USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 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+ 142:sc= -0.186 (180deg=-0.956) USER MOD Single : A 5 SER OG : rot 180:sc=-0.00443 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -106:sc= -1.52 (180deg=-5.58!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -173:sc=-0.00084 (180deg=-0.0785) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0032 USER MOD Single : A 26 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.22) 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= -0.303 X(o=-0.3,f=-0.046) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) 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= -0.0315 USER MOD Single : A 54 THR OG1 : rot 66:sc= 0.201 USER MOD Single : A 56 ASN : amide:sc= -0.0077 X(o=-0.0077,f=-0.0077) USER MOD Single : A 58 MET CE :methyl -175:sc= -1.6 (180deg=-1.89) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.283 K(o=-0.28,f=-14!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.313 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-0.65) USER MOD Single : A 82 LYS NZ :NH3+ 161:sc= -0.0227 (180deg=-0.248) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.409 8.141 -0.157 1.00 0.00 N ATOM 2 CA MET A 1 -14.633 7.527 -1.228 1.00 0.00 C ATOM 3 C MET A 1 -15.074 6.085 -1.460 1.00 0.00 C ATOM 4 O MET A 1 -15.446 5.381 -0.522 1.00 0.00 O ATOM 5 CB MET A 1 -13.141 7.568 -0.896 1.00 0.00 C ATOM 6 CG MET A 1 -12.794 6.897 0.424 1.00 0.00 C ATOM 7 SD MET A 1 -11.324 7.602 1.197 1.00 0.00 S ATOM 8 CE MET A 1 -10.763 6.216 2.182 1.00 0.00 C ATOM 0 H1 MET A 1 -14.791 8.755 0.411 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.179 8.708 -0.567 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.811 7.398 0.450 1.00 0.00 H new ATOM 0 HA MET A 1 -14.810 8.095 -2.141 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.585 7.083 -1.698 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.813 8.607 -0.864 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.638 6.989 1.107 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.636 5.832 0.255 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.858 6.496 2.722 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.540 5.938 2.895 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.549 5.369 1.530 1.00 0.00 H new ATOM 16 N ALA A 2 -15.030 5.652 -2.716 1.00 0.00 N ATOM 17 CA ALA A 2 -15.423 4.295 -3.071 1.00 0.00 C ATOM 18 C ALA A 2 -14.569 3.756 -4.214 1.00 0.00 C ATOM 19 O ALA A 2 -14.701 4.191 -5.358 1.00 0.00 O ATOM 20 CB ALA A 2 -16.897 4.253 -3.446 1.00 0.00 C ATOM 0 H ALA A 2 -14.726 6.223 -3.505 1.00 0.00 H new ATOM 0 HA ALA A 2 -15.262 3.658 -2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.177 3.233 -3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.497 4.587 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -17.074 4.909 -4.298 1.00 0.00 H new ATOM 26 N ARG A 3 -13.693 2.808 -3.896 1.00 0.00 N ATOM 27 CA ARG A 3 -12.817 2.212 -4.896 1.00 0.00 C ATOM 28 C ARG A 3 -12.007 1.066 -4.297 1.00 0.00 C ATOM 29 O ARG A 3 -11.612 1.115 -3.132 1.00 0.00 O ATOM 30 CB ARG A 3 -11.874 3.270 -5.474 1.00 0.00 C ATOM 31 CG ARG A 3 -11.485 3.013 -6.921 1.00 0.00 C ATOM 32 CD ARG A 3 -10.179 2.240 -7.018 1.00 0.00 C ATOM 33 NE ARG A 3 -10.156 1.347 -8.174 1.00 0.00 N ATOM 34 CZ ARG A 3 -9.895 1.754 -9.411 1.00 0.00 C ATOM 35 NH1 ARG A 3 -9.635 3.031 -9.651 1.00 0.00 N ATOM 36 NH2 ARG A 3 -9.892 0.880 -10.410 1.00 0.00 N ATOM 0 H ARG A 3 -13.572 2.437 -2.954 1.00 0.00 H new ATOM 0 HA ARG A 3 -13.440 1.813 -5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.351 4.248 -5.403 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.971 3.311 -4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.278 2.454 -7.418 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -11.387 3.963 -7.447 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.347 2.941 -7.085 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -10.033 1.658 -6.108 1.00 0.00 H new ATOM 0 HE ARG A 3 -10.351 0.357 -8.023 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.635 3.704 -8.885 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.435 3.341 -10.602 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.090 -0.104 -10.228 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.692 1.192 -11.360 1.00 0.00 H new ATOM 47 N GLY A 4 -11.764 0.035 -5.100 1.00 0.00 N ATOM 48 CA GLY A 4 -11.004 -1.108 -4.630 1.00 0.00 C ATOM 49 C GLY A 4 -10.570 -2.020 -5.761 1.00 0.00 C ATOM 50 O GLY A 4 -11.009 -1.860 -6.900 1.00 0.00 O ATOM 0 H GLY A 4 -12.080 -0.029 -6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.123 -0.758 -4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.607 -1.675 -3.921 1.00 0.00 H new ATOM 54 N SER A 5 -9.702 -2.977 -5.448 1.00 0.00 N ATOM 55 CA SER A 5 -9.204 -3.914 -6.448 1.00 0.00 C ATOM 56 C SER A 5 -9.070 -5.316 -5.860 1.00 0.00 C ATOM 57 O SER A 5 -9.653 -6.272 -6.370 1.00 0.00 O ATOM 58 CB SER A 5 -7.852 -3.444 -6.988 1.00 0.00 C ATOM 59 OG SER A 5 -7.756 -2.030 -6.962 1.00 0.00 O ATOM 0 H SER A 5 -9.329 -3.124 -4.510 1.00 0.00 H new ATOM 0 HA SER A 5 -9.922 -3.950 -7.267 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.048 -3.877 -6.392 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.720 -3.802 -8.009 1.00 0.00 H new ATOM 0 HG SER A 5 -6.882 -1.755 -7.311 1.00 0.00 H new ATOM 64 N VAL A 6 -8.298 -5.428 -4.784 1.00 0.00 N ATOM 65 CA VAL A 6 -8.088 -6.711 -4.124 1.00 0.00 C ATOM 66 C VAL A 6 -9.415 -7.393 -3.811 1.00 0.00 C ATOM 67 O VAL A 6 -10.383 -6.739 -3.423 1.00 0.00 O ATOM 68 CB VAL A 6 -7.287 -6.547 -2.819 1.00 0.00 C ATOM 69 CG1 VAL A 6 -5.814 -6.315 -3.122 1.00 0.00 C ATOM 70 CG2 VAL A 6 -7.855 -5.407 -1.987 1.00 0.00 C ATOM 0 H VAL A 6 -7.808 -4.646 -4.351 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.518 -7.332 -4.815 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.373 -7.467 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.264 -6.201 -2.188 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.418 -7.167 -3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.704 -5.411 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.278 -5.304 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.800 -4.479 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.895 -5.620 -1.740 1.00 0.00 H new ATOM 80 N SER A 7 -9.453 -8.710 -3.983 1.00 0.00 N ATOM 81 CA SER A 7 -10.663 -9.480 -3.721 1.00 0.00 C ATOM 82 C SER A 7 -11.208 -9.180 -2.329 1.00 0.00 C ATOM 83 O SER A 7 -10.540 -8.545 -1.512 1.00 0.00 O ATOM 84 CB SER A 7 -10.379 -10.977 -3.858 1.00 0.00 C ATOM 85 OG SER A 7 -11.291 -11.590 -4.753 1.00 0.00 O ATOM 0 H SER A 7 -8.660 -9.266 -4.303 1.00 0.00 H new ATOM 0 HA SER A 7 -11.414 -9.190 -4.456 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.360 -11.126 -4.214 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.448 -11.454 -2.880 1.00 0.00 H new ATOM 0 HG SER A 7 -11.087 -12.546 -4.824 1.00 0.00 H new ATOM 90 N ASP A 8 -12.425 -9.641 -2.065 1.00 0.00 N ATOM 91 CA ASP A 8 -13.062 -9.423 -0.770 1.00 0.00 C ATOM 92 C ASP A 8 -12.161 -9.899 0.365 1.00 0.00 C ATOM 93 O ASP A 8 -11.925 -9.171 1.329 1.00 0.00 O ATOM 94 CB ASP A 8 -14.405 -10.151 -0.710 1.00 0.00 C ATOM 95 CG ASP A 8 -15.578 -9.224 -0.967 1.00 0.00 C ATOM 96 OD1 ASP A 8 -16.375 -9.514 -1.884 1.00 0.00 O ATOM 97 OD2 ASP A 8 -15.699 -8.209 -0.249 1.00 0.00 O ATOM 0 H ASP A 8 -12.991 -10.168 -2.730 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.232 -8.353 -0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.413 -10.955 -1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.520 -10.615 0.270 1.00 0.00 H new ATOM 101 N GLU A 9 -11.661 -11.124 0.243 1.00 0.00 N ATOM 102 CA GLU A 9 -10.787 -11.697 1.261 1.00 0.00 C ATOM 103 C GLU A 9 -9.658 -10.733 1.614 1.00 0.00 C ATOM 104 O GLU A 9 -9.527 -10.309 2.761 1.00 0.00 O ATOM 105 CB GLU A 9 -10.204 -13.026 0.776 1.00 0.00 C ATOM 106 CG GLU A 9 -11.000 -14.240 1.225 1.00 0.00 C ATOM 107 CD GLU A 9 -10.652 -15.489 0.439 1.00 0.00 C ATOM 108 OE1 GLU A 9 -11.387 -16.490 0.562 1.00 0.00 O ATOM 109 OE2 GLU A 9 -9.644 -15.466 -0.298 1.00 0.00 O ATOM 0 H GLU A 9 -11.846 -11.739 -0.550 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.383 -11.875 2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.156 -13.016 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.181 -13.118 1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.816 -14.419 2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.065 -14.032 1.117 1.00 0.00 H new ATOM 114 N GLU A 10 -8.846 -10.393 0.619 1.00 0.00 N ATOM 115 CA GLU A 10 -7.727 -9.479 0.825 1.00 0.00 C ATOM 116 C GLU A 10 -8.217 -8.122 1.320 1.00 0.00 C ATOM 117 O GLU A 10 -7.814 -7.656 2.387 1.00 0.00 O ATOM 118 CB GLU A 10 -6.936 -9.306 -0.473 1.00 0.00 C ATOM 119 CG GLU A 10 -5.669 -10.141 -0.530 1.00 0.00 C ATOM 120 CD GLU A 10 -5.913 -11.598 -0.183 1.00 0.00 C ATOM 121 OE1 GLU A 10 -6.505 -12.314 -1.017 1.00 0.00 O ATOM 122 OE2 GLU A 10 -5.514 -12.020 0.921 1.00 0.00 O ATOM 0 H GLU A 10 -8.941 -10.736 -0.337 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.075 -9.909 1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.574 -9.572 -1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.674 -8.255 -0.591 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.241 -10.077 -1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.934 -9.726 0.159 1.00 0.00 H new ATOM 127 N MET A 11 -9.087 -7.492 0.539 1.00 0.00 N ATOM 128 CA MET A 11 -9.633 -6.188 0.897 1.00 0.00 C ATOM 129 C MET A 11 -9.881 -6.098 2.400 1.00 0.00 C ATOM 130 O MET A 11 -9.560 -5.092 3.032 1.00 0.00 O ATOM 131 CB MET A 11 -10.936 -5.930 0.138 1.00 0.00 C ATOM 132 CG MET A 11 -11.263 -4.454 -0.022 1.00 0.00 C ATOM 133 SD MET A 11 -11.414 -3.959 -1.749 1.00 0.00 S ATOM 134 CE MET A 11 -10.310 -2.549 -1.795 1.00 0.00 C ATOM 0 H MET A 11 -9.430 -7.863 -0.347 1.00 0.00 H new ATOM 0 HA MET A 11 -8.903 -5.428 0.619 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.869 -6.388 -0.849 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.756 -6.421 0.662 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.196 -4.234 0.498 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.484 -3.860 0.455 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.895 -1.630 -1.843 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.693 -2.540 -0.896 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.669 -2.617 -2.674 1.00 0.00 H new ATOM 142 N MET A 12 -10.453 -7.155 2.965 1.00 0.00 N ATOM 143 CA MET A 12 -10.743 -7.195 4.394 1.00 0.00 C ATOM 144 C MET A 12 -9.454 -7.256 5.208 1.00 0.00 C ATOM 145 O MET A 12 -9.268 -6.486 6.150 1.00 0.00 O ATOM 146 CB MET A 12 -11.627 -8.399 4.725 1.00 0.00 C ATOM 147 CG MET A 12 -11.834 -8.609 6.216 1.00 0.00 C ATOM 148 SD MET A 12 -12.592 -7.183 7.020 1.00 0.00 S ATOM 149 CE MET A 12 -14.281 -7.752 7.195 1.00 0.00 C ATOM 0 H MET A 12 -10.725 -7.996 2.456 1.00 0.00 H new ATOM 0 HA MET A 12 -11.276 -6.281 4.657 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.598 -8.269 4.246 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.179 -9.297 4.299 1.00 0.00 H new ATOM 0 HG2 MET A 12 -12.463 -9.486 6.372 1.00 0.00 H new ATOM 0 HG3 MET A 12 -10.873 -8.818 6.686 1.00 0.00 H new ATOM 0 HE1 MET A 12 -14.878 -6.978 7.678 1.00 0.00 H new ATOM 0 HE2 MET A 12 -14.696 -7.969 6.211 1.00 0.00 H new ATOM 0 HE3 MET A 12 -14.299 -8.656 7.804 1.00 0.00 H new ATOM 157 N GLU A 13 -8.570 -8.177 4.839 1.00 0.00 N ATOM 158 CA GLU A 13 -7.299 -8.338 5.537 1.00 0.00 C ATOM 159 C GLU A 13 -6.415 -7.109 5.349 1.00 0.00 C ATOM 160 O GLU A 13 -6.045 -6.442 6.317 1.00 0.00 O ATOM 161 CB GLU A 13 -6.571 -9.586 5.035 1.00 0.00 C ATOM 162 CG GLU A 13 -7.136 -10.884 5.585 1.00 0.00 C ATOM 163 CD GLU A 13 -7.786 -11.739 4.513 1.00 0.00 C ATOM 164 OE1 GLU A 13 -7.263 -11.764 3.379 1.00 0.00 O ATOM 165 OE2 GLU A 13 -8.813 -12.383 4.809 1.00 0.00 O ATOM 0 H GLU A 13 -8.710 -8.823 4.062 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.510 -8.452 6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.620 -9.611 3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.517 -9.515 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.336 -11.451 6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.870 -10.657 6.358 1.00 0.00 H new ATOM 170 N LEU A 14 -6.079 -6.816 4.098 1.00 0.00 N ATOM 171 CA LEU A 14 -5.237 -5.666 3.781 1.00 0.00 C ATOM 172 C LEU A 14 -5.711 -4.423 4.526 1.00 0.00 C ATOM 173 O LEU A 14 -4.917 -3.724 5.155 1.00 0.00 O ATOM 174 CB LEU A 14 -5.243 -5.405 2.274 1.00 0.00 C ATOM 175 CG LEU A 14 -5.149 -6.642 1.378 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.881 -6.237 -0.063 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.064 -7.583 1.881 1.00 0.00 C ATOM 0 H LEU A 14 -6.376 -7.358 3.286 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.220 -5.892 4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.157 -4.867 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.409 -4.745 2.036 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.103 -7.168 1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.817 -7.129 -0.686 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.693 -5.603 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.941 -5.688 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.011 -8.457 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.104 -7.068 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.299 -7.899 2.897 1.00 0.00 H new ATOM 188 N ARG A 15 -7.011 -4.154 4.452 1.00 0.00 N ATOM 189 CA ARG A 15 -7.590 -2.995 5.119 1.00 0.00 C ATOM 190 C ARG A 15 -7.365 -3.067 6.628 1.00 0.00 C ATOM 191 O ARG A 15 -6.996 -2.076 7.257 1.00 0.00 O ATOM 192 CB ARG A 15 -9.088 -2.905 4.822 1.00 0.00 C ATOM 193 CG ARG A 15 -9.822 -1.897 5.691 1.00 0.00 C ATOM 194 CD ARG A 15 -10.675 -0.955 4.855 1.00 0.00 C ATOM 195 NE ARG A 15 -10.402 0.447 5.160 1.00 0.00 N ATOM 196 CZ ARG A 15 -10.838 1.058 6.257 1.00 0.00 C ATOM 197 NH1 ARG A 15 -11.562 0.393 7.147 1.00 0.00 N ATOM 198 NH2 ARG A 15 -10.549 2.336 6.464 1.00 0.00 N ATOM 0 H ARG A 15 -7.682 -4.723 3.937 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.095 -2.102 4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.227 -2.638 3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.537 -3.888 4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.454 -2.424 6.406 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.100 -1.320 6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.488 -1.139 3.797 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.729 -1.166 5.033 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.847 0.986 4.496 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.786 -0.590 6.991 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.895 0.864 7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.992 2.850 5.781 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.884 2.805 7.306 1.00 0.00 H new ATOM 209 N GLU A 16 -7.589 -4.246 7.198 1.00 0.00 N ATOM 210 CA GLU A 16 -7.411 -4.445 8.632 1.00 0.00 C ATOM 211 C GLU A 16 -6.040 -3.949 9.084 1.00 0.00 C ATOM 212 O GLU A 16 -5.937 -3.084 9.953 1.00 0.00 O ATOM 213 CB GLU A 16 -7.572 -5.925 8.987 1.00 0.00 C ATOM 214 CG GLU A 16 -8.842 -6.229 9.766 1.00 0.00 C ATOM 215 CD GLU A 16 -9.118 -7.716 9.874 1.00 0.00 C ATOM 216 OE1 GLU A 16 -10.148 -8.085 10.476 1.00 0.00 O ATOM 217 OE2 GLU A 16 -8.305 -8.510 9.357 1.00 0.00 O ATOM 0 H GLU A 16 -7.893 -5.077 6.690 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.176 -3.868 9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.569 -6.513 8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.711 -6.245 9.573 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.760 -5.805 10.767 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.687 -5.741 9.281 1.00 0.00 H new ATOM 222 N ALA A 17 -4.990 -4.505 8.489 1.00 0.00 N ATOM 223 CA ALA A 17 -3.626 -4.119 8.829 1.00 0.00 C ATOM 224 C ALA A 17 -3.390 -2.638 8.554 1.00 0.00 C ATOM 225 O ALA A 17 -2.977 -1.890 9.442 1.00 0.00 O ATOM 226 CB ALA A 17 -2.629 -4.966 8.052 1.00 0.00 C ATOM 0 H ALA A 17 -5.058 -5.224 7.769 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.481 -4.292 9.895 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.614 -4.667 8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.774 -6.017 8.300 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.784 -4.821 6.983 1.00 0.00 H new ATOM 232 N PHE A 18 -3.655 -2.220 7.321 1.00 0.00 N ATOM 233 CA PHE A 18 -3.470 -0.826 6.931 1.00 0.00 C ATOM 234 C PHE A 18 -3.948 0.115 8.031 1.00 0.00 C ATOM 235 O PHE A 18 -3.190 0.954 8.517 1.00 0.00 O ATOM 236 CB PHE A 18 -4.224 -0.535 5.631 1.00 0.00 C ATOM 237 CG PHE A 18 -4.126 0.897 5.190 1.00 0.00 C ATOM 238 CD1 PHE A 18 -4.941 1.866 5.752 1.00 0.00 C ATOM 239 CD2 PHE A 18 -3.219 1.274 4.212 1.00 0.00 C ATOM 240 CE1 PHE A 18 -4.853 3.185 5.348 1.00 0.00 C ATOM 241 CE2 PHE A 18 -3.127 2.591 3.804 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.945 3.548 4.373 1.00 0.00 C ATOM 0 H PHE A 18 -3.998 -2.825 6.575 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.405 -0.657 6.772 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.833 -1.178 4.842 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.274 -0.795 5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.653 1.588 6.515 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.577 0.530 3.764 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.494 3.931 5.794 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.416 2.872 3.041 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.874 4.578 4.056 1.00 0.00 H new ATOM 251 N ALA A 19 -5.211 -0.030 8.419 1.00 0.00 N ATOM 252 CA ALA A 19 -5.790 0.806 9.463 1.00 0.00 C ATOM 253 C ALA A 19 -4.908 0.822 10.707 1.00 0.00 C ATOM 254 O ALA A 19 -4.641 1.879 11.278 1.00 0.00 O ATOM 255 CB ALA A 19 -7.189 0.321 9.812 1.00 0.00 C ATOM 0 H ALA A 19 -5.853 -0.719 8.026 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.855 1.826 9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.609 0.954 10.593 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.822 0.369 8.926 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.139 -0.708 10.167 1.00 0.00 H new ATOM 261 N LYS A 20 -4.459 -0.358 11.123 1.00 0.00 N ATOM 262 CA LYS A 20 -3.606 -0.481 12.299 1.00 0.00 C ATOM 263 C LYS A 20 -2.366 0.397 12.166 1.00 0.00 C ATOM 264 O LYS A 20 -1.807 0.853 13.164 1.00 0.00 O ATOM 265 CB LYS A 20 -3.192 -1.939 12.503 1.00 0.00 C ATOM 266 CG LYS A 20 -4.353 -2.917 12.436 1.00 0.00 C ATOM 267 CD LYS A 20 -4.377 -3.838 13.644 1.00 0.00 C ATOM 268 CE LYS A 20 -3.041 -4.540 13.837 1.00 0.00 C ATOM 269 NZ LYS A 20 -2.654 -5.335 12.638 1.00 0.00 N ATOM 0 H LYS A 20 -4.672 -1.243 10.663 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.175 -0.146 13.166 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.457 -2.209 11.745 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.701 -2.036 13.471 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.292 -2.366 12.379 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.277 -3.512 11.526 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.619 -3.262 14.537 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.165 -4.581 13.521 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.269 -3.800 14.047 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.098 -5.196 14.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.801 -5.891 12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.431 -5.977 12.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.459 -4.693 11.844 1.00 0.00 H new ATOM 279 N VAL A 21 -1.942 0.631 10.928 1.00 0.00 N ATOM 280 CA VAL A 21 -0.770 1.457 10.666 1.00 0.00 C ATOM 281 C VAL A 21 -1.167 2.799 10.060 1.00 0.00 C ATOM 282 O VAL A 21 -0.311 3.592 9.668 1.00 0.00 O ATOM 283 CB VAL A 21 0.214 0.749 9.715 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.525 0.450 10.428 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.405 -0.526 9.162 1.00 0.00 C ATOM 0 H VAL A 21 -2.393 0.260 10.091 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.281 1.625 11.625 1.00 0.00 H new ATOM 0 HB VAL A 21 0.427 1.415 8.879 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.207 -0.050 9.741 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.974 1.382 10.771 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.334 -0.197 11.284 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.303 -1.014 8.492 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.649 -1.199 9.984 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.314 -0.281 8.613 1.00 0.00 H new ATOM 295 N ASP A 22 -2.470 3.046 9.988 1.00 0.00 N ATOM 296 CA ASP A 22 -2.982 4.294 9.432 1.00 0.00 C ATOM 297 C ASP A 22 -3.507 5.205 10.537 1.00 0.00 C ATOM 298 O ASP A 22 -4.616 5.733 10.446 1.00 0.00 O ATOM 299 CB ASP A 22 -4.091 4.007 8.419 1.00 0.00 C ATOM 300 CG ASP A 22 -4.559 5.260 7.704 1.00 0.00 C ATOM 301 OD1 ASP A 22 -3.698 6.071 7.304 1.00 0.00 O ATOM 302 OD2 ASP A 22 -5.785 5.428 7.544 1.00 0.00 O ATOM 0 H ASP A 22 -3.191 2.399 10.307 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.162 4.803 8.926 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.731 3.286 7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.936 3.547 8.930 1.00 0.00 H new ATOM 306 N THR A 23 -2.704 5.386 11.580 1.00 0.00 N ATOM 307 CA THR A 23 -3.088 6.231 12.704 1.00 0.00 C ATOM 308 C THR A 23 -2.831 7.703 12.397 1.00 0.00 C ATOM 309 O THR A 23 -2.967 8.561 13.269 1.00 0.00 O ATOM 310 CB THR A 23 -2.327 5.844 13.985 1.00 0.00 C ATOM 311 OG1 THR A 23 -0.926 5.728 13.707 1.00 0.00 O ATOM 312 CG2 THR A 23 -2.847 4.530 14.547 1.00 0.00 C ATOM 0 H THR A 23 -1.782 4.958 11.670 1.00 0.00 H new ATOM 0 HA THR A 23 -4.155 6.077 12.865 1.00 0.00 H new ATOM 0 HB THR A 23 -2.487 6.627 14.726 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.449 5.483 14.527 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.294 4.277 15.452 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.906 4.630 14.785 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.714 3.740 13.808 1.00 0.00 H new ATOM 320 N ASP A 24 -2.458 7.987 11.155 1.00 0.00 N ATOM 321 CA ASP A 24 -2.182 9.355 10.733 1.00 0.00 C ATOM 322 C ASP A 24 -3.424 10.229 10.878 1.00 0.00 C ATOM 323 O ASP A 24 -3.338 11.456 10.860 1.00 0.00 O ATOM 324 CB ASP A 24 -1.695 9.377 9.283 1.00 0.00 C ATOM 325 CG ASP A 24 -0.436 8.555 9.084 1.00 0.00 C ATOM 326 OD1 ASP A 24 0.021 8.440 7.927 1.00 0.00 O ATOM 327 OD2 ASP A 24 0.092 8.027 10.085 1.00 0.00 O ATOM 0 H ASP A 24 -2.340 7.288 10.422 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.399 9.756 11.377 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.482 8.995 8.632 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.505 10.407 8.982 1.00 0.00 H new ATOM 331 N GLY A 25 -4.580 9.587 11.019 1.00 0.00 N ATOM 332 CA GLY A 25 -5.824 10.321 11.163 1.00 0.00 C ATOM 333 C GLY A 25 -6.201 11.076 9.904 1.00 0.00 C ATOM 334 O GLY A 25 -7.092 11.924 9.924 1.00 0.00 O ATOM 0 H GLY A 25 -4.677 8.572 11.036 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.624 9.627 11.420 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.734 11.024 11.991 1.00 0.00 H new ATOM 338 N ASN A 26 -5.520 10.767 8.805 1.00 0.00 N ATOM 339 CA ASN A 26 -5.788 11.424 7.531 1.00 0.00 C ATOM 340 C ASN A 26 -6.367 10.437 6.521 1.00 0.00 C ATOM 341 O ASN A 26 -6.963 10.835 5.521 1.00 0.00 O ATOM 342 CB ASN A 26 -4.505 12.046 6.975 1.00 0.00 C ATOM 343 CG ASN A 26 -3.768 12.873 8.010 1.00 0.00 C ATOM 344 OD1 ASN A 26 -4.302 13.852 8.534 1.00 0.00 O ATOM 345 ND2 ASN A 26 -2.534 12.484 8.309 1.00 0.00 N ATOM 0 H ASN A 26 -4.779 10.067 8.771 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.521 12.212 7.704 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.849 11.255 6.612 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.751 12.675 6.119 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.989 13.002 8.998 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.132 11.667 7.850 1.00 0.00 H new ATOM 351 N GLY A 27 -6.187 9.148 6.791 1.00 0.00 N ATOM 352 CA GLY A 27 -6.698 8.125 5.898 1.00 0.00 C ATOM 353 C GLY A 27 -5.594 7.409 5.145 1.00 0.00 C ATOM 354 O GLY A 27 -5.790 6.300 4.646 1.00 0.00 O ATOM 0 H GLY A 27 -5.696 8.794 7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.272 7.398 6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.385 8.580 5.184 1.00 0.00 H new ATOM 358 N TYR A 28 -4.431 8.045 5.058 1.00 0.00 N ATOM 359 CA TYR A 28 -3.293 7.464 4.356 1.00 0.00 C ATOM 360 C TYR A 28 -2.125 7.232 5.310 1.00 0.00 C ATOM 361 O TYR A 28 -1.905 8.009 6.241 1.00 0.00 O ATOM 362 CB TYR A 28 -2.856 8.376 3.209 1.00 0.00 C ATOM 363 CG TYR A 28 -2.959 9.849 3.532 1.00 0.00 C ATOM 364 CD1 TYR A 28 -3.909 10.651 2.912 1.00 0.00 C ATOM 365 CD2 TYR A 28 -2.107 10.439 4.458 1.00 0.00 C ATOM 366 CE1 TYR A 28 -4.008 11.998 3.205 1.00 0.00 C ATOM 367 CE2 TYR A 28 -2.199 11.785 4.757 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.151 12.560 4.128 1.00 0.00 C ATOM 369 OH TYR A 28 -3.245 13.901 4.422 1.00 0.00 O ATOM 0 H TYR A 28 -4.252 8.963 5.465 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.602 6.501 3.949 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.825 8.142 2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.468 8.161 2.333 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.582 10.214 2.189 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.360 9.835 4.952 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.752 12.607 2.714 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.529 12.228 5.479 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.570 14.137 5.092 1.00 0.00 H new ATOM 378 N ILE A 29 -1.379 6.159 5.072 1.00 0.00 N ATOM 379 CA ILE A 29 -0.232 5.826 5.907 1.00 0.00 C ATOM 380 C ILE A 29 1.060 6.377 5.314 1.00 0.00 C ATOM 381 O ILE A 29 1.057 6.966 4.233 1.00 0.00 O ATOM 382 CB ILE A 29 -0.092 4.302 6.088 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.228 3.635 4.749 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.364 3.720 6.685 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.274 2.125 4.820 1.00 0.00 C ATOM 0 H ILE A 29 -1.548 5.505 4.308 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.406 6.286 6.880 1.00 0.00 H new ATOM 0 HB ILE A 29 0.731 4.107 6.776 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.521 3.933 4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.189 4.003 4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.249 2.643 6.807 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.552 4.177 7.657 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.204 3.923 6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.506 1.721 3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.043 1.817 5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.694 1.747 5.148 1.00 0.00 H new ATOM 396 N SER A 30 2.164 6.180 6.028 1.00 0.00 N ATOM 397 CA SER A 30 3.463 6.660 5.573 1.00 0.00 C ATOM 398 C SER A 30 4.271 5.528 4.946 1.00 0.00 C ATOM 399 O SER A 30 3.924 4.354 5.079 1.00 0.00 O ATOM 400 CB SER A 30 4.242 7.270 6.740 1.00 0.00 C ATOM 401 OG SER A 30 3.643 8.478 7.177 1.00 0.00 O ATOM 0 H SER A 30 2.184 5.692 6.923 1.00 0.00 H new ATOM 0 HA SER A 30 3.295 7.426 4.816 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.281 6.560 7.566 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.271 7.460 6.435 1.00 0.00 H new ATOM 0 HG SER A 30 4.158 8.847 7.924 1.00 0.00 H new ATOM 406 N PHE A 31 5.350 5.890 4.259 1.00 0.00 N ATOM 407 CA PHE A 31 6.207 4.906 3.608 1.00 0.00 C ATOM 408 C PHE A 31 6.550 3.766 4.564 1.00 0.00 C ATOM 409 O PHE A 31 6.271 2.602 4.282 1.00 0.00 O ATOM 410 CB PHE A 31 7.492 5.569 3.106 1.00 0.00 C ATOM 411 CG PHE A 31 7.493 5.830 1.627 1.00 0.00 C ATOM 412 CD1 PHE A 31 6.731 6.855 1.090 1.00 0.00 C ATOM 413 CD2 PHE A 31 8.256 5.050 0.773 1.00 0.00 C ATOM 414 CE1 PHE A 31 6.730 7.098 -0.271 1.00 0.00 C ATOM 415 CE2 PHE A 31 8.260 5.288 -0.588 1.00 0.00 C ATOM 416 CZ PHE A 31 7.496 6.312 -1.111 1.00 0.00 C ATOM 0 H PHE A 31 5.651 6.857 4.139 1.00 0.00 H new ATOM 0 HA PHE A 31 5.663 4.494 2.758 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.635 6.512 3.633 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.341 4.933 3.355 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.131 7.472 1.742 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.855 4.246 1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.132 7.900 -0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.860 4.673 -1.242 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.497 6.499 -2.175 1.00 0.00 H new ATOM 425 N ASN A 32 7.156 4.113 5.694 1.00 0.00 N ATOM 426 CA ASN A 32 7.539 3.119 6.691 1.00 0.00 C ATOM 427 C ASN A 32 6.348 2.246 7.074 1.00 0.00 C ATOM 428 O ASN A 32 6.454 1.021 7.124 1.00 0.00 O ATOM 429 CB ASN A 32 8.101 3.807 7.936 1.00 0.00 C ATOM 430 CG ASN A 32 9.084 2.929 8.687 1.00 0.00 C ATOM 431 OD1 ASN A 32 8.944 2.709 9.890 1.00 0.00 O ATOM 432 ND2 ASN A 32 10.087 2.423 7.979 1.00 0.00 N ATOM 0 H ASN A 32 7.393 5.074 5.943 1.00 0.00 H new ATOM 0 HA ASN A 32 8.309 2.482 6.256 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.595 4.734 7.644 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.280 4.079 8.600 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.780 1.826 8.431 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.165 2.631 6.984 1.00 0.00 H new ATOM 438 N GLU A 33 5.213 2.886 7.342 1.00 0.00 N ATOM 439 CA GLU A 33 4.003 2.167 7.720 1.00 0.00 C ATOM 440 C GLU A 33 3.572 1.207 6.614 1.00 0.00 C ATOM 441 O GLU A 33 3.131 0.089 6.883 1.00 0.00 O ATOM 442 CB GLU A 33 2.872 3.151 8.024 1.00 0.00 C ATOM 443 CG GLU A 33 3.263 4.242 9.008 1.00 0.00 C ATOM 444 CD GLU A 33 2.070 5.042 9.496 1.00 0.00 C ATOM 445 OE1 GLU A 33 1.271 5.491 8.648 1.00 0.00 O ATOM 446 OE2 GLU A 33 1.937 5.220 10.724 1.00 0.00 O ATOM 0 H GLU A 33 5.107 3.900 7.304 1.00 0.00 H new ATOM 0 HA GLU A 33 4.222 1.587 8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.544 3.613 7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.020 2.601 8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.768 3.792 9.863 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.978 4.915 8.534 1.00 0.00 H new ATOM 451 N LEU A 34 3.702 1.652 5.369 1.00 0.00 N ATOM 452 CA LEU A 34 3.326 0.834 4.221 1.00 0.00 C ATOM 453 C LEU A 34 4.089 -0.486 4.221 1.00 0.00 C ATOM 454 O LEU A 34 3.495 -1.558 4.335 1.00 0.00 O ATOM 455 CB LEU A 34 3.595 1.593 2.920 1.00 0.00 C ATOM 456 CG LEU A 34 3.739 0.735 1.661 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.396 0.148 1.259 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.329 1.556 0.523 1.00 0.00 C ATOM 0 H LEU A 34 4.065 2.574 5.129 1.00 0.00 H new ATOM 0 HA LEU A 34 2.260 0.616 4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.783 2.302 2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.507 2.176 3.045 1.00 0.00 H new ATOM 0 HG LEU A 34 4.419 -0.088 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.518 -0.459 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.014 -0.474 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.692 0.955 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.425 0.931 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.673 2.399 0.304 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.312 1.927 0.813 1.00 0.00 H new ATOM 469 N ASN A 35 5.409 -0.401 4.093 1.00 0.00 N ATOM 470 CA ASN A 35 6.254 -1.590 4.080 1.00 0.00 C ATOM 471 C ASN A 35 5.895 -2.526 5.230 1.00 0.00 C ATOM 472 O ASN A 35 5.690 -3.723 5.028 1.00 0.00 O ATOM 473 CB ASN A 35 7.729 -1.193 4.172 1.00 0.00 C ATOM 474 CG ASN A 35 8.628 -2.378 4.473 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.643 -3.363 3.735 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.383 -2.285 5.561 1.00 0.00 N ATOM 0 H ASN A 35 5.917 0.478 3.997 1.00 0.00 H new ATOM 0 HA ASN A 35 6.084 -2.116 3.141 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.039 -0.735 3.233 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.852 -0.440 4.950 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.009 -3.050 5.815 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.338 -1.449 6.143 1.00 0.00 H new ATOM 482 N ASP A 36 5.819 -1.971 6.434 1.00 0.00 N ATOM 483 CA ASP A 36 5.482 -2.756 7.617 1.00 0.00 C ATOM 484 C ASP A 36 4.097 -3.381 7.478 1.00 0.00 C ATOM 485 O ASP A 36 3.856 -4.492 7.951 1.00 0.00 O ATOM 486 CB ASP A 36 5.537 -1.880 8.869 1.00 0.00 C ATOM 487 CG ASP A 36 6.637 -2.301 9.823 1.00 0.00 C ATOM 488 OD1 ASP A 36 7.769 -2.544 9.354 1.00 0.00 O ATOM 489 OD2 ASP A 36 6.366 -2.387 11.039 1.00 0.00 O ATOM 0 H ASP A 36 5.986 -0.982 6.617 1.00 0.00 H new ATOM 0 HA ASP A 36 6.214 -3.558 7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.692 -0.842 8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.577 -1.926 9.383 1.00 0.00 H new ATOM 493 N LEU A 37 3.191 -2.660 6.829 1.00 0.00 N ATOM 494 CA LEU A 37 1.829 -3.142 6.629 1.00 0.00 C ATOM 495 C LEU A 37 1.806 -4.319 5.659 1.00 0.00 C ATOM 496 O LEU A 37 1.025 -5.257 5.824 1.00 0.00 O ATOM 497 CB LEU A 37 0.939 -2.015 6.102 1.00 0.00 C ATOM 498 CG LEU A 37 -0.153 -2.428 5.115 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.115 -3.412 5.764 1.00 0.00 C ATOM 500 CD2 LEU A 37 -0.902 -1.205 4.607 1.00 0.00 C ATOM 0 H LEU A 37 3.375 -1.739 6.432 1.00 0.00 H new ATOM 0 HA LEU A 37 1.444 -3.479 7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.465 -1.525 6.953 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.575 -1.272 5.620 1.00 0.00 H new ATOM 0 HG LEU A 37 0.319 -2.920 4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.885 -3.695 5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.569 -4.301 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.581 -2.946 6.632 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.676 -1.517 3.906 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.363 -0.685 5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.205 -0.535 4.104 1.00 0.00 H new ATOM 511 N PHE A 38 2.667 -4.265 4.649 1.00 0.00 N ATOM 512 CA PHE A 38 2.747 -5.326 3.653 1.00 0.00 C ATOM 513 C PHE A 38 3.140 -6.651 4.300 1.00 0.00 C ATOM 514 O PHE A 38 2.509 -7.682 4.067 1.00 0.00 O ATOM 515 CB PHE A 38 3.756 -4.959 2.564 1.00 0.00 C ATOM 516 CG PHE A 38 3.130 -4.746 1.214 1.00 0.00 C ATOM 517 CD1 PHE A 38 3.039 -5.788 0.306 1.00 0.00 C ATOM 518 CD2 PHE A 38 2.634 -3.503 0.855 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.464 -5.595 -0.936 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.058 -3.305 -0.385 1.00 0.00 C ATOM 521 CZ PHE A 38 1.973 -4.352 -1.283 1.00 0.00 C ATOM 0 H PHE A 38 3.320 -3.496 4.499 1.00 0.00 H new ATOM 0 HA PHE A 38 1.762 -5.440 3.201 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.283 -4.051 2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.502 -5.750 2.489 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.422 -6.762 0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.698 -2.680 1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.399 -6.416 -1.635 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.674 -2.332 -0.653 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.524 -4.198 -2.253 1.00 0.00 H new ATOM 530 N LYS A 39 4.188 -6.615 5.117 1.00 0.00 N ATOM 531 CA LYS A 39 4.668 -7.810 5.800 1.00 0.00 C ATOM 532 C LYS A 39 3.751 -8.177 6.963 1.00 0.00 C ATOM 533 O LYS A 39 3.574 -9.353 7.279 1.00 0.00 O ATOM 534 CB LYS A 39 6.094 -7.594 6.309 1.00 0.00 C ATOM 535 CG LYS A 39 7.009 -6.934 5.293 1.00 0.00 C ATOM 536 CD LYS A 39 8.469 -7.044 5.702 1.00 0.00 C ATOM 537 CE LYS A 39 9.088 -8.344 5.213 1.00 0.00 C ATOM 538 NZ LYS A 39 10.508 -8.478 5.640 1.00 0.00 N ATOM 0 H LYS A 39 4.721 -5.770 5.322 1.00 0.00 H new ATOM 0 HA LYS A 39 4.666 -8.633 5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.060 -6.979 7.208 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.518 -8.556 6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.867 -7.400 4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.738 -5.884 5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.026 -6.199 5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.549 -6.987 6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.513 -9.187 5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.030 -8.387 4.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.893 -9.377 5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.063 -7.688 5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.561 -8.463 6.679 1.00 0.00 H new ATOM 548 N ALA A 40 3.170 -7.163 7.595 1.00 0.00 N ATOM 549 CA ALA A 40 2.269 -7.379 8.720 1.00 0.00 C ATOM 550 C ALA A 40 0.959 -8.010 8.261 1.00 0.00 C ATOM 551 O ALA A 40 0.293 -8.706 9.026 1.00 0.00 O ATOM 552 CB ALA A 40 2.001 -6.066 9.441 1.00 0.00 C ATOM 0 H ALA A 40 3.307 -6.183 7.347 1.00 0.00 H new ATOM 0 HA ALA A 40 2.751 -8.069 9.412 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.327 -6.242 10.279 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.941 -5.656 9.811 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.544 -5.358 8.750 1.00 0.00 H new ATOM 558 N ALA A 41 0.595 -7.760 7.007 1.00 0.00 N ATOM 559 CA ALA A 41 -0.635 -8.305 6.446 1.00 0.00 C ATOM 560 C ALA A 41 -0.399 -9.684 5.841 1.00 0.00 C ATOM 561 O ALA A 41 -1.258 -10.220 5.139 1.00 0.00 O ATOM 562 CB ALA A 41 -1.204 -7.357 5.400 1.00 0.00 C ATOM 0 H ALA A 41 1.134 -7.184 6.361 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.358 -8.411 7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.122 -7.777 4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.420 -6.393 5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.478 -7.221 4.599 1.00 0.00 H new ATOM 568 N CYS A 42 0.769 -10.254 6.117 1.00 0.00 N ATOM 569 CA CYS A 42 1.119 -11.571 5.597 1.00 0.00 C ATOM 570 C CYS A 42 0.907 -11.634 4.088 1.00 0.00 C ATOM 571 O CYS A 42 0.185 -12.497 3.586 1.00 0.00 O ATOM 572 CB CYS A 42 0.285 -12.652 6.287 1.00 0.00 C ATOM 573 SG CYS A 42 0.966 -14.320 6.134 1.00 0.00 S ATOM 0 H CYS A 42 1.489 -9.825 6.698 1.00 0.00 H new ATOM 0 HA CYS A 42 2.174 -11.748 5.805 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.192 -12.405 7.345 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.721 -12.642 5.868 1.00 0.00 H new ATOM 0 HG CYS A 42 0.192 -15.163 6.751 1.00 0.00 H new ATOM 578 N LEU A 43 1.541 -10.715 3.369 1.00 0.00 N ATOM 579 CA LEU A 43 1.421 -10.665 1.915 1.00 0.00 C ATOM 580 C LEU A 43 2.502 -11.510 1.251 1.00 0.00 C ATOM 581 O LEU A 43 3.520 -11.848 1.854 1.00 0.00 O ATOM 582 CB LEU A 43 1.517 -9.218 1.426 1.00 0.00 C ATOM 583 CG LEU A 43 0.203 -8.438 1.377 1.00 0.00 C ATOM 584 CD1 LEU A 43 -0.816 -9.047 2.328 1.00 0.00 C ATOM 585 CD2 LEU A 43 0.440 -6.973 1.714 1.00 0.00 C ATOM 0 H LEU A 43 2.143 -9.995 3.768 1.00 0.00 H new ATOM 0 HA LEU A 43 0.448 -11.072 1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.211 -8.682 2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.952 -9.221 0.427 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.195 -8.498 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.745 -8.478 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.008 -10.081 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.426 -9.019 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.506 -6.433 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.861 -6.894 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.135 -6.542 0.993 1.00 0.00 H new ATOM 596 N PRO A 44 2.277 -11.862 -0.025 1.00 0.00 N ATOM 597 CA PRO A 44 3.222 -12.671 -0.801 1.00 0.00 C ATOM 598 C PRO A 44 4.501 -11.910 -1.133 1.00 0.00 C ATOM 599 O PRO A 44 5.607 -12.410 -0.918 1.00 0.00 O ATOM 600 CB PRO A 44 2.445 -12.995 -2.079 1.00 0.00 C ATOM 601 CG PRO A 44 1.454 -11.890 -2.210 1.00 0.00 C ATOM 602 CD PRO A 44 1.085 -11.497 -0.807 1.00 0.00 C ATOM 0 HA PRO A 44 3.551 -13.553 -0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.106 -13.038 -2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.951 -13.964 -2.007 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.880 -11.046 -2.753 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.576 -12.217 -2.767 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.867 -10.432 -0.733 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.199 -12.029 -0.461 1.00 0.00 H new ATOM 607 N LEU A 45 4.344 -10.700 -1.657 1.00 0.00 N ATOM 608 CA LEU A 45 5.487 -9.869 -2.017 1.00 0.00 C ATOM 609 C LEU A 45 6.458 -9.738 -0.848 1.00 0.00 C ATOM 610 O LEU A 45 6.059 -9.601 0.309 1.00 0.00 O ATOM 611 CB LEU A 45 5.015 -8.482 -2.461 1.00 0.00 C ATOM 612 CG LEU A 45 4.111 -8.442 -3.692 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.447 -7.242 -4.563 1.00 0.00 C ATOM 614 CD2 LEU A 45 4.238 -9.733 -4.489 1.00 0.00 C ATOM 0 H LEU A 45 3.437 -10.272 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 45 6.008 -10.352 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.484 -8.018 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.893 -7.868 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 45 3.078 -8.344 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.793 -7.231 -5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.305 -6.326 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.485 -7.308 -4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.587 -9.687 -5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.271 -9.861 -4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.947 -10.577 -3.864 1.00 0.00 H new ATOM 625 N PRO A 46 7.763 -9.781 -1.154 1.00 0.00 N ATOM 626 CA PRO A 46 8.817 -9.668 -0.142 1.00 0.00 C ATOM 627 C PRO A 46 8.903 -8.265 0.452 1.00 0.00 C ATOM 628 O PRO A 46 8.003 -7.447 0.267 1.00 0.00 O ATOM 629 CB PRO A 46 10.094 -9.997 -0.920 1.00 0.00 C ATOM 630 CG PRO A 46 9.775 -9.652 -2.334 1.00 0.00 C ATOM 631 CD PRO A 46 8.309 -9.944 -2.511 1.00 0.00 C ATOM 0 HA PRO A 46 8.637 -10.327 0.708 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.942 -9.418 -0.553 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.359 -11.049 -0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.992 -8.603 -2.538 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.377 -10.242 -3.025 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.844 -9.255 -3.217 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.143 -10.951 -2.893 1.00 0.00 H new ATOM 636 N GLY A 47 9.991 -7.995 1.165 1.00 0.00 N ATOM 637 CA GLY A 47 10.174 -6.690 1.774 1.00 0.00 C ATOM 638 C GLY A 47 10.720 -5.666 0.799 1.00 0.00 C ATOM 639 O GLY A 47 10.276 -4.518 0.780 1.00 0.00 O ATOM 0 H GLY A 47 10.749 -8.656 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.220 -6.339 2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.855 -6.780 2.621 1.00 0.00 H new ATOM 643 N TYR A 48 11.687 -6.081 -0.012 1.00 0.00 N ATOM 644 CA TYR A 48 12.298 -5.190 -0.991 1.00 0.00 C ATOM 645 C TYR A 48 11.302 -4.817 -2.084 1.00 0.00 C ATOM 646 O TYR A 48 11.246 -3.668 -2.521 1.00 0.00 O ATOM 647 CB TYR A 48 13.531 -5.850 -1.613 1.00 0.00 C ATOM 648 CG TYR A 48 13.218 -7.115 -2.379 1.00 0.00 C ATOM 649 CD1 TYR A 48 13.211 -8.351 -1.745 1.00 0.00 C ATOM 650 CD2 TYR A 48 12.931 -7.074 -3.738 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.926 -9.510 -2.442 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.643 -8.227 -4.442 1.00 0.00 C ATOM 653 CZ TYR A 48 12.643 -9.443 -3.790 1.00 0.00 C ATOM 654 OH TYR A 48 12.358 -10.593 -4.489 1.00 0.00 O ATOM 0 H TYR A 48 12.064 -7.029 -0.011 1.00 0.00 H new ATOM 0 HA TYR A 48 12.602 -4.279 -0.475 1.00 0.00 H new ATOM 0 HB2 TYR A 48 14.014 -5.139 -2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.247 -6.081 -0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.432 -8.407 -0.689 1.00 0.00 H new ATOM 0 HD2 TYR A 48 12.933 -6.124 -4.253 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.925 -10.463 -1.934 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.419 -8.177 -5.497 1.00 0.00 H new ATOM 0 HH TYR A 48 12.180 -10.370 -5.427 1.00 0.00 H new ATOM 663 N ARG A 49 10.517 -5.797 -2.519 1.00 0.00 N ATOM 664 CA ARG A 49 9.521 -5.572 -3.561 1.00 0.00 C ATOM 665 C ARG A 49 8.639 -4.375 -3.221 1.00 0.00 C ATOM 666 O ARG A 49 8.408 -3.502 -4.058 1.00 0.00 O ATOM 667 CB ARG A 49 8.657 -6.820 -3.748 1.00 0.00 C ATOM 668 CG ARG A 49 9.136 -7.729 -4.868 1.00 0.00 C ATOM 669 CD ARG A 49 8.183 -7.700 -6.054 1.00 0.00 C ATOM 670 NE ARG A 49 7.757 -9.040 -6.447 1.00 0.00 N ATOM 671 CZ ARG A 49 8.543 -9.905 -7.080 1.00 0.00 C ATOM 672 NH1 ARG A 49 9.790 -9.571 -7.387 1.00 0.00 N ATOM 673 NH2 ARG A 49 8.084 -11.106 -7.404 1.00 0.00 N ATOM 0 H ARG A 49 10.551 -6.754 -2.167 1.00 0.00 H new ATOM 0 HA ARG A 49 10.047 -5.360 -4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.641 -7.384 -2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.631 -6.514 -3.953 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.130 -7.418 -5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.226 -8.750 -4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.308 -7.101 -5.801 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.670 -7.212 -6.898 1.00 0.00 H new ATOM 0 HE ARG A 49 6.804 -9.328 -6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.147 -8.649 -7.137 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.391 -10.236 -7.873 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.127 -11.367 -7.168 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.688 -11.769 -7.890 1.00 0.00 H new ATOM 684 N VAL A 50 8.146 -4.340 -1.987 1.00 0.00 N ATOM 685 CA VAL A 50 7.290 -3.251 -1.535 1.00 0.00 C ATOM 686 C VAL A 50 8.056 -1.935 -1.480 1.00 0.00 C ATOM 687 O VAL A 50 7.686 -0.961 -2.137 1.00 0.00 O ATOM 688 CB VAL A 50 6.695 -3.544 -0.144 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.689 -2.471 0.242 1.00 0.00 C ATOM 690 CG2 VAL A 50 6.054 -4.923 -0.119 1.00 0.00 C ATOM 0 H VAL A 50 8.326 -5.055 -1.282 1.00 0.00 H new ATOM 0 HA VAL A 50 6.479 -3.166 -2.259 1.00 0.00 H new ATOM 0 HB VAL A 50 7.502 -3.531 0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.279 -2.694 1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.184 -1.500 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.882 -2.449 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.639 -5.113 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.257 -4.967 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.806 -5.678 -0.348 1.00 0.00 H new ATOM 700 N ARG A 51 9.128 -1.912 -0.695 1.00 0.00 N ATOM 701 CA ARG A 51 9.948 -0.715 -0.554 1.00 0.00 C ATOM 702 C ARG A 51 10.356 -0.172 -1.920 1.00 0.00 C ATOM 703 O ARG A 51 10.443 1.040 -2.116 1.00 0.00 O ATOM 704 CB ARG A 51 11.193 -1.019 0.280 1.00 0.00 C ATOM 705 CG ARG A 51 11.987 0.220 0.663 1.00 0.00 C ATOM 706 CD ARG A 51 13.449 0.088 0.267 1.00 0.00 C ATOM 707 NE ARG A 51 13.957 1.303 -0.366 1.00 0.00 N ATOM 708 CZ ARG A 51 14.342 2.378 0.313 1.00 0.00 C ATOM 709 NH1 ARG A 51 14.278 2.390 1.636 1.00 0.00 N ATOM 710 NH2 ARG A 51 14.792 3.446 -0.336 1.00 0.00 N ATOM 0 H ARG A 51 9.449 -2.710 -0.146 1.00 0.00 H new ATOM 0 HA ARG A 51 9.355 0.044 -0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.893 -1.543 1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.839 -1.695 -0.280 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.555 1.095 0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.913 0.383 1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.045 -0.136 1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.565 -0.753 -0.417 1.00 0.00 H new ATOM 0 HE ARG A 51 14.019 1.327 -1.384 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.932 1.572 2.137 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.575 3.217 2.153 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.842 3.440 -1.355 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.088 4.272 0.184 1.00 0.00 H new ATOM 721 N GLU A 52 10.606 -1.079 -2.860 1.00 0.00 N ATOM 722 CA GLU A 52 11.007 -0.689 -4.207 1.00 0.00 C ATOM 723 C GLU A 52 9.844 -0.047 -4.958 1.00 0.00 C ATOM 724 O GLU A 52 9.954 1.076 -5.451 1.00 0.00 O ATOM 725 CB GLU A 52 11.518 -1.905 -4.982 1.00 0.00 C ATOM 726 CG GLU A 52 13.018 -2.113 -4.869 1.00 0.00 C ATOM 727 CD GLU A 52 13.533 -1.893 -3.460 1.00 0.00 C ATOM 728 OE1 GLU A 52 13.753 -2.895 -2.747 1.00 0.00 O ATOM 729 OE2 GLU A 52 13.716 -0.721 -3.070 1.00 0.00 O ATOM 0 H GLU A 52 10.538 -2.086 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 52 11.810 0.043 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.008 -2.797 -4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.254 -1.792 -6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.266 -3.125 -5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.528 -1.430 -5.549 1.00 0.00 H new ATOM 734 N ILE A 53 8.730 -0.767 -5.039 1.00 0.00 N ATOM 735 CA ILE A 53 7.547 -0.267 -5.727 1.00 0.00 C ATOM 736 C ILE A 53 7.193 1.141 -5.263 1.00 0.00 C ATOM 737 O ILE A 53 6.829 2.000 -6.067 1.00 0.00 O ATOM 738 CB ILE A 53 6.333 -1.189 -5.502 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.593 -2.569 -6.111 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.078 -0.568 -6.098 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.869 -3.690 -5.398 1.00 0.00 C ATOM 0 H ILE A 53 8.622 -1.698 -4.637 1.00 0.00 H new ATOM 0 HA ILE A 53 7.787 -0.247 -6.790 1.00 0.00 H new ATOM 0 HB ILE A 53 6.181 -1.309 -4.429 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.289 -2.559 -7.158 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.664 -2.769 -6.092 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.229 -1.231 -5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.886 0.394 -5.622 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.218 -0.421 -7.169 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.099 -4.638 -5.883 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.191 -3.727 -4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.794 -3.513 -5.439 1.00 0.00 H new ATOM 752 N THR A 54 7.305 1.374 -3.958 1.00 0.00 N ATOM 753 CA THR A 54 6.999 2.679 -3.386 1.00 0.00 C ATOM 754 C THR A 54 8.022 3.723 -3.819 1.00 0.00 C ATOM 755 O THR A 54 7.679 4.703 -4.479 1.00 0.00 O ATOM 756 CB THR A 54 6.960 2.621 -1.847 1.00 0.00 C ATOM 757 OG1 THR A 54 6.777 1.270 -1.411 1.00 0.00 O ATOM 758 CG2 THR A 54 5.839 3.493 -1.301 1.00 0.00 C ATOM 0 H THR A 54 7.605 0.675 -3.278 1.00 0.00 H new ATOM 0 HA THR A 54 6.015 2.965 -3.757 1.00 0.00 H new ATOM 0 HB THR A 54 7.910 2.998 -1.467 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.563 0.738 -1.655 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.831 3.436 -0.213 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.999 4.526 -1.609 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.883 3.142 -1.690 1.00 0.00 H new ATOM 766 N GLU A 55 9.278 3.506 -3.444 1.00 0.00 N ATOM 767 CA GLU A 55 10.350 4.430 -3.795 1.00 0.00 C ATOM 768 C GLU A 55 10.378 4.684 -5.300 1.00 0.00 C ATOM 769 O GLU A 55 10.823 5.737 -5.753 1.00 0.00 O ATOM 770 CB GLU A 55 11.701 3.877 -3.334 1.00 0.00 C ATOM 771 CG GLU A 55 12.423 4.781 -2.349 1.00 0.00 C ATOM 772 CD GLU A 55 13.795 5.201 -2.842 1.00 0.00 C ATOM 773 OE1 GLU A 55 13.996 6.411 -3.075 1.00 0.00 O ATOM 774 OE2 GLU A 55 14.667 4.320 -2.993 1.00 0.00 O ATOM 0 H GLU A 55 9.578 2.699 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 55 10.161 5.376 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.547 2.901 -2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.337 3.721 -4.205 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.819 5.670 -2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.526 4.264 -1.395 1.00 0.00 H new ATOM 779 N ASN A 56 9.900 3.710 -6.067 1.00 0.00 N ATOM 780 CA ASN A 56 9.871 3.827 -7.520 1.00 0.00 C ATOM 781 C ASN A 56 8.592 4.516 -7.986 1.00 0.00 C ATOM 782 O ASN A 56 8.554 5.120 -9.058 1.00 0.00 O ATOM 783 CB ASN A 56 9.984 2.444 -8.166 1.00 0.00 C ATOM 784 CG ASN A 56 10.006 2.514 -9.681 1.00 0.00 C ATOM 785 OD1 ASN A 56 10.863 3.173 -10.270 1.00 0.00 O ATOM 786 ND2 ASN A 56 9.061 1.833 -10.318 1.00 0.00 N ATOM 0 H ASN A 56 9.528 2.831 -5.707 1.00 0.00 H new ATOM 0 HA ASN A 56 10.722 4.435 -7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.892 1.955 -7.814 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.145 1.827 -7.846 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.025 1.842 -11.337 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.371 1.300 -9.788 1.00 0.00 H new ATOM 792 N LEU A 57 7.546 4.421 -7.171 1.00 0.00 N ATOM 793 CA LEU A 57 6.265 5.036 -7.498 1.00 0.00 C ATOM 794 C LEU A 57 6.385 6.556 -7.542 1.00 0.00 C ATOM 795 O LEU A 57 6.166 7.176 -8.582 1.00 0.00 O ATOM 796 CB LEU A 57 5.204 4.626 -6.476 1.00 0.00 C ATOM 797 CG LEU A 57 3.909 4.046 -7.046 1.00 0.00 C ATOM 798 CD1 LEU A 57 4.124 2.615 -7.512 1.00 0.00 C ATOM 799 CD2 LEU A 57 2.795 4.111 -6.012 1.00 0.00 C ATOM 0 H LEU A 57 7.561 3.924 -6.280 1.00 0.00 H new ATOM 0 HA LEU A 57 5.964 4.686 -8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.643 3.889 -5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.953 5.499 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 57 3.613 4.645 -7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.191 2.219 -7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.890 2.596 -8.287 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.444 2.002 -6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.881 3.694 -6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.082 3.537 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.622 5.149 -5.728 1.00 0.00 H new ATOM 810 N MET A 58 6.735 7.149 -6.406 1.00 0.00 N ATOM 811 CA MET A 58 6.888 8.596 -6.316 1.00 0.00 C ATOM 812 C MET A 58 8.157 9.056 -7.026 1.00 0.00 C ATOM 813 O MET A 58 8.340 10.244 -7.285 1.00 0.00 O ATOM 814 CB MET A 58 6.923 9.037 -4.851 1.00 0.00 C ATOM 815 CG MET A 58 7.891 8.234 -3.997 1.00 0.00 C ATOM 816 SD MET A 58 9.332 9.192 -3.492 1.00 0.00 S ATOM 817 CE MET A 58 9.427 8.771 -1.754 1.00 0.00 C ATOM 0 H MET A 58 6.918 6.650 -5.535 1.00 0.00 H new ATOM 0 HA MET A 58 6.031 9.056 -6.807 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.198 10.091 -4.804 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.921 8.950 -4.430 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.372 7.871 -3.110 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.220 7.357 -4.555 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.216 9.355 -1.281 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.474 8.992 -1.274 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.649 7.709 -1.648 1.00 0.00 H new ATOM 825 N ALA A 59 9.031 8.104 -7.339 1.00 0.00 N ATOM 826 CA ALA A 59 10.282 8.411 -8.021 1.00 0.00 C ATOM 827 C ALA A 59 10.040 9.294 -9.241 1.00 0.00 C ATOM 828 O ALA A 59 10.928 10.031 -9.673 1.00 0.00 O ATOM 829 CB ALA A 59 10.989 7.126 -8.429 1.00 0.00 C ATOM 0 H ALA A 59 8.895 7.115 -7.131 1.00 0.00 H new ATOM 0 HA ALA A 59 10.920 8.960 -7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.922 7.370 -8.937 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.204 6.531 -7.541 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.348 6.556 -9.101 1.00 0.00 H new ATOM 835 N THR A 60 8.834 9.215 -9.793 1.00 0.00 N ATOM 836 CA THR A 60 8.476 10.006 -10.963 1.00 0.00 C ATOM 837 C THR A 60 7.477 11.101 -10.604 1.00 0.00 C ATOM 838 O THR A 60 7.737 12.284 -10.815 1.00 0.00 O ATOM 839 CB THR A 60 7.874 9.125 -12.074 1.00 0.00 C ATOM 840 OG1 THR A 60 7.025 8.125 -11.501 1.00 0.00 O ATOM 841 CG2 THR A 60 8.973 8.457 -12.889 1.00 0.00 C ATOM 0 H THR A 60 8.088 8.611 -9.448 1.00 0.00 H new ATOM 0 HA THR A 60 9.396 10.462 -11.328 1.00 0.00 H new ATOM 0 HB THR A 60 7.288 9.763 -12.735 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.645 7.570 -12.214 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.525 7.840 -13.668 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.601 9.221 -13.348 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.581 7.831 -12.236 1.00 0.00 H new ATOM 849 N GLY A 61 6.335 10.697 -10.056 1.00 0.00 N ATOM 850 CA GLY A 61 5.315 11.656 -9.676 1.00 0.00 C ATOM 851 C GLY A 61 4.025 10.989 -9.239 1.00 0.00 C ATOM 852 O GLY A 61 2.936 11.434 -9.602 1.00 0.00 O ATOM 0 H GLY A 61 6.098 9.723 -9.869 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.691 12.279 -8.865 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.111 12.318 -10.518 1.00 0.00 H new ATOM 856 N ASP A 62 4.148 9.920 -8.461 1.00 0.00 N ATOM 857 CA ASP A 62 2.982 9.189 -7.976 1.00 0.00 C ATOM 858 C ASP A 62 2.491 9.769 -6.652 1.00 0.00 C ATOM 859 O ASP A 62 1.315 10.102 -6.508 1.00 0.00 O ATOM 860 CB ASP A 62 3.318 7.707 -7.804 1.00 0.00 C ATOM 861 CG ASP A 62 3.224 6.938 -9.107 1.00 0.00 C ATOM 862 OD1 ASP A 62 2.358 6.044 -9.208 1.00 0.00 O ATOM 863 OD2 ASP A 62 4.016 7.231 -10.027 1.00 0.00 O ATOM 0 H ASP A 62 5.043 9.540 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 62 2.187 9.290 -8.715 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.326 7.610 -7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.639 7.265 -7.075 1.00 0.00 H new ATOM 867 N LEU A 63 3.399 9.885 -5.690 1.00 0.00 N ATOM 868 CA LEU A 63 3.058 10.423 -4.377 1.00 0.00 C ATOM 869 C LEU A 63 3.381 11.911 -4.299 1.00 0.00 C ATOM 870 O LEU A 63 3.654 12.441 -3.222 1.00 0.00 O ATOM 871 CB LEU A 63 3.814 9.667 -3.283 1.00 0.00 C ATOM 872 CG LEU A 63 3.594 8.154 -3.237 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.218 7.628 -4.615 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.839 7.450 -2.718 1.00 0.00 C ATOM 0 H LEU A 63 4.377 9.614 -5.794 1.00 0.00 H new ATOM 0 HA LEU A 63 1.986 10.294 -4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.880 9.855 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.529 10.085 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 63 2.771 7.946 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.065 6.550 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.299 8.109 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.020 7.848 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.665 6.374 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.680 7.665 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.065 7.805 -1.713 1.00 0.00 H new ATOM 885 N ASP A 64 3.344 12.581 -5.445 1.00 0.00 N ATOM 886 CA ASP A 64 3.630 14.010 -5.506 1.00 0.00 C ATOM 887 C ASP A 64 2.537 14.812 -4.807 1.00 0.00 C ATOM 888 O ASP A 64 2.685 16.012 -4.579 1.00 0.00 O ATOM 889 CB ASP A 64 3.762 14.464 -6.961 1.00 0.00 C ATOM 890 CG ASP A 64 4.517 15.771 -7.092 1.00 0.00 C ATOM 891 OD1 ASP A 64 5.082 16.236 -6.079 1.00 0.00 O ATOM 892 OD2 ASP A 64 4.544 16.330 -8.209 1.00 0.00 O ATOM 0 H ASP A 64 3.119 12.158 -6.345 1.00 0.00 H new ATOM 0 HA ASP A 64 4.574 14.189 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.275 13.692 -7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.769 14.576 -7.395 1.00 0.00 H new ATOM 896 N GLN A 65 1.439 14.141 -4.471 1.00 0.00 N ATOM 897 CA GLN A 65 0.322 14.793 -3.799 1.00 0.00 C ATOM 898 C GLN A 65 0.724 15.267 -2.407 1.00 0.00 C ATOM 899 O GLN A 65 0.155 16.222 -1.877 1.00 0.00 O ATOM 900 CB GLN A 65 -0.869 13.837 -3.702 1.00 0.00 C ATOM 901 CG GLN A 65 -0.826 12.935 -2.479 1.00 0.00 C ATOM 902 CD GLN A 65 0.160 11.794 -2.630 1.00 0.00 C ATOM 903 OE1 GLN A 65 1.321 11.904 -2.234 1.00 0.00 O ATOM 904 NE2 GLN A 65 -0.296 10.688 -3.206 1.00 0.00 N ATOM 0 H GLN A 65 1.300 13.147 -4.653 1.00 0.00 H new ATOM 0 HA GLN A 65 0.034 15.663 -4.388 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.791 14.419 -3.682 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.902 13.218 -4.599 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.559 13.528 -1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.821 12.529 -2.297 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.265 10.639 -3.520 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.323 9.888 -3.335 1.00 0.00 H new ATOM 911 N ASP A 66 1.708 14.594 -1.820 1.00 0.00 N ATOM 912 CA ASP A 66 2.187 14.947 -0.489 1.00 0.00 C ATOM 913 C ASP A 66 3.334 14.036 -0.065 1.00 0.00 C ATOM 914 O ASP A 66 4.212 14.439 0.698 1.00 0.00 O ATOM 915 CB ASP A 66 1.046 14.858 0.527 1.00 0.00 C ATOM 916 CG ASP A 66 0.643 16.216 1.065 1.00 0.00 C ATOM 917 OD1 ASP A 66 -0.532 16.601 0.886 1.00 0.00 O ATOM 918 OD2 ASP A 66 1.501 16.896 1.665 1.00 0.00 O ATOM 0 H ASP A 66 2.189 13.801 -2.245 1.00 0.00 H new ATOM 0 HA ASP A 66 2.555 15.973 -0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.183 14.385 0.059 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.350 14.218 1.355 1.00 0.00 H new ATOM 922 N GLY A 67 3.321 12.803 -0.565 1.00 0.00 N ATOM 923 CA GLY A 67 4.364 11.854 -0.226 1.00 0.00 C ATOM 924 C GLY A 67 3.845 10.687 0.589 1.00 0.00 C ATOM 925 O GLY A 67 4.540 9.687 0.766 1.00 0.00 O ATOM 0 H GLY A 67 2.606 12.446 -1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.821 11.479 -1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.147 12.365 0.335 1.00 0.00 H new ATOM 929 N ARG A 68 2.620 10.815 1.088 1.00 0.00 N ATOM 930 CA ARG A 68 2.008 9.763 1.891 1.00 0.00 C ATOM 931 C ARG A 68 1.565 8.597 1.013 1.00 0.00 C ATOM 932 O ARG A 68 1.917 8.524 -0.165 1.00 0.00 O ATOM 933 CB ARG A 68 0.810 10.315 2.666 1.00 0.00 C ATOM 934 CG ARG A 68 1.059 11.686 3.275 1.00 0.00 C ATOM 935 CD ARG A 68 2.276 11.679 4.187 1.00 0.00 C ATOM 936 NE ARG A 68 2.074 12.501 5.376 1.00 0.00 N ATOM 937 CZ ARG A 68 3.062 12.902 6.169 1.00 0.00 C ATOM 938 NH1 ARG A 68 4.313 12.559 5.899 1.00 0.00 N ATOM 939 NH2 ARG A 68 2.797 13.650 7.233 1.00 0.00 N ATOM 0 H ARG A 68 2.032 11.637 0.950 1.00 0.00 H new ATOM 0 HA ARG A 68 2.754 9.400 2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.049 10.374 1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.548 9.616 3.460 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.203 12.418 2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.181 11.999 3.840 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.498 10.655 4.488 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.143 12.044 3.637 1.00 0.00 H new ATOM 0 HE ARG A 68 1.122 12.783 5.611 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.519 11.986 5.081 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.070 12.868 6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.835 13.917 7.442 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.555 13.958 7.842 1.00 0.00 H new ATOM 950 N ILE A 69 0.791 7.686 1.594 1.00 0.00 N ATOM 951 CA ILE A 69 0.300 6.524 0.864 1.00 0.00 C ATOM 952 C ILE A 69 -1.069 6.090 1.379 1.00 0.00 C ATOM 953 O ILE A 69 -1.183 5.510 2.458 1.00 0.00 O ATOM 954 CB ILE A 69 1.276 5.337 0.972 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.677 5.758 0.523 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.777 4.163 0.142 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.716 4.672 0.690 1.00 0.00 C ATOM 0 H ILE A 69 0.491 7.730 2.568 1.00 0.00 H new ATOM 0 HA ILE A 69 0.216 6.821 -0.181 1.00 0.00 H new ATOM 0 HB ILE A 69 1.329 5.023 2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.640 6.056 -0.525 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.984 6.635 1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.477 3.332 0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.202 3.851 0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.698 4.464 -0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.685 5.040 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.782 4.390 1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.432 3.802 0.098 1.00 0.00 H new ATOM 968 N SER A 70 -2.106 6.373 0.596 1.00 0.00 N ATOM 969 CA SER A 70 -3.468 6.015 0.972 1.00 0.00 C ATOM 970 C SER A 70 -3.753 4.552 0.650 1.00 0.00 C ATOM 971 O SER A 70 -3.116 3.960 -0.222 1.00 0.00 O ATOM 972 CB SER A 70 -4.473 6.914 0.250 1.00 0.00 C ATOM 973 OG SER A 70 -5.109 6.219 -0.809 1.00 0.00 O ATOM 0 H SER A 70 -2.028 6.849 -0.303 1.00 0.00 H new ATOM 0 HA SER A 70 -3.571 6.159 2.047 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.222 7.269 0.958 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.963 7.794 -0.143 1.00 0.00 H new ATOM 0 HG SER A 70 -5.748 6.814 -1.254 1.00 0.00 H new ATOM 978 N PHE A 71 -4.716 3.972 1.361 1.00 0.00 N ATOM 979 CA PHE A 71 -5.085 2.577 1.152 1.00 0.00 C ATOM 980 C PHE A 71 -5.206 2.263 -0.336 1.00 0.00 C ATOM 981 O PHE A 71 -4.819 1.185 -0.787 1.00 0.00 O ATOM 982 CB PHE A 71 -6.407 2.267 1.858 1.00 0.00 C ATOM 983 CG PHE A 71 -6.701 0.798 1.962 1.00 0.00 C ATOM 984 CD1 PHE A 71 -5.676 -0.115 2.150 1.00 0.00 C ATOM 985 CD2 PHE A 71 -8.002 0.329 1.871 1.00 0.00 C ATOM 986 CE1 PHE A 71 -5.943 -1.468 2.247 1.00 0.00 C ATOM 987 CE2 PHE A 71 -8.274 -1.021 1.968 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.243 -1.922 2.154 1.00 0.00 C ATOM 0 H PHE A 71 -5.254 4.447 2.086 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.298 1.952 1.575 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.384 2.697 2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.220 2.755 1.320 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.657 0.234 2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.812 1.028 1.723 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.135 -2.169 2.395 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.293 -1.373 1.899 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.454 -2.979 2.226 1.00 0.00 H new ATOM 997 N ASP A 72 -5.744 3.212 -1.093 1.00 0.00 N ATOM 998 CA ASP A 72 -5.915 3.039 -2.531 1.00 0.00 C ATOM 999 C ASP A 72 -4.592 2.669 -3.195 1.00 0.00 C ATOM 1000 O ASP A 72 -4.508 1.684 -3.927 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.475 4.316 -3.158 1.00 0.00 C ATOM 1002 CG ASP A 72 -6.409 4.295 -4.673 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -5.325 4.580 -5.224 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -7.442 3.992 -5.306 1.00 0.00 O ATOM 0 H ASP A 72 -6.070 4.110 -0.735 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.622 2.225 -2.692 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.511 4.447 -2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.917 5.175 -2.785 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.561 3.468 -2.934 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.243 3.224 -3.508 1.00 0.00 C ATOM 1010 C GLU A 73 -1.736 1.834 -3.136 1.00 0.00 C ATOM 1011 O GLU A 73 -1.243 1.093 -3.987 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.251 4.287 -3.031 1.00 0.00 C ATOM 1013 CG GLU A 73 -1.052 5.423 -4.021 1.00 0.00 C ATOM 1014 CD GLU A 73 -1.934 6.619 -3.719 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -2.424 7.251 -4.679 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -2.132 6.924 -2.525 1.00 0.00 O ATOM 0 H GLU A 73 -3.613 4.288 -2.330 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.331 3.280 -4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.600 4.699 -2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.289 3.813 -2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.007 5.734 -4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.265 5.064 -5.028 1.00 0.00 H new ATOM 1021 N PHE A 74 -1.858 1.488 -1.859 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.411 0.188 -1.374 1.00 0.00 C ATOM 1023 C PHE A 74 -2.017 -0.940 -2.202 1.00 0.00 C ATOM 1024 O PHE A 74 -1.305 -1.824 -2.682 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.788 0.013 0.099 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.638 -1.397 0.593 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -0.523 -1.774 1.324 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -2.612 -2.347 0.326 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -0.382 -3.071 1.781 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -2.476 -3.645 0.780 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.360 -4.008 1.508 1.00 0.00 C ATOM 0 H PHE A 74 -2.263 2.090 -1.142 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.326 0.145 -1.473 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.165 0.670 0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.821 0.332 0.242 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.245 -1.046 1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.487 -2.069 -0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.492 -3.352 2.351 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -3.242 -4.375 0.566 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.252 -5.022 1.863 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.335 -0.905 -2.366 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.036 -1.924 -3.137 1.00 0.00 C ATOM 1042 C ILE A 75 -3.497 -2.004 -4.561 1.00 0.00 C ATOM 1043 O ILE A 75 -3.021 -3.051 -4.999 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.550 -1.647 -3.189 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.134 -1.620 -1.775 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.252 -2.698 -4.037 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.050 -2.949 -1.060 1.00 0.00 C ATOM 0 H ILE A 75 -3.939 -0.182 -1.975 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.865 -2.875 -2.632 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.710 -0.671 -3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.608 -0.867 -1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.178 -1.311 -1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.321 -2.489 -4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.852 -2.674 -5.051 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.086 -3.685 -3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.483 -2.854 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.600 -3.701 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.006 -3.251 -0.975 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.572 -0.888 -5.280 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.089 -0.830 -6.655 1.00 0.00 C ATOM 1060 C LYS A 76 -1.643 -1.306 -6.744 1.00 0.00 C ATOM 1061 O LYS A 76 -1.207 -1.807 -7.780 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.202 0.596 -7.197 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.236 0.671 -8.713 1.00 0.00 C ATOM 1064 CD LYS A 76 -1.865 0.984 -9.287 1.00 0.00 C ATOM 1065 CE LYS A 76 -1.970 1.727 -10.610 1.00 0.00 C ATOM 1066 NZ LYS A 76 -1.943 3.204 -10.419 1.00 0.00 N ATOM 0 H LYS A 76 -3.963 -0.012 -4.933 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.709 -1.492 -7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.106 1.056 -6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.359 1.182 -6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.593 -0.276 -9.117 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.945 1.438 -9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.300 1.585 -8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.310 0.057 -9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.147 1.430 -11.260 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.894 1.443 -11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.017 3.675 -11.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.743 3.491 -9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.051 3.479 -9.961 1.00 0.00 H new ATOM 1076 N ILE A 77 -0.903 -1.145 -5.650 1.00 0.00 N ATOM 1077 CA ILE A 77 0.493 -1.560 -5.606 1.00 0.00 C ATOM 1078 C ILE A 77 0.614 -3.055 -5.334 1.00 0.00 C ATOM 1079 O ILE A 77 1.495 -3.726 -5.872 1.00 0.00 O ATOM 1080 CB ILE A 77 1.276 -0.789 -4.527 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.453 0.674 -4.942 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.626 -1.444 -4.282 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.631 1.616 -3.773 1.00 0.00 C ATOM 0 H ILE A 77 -1.248 -0.731 -4.784 1.00 0.00 H new ATOM 0 HA ILE A 77 0.919 -1.335 -6.584 1.00 0.00 H new ATOM 0 HB ILE A 77 0.708 -0.817 -3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.319 0.755 -5.598 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.584 0.987 -5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.167 -0.887 -3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.477 -2.470 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.203 -1.445 -5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.751 2.635 -4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.754 1.564 -3.127 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.517 1.329 -3.206 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.279 -3.572 -4.496 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.274 -4.990 -4.151 1.00 0.00 C ATOM 1096 C PHE A 78 -0.663 -5.843 -5.355 1.00 0.00 C ATOM 1097 O PHE A 78 -0.142 -6.942 -5.546 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.235 -5.258 -2.991 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.348 -6.711 -2.632 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -0.244 -7.545 -2.700 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -2.562 -7.245 -2.226 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -0.345 -8.883 -2.369 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -2.668 -8.583 -1.893 1.00 0.00 C ATOM 1104 CZ PHE A 78 -1.559 -9.402 -1.967 1.00 0.00 C ATOM 0 H PHE A 78 -1.015 -3.031 -4.043 1.00 0.00 H new ATOM 0 HA PHE A 78 0.737 -5.261 -3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.901 -4.700 -2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.223 -4.878 -3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.708 -7.144 -3.016 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.433 -6.609 -2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.524 -9.521 -2.425 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.618 -8.987 -1.575 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.641 -10.448 -1.711 1.00 0.00 H new ATOM 1113 N HIS A 79 -1.582 -5.328 -6.166 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.041 -6.041 -7.352 1.00 0.00 C ATOM 1115 C HIS A 79 -1.188 -5.685 -8.565 1.00 0.00 C ATOM 1116 O HIS A 79 -0.945 -6.522 -9.434 1.00 0.00 O ATOM 1117 CB HIS A 79 -3.508 -5.717 -7.633 1.00 0.00 C ATOM 1118 CG HIS A 79 -4.442 -6.844 -7.319 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.163 -7.515 -8.284 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -4.770 -7.420 -6.138 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -5.896 -8.454 -7.711 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -5.675 -8.417 -6.409 1.00 0.00 N ATOM 0 H HIS A 79 -2.023 -4.420 -6.023 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.943 -7.110 -7.162 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -3.797 -4.843 -7.049 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.617 -5.448 -8.684 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.391 -7.146 -5.165 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.562 -9.135 -8.220 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.107 -9.030 -5.717 1.00 0.00 H new ATOM 1129 N GLY A 80 -0.735 -4.435 -8.618 1.00 0.00 N ATOM 1130 CA GLY A 80 0.085 -3.990 -9.730 1.00 0.00 C ATOM 1131 C GLY A 80 -0.609 -4.159 -11.067 1.00 0.00 C ATOM 1132 O GLY A 80 -0.035 -4.710 -12.007 1.00 0.00 O ATOM 0 H GLY A 80 -0.921 -3.724 -7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.344 -2.941 -9.589 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.019 -4.551 -9.736 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.848 -3.685 -11.153 1.00 0.00 N ATOM 1137 CA LEU A 81 -2.622 -3.788 -12.385 1.00 0.00 C ATOM 1138 C LEU A 81 -3.430 -2.517 -12.627 1.00 0.00 C ATOM 1139 O LEU A 81 -4.064 -1.988 -11.714 1.00 0.00 O ATOM 1140 CB LEU A 81 -3.557 -4.997 -12.324 1.00 0.00 C ATOM 1141 CG LEU A 81 -2.894 -6.366 -12.474 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -3.467 -7.350 -11.466 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -3.068 -6.891 -13.892 1.00 0.00 C ATOM 0 H LEU A 81 -2.337 -3.226 -10.385 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.925 -3.917 -13.213 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.086 -4.974 -11.371 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.307 -4.891 -13.108 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.828 -6.255 -12.277 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.983 -8.319 -11.588 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.290 -6.981 -10.456 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.539 -7.457 -11.631 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.590 -7.866 -13.980 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.130 -6.986 -14.117 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.609 -6.197 -14.596 1.00 0.00 H new ATOM 1154 N LYS A 82 -3.404 -2.033 -13.865 1.00 0.00 N ATOM 1155 CA LYS A 82 -4.137 -0.827 -14.229 1.00 0.00 C ATOM 1156 C LYS A 82 -5.602 -0.934 -13.819 1.00 0.00 C ATOM 1157 O LYS A 82 -6.041 -0.278 -12.874 1.00 0.00 O ATOM 1158 CB LYS A 82 -4.036 -0.581 -15.737 1.00 0.00 C ATOM 1159 CG LYS A 82 -2.721 0.050 -16.164 1.00 0.00 C ATOM 1160 CD LYS A 82 -2.854 0.768 -17.496 1.00 0.00 C ATOM 1161 CE LYS A 82 -3.294 2.212 -17.310 1.00 0.00 C ATOM 1162 NZ LYS A 82 -2.213 3.049 -16.722 1.00 0.00 N ATOM 0 H LYS A 82 -2.883 -2.458 -14.632 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.690 0.013 -13.697 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.161 -1.529 -16.260 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.857 0.065 -16.047 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.390 0.755 -15.401 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.954 -0.721 -16.240 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.899 0.742 -18.021 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.576 0.244 -18.122 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.592 2.628 -18.272 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.171 2.244 -16.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.414 4.053 -16.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.166 2.884 -15.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.303 2.795 -17.156 1.00 0.00 H new TER 1172 LYS A 82