 -0.868 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.718 -6.247 0.647 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.214 -4.076 0.458 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.512 -3.684 0.597 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.973 -1.841 -2.555 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.491 -1.556 -0.876 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.127 -2.649 -1.214 1.00 0.00 H new ATOM 142 N MET A 12 -10.403 -7.024 2.928 1.00 0.00 N ATOM 143 CA MET A 12 -10.679 -7.092 4.359 1.00 0.00 C ATOM 144 C MET A 12 -9.383 -7.166 5.159 1.00 0.00 C ATOM 145 O MET A 12 -9.210 -6.446 6.143 1.00 0.00 O ATOM 146 CB MET A 12 -11.557 -8.305 4.673 1.00 0.00 C ATOM 147 CG MET A 12 -13.047 -8.009 4.612 1.00 0.00 C ATOM 148 SD MET A 12 -13.625 -7.063 6.034 1.00 0.00 S ATOM 149 CE MET A 12 -14.986 -8.087 6.591 1.00 0.00 C ATOM 0 H MET A 12 -10.687 -7.852 2.404 1.00 0.00 H new ATOM 0 HA MET A 12 -11.210 -6.184 4.646 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.324 -9.104 3.969 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.309 -8.675 5.668 1.00 0.00 H new ATOM 0 HG2 MET A 12 -13.267 -7.456 3.699 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.598 -8.948 4.556 1.00 0.00 H new ATOM 0 HE1 MET A 12 -15.448 -7.633 7.468 1.00 0.00 H new ATOM 0 HE2 MET A 12 -15.726 -8.173 5.795 1.00 0.00 H new ATOM 0 HE3 MET A 12 -14.614 -9.078 6.849 1.00 0.00 H new ATOM 157 N GLU A 13 -8.478 -8.041 4.733 1.00 0.00 N ATOM 158 CA GLU A 13 -7.198 -8.208 5.413 1.00 0.00 C ATOM 159 C GLU A 13 -6.319 -6.974 5.230 1.00 0.00 C ATOM 160 O GLU A 13 -5.943 -6.316 6.201 1.00 0.00 O ATOM 161 CB GLU A 13 -6.473 -9.447 4.885 1.00 0.00 C ATOM 162 CG GLU A 13 -6.909 -10.740 5.557 1.00 0.00 C ATOM 163 CD GLU A 13 -7.518 -11.727 4.581 1.00 0.00 C ATOM 164 OE1 GLU A 13 -8.490 -12.413 4.962 1.00 0.00 O ATOM 165 OE2 GLU A 13 -7.025 -11.813 3.437 1.00 0.00 O ATOM 0 H GLU A 13 -8.607 -8.645 3.921 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.395 -8.337 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.646 -9.529 3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.400 -9.318 5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.049 -11.200 6.044 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.634 -10.513 6.338 1.00 0.00 H new ATOM 170 N LEU A 14 -5.995 -6.668 3.979 1.00 0.00 N ATOM 171 CA LEU A 14 -5.160 -5.512 3.667 1.00 0.00 C ATOM 172 C LEU A 14 -5.625 -4.280 4.435 1.00 0.00 C ATOM 173 O LEU A 14 -4.819 -3.572 5.038 1.00 0.00 O ATOM 174 CB LEU A 14 -5.185 -5.232 2.163 1.00 0.00 C ATOM 175 CG LEU A 14 -5.131 -6.457 1.250 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.877 -6.038 -0.190 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.058 -7.428 1.723 1.00 0.00 C ATOM 0 H LEU A 14 -6.297 -7.203 3.165 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.138 -5.740 3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.092 -4.673 1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.342 -4.586 1.920 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.095 -6.963 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.842 -6.923 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.681 -5.382 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.926 -5.508 -0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.034 -8.294 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.087 -6.933 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.284 -7.753 2.738 1.00 0.00 H new ATOM 188 N ARG A 15 -6.930 -4.031 4.408 1.00 0.00 N ATOM 189 CA ARG A 15 -7.503 -2.884 5.103 1.00 0.00 C ATOM 190 C ARG A 15 -7.339 -3.026 6.613 1.00 0.00 C ATOM 191 O ARG A 15 -6.990 -2.067 7.302 1.00 0.00 O ATOM 192 CB ARG A 15 -8.984 -2.737 4.752 1.00 0.00 C ATOM 193 CG ARG A 15 -9.700 -1.670 5.564 1.00 0.00 C ATOM 194 CD ARG A 15 -11.070 -2.144 6.024 1.00 0.00 C ATOM 195 NE ARG A 15 -12.148 -1.357 5.431 1.00 0.00 N ATOM 196 CZ ARG A 15 -13.428 -1.502 5.756 1.00 0.00 C ATOM 197 NH1 ARG A 15 -13.787 -2.399 6.663 1.00 0.00 N ATOM 198 NH2 ARG A 15 -14.351 -0.749 5.172 1.00 0.00 N ATOM 0 H ARG A 15 -7.610 -4.607 3.913 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.969 -1.991 4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.075 -2.498 3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.482 -3.694 4.907 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.096 -1.405 6.431 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.809 -0.767 4.964 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.199 -3.193 5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.130 -2.080 7.110 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.905 -0.658 4.729 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.080 -2.980 7.113 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.770 -2.508 6.911 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.078 -0.058 4.473 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.334 -0.861 5.422 1.00 0.00 H new ATOM 209 N GLU A 16 -7.594 -4.228 7.121 1.00 0.00 N ATOM 210 CA GLU A 16 -7.474 -4.493 8.550 1.00 0.00 C ATOM 211 C GLU A 16 -6.133 -4.002 9.085 1.00 0.00 C ATOM 212 O GLU A 16 -6.080 -3.216 10.031 1.00 0.00 O ATOM 213 CB GLU A 16 -7.630 -5.989 8.828 1.00 0.00 C ATOM 214 CG GLU A 16 -6.687 -6.511 9.899 1.00 0.00 C ATOM 215 CD GLU A 16 -7.108 -7.864 10.439 1.00 0.00 C ATOM 216 OE1 GLU A 16 -6.743 -8.887 9.824 1.00 0.00 O ATOM 217 OE2 GLU A 16 -7.802 -7.899 11.477 1.00 0.00 O ATOM 0 H GLU A 16 -7.885 -5.032 6.565 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.269 -3.950 9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.658 -6.188 9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.458 -6.541 7.904 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.681 -6.586 9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.643 -5.795 10.719 1.00 0.00 H new ATOM 222 N ALA A 17 -5.051 -4.471 8.473 1.00 0.00 N ATOM 223 CA ALA A 17 -3.709 -4.079 8.886 1.00 0.00 C ATOM 224 C ALA A 17 -3.459 -2.602 8.607 1.00 0.00 C ATOM 225 O ALA A 17 -3.079 -1.846 9.503 1.00 0.00 O ATOM 226 CB ALA A 17 -2.669 -4.936 8.179 1.00 0.00 C ATOM 0 H ALA A 17 -5.077 -5.123 7.689 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.625 -4.238 9.961 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.671 -4.633 8.496 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.828 -5.984 8.433 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.762 -4.806 7.101 1.00 0.00 H new ATOM 232 N PHE A 18 -3.672 -2.195 7.360 1.00 0.00 N ATOM 233 CA PHE A 18 -3.468 -0.806 6.964 1.00 0.00 C ATOM 234 C PHE A 18 -4.018 0.148 8.019 1.00 0.00 C ATOM 235 O PHE A 18 -3.459 1.218 8.256 1.00 0.00 O ATOM 236 CB PHE A 18 -4.139 -0.536 5.616 1.00 0.00 C ATOM 237 CG PHE A 18 -4.047 0.898 5.177 1.00 0.00 C ATOM 238 CD1 PHE A 18 -4.893 1.856 5.715 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.115 1.289 4.229 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.810 3.176 5.314 1.00 0.00 C ATOM 241 CE2 PHE A 18 -3.027 2.608 3.825 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.878 3.552 4.368 1.00 0.00 C ATOM 0 H PHE A 18 -3.986 -2.807 6.607 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.396 -0.635 6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.680 -1.170 4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.189 -0.822 5.678 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.625 1.568 6.455 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.449 0.554 3.801 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.474 3.913 5.741 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.295 2.900 3.087 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.814 4.583 4.052 1.00 0.00 H new ATOM 251 N ALA A 19 -5.119 -0.248 8.650 1.00 0.00 N ATOM 252 CA ALA A 19 -5.745 0.571 9.681 1.00 0.00 C ATOM 253 C ALA A 19 -4.819 0.748 10.878 1.00 0.00 C ATOM 254 O ALA A 19 -4.557 1.870 11.313 1.00 0.00 O ATOM 255 CB ALA A 19 -7.063 -0.051 10.119 1.00 0.00 C ATOM 0 H ALA A 19 -5.596 -1.131 8.465 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.942 1.556 9.259 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.520 0.570 10.889 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.734 -0.121 9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.880 -1.048 10.519 1.00 0.00 H new ATOM 261 N LYS A 20 -4.324 -0.365 11.408 1.00 0.00 N ATOM 262 CA LYS A 20 -3.425 -0.333 12.556 1.00 0.00 C ATOM 263 C LYS A 20 -2.202 0.531 12.264 1.00 0.00 C ATOM 264 O LYS A 20 -1.532 1.006 13.182 1.00 0.00 O ATOM 265 CB LYS A 20 -2.985 -1.751 12.926 1.00 0.00 C ATOM 266 CG LYS A 20 -3.916 -2.441 13.906 1.00 0.00 C ATOM 267 CD LYS A 20 -5.183 -2.928 13.224 1.00 0.00 C ATOM 268 CE LYS A 20 -4.953 -4.244 12.496 1.00 0.00 C ATOM 269 NZ LYS A 20 -4.738 -5.373 13.443 1.00 0.00 N ATOM 0 H LYS A 20 -4.530 -1.302 11.061 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.965 0.103 13.397 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.919 -2.350 12.018 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.984 -1.711 13.356 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.401 -3.285 14.365 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.176 -1.751 14.709 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.971 -3.054 13.966 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.529 -2.175 12.516 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.811 -4.462 11.860 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.087 -4.150 11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.905 -6.275 12.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.761 -5.347 13.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.398 -5.287 14.242 1.00 0.00 H new ATOM 279 N VAL A 21 -1.917 0.733 10.982 1.00 0.00 N ATOM 280 CA VAL A 21 -0.776 1.541 10.570 1.00 0.00 C ATOM 281 C VAL A 21 -1.230 2.867 9.971 1.00 0.00 C ATOM 282 O VAL A 21 -0.413 3.660 9.501 1.00 0.00 O ATOM 283 CB VAL A 21 0.097 0.798 9.542 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.427 0.395 10.161 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.638 -0.418 8.999 1.00 0.00 C ATOM 0 H VAL A 21 -2.461 0.348 10.210 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.185 1.733 11.465 1.00 0.00 H new ATOM 0 HB VAL A 21 0.301 1.472 8.710 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.030 -0.129 9.419 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.957 1.286 10.496 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.248 -0.262 11.012 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.006 -0.931 8.274 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.874 -1.096 9.819 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.561 -0.099 8.515 1.00 0.00 H new ATOM 295 N ASP A 22 -2.537 3.102 9.990 1.00 0.00 N ATOM 296 CA ASP A 22 -3.101 4.334 9.450 1.00 0.00 C ATOM 297 C ASP A 22 -3.763 5.157 10.551 1.00 0.00 C ATOM 298 O ASP A 22 -4.871 5.666 10.379 1.00 0.00 O ATOM 299 CB ASP A 22 -4.117 4.016 8.352 1.00 0.00 C ATOM 300 CG ASP A 22 -4.629 5.263 7.658 1.00 0.00 C ATOM 301 OD1 ASP A 22 -5.779 5.665 7.933 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.879 5.836 6.841 1.00 0.00 O ATOM 0 H ASP A 22 -3.226 2.456 10.374 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.288 4.921 9.023 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.657 3.357 7.616 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.958 3.474 8.785 1.00 0.00 H new ATOM 306 N THR A 23 -3.079 5.282 11.683 1.00 0.00 N ATOM 307 CA THR A 23 -3.601 6.041 12.813 1.00 0.00 C ATOM 308 C THR A 23 -3.307 7.528 12.659 1.00 0.00 C ATOM 309 O THR A 23 -3.576 8.321 13.561 1.00 0.00 O ATOM 310 CB THR A 23 -3.006 5.547 14.145 1.00 0.00 C ATOM 311 OG1 THR A 23 -1.595 5.346 14.006 1.00 0.00 O ATOM 312 CG2 THR A 23 -3.667 4.249 14.583 1.00 0.00 C ATOM 0 H THR A 23 -2.161 4.867 11.842 1.00 0.00 H new ATOM 0 HA THR A 23 -4.680 5.886 12.826 1.00 0.00 H new ATOM 0 HB THR A 23 -3.191 6.306 14.905 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.224 5.034 14.857 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.231 3.919 15.526 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.737 4.412 14.715 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.508 3.485 13.822 1.00 0.00 H new ATOM 320 N ASP A 24 -2.754 7.901 11.510 1.00 0.00 N ATOM 321 CA ASP A 24 -2.425 9.296 11.237 1.00 0.00 C ATOM 322 C ASP A 24 -3.680 10.162 11.244 1.00 0.00 C ATOM 323 O ASP A 24 -3.602 11.386 11.333 1.00 0.00 O ATOM 324 CB ASP A 24 -1.712 9.420 9.890 1.00 0.00 C ATOM 325 CG ASP A 24 -0.691 8.320 9.672 1.00 0.00 C ATOM 326 OD1 ASP A 24 -0.143 7.812 10.673 1.00 0.00 O ATOM 327 OD2 ASP A 24 -0.440 7.968 8.501 1.00 0.00 O ATOM 0 H ASP A 24 -2.524 7.257 10.753 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.759 9.647 12.025 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.449 9.391 9.088 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.216 10.389 9.833 1.00 0.00 H new ATOM 331 N GLY A 25 -4.840 9.516 11.148 1.00 0.00 N ATOM 332 CA GLY A 25 -6.095 10.243 11.143 1.00 0.00 C ATOM 333 C GLY A 25 -6.319 11.005 9.851 1.00 0.00 C ATOM 334 O GLY A 25 -7.193 11.868 9.775 1.00 0.00 O ATOM 0 H GLY A 25 -4.931 8.503 11.074 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.917 9.544 11.296 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.110 10.941 11.980 1.00 0.00 H new ATOM 338 N ASN A 26 -5.526 10.687 8.833 1.00 0.00 N ATOM 339 CA ASN A 26 -5.641 11.350 7.539 1.00 0.00 C ATOM 340 C ASN A 26 -6.187 10.394 6.484 1.00 0.00 C ATOM 341 O ASN A 26 -6.698 10.819 5.449 1.00 0.00 O ATOM 342 CB ASN A 26 -4.280 11.891 7.097 1.00 0.00 C ATOM 343 CG ASN A 26 -3.555 12.616 8.215 1.00 0.00 C ATOM 344 OD1 ASN A 26 -2.417 12.073 8.632 1.00 0.00 O flip ATOM 345 ND2 ASN A 26 -4.014 13.651 8.698 1.00 0.00 N flip ATOM 0 H ASN A 26 -4.797 9.975 8.879 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.338 12.181 7.646 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.662 11.066 6.742 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.418 12.571 6.256 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.892 14.032 8.346 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.516 14.127 9.450 1.00 0.00 H new ATOM 351 N GLY A 27 -6.076 9.096 6.755 1.00 0.00 N ATOM 352 CA GLY A 27 -6.564 8.099 5.821 1.00 0.00 C ATOM 353 C GLY A 27 -5.441 7.394 5.087 1.00 0.00 C ATOM 354 O GLY A 27 -5.618 6.284 4.585 1.00 0.00 O ATOM 0 H GLY A 27 -5.657 8.718 7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.161 7.363 6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.224 8.576 5.097 1.00 0.00 H new ATOM 358 N TYR A 28 -4.281 8.039 5.022 1.00 0.00 N ATOM 359 CA TYR A 28 -3.126 7.469 4.340 1.00 0.00 C ATOM 360 C TYR A 28 -1.988 7.208 5.323 1.00 0.00 C ATOM 361 O TYR A 28 -1.852 7.902 6.331 1.00 0.00 O ATOM 362 CB TYR A 28 -2.649 8.405 3.229 1.00 0.00 C ATOM 363 CG TYR A 28 -2.727 9.870 3.596 1.00 0.00 C ATOM 364 CD1 TYR A 28 -1.910 10.403 4.585 1.00 0.00 C ATOM 365 CD2 TYR A 28 -3.618 10.721 2.954 1.00 0.00 C ATOM 366 CE1 TYR A 28 -1.977 11.740 4.925 1.00 0.00 C ATOM 367 CE2 TYR A 28 -3.691 12.061 3.286 1.00 0.00 C ATOM 368 CZ TYR A 28 -2.869 12.565 4.272 1.00 0.00 C ATOM 369 OH TYR A 28 -2.940 13.897 4.607 1.00 0.00 O ATOM 0 H TYR A 28 -4.116 8.958 5.434 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.429 6.519 3.900 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.619 8.157 2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.249 8.230 2.336 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.210 9.760 5.097 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.264 10.329 2.183 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.335 12.137 5.697 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.388 12.710 2.776 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.617 14.338 4.053 1.00 0.00 H new ATOM 378 N ILE A 29 -1.173 6.203 5.021 1.00 0.00 N ATOM 379 CA ILE A 29 -0.046 5.851 5.875 1.00 0.00 C ATOM 380 C ILE A 29 1.265 6.377 5.301 1.00 0.00 C ATOM 381 O ILE A 29 1.288 6.973 4.224 1.00 0.00 O ATOM 382 CB ILE A 29 0.064 4.326 6.062 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.345 3.644 4.721 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.211 3.776 6.685 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.405 2.136 4.811 1.00 0.00 C ATOM 0 H ILE A 29 -1.272 5.618 4.191 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.228 6.316 6.844 1.00 0.00 H new ATOM 0 HB ILE A 29 0.895 4.116 6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.431 3.927 4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.291 4.014 4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.118 2.697 6.811 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.372 4.242 7.657 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.057 3.994 6.034 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.607 1.720 3.824 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.199 1.844 5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.549 1.755 5.176 1.00 0.00 H new ATOM 396 N SER A 30 2.356 6.150 6.026 1.00 0.00 N ATOM 397 CA SER A 30 3.671 6.604 5.589 1.00 0.00 C ATOM 398 C SER A 30 4.455 5.461 4.951 1.00 0.00 C ATOM 399 O SER A 30 4.105 4.290 5.106 1.00 0.00 O ATOM 400 CB SER A 30 4.456 7.177 6.772 1.00 0.00 C ATOM 401 OG SER A 30 4.017 8.487 7.087 1.00 0.00 O ATOM 0 H SER A 30 2.355 5.655 6.918 1.00 0.00 H new ATOM 0 HA SER A 30 3.529 7.386 4.843 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.334 6.530 7.641 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.519 7.194 6.533 1.00 0.00 H new ATOM 0 HG SER A 30 4.532 8.831 7.847 1.00 0.00 H new ATOM 406 N PHE A 31 5.518 5.809 4.233 1.00 0.00 N ATOM 407 CA PHE A 31 6.352 4.814 3.570 1.00 0.00 C ATOM 408 C PHE A 31 6.687 3.666 4.518 1.00 0.00 C ATOM 409 O PHE A 31 6.413 2.503 4.225 1.00 0.00 O ATOM 410 CB PHE A 31 7.640 5.458 3.054 1.00 0.00 C ATOM 411 CG PHE A 31 7.570 5.868 1.612 1.00 0.00 C ATOM 412 CD1 PHE A 31 8.362 5.243 0.661 1.00 0.00 C ATOM 413 CD2 PHE A 31 6.712 6.877 1.204 1.00 0.00 C ATOM 414 CE1 PHE A 31 8.299 5.617 -0.668 1.00 0.00 C ATOM 415 CE2 PHE A 31 6.645 7.254 -0.123 1.00 0.00 C ATOM 416 CZ PHE A 31 7.441 6.626 -1.060 1.00 0.00 C ATOM 0 H PHE A 31 5.822 6.773 4.096 1.00 0.00 H new ATOM 0 HA PHE A 31 5.792 4.412 2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.867 6.334 3.662 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.464 4.757 3.184 1.00 0.00 H new ATOM 0 HD1 PHE A 31 9.036 4.455 0.962 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.088 7.374 1.932 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.920 5.121 -1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.970 8.040 -0.428 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.393 6.923 -2.097 1.00 0.00 H new ATOM 425 N ASN A 32 7.285 4.003 5.657 1.00 0.00 N ATOM 426 CA ASN A 32 7.660 3.001 6.648 1.00 0.00 C ATOM 427 C ASN A 32 6.458 2.146 7.039 1.00 0.00 C ATOM 428 O ASN A 32 6.548 0.919 7.088 1.00 0.00 O ATOM 429 CB ASN A 32 8.244 3.677 7.891 1.00 0.00 C ATOM 430 CG ASN A 32 9.692 4.084 7.702 1.00 0.00 C ATOM 431 OD1 ASN A 32 10.142 4.313 6.579 1.00 0.00 O ATOM 432 ND2 ASN A 32 10.429 4.174 8.803 1.00 0.00 N ATOM 0 H ASN A 32 7.520 4.961 5.916 1.00 0.00 H new ATOM 0 HA ASN A 32 8.416 2.353 6.205 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.651 4.558 8.134 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.168 2.998 8.740 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.411 4.442 8.739 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.013 3.975 9.713 1.00 0.00 H new ATOM 438 N GLU A 33 5.336 2.801 7.313 1.00 0.00 N ATOM 439 CA GLU A 33 4.117 2.100 7.699 1.00 0.00 C ATOM 440 C GLU A 33 3.679 1.128 6.608 1.00 0.00 C ATOM 441 O GLU A 33 3.243 0.011 6.892 1.00 0.00 O ATOM 442 CB GLU A 33 2.995 3.100 7.986 1.00 0.00 C ATOM 443 CG GLU A 33 3.333 4.096 9.083 1.00 0.00 C ATOM 444 CD GLU A 33 4.458 3.618 9.979 1.00 0.00 C ATOM 445 OE1 GLU A 33 4.190 2.794 10.878 1.00 0.00 O ATOM 446 OE2 GLU A 33 5.606 4.067 9.783 1.00 0.00 O ATOM 0 H GLU A 33 5.245 3.816 7.275 1.00 0.00 H new ATOM 0 HA GLU A 33 4.328 1.532 8.605 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.763 3.645 7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.096 2.553 8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.613 5.047 8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.445 4.280 9.688 1.00 0.00 H new ATOM 451 N LEU A 34 3.800 1.559 5.357 1.00 0.00 N ATOM 452 CA LEU A 34 3.417 0.729 4.220 1.00 0.00 C ATOM 453 C LEU A 34 4.164 -0.602 4.242 1.00 0.00 C ATOM 454 O LEU A 34 3.554 -1.664 4.345 1.00 0.00 O ATOM 455 CB LEU A 34 3.700 1.464 2.909 1.00 0.00 C ATOM 456 CG LEU A 34 3.907 0.582 1.677 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.652 -0.225 1.381 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.296 1.428 0.474 1.00 0.00 C ATOM 0 H LEU A 34 4.161 2.479 5.104 1.00 0.00 H new ATOM 0 HA LEU A 34 2.348 0.527 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.871 2.143 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.590 2.079 3.045 1.00 0.00 H new ATOM 0 HG LEU A 34 4.720 -0.113 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.818 -0.847 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.418 -0.860 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.819 0.453 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.439 0.783 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.505 2.148 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.223 1.960 0.688 1.00 0.00 H new ATOM 469 N ASN A 35 5.488 -0.533 4.149 1.00 0.00 N ATOM 470 CA ASN A 35 6.318 -1.732 4.159 1.00 0.00 C ATOM 471 C ASN A 35 5.939 -2.645 5.321 1.00 0.00 C ATOM 472 O ASN A 35 5.813 -3.859 5.155 1.00 0.00 O ATOM 473 CB ASN A 35 7.797 -1.352 4.256 1.00 0.00 C ATOM 474 CG ASN A 35 8.702 -2.567 4.332 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.641 -3.341 5.287 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.547 -2.739 3.322 1.00 0.00 N ATOM 0 H ASN A 35 6.009 0.340 4.066 1.00 0.00 H new ATOM 0 HA ASN A 35 6.148 -2.270 3.226 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.072 -0.751 3.390 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.953 -0.731 5.138 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.180 -3.539 3.317 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.563 -2.072 2.551 1.00 0.00 H new ATOM 482 N ASP A 36 5.757 -2.054 6.496 1.00 0.00 N ATOM 483 CA ASP A 36 5.390 -2.813 7.686 1.00 0.00 C ATOM 484 C ASP A 36 4.014 -3.448 7.523 1.00 0.00 C ATOM 485 O ASP A 36 3.759 -4.541 8.030 1.00 0.00 O ATOM 486 CB ASP A 36 5.406 -1.908 8.920 1.00 0.00 C ATOM 487 CG ASP A 36 6.794 -1.392 9.242 1.00 0.00 C ATOM 488 OD1 ASP A 36 6.902 -0.261 9.761 1.00 0.00 O ATOM 489 OD2 ASP A 36 7.774 -2.119 8.977 1.00 0.00 O ATOM 0 H ASP A 36 5.858 -1.051 6.650 1.00 0.00 H new ATOM 0 HA ASP A 36 6.123 -3.609 7.819 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.737 -1.063 8.756 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.019 -2.460 9.777 1.00 0.00 H new ATOM 493 N LEU A 37 3.129 -2.755 6.814 1.00 0.00 N ATOM 494 CA LEU A 37 1.777 -3.251 6.584 1.00 0.00 C ATOM 495 C LEU A 37 1.793 -4.483 5.686 1.00 0.00 C ATOM 496 O LEU A 37 1.053 -5.441 5.914 1.00 0.00 O ATOM 497 CB LEU A 37 0.912 -2.158 5.954 1.00 0.00 C ATOM 498 CG LEU A 37 -0.211 -2.638 5.033 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.132 -3.597 5.770 1.00 0.00 C ATOM 500 CD2 LEU A 37 -0.996 -1.453 4.489 1.00 0.00 C ATOM 0 H LEU A 37 3.324 -1.848 6.389 1.00 0.00 H new ATOM 0 HA LEU A 37 1.352 -3.533 7.547 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.470 -1.566 6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.561 -1.491 5.386 1.00 0.00 H new ATOM 0 HG LEU A 37 0.235 -3.170 4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.925 -3.928 5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.561 -4.461 6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.572 -3.091 6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.791 -1.812 3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.432 -0.894 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.328 -0.803 3.924 1.00 0.00 H new ATOM 511 N PHE A 38 2.643 -4.453 4.665 1.00 0.00 N ATOM 512 CA PHE A 38 2.758 -5.569 3.732 1.00 0.00 C ATOM 513 C PHE A 38 3.236 -6.829 4.447 1.00 0.00 C ATOM 514 O PHE A 38 2.684 -7.913 4.255 1.00 0.00 O ATOM 515 CB PHE A 38 3.722 -5.215 2.598 1.00 0.00 C ATOM 516 CG PHE A 38 3.039 -4.976 1.283 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.694 -3.692 0.890 1.00 0.00 C ATOM 518 CD2 PHE A 38 2.739 -6.033 0.439 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.065 -3.468 -0.321 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.111 -5.814 -0.772 1.00 0.00 C ATOM 521 CZ PHE A 38 1.772 -4.531 -1.152 1.00 0.00 C ATOM 0 H PHE A 38 3.262 -3.668 4.462 1.00 0.00 H new ATOM 0 HA PHE A 38 1.771 -5.763 3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.283 -4.322 2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.445 -6.022 2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.919 -2.857 1.537 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.999 -7.040 0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.803 -2.463 -0.616 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.885 -6.647 -1.421 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.279 -4.359 -2.097 1.00 0.00 H new ATOM 530 N LYS A 39 4.265 -6.679 5.273 1.00 0.00 N ATOM 531 CA LYS A 39 4.819 -7.802 6.019 1.00 0.00 C ATOM 532 C LYS A 39 3.873 -8.236 7.133 1.00 0.00 C ATOM 533 O LYS A 39 3.806 -9.414 7.481 1.00 0.00 O ATOM 534 CB LYS A 39 6.181 -7.428 6.609 1.00 0.00 C ATOM 535 CG LYS A 39 7.169 -6.913 5.578 1.00 0.00 C ATOM 536 CD LYS A 39 8.605 -7.104 6.037 1.00 0.00 C ATOM 537 CE LYS A 39 9.044 -8.555 5.903 1.00 0.00 C ATOM 538 NZ LYS A 39 10.506 -8.671 5.643 1.00 0.00 N ATOM 0 H LYS A 39 4.733 -5.789 5.443 1.00 0.00 H new ATOM 0 HA LYS A 39 4.946 -8.636 5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.039 -6.666 7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.606 -8.302 7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.016 -7.435 4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.983 -5.855 5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.264 -6.467 5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.701 -6.788 7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.794 -9.096 6.816 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.492 -9.028 5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.765 -9.675 5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.742 -8.177 4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.034 -8.243 6.430 1.00 0.00 H new ATOM 548 N ALA A 40 3.140 -7.275 7.688 1.00 0.00 N ATOM 549 CA ALA A 40 2.194 -7.558 8.760 1.00 0.00 C ATOM 550 C ALA A 40 0.951 -8.260 8.225 1.00 0.00 C ATOM 551 O ALA A 40 0.301 -9.022 8.939 1.00 0.00 O ATOM 552 CB ALA A 40 1.809 -6.273 9.477 1.00 0.00 C ATOM 0 H ALA A 40 3.184 -6.294 7.412 1.00 0.00 H new ATOM 0 HA ALA A 40 2.679 -8.227 9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.102 -6.499 10.275 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.701 -5.812 9.902 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.348 -5.585 8.768 1.00 0.00 H new ATOM 558 N ALA A 41 0.626 -7.997 6.963 1.00 0.00 N ATOM 559 CA ALA A 41 -0.539 -8.605 6.332 1.00 0.00 C ATOM 560 C ALA A 41 -0.201 -9.981 5.766 1.00 0.00 C ATOM 561 O ALA A 41 -1.062 -10.661 5.206 1.00 0.00 O ATOM 562 CB ALA A 41 -1.078 -7.699 5.235 1.00 0.00 C ATOM 0 H ALA A 41 1.153 -7.367 6.358 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.309 -8.733 7.093 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.948 -8.166 4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.366 -6.740 5.664 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.307 -7.542 4.481 1.00 0.00 H new ATOM 568 N CYS A 42 1.056 -10.385 5.915 1.00 0.00 N ATOM 569 CA CYS A 42 1.507 -11.679 5.417 1.00 0.00 C ATOM 570 C CYS A 42 1.378 -11.753 3.899 1.00 0.00 C ATOM 571 O CYS A 42 1.135 -12.822 3.338 1.00 0.00 O ATOM 572 CB CYS A 42 0.703 -12.806 6.066 1.00 0.00 C ATOM 573 SG CYS A 42 0.581 -12.687 7.865 1.00 0.00 S ATOM 0 H CYS A 42 1.780 -9.835 6.377 1.00 0.00 H new ATOM 0 HA CYS A 42 2.559 -11.795 5.679 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.302 -12.810 5.644 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.161 -13.760 5.806 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.119 -13.683 8.319 1.00 0.00 H new ATOM 578 N LEU A 43 1.542 -10.611 3.241 1.00 0.00 N ATOM 579 CA LEU A 43 1.442 -10.545 1.787 1.00 0.00 C ATOM 580 C LEU A 43 2.503 -11.419 1.128 1.00 0.00 C ATOM 581 O LEU A 43 3.506 -11.789 1.741 1.00 0.00 O ATOM 582 CB LEU A 43 1.589 -9.099 1.311 1.00 0.00 C ATOM 583 CG LEU A 43 0.288 -8.311 1.145 1.00 0.00 C ATOM 584 CD1 LEU A 43 -0.899 -9.256 1.048 1.00 0.00 C ATOM 585 CD2 LEU A 43 0.103 -7.338 2.300 1.00 0.00 C ATOM 0 H LEU A 43 1.745 -9.718 3.691 1.00 0.00 H new ATOM 0 HA LEU A 43 0.459 -10.918 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.225 -8.567 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.112 -9.104 0.355 1.00 0.00 H new ATOM 0 HG LEU A 43 0.348 -7.739 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.816 -8.678 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.771 -9.913 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.962 -9.855 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.827 -6.786 2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.064 -7.891 3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.939 -6.639 2.324 1.00 0.00 H new ATOM 596 N PRO A 44 2.282 -11.758 -0.150 1.00 0.00 N ATOM 597 CA PRO A 44 3.210 -12.592 -0.921 1.00 0.00 C ATOM 598 C PRO A 44 4.513 -11.866 -1.237 1.00 0.00 C ATOM 599 O PRO A 44 5.601 -12.415 -1.056 1.00 0.00 O ATOM 600 CB PRO A 44 2.436 -12.886 -2.209 1.00 0.00 C ATOM 601 CG PRO A 44 1.480 -11.752 -2.344 1.00 0.00 C ATOM 602 CD PRO A 44 1.108 -11.355 -0.942 1.00 0.00 C ATOM 0 HA PRO A 44 3.507 -13.486 -0.373 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.105 -12.944 -3.068 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.912 -13.840 -2.147 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.936 -10.918 -2.878 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.599 -12.050 -2.912 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.919 -10.284 -0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.204 -11.863 -0.607 1.00 0.00 H new ATOM 607 N LEU A 45 4.398 -10.630 -1.710 1.00 0.00 N ATOM 608 CA LEU A 45 5.568 -9.829 -2.051 1.00 0.00 C ATOM 609 C LEU A 45 6.527 -9.734 -0.869 1.00 0.00 C ATOM 610 O LEU A 45 6.117 -9.622 0.287 1.00 0.00 O ATOM 611 CB LEU A 45 5.141 -8.427 -2.489 1.00 0.00 C ATOM 612 CG LEU A 45 4.194 -8.358 -3.688 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.515 -7.146 -4.551 1.00 0.00 C ATOM 614 CD2 LEU A 45 4.279 -9.636 -4.508 1.00 0.00 C ATOM 0 H LEU A 45 3.506 -10.161 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 45 6.085 -10.319 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.661 -7.934 -1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.037 -7.853 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 45 3.174 -8.255 -3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.832 -7.112 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.403 -6.238 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.540 -7.219 -4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.599 -9.569 -5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.299 -9.769 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.001 -10.487 -3.886 1.00 0.00 H new ATOM 625 N PRO A 46 7.835 -9.780 -1.162 1.00 0.00 N ATOM 626 CA PRO A 46 8.879 -9.697 -0.136 1.00 0.00 C ATOM 627 C PRO A 46 8.968 -8.311 0.492 1.00 0.00 C ATOM 628 O PRO A 46 8.079 -7.480 0.313 1.00 0.00 O ATOM 629 CB PRO A 46 10.161 -10.018 -0.909 1.00 0.00 C ATOM 630 CG PRO A 46 9.859 -9.637 -2.318 1.00 0.00 C ATOM 631 CD PRO A 46 8.395 -9.913 -2.517 1.00 0.00 C ATOM 0 HA PRO A 46 8.686 -10.373 0.697 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.009 -9.455 -0.520 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.417 -11.075 -0.831 1.00 0.00 H new ATOM 0 HG2 PRO A 46 10.085 -8.586 -2.495 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.464 -10.215 -3.017 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.943 -9.203 -3.210 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.226 -10.909 -2.926 1.00 0.00 H new ATOM 636 N GLY A 47 10.048 -8.068 1.228 1.00 0.00 N ATOM 637 CA GLY A 47 10.233 -6.780 1.871 1.00 0.00 C ATOM 638 C GLY A 47 10.783 -5.732 0.923 1.00 0.00 C ATOM 639 O GLY A 47 10.310 -4.596 0.901 1.00 0.00 O ATOM 0 H GLY A 47 10.798 -8.740 1.391 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.279 -6.438 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.912 -6.893 2.716 1.00 0.00 H new ATOM 643 N TYR A 48 11.786 -6.114 0.140 1.00 0.00 N ATOM 644 CA TYR A 48 12.404 -5.198 -0.811 1.00 0.00 C ATOM 645 C TYR A 48 11.412 -4.787 -1.895 1.00 0.00 C ATOM 646 O TYR A 48 11.377 -3.629 -2.312 1.00 0.00 O ATOM 647 CB TYR A 48 13.634 -5.845 -1.449 1.00 0.00 C ATOM 648 CG TYR A 48 13.314 -7.073 -2.271 1.00 0.00 C ATOM 649 CD1 TYR A 48 13.308 -8.337 -1.694 1.00 0.00 C ATOM 650 CD2 TYR A 48 13.019 -6.970 -3.625 1.00 0.00 C ATOM 651 CE1 TYR A 48 13.017 -9.463 -2.441 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.726 -8.089 -4.379 1.00 0.00 C ATOM 653 CZ TYR A 48 12.726 -9.333 -3.783 1.00 0.00 C ATOM 654 OH TYR A 48 12.436 -10.450 -4.532 1.00 0.00 O ATOM 0 H TYR A 48 12.188 -7.051 0.145 1.00 0.00 H new ATOM 0 HA TYR A 48 12.712 -4.305 -0.268 1.00 0.00 H new ATOM 0 HB2 TYR A 48 14.131 -5.112 -2.084 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.339 -6.117 -0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.535 -8.442 -0.643 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.019 -5.998 -4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 48 13.017 -10.438 -1.977 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.498 -7.991 -5.430 1.00 0.00 H new ATOM 0 HH TYR A 48 12.253 -10.185 -5.458 1.00 0.00 H new ATOM 663 N ARG A 49 10.608 -5.744 -2.346 1.00 0.00 N ATOM 664 CA ARG A 49 9.615 -5.482 -3.380 1.00 0.00 C ATOM 665 C ARG A 49 8.729 -4.299 -2.999 1.00 0.00 C ATOM 666 O ARG A 49 8.604 -3.336 -3.755 1.00 0.00 O ATOM 667 CB ARG A 49 8.752 -6.724 -3.614 1.00 0.00 C ATOM 668 CG ARG A 49 9.226 -7.586 -4.774 1.00 0.00 C ATOM 669 CD ARG A 49 8.264 -7.518 -5.948 1.00 0.00 C ATOM 670 NE ARG A 49 7.861 -8.845 -6.404 1.00 0.00 N ATOM 671 CZ ARG A 49 7.010 -9.053 -7.404 1.00 0.00 C ATOM 672 NH1 ARG A 49 6.476 -8.024 -8.048 1.00 0.00 N ATOM 673 NH2 ARG A 49 6.693 -10.291 -7.760 1.00 0.00 N ATOM 0 H ARG A 49 10.625 -6.707 -2.012 1.00 0.00 H new ATOM 0 HA ARG A 49 10.144 -5.235 -4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.743 -7.326 -2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.724 -6.412 -3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.215 -7.257 -5.093 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.326 -8.620 -4.443 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.380 -6.950 -5.659 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.734 -6.979 -6.771 1.00 0.00 H new ATOM 0 HE ARG A 49 8.254 -9.658 -5.929 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.718 -7.071 -7.776 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.823 -8.185 -8.815 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.102 -11.084 -7.266 1.00 0.00 H new ATOM 0 HH22 ARG A 49 6.040 -10.450 -8.527 1.00 0.00 H new ATOM 684 N VAL A 50 8.117 -4.381 -1.822 1.00 0.00 N ATOM 685 CA VAL A 50 7.244 -3.317 -1.340 1.00 0.00 C ATOM 686 C VAL A 50 7.988 -1.988 -1.263 1.00 0.00 C ATOM 687 O VAL A 50 7.577 -1.000 -1.871 1.00 0.00 O ATOM 688 CB VAL A 50 6.667 -3.651 0.048 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.739 -2.542 0.521 1.00 0.00 C ATOM 690 CG2 VAL A 50 5.940 -4.988 0.014 1.00 0.00 C ATOM 0 H VAL A 50 8.209 -5.172 -1.185 1.00 0.00 H new ATOM 0 HA VAL A 50 6.425 -3.231 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 50 7.491 -3.729 0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.341 -2.795 1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.294 -1.606 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.917 -2.429 -0.186 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.538 -5.209 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.124 -4.940 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.637 -5.774 -0.278 1.00 0.00 H new ATOM 700 N ARG A 51 9.084 -1.973 -0.511 1.00 0.00 N ATOM 701 CA ARG A 51 9.885 -0.766 -0.353 1.00 0.00 C ATOM 702 C ARG A 51 10.239 -0.167 -1.711 1.00 0.00 C ATOM 703 O ARG A 51 9.924 0.990 -1.991 1.00 0.00 O ATOM 704 CB ARG A 51 11.163 -1.074 0.428 1.00 0.00 C ATOM 705 CG ARG A 51 12.168 0.066 0.428 1.00 0.00 C ATOM 706 CD ARG A 51 12.580 0.445 1.842 1.00 0.00 C ATOM 707 NE ARG A 51 14.031 0.434 2.011 1.00 0.00 N ATOM 708 CZ ARG A 51 14.634 0.530 3.190 1.00 0.00 C ATOM 709 NH1 ARG A 51 13.916 0.643 4.299 1.00 0.00 N ATOM 710 NH2 ARG A 51 15.959 0.512 3.263 1.00 0.00 N ATOM 0 H ARG A 51 9.437 -2.783 -0.002 1.00 0.00 H new ATOM 0 HA ARG A 51 9.294 -0.039 0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.900 -1.315 1.458 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.633 -1.961 0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.050 -0.225 -0.144 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.736 0.933 -0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.195 1.437 2.078 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.127 -0.249 2.550 1.00 0.00 H new ATOM 0 HE ARG A 51 14.613 0.348 1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.897 0.656 4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.382 0.717 5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.515 0.424 2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.421 0.586 4.169 1.00 0.00 H new ATOM 721 N GLU A 52 10.896 -0.961 -2.550 1.00 0.00 N ATOM 722 CA GLU A 52 11.293 -0.508 -3.878 1.00 0.00 C ATOM 723 C GLU A 52 10.096 0.051 -4.643 1.00 0.00 C ATOM 724 O GLU A 52 10.158 1.149 -5.196 1.00 0.00 O ATOM 725 CB GLU A 52 11.924 -1.658 -4.666 1.00 0.00 C ATOM 726 CG GLU A 52 12.543 -1.225 -5.985 1.00 0.00 C ATOM 727 CD GLU A 52 13.317 -2.339 -6.660 1.00 0.00 C ATOM 728 OE1 GLU A 52 14.309 -2.814 -6.070 1.00 0.00 O ATOM 729 OE2 GLU A 52 12.929 -2.738 -7.779 1.00 0.00 O ATOM 0 H GLU A 52 11.165 -1.921 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 52 12.029 0.287 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.691 -2.130 -4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.163 -2.413 -4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.756 -0.877 -6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.209 -0.380 -5.809 1.00 0.00 H new ATOM 734 N ILE A 53 9.010 -0.712 -4.669 1.00 0.00 N ATOM 735 CA ILE A 53 7.799 -0.294 -5.365 1.00 0.00 C ATOM 736 C ILE A 53 7.382 1.112 -4.945 1.00 0.00 C ATOM 737 O ILE A 53 6.967 1.922 -5.775 1.00 0.00 O ATOM 738 CB ILE A 53 6.633 -1.264 -5.099 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.853 -2.578 -5.850 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.312 -0.629 -5.508 1.00 0.00 C ATOM 741 CD1 ILE A 53 6.139 -3.758 -5.227 1.00 0.00 C ATOM 0 H ILE A 53 8.943 -1.624 -4.216 1.00 0.00 H new ATOM 0 HA ILE A 53 8.029 -0.300 -6.430 1.00 0.00 H new ATOM 0 HB ILE A 53 6.595 -1.479 -4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.513 -2.460 -6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.921 -2.790 -5.890 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.497 -1.327 -5.314 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.153 0.283 -4.933 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.338 -0.388 -6.571 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.340 -4.655 -5.812 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.496 -3.902 -4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.066 -3.567 -5.212 1.00 0.00 H new ATOM 752 N THR A 54 7.497 1.396 -3.652 1.00 0.00 N ATOM 753 CA THR A 54 7.133 2.704 -3.122 1.00 0.00 C ATOM 754 C THR A 54 8.065 3.789 -3.647 1.00 0.00 C ATOM 755 O THR A 54 7.631 4.714 -4.333 1.00 0.00 O ATOM 756 CB THR A 54 7.168 2.715 -1.581 1.00 0.00 C ATOM 757 OG1 THR A 54 7.071 1.377 -1.080 1.00 0.00 O ATOM 758 CG2 THR A 54 6.031 3.556 -1.021 1.00 0.00 C ATOM 0 H THR A 54 7.839 0.738 -2.952 1.00 0.00 H new ATOM 0 HA THR A 54 6.116 2.909 -3.457 1.00 0.00 H new ATOM 0 HB THR A 54 8.114 3.154 -1.263 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.956 0.956 -1.098 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.076 3.549 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.124 4.580 -1.382 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.077 3.142 -1.348 1.00 0.00 H new ATOM 766 N GLU A 55 9.349 3.670 -3.321 1.00 0.00 N ATOM 767 CA GLU A 55 10.342 4.643 -3.762 1.00 0.00 C ATOM 768 C GLU A 55 10.228 4.896 -5.263 1.00 0.00 C ATOM 769 O GLU A 55 10.389 6.023 -5.726 1.00 0.00 O ATOM 770 CB GLU A 55 11.752 4.154 -3.422 1.00 0.00 C ATOM 771 CG GLU A 55 12.526 5.107 -2.527 1.00 0.00 C ATOM 772 CD GLU A 55 13.632 5.834 -3.268 1.00 0.00 C ATOM 773 OE1 GLU A 55 14.608 5.169 -3.677 1.00 0.00 O ATOM 774 OE2 GLU A 55 13.524 7.065 -3.437 1.00 0.00 O ATOM 0 H GLU A 55 9.725 2.910 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 55 10.153 5.580 -3.238 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.683 3.183 -2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.309 4.004 -4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.839 5.837 -2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.956 4.550 -1.695 1.00 0.00 H new ATOM 779 N ASN A 56 9.949 3.837 -6.016 1.00 0.00 N ATOM 780 CA ASN A 56 9.814 3.943 -7.464 1.00 0.00 C ATOM 781 C ASN A 56 8.630 4.830 -7.836 1.00 0.00 C ATOM 782 O ASN A 56 8.764 5.760 -8.632 1.00 0.00 O ATOM 783 CB ASN A 56 9.640 2.555 -8.084 1.00 0.00 C ATOM 784 CG ASN A 56 9.660 2.592 -9.600 1.00 0.00 C ATOM 785 OD1 ASN A 56 10.623 3.059 -10.208 1.00 0.00 O ATOM 786 ND2 ASN A 56 8.592 2.100 -10.218 1.00 0.00 N ATOM 0 H ASN A 56 9.812 2.896 -5.647 1.00 0.00 H new ATOM 0 HA ASN A 56 10.724 4.398 -7.856 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.435 1.899 -7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.697 2.125 -7.746 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.548 2.099 -11.237 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.816 1.723 -9.673 1.00 0.00 H new ATOM 792 N LEU A 57 7.472 4.538 -7.254 1.00 0.00 N ATOM 793 CA LEU A 57 6.264 5.310 -7.523 1.00 0.00 C ATOM 794 C LEU A 57 6.491 6.792 -7.243 1.00 0.00 C ATOM 795 O LEU A 57 6.305 7.635 -8.119 1.00 0.00 O ATOM 796 CB LEU A 57 5.104 4.790 -6.674 1.00 0.00 C ATOM 797 CG LEU A 57 4.010 4.029 -7.424 1.00 0.00 C ATOM 798 CD1 LEU A 57 4.165 2.531 -7.218 1.00 0.00 C ATOM 799 CD2 LEU A 57 2.633 4.492 -6.974 1.00 0.00 C ATOM 0 H LEU A 57 7.344 3.772 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 57 6.015 5.193 -8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.510 4.136 -5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.645 5.637 -6.164 1.00 0.00 H new ATOM 0 HG LEU A 57 4.112 4.241 -8.488 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.378 2.006 -7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.138 2.211 -7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.091 2.300 -6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.867 3.939 -7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.520 4.311 -5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.524 5.558 -7.175 1.00 0.00 H new ATOM 810 N MET A 58 6.895 7.102 -6.015 1.00 0.00 N ATOM 811 CA MET A 58 7.152 8.482 -5.620 1.00 0.00 C ATOM 812 C MET A 58 8.039 9.184 -6.642 1.00 0.00 C ATOM 813 O MET A 58 7.987 10.405 -6.788 1.00 0.00 O ATOM 814 CB MET A 58 7.809 8.526 -4.240 1.00 0.00 C ATOM 815 CG MET A 58 7.391 9.726 -3.406 1.00 0.00 C ATOM 816 SD MET A 58 8.792 10.548 -2.621 1.00 0.00 S ATOM 817 CE MET A 58 8.897 9.642 -1.080 1.00 0.00 C ATOM 0 H MET A 58 7.051 6.416 -5.277 1.00 0.00 H new ATOM 0 HA MET A 58 6.197 9.005 -5.576 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.560 7.613 -3.699 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.892 8.538 -4.362 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.865 10.439 -4.041 1.00 0.00 H new ATOM 0 HG3 MET A 58 6.688 9.403 -2.639 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.622 10.123 -0.424 1.00 0.00 H new ATOM 0 HE2 MET A 58 7.920 9.632 -0.596 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.212 8.618 -1.281 1.00 0.00 H new ATOM 825 N ALA A 59 8.853 8.404 -7.347 1.00 0.00 N ATOM 826 CA ALA A 59 9.751 8.952 -8.356 1.00 0.00 C ATOM 827 C ALA A 59 9.022 9.172 -9.678 1.00 0.00 C ATOM 828 O ALA A 59 9.360 10.076 -10.443 1.00 0.00 O ATOM 829 CB ALA A 59 10.946 8.031 -8.556 1.00 0.00 C ATOM 0 H ALA A 59 8.909 7.391 -7.238 1.00 0.00 H new ATOM 0 HA ALA A 59 10.108 9.919 -8.003 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.608 8.453 -9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.488 7.929 -7.616 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.599 7.051 -8.883 1.00 0.00 H new ATOM 835 N THR A 60 8.022 8.338 -9.942 1.00 0.00 N ATOM 836 CA THR A 60 7.247 8.439 -11.173 1.00 0.00 C ATOM 837 C THR A 60 6.022 9.326 -10.979 1.00 0.00 C ATOM 838 O THR A 60 4.940 9.026 -11.482 1.00 0.00 O ATOM 839 CB THR A 60 6.790 7.053 -11.664 1.00 0.00 C ATOM 840 OG1 THR A 60 6.365 6.255 -10.554 1.00 0.00 O ATOM 841 CG2 THR A 60 7.914 6.344 -12.405 1.00 0.00 C ATOM 0 H THR A 60 7.729 7.585 -9.320 1.00 0.00 H new ATOM 0 HA THR A 60 7.901 8.885 -11.923 1.00 0.00 H new ATOM 0 HB THR A 60 5.955 7.192 -12.351 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.561 6.649 -10.157 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.568 5.367 -12.742 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.214 6.940 -13.267 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.766 6.216 -11.737 1.00 0.00 H new ATOM 849 N GLY A 61 6.201 10.422 -10.247 1.00 0.00 N ATOM 850 CA GLY A 61 5.101 11.336 -10.000 1.00 0.00 C ATOM 851 C GLY A 61 3.847 10.623 -9.534 1.00 0.00 C ATOM 852 O GLY A 61 2.774 10.799 -10.111 1.00 0.00 O ATOM 0 H GLY A 61 7.087 10.693 -9.821 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.401 12.066 -9.248 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.882 11.891 -10.912 1.00 0.00 H new ATOM 856 N ASP A 62 3.983 9.816 -8.487 1.00 0.00 N ATOM 857 CA ASP A 62 2.852 9.074 -7.943 1.00 0.00 C ATOM 858 C ASP A 62 2.457 9.613 -6.571 1.00 0.00 C ATOM 859 O ASP A 62 1.277 9.827 -6.292 1.00 0.00 O ATOM 860 CB ASP A 62 3.193 7.587 -7.841 1.00 0.00 C ATOM 861 CG ASP A 62 2.993 6.856 -9.155 1.00 0.00 C ATOM 862 OD1 ASP A 62 1.877 6.926 -9.710 1.00 0.00 O ATOM 863 OD2 ASP A 62 3.954 6.215 -9.628 1.00 0.00 O ATOM 0 H ASP A 62 4.865 9.659 -7.999 1.00 0.00 H new ATOM 0 HA ASP A 62 2.007 9.200 -8.620 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.229 7.476 -7.521 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.571 7.126 -7.074 1.00 0.00 H new ATOM 867 N LEU A 63 3.453 9.829 -5.718 1.00 0.00 N ATOM 868 CA LEU A 63 3.210 10.342 -4.374 1.00 0.00 C ATOM 869 C LEU A 63 3.605 11.811 -4.272 1.00 0.00 C ATOM 870 O LEU A 63 3.878 12.317 -3.184 1.00 0.00 O ATOM 871 CB LEU A 63 3.989 9.520 -3.344 1.00 0.00 C ATOM 872 CG LEU A 63 3.697 8.020 -3.324 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.587 7.476 -4.740 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.775 7.277 -2.547 1.00 0.00 C ATOM 0 H LEU A 63 4.435 9.657 -5.933 1.00 0.00 H new ATOM 0 HA LEU A 63 2.143 10.256 -4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.054 9.660 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.780 9.924 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 63 2.742 7.863 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.379 6.407 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.778 7.986 -5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.525 7.645 -5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.551 6.210 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.743 7.443 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.804 7.645 -1.522 1.00 0.00 H new ATOM 885 N ASP A 64 3.632 12.491 -5.412 1.00 0.00 N ATOM 886 CA ASP A 64 3.989 13.904 -5.452 1.00 0.00 C ATOM 887 C ASP A 64 2.833 14.771 -4.964 1.00 0.00 C ATOM 888 O ASP A 64 2.974 15.986 -4.823 1.00 0.00 O ATOM 889 CB ASP A 64 4.386 14.313 -6.873 1.00 0.00 C ATOM 890 CG ASP A 64 5.499 15.341 -6.889 1.00 0.00 C ATOM 891 OD1 ASP A 64 5.390 16.322 -7.655 1.00 0.00 O ATOM 892 OD2 ASP A 64 6.480 15.165 -6.137 1.00 0.00 O ATOM 0 H ASP A 64 3.411 12.086 -6.322 1.00 0.00 H new ATOM 0 HA ASP A 64 4.840 14.057 -4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.703 13.430 -7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.515 14.717 -7.389 1.00 0.00 H new ATOM 896 N GLN A 65 1.693 14.140 -4.710 1.00 0.00 N ATOM 897 CA GLN A 65 0.512 14.855 -4.240 1.00 0.00 C ATOM 898 C GLN A 65 0.681 15.288 -2.788 1.00 0.00 C ATOM 899 O GLN A 65 0.088 16.275 -2.351 1.00 0.00 O ATOM 900 CB GLN A 65 -0.733 13.977 -4.381 1.00 0.00 C ATOM 901 CG GLN A 65 -0.916 12.993 -3.237 1.00 0.00 C ATOM 902 CD GLN A 65 0.020 11.804 -3.334 1.00 0.00 C ATOM 903 OE1 GLN A 65 0.070 11.121 -4.357 1.00 0.00 O ATOM 904 NE2 GLN A 65 0.767 11.549 -2.266 1.00 0.00 N ATOM 0 H GLN A 65 1.561 13.135 -4.821 1.00 0.00 H new ATOM 0 HA GLN A 65 0.390 15.747 -4.855 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.613 14.617 -4.443 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.673 13.424 -5.319 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.748 13.507 -2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.947 12.639 -3.229 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.693 12.141 -1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.414 10.761 -2.273 1.00 0.00 H new ATOM 911 N ASP A 66 1.492 14.544 -2.044 1.00 0.00 N ATOM 912 CA ASP A 66 1.739 14.852 -0.640 1.00 0.00 C ATOM 913 C ASP A 66 2.969 14.108 -0.129 1.00 0.00 C ATOM 914 O ASP A 66 3.725 14.627 0.691 1.00 0.00 O ATOM 915 CB ASP A 66 0.519 14.488 0.207 1.00 0.00 C ATOM 916 CG ASP A 66 -0.073 15.690 0.916 1.00 0.00 C ATOM 917 OD1 ASP A 66 0.002 16.804 0.358 1.00 0.00 O ATOM 918 OD2 ASP A 66 -0.612 15.516 2.028 1.00 0.00 O ATOM 0 H ASP A 66 1.990 13.723 -2.390 1.00 0.00 H new ATOM 0 HA ASP A 66 1.923 15.923 -0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.240 14.036 -0.431 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.803 13.738 0.945 1.00 0.00 H new ATOM 922 N GLY A 67 3.161 12.887 -0.619 1.00 0.00 N ATOM 923 CA GLY A 67 4.300 12.090 -0.200 1.00 0.00 C ATOM 924 C GLY A 67 3.889 10.864 0.591 1.00 0.00 C ATOM 925 O GLY A 67 4.652 9.904 0.699 1.00 0.00 O ATOM 0 H GLY A 67 2.549 12.435 -1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.865 11.779 -1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.966 12.704 0.407 1.00 0.00 H new ATOM 929 N ARG A 68 2.683 10.896 1.146 1.00 0.00 N ATOM 930 CA ARG A 68 2.173 9.780 1.934 1.00 0.00 C ATOM 931 C ARG A 68 1.711 8.643 1.029 1.00 0.00 C ATOM 932 O ARG A 68 2.029 8.614 -0.160 1.00 0.00 O ATOM 933 CB ARG A 68 1.018 10.242 2.824 1.00 0.00 C ATOM 934 CG ARG A 68 1.281 11.562 3.530 1.00 0.00 C ATOM 935 CD ARG A 68 2.574 11.517 4.330 1.00 0.00 C ATOM 936 NE ARG A 68 2.501 12.340 5.534 1.00 0.00 N ATOM 937 CZ ARG A 68 3.569 12.791 6.182 1.00 0.00 C ATOM 938 NH1 ARG A 68 4.786 12.501 5.745 1.00 0.00 N ATOM 939 NH2 ARG A 68 3.420 13.535 7.272 1.00 0.00 N ATOM 0 H ARG A 68 2.040 11.683 1.065 1.00 0.00 H new ATOM 0 HA ARG A 68 2.982 9.412 2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.118 10.338 2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.817 9.474 3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.334 12.365 2.795 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.448 11.793 4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.792 10.486 4.608 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.399 11.860 3.706 1.00 0.00 H new ATOM 0 HE ARG A 68 1.579 12.582 5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.905 11.930 4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.604 12.849 6.245 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.485 13.760 7.612 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.241 13.881 7.769 1.00 0.00 H new ATOM 950 N ILE A 69 0.958 7.709 1.599 1.00 0.00 N ATOM 951 CA ILE A 69 0.451 6.570 0.845 1.00 0.00 C ATOM 952 C ILE A 69 -0.934 6.160 1.332 1.00 0.00 C ATOM 953 O ILE A 69 -1.077 5.556 2.396 1.00 0.00 O ATOM 954 CB ILE A 69 1.397 5.360 0.947 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.844 5.793 0.693 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.982 4.277 -0.038 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.854 4.690 0.922 1.00 0.00 C ATOM 0 H ILE A 69 0.685 7.719 2.582 1.00 0.00 H new ATOM 0 HA ILE A 69 0.389 6.885 -0.197 1.00 0.00 H new ATOM 0 HB ILE A 69 1.331 4.951 1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.933 6.149 -0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.083 6.634 1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.661 3.429 0.047 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.034 3.952 0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.022 4.673 -1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.857 5.068 0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.793 4.349 1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.641 3.857 0.252 1.00 0.00 H new ATOM 968 N SER A 70 -1.954 6.489 0.545 1.00 0.00 N ATOM 969 CA SER A 70 -3.330 6.156 0.899 1.00 0.00 C ATOM 970 C SER A 70 -3.642 4.703 0.556 1.00 0.00 C ATOM 971 O SER A 70 -3.028 4.117 -0.335 1.00 0.00 O ATOM 972 CB SER A 70 -4.304 7.083 0.169 1.00 0.00 C ATOM 973 OG SER A 70 -4.935 6.414 -0.908 1.00 0.00 O ATOM 0 H SER A 70 -1.854 6.985 -0.341 1.00 0.00 H new ATOM 0 HA SER A 70 -3.446 6.291 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.058 7.446 0.867 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.769 7.956 -0.205 1.00 0.00 H new ATOM 0 HG SER A 70 -5.664 6.969 -1.256 1.00 0.00 H new ATOM 978 N PHE A 71 -4.601 4.126 1.273 1.00 0.00 N ATOM 979 CA PHE A 71 -4.995 2.739 1.048 1.00 0.00 C ATOM 980 C PHE A 71 -5.139 2.450 -0.443 1.00 0.00 C ATOM 981 O PHE A 71 -4.815 1.358 -0.909 1.00 0.00 O ATOM 982 CB PHE A 71 -6.312 2.439 1.766 1.00 0.00 C ATOM 983 CG PHE A 71 -6.607 0.971 1.887 1.00 0.00 C ATOM 984 CD1 PHE A 71 -5.582 0.057 2.069 1.00 0.00 C ATOM 985 CD2 PHE A 71 -7.911 0.506 1.818 1.00 0.00 C ATOM 986 CE1 PHE A 71 -5.850 -1.294 2.180 1.00 0.00 C ATOM 987 CE2 PHE A 71 -8.185 -0.845 1.930 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.153 -1.746 2.110 1.00 0.00 C ATOM 0 H PHE A 71 -5.120 4.597 2.014 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.214 2.095 1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.282 2.879 2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.128 2.923 1.229 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.561 0.405 2.125 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.721 1.206 1.675 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.041 -1.996 2.321 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.205 -1.196 1.877 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.365 -2.802 2.196 1.00 0.00 H new ATOM 997 N ASP A 72 -5.628 3.438 -1.186 1.00 0.00 N ATOM 998 CA ASP A 72 -5.815 3.290 -2.625 1.00 0.00 C ATOM 999 C ASP A 72 -4.512 2.883 -3.304 1.00 0.00 C ATOM 1000 O ASP A 72 -4.460 1.884 -4.020 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.332 4.597 -3.229 1.00 0.00 C ATOM 1002 CG ASP A 72 -6.163 4.645 -4.735 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -5.938 5.750 -5.272 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -6.254 3.578 -5.377 1.00 0.00 O ATOM 0 H ASP A 72 -5.902 4.348 -0.816 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.551 2.504 -2.792 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.387 4.717 -2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.801 5.436 -2.780 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.461 3.664 -3.073 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.157 3.384 -3.664 1.00 0.00 C ATOM 1010 C GLU A 73 -1.679 1.984 -3.290 1.00 0.00 C ATOM 1011 O GLU A 73 -1.135 1.259 -4.122 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.132 4.424 -3.207 1.00 0.00 C ATOM 1013 CG GLU A 73 -0.820 5.474 -4.259 1.00 0.00 C ATOM 1014 CD GLU A 73 -1.729 6.684 -4.163 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -2.118 7.045 -3.032 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -2.054 7.269 -5.218 1.00 0.00 O ATOM 0 H GLU A 73 -3.487 4.495 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.259 3.436 -4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.505 4.920 -2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.209 3.915 -2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.217 5.794 -4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.916 5.030 -5.250 1.00 0.00 H new ATOM 1021 N PHE A 74 -1.887 1.610 -2.031 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.475 0.298 -1.545 1.00 0.00 C ATOM 1023 C PHE A 74 -2.121 -0.812 -2.368 1.00 0.00 C ATOM 1024 O PHE A 74 -1.436 -1.697 -2.883 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.848 0.138 -0.070 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.632 -1.252 0.455 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -2.558 -2.253 0.206 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -0.504 -1.559 1.198 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -2.362 -3.534 0.686 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -0.302 -2.839 1.681 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.234 -3.826 1.426 1.00 0.00 C ATOM 0 H PHE A 74 -2.338 2.197 -1.329 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.393 0.221 -1.649 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.259 0.838 0.523 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.895 0.410 0.063 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.444 -2.029 -0.370 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.226 -0.790 1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.090 -4.305 0.482 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.583 -3.067 2.257 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.080 -4.825 1.805 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.444 -0.760 -2.487 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.182 -1.761 -3.248 1.00 0.00 C ATOM 1042 C ILE A 75 -3.665 -1.855 -4.680 1.00 0.00 C ATOM 1043 O ILE A 75 -3.215 -2.913 -5.120 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.689 -1.445 -3.278 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.256 -1.422 -1.857 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.426 -2.466 -4.133 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.050 -2.718 -1.104 1.00 0.00 C ATOM 0 H ILE A 75 -4.026 -0.036 -2.066 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.028 -2.716 -2.746 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.831 -0.459 -3.721 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.788 -0.610 -1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.323 -1.204 -1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.490 -2.230 -4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.036 -2.437 -5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.280 -3.463 -3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.476 -2.630 -0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.542 -3.531 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.983 -2.928 -1.026 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.731 -0.741 -5.401 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.267 -0.696 -6.783 1.00 0.00 C ATOM 1060 C LYS A 76 -1.839 -1.222 -6.895 1.00 0.00 C ATOM 1061 O LYS A 76 -1.471 -1.836 -7.896 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.339 0.734 -7.320 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.232 0.822 -8.832 1.00 0.00 C ATOM 1064 CD LYS A 76 -2.509 2.087 -9.268 1.00 0.00 C ATOM 1065 CE LYS A 76 -1.068 1.798 -9.659 1.00 0.00 C ATOM 1066 NZ LYS A 76 -0.964 1.276 -11.050 1.00 0.00 N ATOM 0 H LYS A 76 -4.101 0.143 -5.051 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.918 -1.335 -7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.280 1.185 -7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.538 1.322 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.701 -0.051 -9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.230 0.803 -9.270 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.033 2.535 -10.112 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.528 2.816 -8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.477 2.710 -9.568 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.642 1.072 -8.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.034 1.092 -11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.507 0.392 -11.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.347 1.979 -11.714 1.00 0.00 H new ATOM 1076 N ILE A 77 -1.041 -0.976 -5.861 1.00 0.00 N ATOM 1077 CA ILE A 77 0.346 -1.427 -5.844 1.00 0.00 C ATOM 1078 C ILE A 77 0.430 -2.933 -5.627 1.00 0.00 C ATOM 1079 O ILE A 77 1.212 -3.623 -6.282 1.00 0.00 O ATOM 1080 CB ILE A 77 1.155 -0.714 -4.745 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.495 0.714 -5.176 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.422 -1.494 -4.430 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.725 1.657 -4.016 1.00 0.00 C ATOM 0 H ILE A 77 -1.330 -0.468 -5.025 1.00 0.00 H new ATOM 0 HA ILE A 77 0.772 -1.178 -6.816 1.00 0.00 H new ATOM 0 HB ILE A 77 0.548 -0.665 -3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.389 0.694 -5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.684 1.101 -5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.983 -0.977 -3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.158 -2.493 -4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.035 -1.571 -5.328 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.961 2.651 -4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.824 1.707 -3.404 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.555 1.293 -3.411 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.378 -3.440 -4.702 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.395 -4.866 -4.398 1.00 0.00 C ATOM 1096 C PHE A 78 -0.836 -5.676 -5.614 1.00 0.00 C ATOM 1097 O PHE A 78 -0.215 -6.680 -5.962 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.329 -5.146 -3.218 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.371 -6.593 -2.818 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -2.558 -7.179 -2.409 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -0.222 -7.368 -2.851 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -2.599 -8.510 -2.040 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -0.257 -8.699 -2.484 1.00 0.00 C ATOM 1104 CZ PHE A 78 -1.447 -9.272 -2.076 1.00 0.00 C ATOM 0 H PHE A 78 -1.030 -2.884 -4.149 1.00 0.00 H new ATOM 0 HA PHE A 78 0.618 -5.168 -4.131 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.010 -4.550 -2.363 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.336 -4.819 -3.476 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.462 -6.589 -2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.711 -6.926 -3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.531 -8.954 -1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.645 -9.292 -2.516 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.476 -10.312 -1.786 1.00 0.00 H new ATOM 1113 N HIS A 79 -1.912 -5.231 -6.254 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.437 -5.913 -7.432 1.00 0.00 C ATOM 1115 C HIS A 79 -1.528 -5.694 -8.638 1.00 0.00 C ATOM 1116 O HIS A 79 -1.373 -6.578 -9.480 1.00 0.00 O ATOM 1117 CB HIS A 79 -3.850 -5.420 -7.747 1.00 0.00 C ATOM 1118 CG HIS A 79 -4.915 -6.435 -7.470 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.245 -7.082 -6.327 1.00 0.00 N flip ATOM 1120 CD2 HIS A 79 -5.787 -6.894 -8.434 1.00 0.00 C flip ATOM 1121 CE1 HIS A 79 -6.301 -7.911 -6.619 1.00 0.00 C flip ATOM 1122 NE2 HIS A 79 -6.608 -7.778 -7.896 1.00 0.00 N flip ATOM 0 H HIS A 79 -2.437 -4.402 -5.977 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.473 -6.981 -7.216 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.052 -4.524 -7.160 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.899 -5.131 -8.797 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.797 -6.580 -9.467 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.799 -8.565 -5.918 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.353 -8.274 -8.385 1.00 0.00 H new ATOM 1129 N GLY A 80 -0.929 -4.509 -8.714 1.00 0.00 N ATOM 1130 CA GLY A 80 -0.044 -4.195 -9.820 1.00 0.00 C ATOM 1131 C GLY A 80 -0.726 -4.337 -11.166 1.00 0.00 C ATOM 1132 O GLY A 80 -0.223 -5.024 -12.056 1.00 0.00 O ATOM 0 H GLY A 80 -1.041 -3.761 -8.029 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.324 -3.175 -9.708 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.824 -4.853 -9.785 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.874 -3.686 -11.318 1.00 0.00 N ATOM 1137 CA LEU A 81 -2.628 -3.744 -12.565 1.00 0.00 C ATOM 1138 C LEU A 81 -3.220 -2.380 -12.908 1.00 0.00 C ATOM 1139 O LEU A 81 -3.863 -1.743 -12.073 1.00 0.00 O ATOM 1140 CB LEU A 81 -3.744 -4.784 -12.462 1.00 0.00 C ATOM 1141 CG LEU A 81 -3.307 -6.248 -12.542 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -4.107 -7.098 -11.566 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -3.460 -6.775 -13.961 1.00 0.00 C ATOM 0 H LEU A 81 -2.303 -3.112 -10.593 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.942 -4.033 -13.361 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.268 -4.633 -11.518 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.463 -4.596 -13.259 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.254 -6.308 -12.266 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.783 -8.136 -11.637 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.945 -6.736 -10.551 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.167 -7.032 -11.810 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.144 -7.818 -13.998 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.504 -6.701 -14.266 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.842 -6.185 -14.637 1.00 0.00 H new ATOM 1154 N LYS A 82 -2.999 -1.939 -14.141 1.00 0.00 N ATOM 1155 CA LYS A 82 -3.512 -0.652 -14.597 1.00 0.00 C ATOM 1156 C LYS A 82 -5.008 -0.535 -14.322 1.00 0.00 C ATOM 1157 O LYS A 82 -5.429 0.195 -13.424 1.00 0.00 O ATOM 1158 CB LYS A 82 -3.242 -0.472 -16.093 1.00 0.00 C ATOM 1159 CG LYS A 82 -1.887 0.145 -16.396 1.00 0.00 C ATOM 1160 CD LYS A 82 -1.907 0.917 -17.706 1.00 0.00 C ATOM 1161 CE LYS A 82 -0.508 1.069 -18.283 1.00 0.00 C ATOM 1162 NZ LYS A 82 -0.379 2.307 -19.100 1.00 0.00 N ATOM 0 H LYS A 82 -2.468 -2.454 -14.843 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.996 0.133 -14.044 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.308 -1.442 -16.585 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.022 0.157 -16.522 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.600 0.812 -15.583 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.132 -0.639 -16.446 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.544 0.401 -18.424 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.344 1.902 -17.543 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.219 1.091 -17.472 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.272 0.201 -18.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.588 2.376 -19.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.056 2.274 -19.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.579 3.137 -18.506 1.00 0.00 H new TER 1172 LYS A 82