USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 401 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 10 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 12 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.0087) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0737 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0176 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.422 K(o=-0.42,f=-1.3) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 56:sc= 1.26 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -2.01 X(o=-2,f=-1.7) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.0257 X(o=-0.026,f=-0.39) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 7.811 -0.319 -12.228 1.00 0.00 N ATOM 81 CA ALA A 9 7.446 -1.545 -11.530 1.00 0.00 C ATOM 82 C ALA A 9 7.832 -1.475 -10.057 1.00 0.00 C ATOM 83 O ALA A 9 7.845 -2.489 -9.360 1.00 0.00 O ATOM 84 CB ALA A 9 8.104 -2.746 -12.194 1.00 0.00 C ATOM 0 HA ALA A 9 6.364 -1.658 -11.589 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.823 -3.655 -11.662 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.774 -2.815 -13.231 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.187 -2.629 -12.165 1.00 0.00 H new ATOM 90 N GLN A 10 8.148 -0.271 -9.589 1.00 0.00 N ATOM 91 CA GLN A 10 8.537 -0.070 -8.198 1.00 0.00 C ATOM 92 C GLN A 10 7.406 -0.467 -7.255 1.00 0.00 C ATOM 93 O GLN A 10 6.233 -0.492 -7.627 1.00 0.00 O ATOM 94 CB GLN A 10 8.925 1.390 -7.962 1.00 0.00 C ATOM 95 CG GLN A 10 10.348 1.718 -8.385 1.00 0.00 C ATOM 96 CD GLN A 10 10.438 2.170 -9.829 1.00 0.00 C ATOM 97 OE1 GLN A 10 11.076 1.520 -10.657 1.00 0.00 O ATOM 98 NE2 GLN A 10 9.796 3.291 -10.140 1.00 0.00 N ATOM 0 H GLN A 10 8.142 0.579 -10.153 1.00 0.00 H new ATOM 0 HA GLN A 10 9.398 -0.705 -7.991 1.00 0.00 H new ATOM 0 HB2 GLN A 10 8.235 2.033 -8.508 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.807 1.622 -6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.744 2.501 -7.738 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.977 0.839 -8.244 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.279 3.799 -9.422 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.820 3.644 -11.097 1.00 0.00 H new ATOM 107 N PRO A 11 7.765 -0.787 -6.002 1.00 0.00 N ATOM 108 CA PRO A 11 6.796 -1.189 -4.979 1.00 0.00 C ATOM 109 C PRO A 11 5.909 -0.031 -4.534 1.00 0.00 C ATOM 110 O PRO A 11 4.748 -0.228 -4.177 1.00 0.00 O ATOM 111 CB PRO A 11 7.678 -1.663 -3.821 1.00 0.00 C ATOM 112 CG PRO A 11 8.965 -0.936 -4.004 1.00 0.00 C ATOM 113 CD PRO A 11 9.145 -0.780 -5.489 1.00 0.00 C ATOM 0 HA PRO A 11 6.107 -1.950 -5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.225 -1.430 -2.857 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.825 -2.743 -3.851 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.938 0.035 -3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.794 -1.493 -3.567 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.661 0.148 -5.736 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.735 -1.594 -5.910 1.00 0.00 H new ATOM 121 N ASN A 12 6.464 1.176 -4.558 1.00 0.00 N ATOM 122 CA ASN A 12 5.722 2.366 -4.157 1.00 0.00 C ATOM 123 C ASN A 12 5.130 3.074 -5.372 1.00 0.00 C ATOM 124 O ASN A 12 3.933 3.356 -5.416 1.00 0.00 O ATOM 125 CB ASN A 12 6.634 3.325 -3.388 1.00 0.00 C ATOM 126 CG ASN A 12 7.722 2.599 -2.621 1.00 0.00 C ATOM 127 OD1 ASN A 12 8.902 2.934 -2.728 1.00 0.00 O ATOM 128 ND2 ASN A 12 7.328 1.598 -1.842 1.00 0.00 N ATOM 0 H ASN A 12 7.424 1.356 -4.851 1.00 0.00 H new ATOM 0 HA ASN A 12 4.904 2.053 -3.508 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.092 4.025 -4.087 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.035 3.913 -2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.014 1.072 -1.301 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.339 1.356 -1.784 1.00 0.00 H new ATOM 135 N ALA A 13 5.977 3.358 -6.356 1.00 0.00 N ATOM 136 CA ALA A 13 5.538 4.030 -7.572 1.00 0.00 C ATOM 137 C ALA A 13 4.160 3.538 -8.004 1.00 0.00 C ATOM 138 O ALA A 13 3.252 4.335 -8.240 1.00 0.00 O ATOM 139 CB ALA A 13 6.550 3.817 -8.688 1.00 0.00 C ATOM 0 H ALA A 13 6.972 3.133 -6.334 1.00 0.00 H new ATOM 0 HA ALA A 13 5.465 5.097 -7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.209 4.325 -9.590 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.515 4.223 -8.386 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.652 2.750 -8.888 1.00 0.00 H new ATOM 145 N ILE A 14 4.012 2.221 -8.105 1.00 0.00 N ATOM 146 CA ILE A 14 2.745 1.624 -8.509 1.00 0.00 C ATOM 147 C ILE A 14 1.625 2.011 -7.549 1.00 0.00 C ATOM 148 O ILE A 14 0.596 2.548 -7.962 1.00 0.00 O ATOM 149 CB ILE A 14 2.842 0.089 -8.574 1.00 0.00 C ATOM 150 CG1 ILE A 14 3.974 -0.333 -9.513 1.00 0.00 C ATOM 151 CG2 ILE A 14 1.518 -0.506 -9.031 1.00 0.00 C ATOM 152 CD1 ILE A 14 4.292 -1.811 -9.451 1.00 0.00 C ATOM 0 H ILE A 14 4.754 1.548 -7.913 1.00 0.00 H new ATOM 0 HA ILE A 14 2.517 2.008 -9.503 1.00 0.00 H new ATOM 0 HB ILE A 14 3.063 -0.289 -7.576 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.704 -0.070 -10.536 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.871 0.234 -9.265 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.602 -1.592 -9.072 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.733 -0.229 -8.328 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.270 -0.124 -10.021 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.104 -2.038 -10.142 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.594 -2.076 -8.438 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.408 -2.385 -9.728 1.00 0.00 H new ATOM 164 N LEU A 15 1.832 1.737 -6.265 1.00 0.00 N ATOM 165 CA LEU A 15 0.841 2.059 -5.245 1.00 0.00 C ATOM 166 C LEU A 15 0.403 3.516 -5.351 1.00 0.00 C ATOM 167 O LEU A 15 -0.700 3.873 -4.938 1.00 0.00 O ATOM 168 CB LEU A 15 1.408 1.785 -3.851 1.00 0.00 C ATOM 169 CG LEU A 15 1.181 0.378 -3.298 1.00 0.00 C ATOM 170 CD1 LEU A 15 2.180 0.071 -2.193 1.00 0.00 C ATOM 171 CD2 LEU A 15 -0.245 0.229 -2.787 1.00 0.00 C ATOM 0 H LEU A 15 2.677 1.293 -5.906 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.030 1.425 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.481 1.976 -3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.971 2.502 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 15 1.333 -0.338 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.003 -0.935 -1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.193 0.135 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.061 0.792 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.388 -0.779 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.425 0.954 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.945 0.405 -3.604 1.00 0.00 H new ATOM 183 N GLU A 16 1.273 4.351 -5.909 1.00 0.00 N ATOM 184 CA GLU A 16 0.974 5.769 -6.071 1.00 0.00 C ATOM 185 C GLU A 16 0.194 6.018 -7.359 1.00 0.00 C ATOM 186 O GLU A 16 -0.698 6.865 -7.405 1.00 0.00 O ATOM 187 CB GLU A 16 2.266 6.588 -6.079 1.00 0.00 C ATOM 188 CG GLU A 16 2.061 8.053 -5.730 1.00 0.00 C ATOM 189 CD GLU A 16 3.351 8.745 -5.335 1.00 0.00 C ATOM 190 OE1 GLU A 16 4.321 8.684 -6.120 1.00 0.00 O ATOM 191 OE2 GLU A 16 3.392 9.346 -4.241 1.00 0.00 O ATOM 0 H GLU A 16 2.190 4.071 -6.256 1.00 0.00 H new ATOM 0 HA GLU A 16 0.359 6.082 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.969 6.149 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.724 6.519 -7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.624 8.568 -6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.346 8.131 -4.911 1.00 0.00 H new ATOM 198 N LYS A 17 0.537 5.273 -8.404 1.00 0.00 N ATOM 199 CA LYS A 17 -0.129 5.410 -9.694 1.00 0.00 C ATOM 200 C LYS A 17 -1.563 4.895 -9.622 1.00 0.00 C ATOM 201 O LYS A 17 -2.472 5.474 -10.217 1.00 0.00 O ATOM 202 CB LYS A 17 0.644 4.649 -10.774 1.00 0.00 C ATOM 203 CG LYS A 17 -0.100 4.545 -12.094 1.00 0.00 C ATOM 204 CD LYS A 17 0.505 3.479 -12.992 1.00 0.00 C ATOM 205 CE LYS A 17 -0.156 3.464 -14.362 1.00 0.00 C ATOM 206 NZ LYS A 17 0.660 2.722 -15.363 1.00 0.00 N ATOM 0 H LYS A 17 1.273 4.567 -8.383 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.154 6.469 -9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.600 5.145 -10.943 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.866 3.645 -10.411 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.148 4.311 -11.905 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.075 5.508 -12.604 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.574 3.660 -13.104 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.395 2.501 -12.523 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.142 3.005 -14.285 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.307 4.488 -14.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.176 2.734 -16.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.592 3.175 -15.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.783 1.738 -15.050 1.00 0.00 H new ATOM 220 N VAL A 18 -1.760 3.804 -8.889 1.00 0.00 N ATOM 221 CA VAL A 18 -3.084 3.212 -8.738 1.00 0.00 C ATOM 222 C VAL A 18 -3.925 3.997 -7.737 1.00 0.00 C ATOM 223 O VAL A 18 -5.119 3.743 -7.579 1.00 0.00 O ATOM 224 CB VAL A 18 -2.994 1.745 -8.278 1.00 0.00 C ATOM 225 CG1 VAL A 18 -4.363 1.232 -7.858 1.00 0.00 C ATOM 226 CG2 VAL A 18 -2.405 0.877 -9.379 1.00 0.00 C ATOM 0 H VAL A 18 -1.019 3.312 -8.390 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.561 3.249 -9.717 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.332 1.693 -7.413 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.280 0.194 -7.536 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.742 1.838 -7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.050 1.296 -8.702 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.349 -0.156 -9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.039 0.932 -10.264 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.405 1.232 -9.626 1.00 0.00 H new ATOM 236 N PHE A 19 -3.293 4.953 -7.063 1.00 0.00 N ATOM 237 CA PHE A 19 -3.983 5.775 -6.076 1.00 0.00 C ATOM 238 C PHE A 19 -4.690 6.951 -6.745 1.00 0.00 C ATOM 239 O PHE A 19 -5.678 7.473 -6.229 1.00 0.00 O ATOM 240 CB PHE A 19 -2.994 6.290 -5.028 1.00 0.00 C ATOM 241 CG PHE A 19 -3.654 6.972 -3.864 1.00 0.00 C ATOM 242 CD1 PHE A 19 -4.039 6.249 -2.747 1.00 0.00 C ATOM 243 CD2 PHE A 19 -3.889 8.337 -3.887 1.00 0.00 C ATOM 244 CE1 PHE A 19 -4.647 6.874 -1.675 1.00 0.00 C ATOM 245 CE2 PHE A 19 -4.497 8.969 -2.818 1.00 0.00 C ATOM 246 CZ PHE A 19 -4.875 8.236 -1.710 1.00 0.00 C ATOM 0 H PHE A 19 -2.305 5.177 -7.182 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.733 5.155 -5.585 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.400 5.454 -4.659 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.304 6.987 -5.503 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.862 5.184 -2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.594 8.915 -4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.944 6.298 -0.811 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.676 10.034 -2.849 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.348 8.727 -0.872 1.00 0.00 H new ATOM 256 N THR A 20 -4.175 7.363 -7.900 1.00 0.00 N ATOM 257 CA THR A 20 -4.753 8.477 -8.640 1.00 0.00 C ATOM 258 C THR A 20 -5.251 8.028 -10.009 1.00 0.00 C ATOM 259 O THR A 20 -6.331 8.423 -10.447 1.00 0.00 O ATOM 260 CB THR A 20 -3.735 9.618 -8.825 1.00 0.00 C ATOM 261 OG1 THR A 20 -2.709 9.215 -9.739 1.00 0.00 O ATOM 262 CG2 THR A 20 -3.111 10.008 -7.494 1.00 0.00 C ATOM 0 H THR A 20 -3.359 6.941 -8.343 1.00 0.00 H new ATOM 0 HA THR A 20 -5.595 8.844 -8.052 1.00 0.00 H new ATOM 0 HB THR A 20 -4.261 10.483 -9.228 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.067 9.946 -9.853 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.396 10.815 -7.650 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.891 10.342 -6.810 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.598 9.147 -7.066 1.00 0.00 H new ATOM 270 N ALA A 21 -4.457 7.200 -10.680 1.00 0.00 N ATOM 271 CA ALA A 21 -4.819 6.695 -11.998 1.00 0.00 C ATOM 272 C ALA A 21 -6.062 5.815 -11.927 1.00 0.00 C ATOM 273 O ALA A 21 -6.835 5.738 -12.882 1.00 0.00 O ATOM 274 CB ALA A 21 -3.657 5.923 -12.605 1.00 0.00 C ATOM 0 H ALA A 21 -3.559 6.865 -10.332 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.047 7.549 -12.637 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.942 5.552 -13.589 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.794 6.581 -12.701 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.402 5.082 -11.960 1.00 0.00 H new ATOM 280 N ILE A 22 -6.247 5.152 -10.790 1.00 0.00 N ATOM 281 CA ILE A 22 -7.396 4.277 -10.595 1.00 0.00 C ATOM 282 C ILE A 22 -8.338 4.835 -9.534 1.00 0.00 C ATOM 283 O ILE A 22 -9.461 5.240 -9.835 1.00 0.00 O ATOM 284 CB ILE A 22 -6.960 2.858 -10.184 1.00 0.00 C ATOM 285 CG1 ILE A 22 -5.886 2.334 -11.139 1.00 0.00 C ATOM 286 CG2 ILE A 22 -8.159 1.921 -10.160 1.00 0.00 C ATOM 287 CD1 ILE A 22 -6.359 2.211 -12.571 1.00 0.00 C ATOM 0 H ILE A 22 -5.616 5.204 -9.990 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.919 4.225 -11.550 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.537 2.900 -9.180 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.025 3.001 -11.105 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.547 1.358 -10.792 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.834 0.922 -9.868 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.893 2.288 -9.443 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.609 1.881 -11.152 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.546 1.834 -13.192 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.201 1.521 -12.618 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.671 3.189 -12.937 1.00 0.00 H new ATOM 299 N THR A 23 -7.872 4.855 -8.289 1.00 0.00 N ATOM 300 CA THR A 23 -8.672 5.364 -7.182 1.00 0.00 C ATOM 301 C THR A 23 -7.862 5.405 -5.892 1.00 0.00 C ATOM 302 O THR A 23 -6.874 4.685 -5.743 1.00 0.00 O ATOM 303 CB THR A 23 -9.931 4.506 -6.958 1.00 0.00 C ATOM 304 OG1 THR A 23 -10.770 5.116 -5.970 1.00 0.00 O ATOM 305 CG2 THR A 23 -9.556 3.100 -6.514 1.00 0.00 C ATOM 0 H THR A 23 -6.945 4.525 -8.022 1.00 0.00 H new ATOM 0 HA THR A 23 -8.975 6.376 -7.450 1.00 0.00 H new ATOM 0 HB THR A 23 -10.471 4.440 -7.902 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.569 4.565 -5.834 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.462 2.513 -6.362 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.942 2.628 -7.281 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.996 3.151 -5.581 1.00 0.00 H new ATOM 313 N LYS A 24 -8.286 6.252 -4.959 1.00 0.00 N ATOM 314 CA LYS A 24 -7.601 6.386 -3.679 1.00 0.00 C ATOM 315 C LYS A 24 -8.057 5.306 -2.702 1.00 0.00 C ATOM 316 O LYS A 24 -7.296 4.878 -1.834 1.00 0.00 O ATOM 317 CB LYS A 24 -7.859 7.771 -3.082 1.00 0.00 C ATOM 318 CG LYS A 24 -7.504 8.913 -4.018 1.00 0.00 C ATOM 319 CD LYS A 24 -7.490 10.247 -3.291 1.00 0.00 C ATOM 320 CE LYS A 24 -7.310 11.407 -4.258 1.00 0.00 C ATOM 321 NZ LYS A 24 -7.219 12.712 -3.547 1.00 0.00 N ATOM 0 H LYS A 24 -9.101 6.856 -5.066 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.532 6.266 -3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.911 7.850 -2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.283 7.874 -2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.526 8.730 -4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.223 8.951 -4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.422 10.372 -2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.683 10.255 -2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.407 11.251 -4.848 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.147 11.431 -4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.097 13.477 -4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.091 12.873 -3.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.405 12.698 -2.899 1.00 0.00 H new ATOM 335 N HIS A 25 -9.304 4.870 -2.850 1.00 0.00 N ATOM 336 CA HIS A 25 -9.861 3.839 -1.982 1.00 0.00 C ATOM 337 C HIS A 25 -10.130 2.557 -2.764 1.00 0.00 C ATOM 338 O HIS A 25 -11.258 2.272 -3.167 1.00 0.00 O ATOM 339 CB HIS A 25 -11.153 4.333 -1.331 1.00 0.00 C ATOM 340 CG HIS A 25 -11.072 5.744 -0.834 1.00 0.00 C ATOM 341 ND1 HIS A 25 -10.752 6.066 0.468 1.00 0.00 N ATOM 342 CD2 HIS A 25 -11.269 6.921 -1.473 1.00 0.00 C ATOM 343 CE1 HIS A 25 -10.758 7.379 0.609 1.00 0.00 C ATOM 344 NE2 HIS A 25 -11.068 7.922 -0.555 1.00 0.00 N ATOM 0 H HIS A 25 -9.947 5.215 -3.563 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.130 3.622 -1.203 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.966 4.257 -2.053 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.404 3.677 -0.498 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.535 7.049 -2.512 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.546 7.917 1.521 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.145 8.922 -0.741 1.00 0.00 H new ATOM 353 N PRO A 26 -9.071 1.765 -2.985 1.00 0.00 N ATOM 354 CA PRO A 26 -9.167 0.501 -3.721 1.00 0.00 C ATOM 355 C PRO A 26 -9.927 -0.568 -2.942 1.00 0.00 C ATOM 356 O PRO A 26 -10.376 -0.329 -1.820 1.00 0.00 O ATOM 357 CB PRO A 26 -7.706 0.087 -3.910 1.00 0.00 C ATOM 358 CG PRO A 26 -6.978 0.746 -2.789 1.00 0.00 C ATOM 359 CD PRO A 26 -7.697 2.042 -2.534 1.00 0.00 C ATOM 0 HA PRO A 26 -9.716 0.616 -4.656 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.593 -0.997 -3.873 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.324 0.414 -4.877 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.980 0.117 -1.899 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.935 0.923 -3.052 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.668 2.317 -1.480 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.250 2.866 -3.090 1.00 0.00 H new ATOM 367 N ASP A 27 -10.066 -1.744 -3.542 1.00 0.00 N ATOM 368 CA ASP A 27 -10.770 -2.850 -2.902 1.00 0.00 C ATOM 369 C ASP A 27 -9.903 -4.105 -2.878 1.00 0.00 C ATOM 370 O ASP A 27 -8.852 -4.156 -3.516 1.00 0.00 O ATOM 371 CB ASP A 27 -12.083 -3.137 -3.632 1.00 0.00 C ATOM 372 CG ASP A 27 -13.047 -3.951 -2.791 1.00 0.00 C ATOM 373 OD1 ASP A 27 -13.521 -3.430 -1.761 1.00 0.00 O ATOM 374 OD2 ASP A 27 -13.326 -5.110 -3.164 1.00 0.00 O ATOM 0 H ASP A 27 -9.701 -1.957 -4.470 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.990 -2.562 -1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.554 -2.194 -3.910 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.871 -3.672 -4.558 1.00 0.00 H new ATOM 379 N GLU A 28 -10.350 -5.113 -2.136 1.00 0.00 N ATOM 380 CA GLU A 28 -9.613 -6.366 -2.027 1.00 0.00 C ATOM 381 C GLU A 28 -9.050 -6.786 -3.382 1.00 0.00 C ATOM 382 O GLU A 28 -7.858 -7.065 -3.513 1.00 0.00 O ATOM 383 CB GLU A 28 -10.517 -7.470 -1.475 1.00 0.00 C ATOM 384 CG GLU A 28 -10.957 -7.235 -0.039 1.00 0.00 C ATOM 385 CD GLU A 28 -9.827 -7.425 0.955 1.00 0.00 C ATOM 386 OE1 GLU A 28 -9.321 -8.560 1.069 1.00 0.00 O ATOM 387 OE2 GLU A 28 -9.450 -6.436 1.619 1.00 0.00 O ATOM 0 H GLU A 28 -11.218 -5.086 -1.602 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.782 -6.209 -1.340 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.401 -7.555 -2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.990 -8.423 -1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.353 -6.224 0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.770 -7.919 0.205 1.00 0.00 H new ATOM 394 N LYS A 29 -9.916 -6.828 -4.388 1.00 0.00 N ATOM 395 CA LYS A 29 -9.508 -7.213 -5.734 1.00 0.00 C ATOM 396 C LYS A 29 -8.265 -6.442 -6.167 1.00 0.00 C ATOM 397 O LYS A 29 -7.309 -7.024 -6.679 1.00 0.00 O ATOM 398 CB LYS A 29 -10.647 -6.962 -6.726 1.00 0.00 C ATOM 399 CG LYS A 29 -11.749 -8.006 -6.662 1.00 0.00 C ATOM 400 CD LYS A 29 -11.449 -9.189 -7.566 1.00 0.00 C ATOM 401 CE LYS A 29 -12.422 -10.334 -7.326 1.00 0.00 C ATOM 402 NZ LYS A 29 -12.034 -11.153 -6.144 1.00 0.00 N ATOM 0 H LYS A 29 -10.906 -6.600 -4.297 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.270 -8.277 -5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.077 -5.979 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.239 -6.938 -7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.865 -8.352 -5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.697 -7.554 -6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.505 -8.875 -8.608 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.430 -9.533 -7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.425 -9.933 -7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.461 -10.969 -8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.721 -11.922 -6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.088 -11.556 -6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.022 -10.553 -5.295 1.00 0.00 H new ATOM 416 N ARG A 30 -8.285 -5.130 -5.956 1.00 0.00 N ATOM 417 CA ARG A 30 -7.159 -4.280 -6.324 1.00 0.00 C ATOM 418 C ARG A 30 -5.885 -4.727 -5.613 1.00 0.00 C ATOM 419 O ARG A 30 -4.897 -5.088 -6.254 1.00 0.00 O ATOM 420 CB ARG A 30 -7.461 -2.820 -5.981 1.00 0.00 C ATOM 421 CG ARG A 30 -6.649 -1.823 -6.792 1.00 0.00 C ATOM 422 CD ARG A 30 -7.361 -1.442 -8.081 1.00 0.00 C ATOM 423 NE ARG A 30 -7.055 -2.366 -9.169 1.00 0.00 N ATOM 424 CZ ARG A 30 -7.623 -2.303 -10.369 1.00 0.00 C ATOM 425 NH1 ARG A 30 -8.521 -1.364 -10.631 1.00 0.00 N ATOM 426 NH2 ARG A 30 -7.291 -3.179 -11.308 1.00 0.00 N ATOM 0 H ARG A 30 -9.068 -4.633 -5.532 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.005 -4.369 -7.399 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.522 -2.629 -6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.267 -2.657 -4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.469 -0.928 -6.196 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.674 -2.251 -7.026 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.437 -1.427 -7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.071 -0.432 -8.371 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.368 -3.100 -8.999 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.777 -0.688 -9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.956 -1.317 -11.552 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.599 -3.902 -11.109 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.727 -3.130 -12.229 1.00 0.00 H new ATOM 440 N LEU A 31 -5.914 -4.701 -4.285 1.00 0.00 N ATOM 441 CA LEU A 31 -4.762 -5.103 -3.486 1.00 0.00 C ATOM 442 C LEU A 31 -4.246 -6.471 -3.924 1.00 0.00 C ATOM 443 O LEU A 31 -3.042 -6.669 -4.080 1.00 0.00 O ATOM 444 CB LEU A 31 -5.132 -5.136 -2.002 1.00 0.00 C ATOM 445 CG LEU A 31 -5.804 -3.878 -1.450 1.00 0.00 C ATOM 446 CD1 LEU A 31 -6.744 -4.233 -0.308 1.00 0.00 C ATOM 447 CD2 LEU A 31 -4.759 -2.872 -0.990 1.00 0.00 C ATOM 0 H LEU A 31 -6.723 -4.406 -3.739 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.970 -4.370 -3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.797 -5.983 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.225 -5.322 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.390 -3.423 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.213 -3.326 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.513 -4.916 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.180 -4.712 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.256 -1.984 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.145 -3.317 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.126 -2.594 -1.833 1.00 0.00 H new ATOM 459 N GLU A 32 -5.167 -7.409 -4.121 1.00 0.00 N ATOM 460 CA GLU A 32 -4.805 -8.757 -4.542 1.00 0.00 C ATOM 461 C GLU A 32 -3.885 -8.719 -5.758 1.00 0.00 C ATOM 462 O GLU A 32 -2.948 -9.508 -5.867 1.00 0.00 O ATOM 463 CB GLU A 32 -6.061 -9.570 -4.864 1.00 0.00 C ATOM 464 CG GLU A 32 -6.830 -10.015 -3.632 1.00 0.00 C ATOM 465 CD GLU A 32 -6.197 -11.212 -2.950 1.00 0.00 C ATOM 466 OE1 GLU A 32 -4.966 -11.384 -3.077 1.00 0.00 O ATOM 467 OE2 GLU A 32 -6.930 -11.977 -2.289 1.00 0.00 O ATOM 0 H GLU A 32 -6.168 -7.260 -3.996 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.272 -9.235 -3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.718 -8.973 -5.496 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.776 -10.449 -5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.887 -9.187 -2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.853 -10.262 -3.916 1.00 0.00 H new ATOM 474 N GLY A 33 -4.160 -7.793 -6.672 1.00 0.00 N ATOM 475 CA GLY A 33 -3.349 -7.668 -7.869 1.00 0.00 C ATOM 476 C GLY A 33 -1.975 -7.097 -7.582 1.00 0.00 C ATOM 477 O GLY A 33 -0.981 -7.523 -8.171 1.00 0.00 O ATOM 0 H GLY A 33 -4.930 -7.127 -6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.242 -8.647 -8.335 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.862 -7.028 -8.587 1.00 0.00 H new ATOM 481 N LEU A 34 -1.917 -6.127 -6.675 1.00 0.00 N ATOM 482 CA LEU A 34 -0.654 -5.494 -6.312 1.00 0.00 C ATOM 483 C LEU A 34 0.258 -6.478 -5.586 1.00 0.00 C ATOM 484 O LEU A 34 1.477 -6.448 -5.753 1.00 0.00 O ATOM 485 CB LEU A 34 -0.909 -4.271 -5.430 1.00 0.00 C ATOM 486 CG LEU A 34 -1.212 -2.965 -6.165 1.00 0.00 C ATOM 487 CD1 LEU A 34 -1.666 -1.894 -5.185 1.00 0.00 C ATOM 488 CD2 LEU A 34 0.008 -2.496 -6.943 1.00 0.00 C ATOM 0 H LEU A 34 -2.730 -5.762 -6.178 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.158 -5.175 -7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.745 -4.494 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.034 -4.115 -4.798 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.021 -3.147 -6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.877 -0.972 -5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.568 -2.229 -4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.879 -1.713 -4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.226 -1.565 -7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.837 -2.331 -6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.288 -3.256 -7.673 1.00 0.00 H new ATOM 500 N SER A 35 -0.341 -7.349 -4.781 1.00 0.00 N ATOM 501 CA SER A 35 0.418 -8.341 -4.028 1.00 0.00 C ATOM 502 C SER A 35 1.563 -8.900 -4.866 1.00 0.00 C ATOM 503 O SER A 35 2.648 -9.176 -4.353 1.00 0.00 O ATOM 504 CB SER A 35 -0.499 -9.478 -3.573 1.00 0.00 C ATOM 505 OG SER A 35 0.252 -10.559 -3.046 1.00 0.00 O ATOM 0 H SER A 35 -1.349 -7.388 -4.633 1.00 0.00 H new ATOM 0 HA SER A 35 0.839 -7.850 -3.151 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.192 -9.110 -2.817 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.099 -9.824 -4.414 1.00 0.00 H new ATOM 0 HG SER A 35 0.819 -10.237 -2.314 1.00 0.00 H new ATOM 511 N LYS A 36 1.314 -9.066 -6.161 1.00 0.00 N ATOM 512 CA LYS A 36 2.323 -9.591 -7.074 1.00 0.00 C ATOM 513 C LYS A 36 3.432 -8.570 -7.304 1.00 0.00 C ATOM 514 O LYS A 36 4.584 -8.798 -6.936 1.00 0.00 O ATOM 515 CB LYS A 36 1.682 -9.974 -8.409 1.00 0.00 C ATOM 516 CG LYS A 36 2.653 -10.604 -9.392 1.00 0.00 C ATOM 517 CD LYS A 36 1.924 -11.286 -10.538 1.00 0.00 C ATOM 518 CE LYS A 36 1.510 -12.702 -10.170 1.00 0.00 C ATOM 519 NZ LYS A 36 1.111 -13.492 -11.368 1.00 0.00 N ATOM 0 H LYS A 36 0.421 -8.844 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 36 2.761 -10.480 -6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.864 -10.670 -8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.246 -9.083 -8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.319 -9.838 -9.788 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.277 -11.331 -8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.041 -10.706 -10.806 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.568 -11.311 -11.417 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.336 -13.202 -9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.679 -12.666 -9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.836 -14.451 -11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.307 -13.029 -11.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.912 -13.548 -12.029 1.00 0.00 H new ATOM 533 N GLN A 37 3.076 -7.444 -7.914 1.00 0.00 N ATOM 534 CA GLN A 37 4.042 -6.388 -8.193 1.00 0.00 C ATOM 535 C GLN A 37 4.811 -6.008 -6.932 1.00 0.00 C ATOM 536 O GLN A 37 6.042 -6.048 -6.907 1.00 0.00 O ATOM 537 CB GLN A 37 3.334 -5.157 -8.763 1.00 0.00 C ATOM 538 CG GLN A 37 2.461 -5.463 -9.969 1.00 0.00 C ATOM 539 CD GLN A 37 2.191 -4.237 -10.820 1.00 0.00 C ATOM 540 OE1 GLN A 37 1.095 -3.678 -10.793 1.00 0.00 O ATOM 541 NE2 GLN A 37 3.193 -3.812 -11.581 1.00 0.00 N ATOM 0 H GLN A 37 2.126 -7.240 -8.224 1.00 0.00 H new ATOM 0 HA GLN A 37 4.751 -6.764 -8.930 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.718 -4.708 -7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.082 -4.416 -9.045 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.946 -6.225 -10.580 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.513 -5.881 -9.630 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.085 -4.306 -11.572 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.070 -2.991 -12.174 1.00 0.00 H new ATOM 550 N LEU A 38 4.079 -5.638 -5.887 1.00 0.00 N ATOM 551 CA LEU A 38 4.693 -5.250 -4.622 1.00 0.00 C ATOM 552 C LEU A 38 5.374 -6.443 -3.959 1.00 0.00 C ATOM 553 O LEU A 38 6.354 -6.284 -3.231 1.00 0.00 O ATOM 554 CB LEU A 38 3.639 -4.662 -3.681 1.00 0.00 C ATOM 555 CG LEU A 38 2.636 -3.699 -4.315 1.00 0.00 C ATOM 556 CD1 LEU A 38 1.635 -3.211 -3.279 1.00 0.00 C ATOM 557 CD2 LEU A 38 3.358 -2.523 -4.957 1.00 0.00 C ATOM 0 H LEU A 38 3.060 -5.598 -5.891 1.00 0.00 H new ATOM 0 HA LEU A 38 5.449 -4.493 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.086 -5.485 -3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.153 -4.140 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 38 2.091 -4.234 -5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.929 -2.526 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.094 -4.063 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.163 -2.694 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.628 -1.848 -5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.930 -1.989 -4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.034 -2.889 -5.730 1.00 0.00 H new ATOM 569 N ASP A 39 4.851 -7.636 -4.218 1.00 0.00 N ATOM 570 CA ASP A 39 5.411 -8.856 -3.649 1.00 0.00 C ATOM 571 C ASP A 39 5.136 -8.933 -2.150 1.00 0.00 C ATOM 572 O ASP A 39 5.880 -9.570 -1.405 1.00 0.00 O ATOM 573 CB ASP A 39 6.917 -8.920 -3.908 1.00 0.00 C ATOM 574 CG ASP A 39 7.459 -10.334 -3.822 1.00 0.00 C ATOM 575 OD1 ASP A 39 6.716 -11.276 -4.167 1.00 0.00 O ATOM 576 OD2 ASP A 39 8.627 -10.498 -3.410 1.00 0.00 O ATOM 0 H ASP A 39 4.040 -7.784 -4.818 1.00 0.00 H new ATOM 0 HA ASP A 39 4.931 -9.707 -4.132 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.131 -8.511 -4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.435 -8.291 -3.184 1.00 0.00 H new ATOM 581 N TRP A 40 4.065 -8.279 -1.716 1.00 0.00 N ATOM 582 CA TRP A 40 3.693 -8.273 -0.306 1.00 0.00 C ATOM 583 C TRP A 40 2.356 -8.974 -0.092 1.00 0.00 C ATOM 584 O TRP A 40 1.751 -9.479 -1.039 1.00 0.00 O ATOM 585 CB TRP A 40 3.618 -6.837 0.216 1.00 0.00 C ATOM 586 CG TRP A 40 4.787 -5.994 -0.195 1.00 0.00 C ATOM 587 CD1 TRP A 40 6.015 -6.436 -0.596 1.00 0.00 C ATOM 588 CD2 TRP A 40 4.838 -4.564 -0.242 1.00 0.00 C ATOM 589 NE1 TRP A 40 6.827 -5.367 -0.891 1.00 0.00 N ATOM 590 CE2 TRP A 40 6.127 -4.207 -0.683 1.00 0.00 C ATOM 591 CE3 TRP A 40 3.919 -3.550 0.042 1.00 0.00 C ATOM 592 CZ2 TRP A 40 6.518 -2.881 -0.843 1.00 0.00 C ATOM 593 CZ3 TRP A 40 4.308 -2.234 -0.118 1.00 0.00 C ATOM 594 CH2 TRP A 40 5.598 -1.909 -0.557 1.00 0.00 C ATOM 0 H TRP A 40 3.439 -7.746 -2.320 1.00 0.00 H new ATOM 0 HA TRP A 40 4.459 -8.815 0.248 1.00 0.00 H new ATOM 0 HB2 TRP A 40 2.700 -6.374 -0.146 1.00 0.00 H new ATOM 0 HB3 TRP A 40 3.558 -6.856 1.304 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.306 -7.473 -0.670 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.793 -5.427 -1.212 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.922 -3.791 0.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.512 -2.628 -1.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.606 -1.443 0.099 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.872 -0.871 -0.672 1.00 0.00 H new ATOM 605 N ASP A 41 1.900 -9.003 1.155 1.00 0.00 N ATOM 606 CA ASP A 41 0.634 -9.643 1.492 1.00 0.00 C ATOM 607 C ASP A 41 -0.528 -8.668 1.327 1.00 0.00 C ATOM 608 O ASP A 41 -0.388 -7.471 1.580 1.00 0.00 O ATOM 609 CB ASP A 41 0.671 -10.172 2.926 1.00 0.00 C ATOM 610 CG ASP A 41 -0.394 -11.220 3.185 1.00 0.00 C ATOM 611 OD1 ASP A 41 -0.711 -11.986 2.251 1.00 0.00 O ATOM 612 OD2 ASP A 41 -0.911 -11.274 4.320 1.00 0.00 O ATOM 0 H ASP A 41 2.388 -8.591 1.950 1.00 0.00 H new ATOM 0 HA ASP A 41 0.485 -10.479 0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.653 -10.599 3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.536 -9.342 3.620 1.00 0.00 H new ATOM 617 N VAL A 42 -1.674 -9.188 0.900 1.00 0.00 N ATOM 618 CA VAL A 42 -2.860 -8.364 0.701 1.00 0.00 C ATOM 619 C VAL A 42 -3.050 -7.385 1.855 1.00 0.00 C ATOM 620 O VAL A 42 -3.622 -6.309 1.681 1.00 0.00 O ATOM 621 CB VAL A 42 -4.128 -9.228 0.562 1.00 0.00 C ATOM 622 CG1 VAL A 42 -5.362 -8.349 0.433 1.00 0.00 C ATOM 623 CG2 VAL A 42 -4.004 -10.167 -0.629 1.00 0.00 C ATOM 0 H VAL A 42 -1.806 -10.176 0.685 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.706 -7.807 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.236 -9.833 1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.248 -8.977 0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.457 -7.723 1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.267 -7.716 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.908 -10.770 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.871 -9.584 -1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.143 -10.821 -0.489 1.00 0.00 H new ATOM 633 N ARG A 43 -2.565 -7.766 3.032 1.00 0.00 N ATOM 634 CA ARG A 43 -2.682 -6.922 4.215 1.00 0.00 C ATOM 635 C ARG A 43 -1.523 -5.933 4.293 1.00 0.00 C ATOM 636 O ARG A 43 -1.693 -4.796 4.735 1.00 0.00 O ATOM 637 CB ARG A 43 -2.718 -7.783 5.480 1.00 0.00 C ATOM 638 CG ARG A 43 -3.867 -8.777 5.507 1.00 0.00 C ATOM 639 CD ARG A 43 -5.120 -8.163 6.112 1.00 0.00 C ATOM 640 NE ARG A 43 -4.963 -7.890 7.538 1.00 0.00 N ATOM 641 CZ ARG A 43 -5.975 -7.599 8.347 1.00 0.00 C ATOM 642 NH1 ARG A 43 -7.213 -7.546 7.872 1.00 0.00 N ATOM 643 NH2 ARG A 43 -5.752 -7.363 9.633 1.00 0.00 N ATOM 0 H ARG A 43 -2.088 -8.653 3.192 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.613 -6.360 4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.777 -8.326 5.567 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.792 -7.132 6.351 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.080 -9.117 4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.576 -9.655 6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.358 -7.236 5.590 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.963 -8.838 5.963 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.024 -7.925 7.935 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.388 -7.729 6.884 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.989 -7.322 8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.802 -7.405 10.002 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.531 -7.140 10.253 1.00 0.00 H new ATOM 657 N SER A 44 -0.345 -6.373 3.862 1.00 0.00 N ATOM 658 CA SER A 44 0.842 -5.527 3.887 1.00 0.00 C ATOM 659 C SER A 44 0.683 -4.338 2.944 1.00 0.00 C ATOM 660 O SER A 44 1.295 -3.288 3.144 1.00 0.00 O ATOM 661 CB SER A 44 2.080 -6.339 3.498 1.00 0.00 C ATOM 662 OG SER A 44 2.256 -7.447 4.364 1.00 0.00 O ATOM 0 H SER A 44 -0.187 -7.310 3.491 1.00 0.00 H new ATOM 0 HA SER A 44 0.967 -5.149 4.902 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.981 -6.689 2.470 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.963 -5.701 3.534 1.00 0.00 H new ATOM 0 HG SER A 44 3.052 -7.950 4.094 1.00 0.00 H new ATOM 668 N ILE A 45 -0.142 -4.512 1.918 1.00 0.00 N ATOM 669 CA ILE A 45 -0.383 -3.454 0.945 1.00 0.00 C ATOM 670 C ILE A 45 -1.218 -2.330 1.550 1.00 0.00 C ATOM 671 O ILE A 45 -0.794 -1.175 1.577 1.00 0.00 O ATOM 672 CB ILE A 45 -1.100 -3.993 -0.308 1.00 0.00 C ATOM 673 CG1 ILE A 45 -0.350 -5.203 -0.869 1.00 0.00 C ATOM 674 CG2 ILE A 45 -1.220 -2.902 -1.361 1.00 0.00 C ATOM 675 CD1 ILE A 45 -1.042 -5.849 -2.049 1.00 0.00 C ATOM 0 H ILE A 45 -0.655 -5.375 1.739 1.00 0.00 H new ATOM 0 HA ILE A 45 0.593 -3.064 0.656 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.104 -4.310 -0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.650 -4.892 -1.170 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.229 -5.944 -0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.729 -3.299 -2.240 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.792 -2.067 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.225 -2.557 -1.643 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.454 -6.699 -2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.032 -6.191 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.139 -5.123 -2.856 1.00 0.00 H new ATOM 687 N GLN A 46 -2.406 -2.678 2.035 1.00 0.00 N ATOM 688 CA GLN A 46 -3.299 -1.698 2.641 1.00 0.00 C ATOM 689 C GLN A 46 -2.521 -0.714 3.507 1.00 0.00 C ATOM 690 O GLN A 46 -2.719 0.498 3.418 1.00 0.00 O ATOM 691 CB GLN A 46 -4.367 -2.402 3.482 1.00 0.00 C ATOM 692 CG GLN A 46 -5.560 -2.883 2.672 1.00 0.00 C ATOM 693 CD GLN A 46 -6.765 -3.195 3.537 1.00 0.00 C ATOM 694 OE1 GLN A 46 -7.500 -2.296 3.945 1.00 0.00 O ATOM 695 NE2 GLN A 46 -6.973 -4.475 3.821 1.00 0.00 N ATOM 0 H GLN A 46 -2.772 -3.630 2.020 1.00 0.00 H new ATOM 0 HA GLN A 46 -3.785 -1.142 1.839 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -3.915 -3.255 3.989 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.716 -1.719 4.257 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.830 -2.120 1.942 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.279 -3.775 2.112 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.338 -5.187 3.461 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.768 -4.746 4.399 1.00 0.00 H new ATOM 704 N ARG A 47 -1.635 -1.242 4.345 1.00 0.00 N ATOM 705 CA ARG A 47 -0.827 -0.409 5.228 1.00 0.00 C ATOM 706 C ARG A 47 -0.352 0.848 4.506 1.00 0.00 C ATOM 707 O ARG A 47 -0.423 1.951 5.048 1.00 0.00 O ATOM 708 CB ARG A 47 0.377 -1.197 5.747 1.00 0.00 C ATOM 709 CG ARG A 47 0.057 -2.083 6.940 1.00 0.00 C ATOM 710 CD ARG A 47 1.320 -2.516 7.667 1.00 0.00 C ATOM 711 NE ARG A 47 1.031 -3.427 8.772 1.00 0.00 N ATOM 712 CZ ARG A 47 1.948 -4.191 9.354 1.00 0.00 C ATOM 713 NH1 ARG A 47 3.207 -4.154 8.939 1.00 0.00 N ATOM 714 NH2 ARG A 47 1.607 -4.994 10.353 1.00 0.00 N ATOM 0 H ARG A 47 -1.458 -2.243 4.431 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.448 -0.110 6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.770 -1.816 4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.165 -0.498 6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.595 -1.546 7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.491 -2.963 6.604 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.995 -3.003 6.963 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.838 -1.636 8.049 1.00 0.00 H new ATOM 0 HE ARG A 47 0.072 -3.479 9.115 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.473 -3.538 8.171 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.909 -4.742 9.388 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.640 -5.025 10.675 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.312 -5.580 10.799 1.00 0.00 H new ATOM 728 N TRP A 48 0.131 0.674 3.281 1.00 0.00 N ATOM 729 CA TRP A 48 0.618 1.795 2.485 1.00 0.00 C ATOM 730 C TRP A 48 -0.524 2.735 2.114 1.00 0.00 C ATOM 731 O TRP A 48 -0.420 3.950 2.284 1.00 0.00 O ATOM 732 CB TRP A 48 1.307 1.286 1.218 1.00 0.00 C ATOM 733 CG TRP A 48 2.013 2.363 0.452 1.00 0.00 C ATOM 734 CD1 TRP A 48 3.347 2.652 0.483 1.00 0.00 C ATOM 735 CD2 TRP A 48 1.419 3.296 -0.458 1.00 0.00 C ATOM 736 NE1 TRP A 48 3.619 3.709 -0.352 1.00 0.00 N ATOM 737 CE2 TRP A 48 2.454 4.121 -0.942 1.00 0.00 C ATOM 738 CE3 TRP A 48 0.116 3.514 -0.913 1.00 0.00 C ATOM 739 CZ2 TRP A 48 2.222 5.146 -1.856 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -0.112 4.531 -1.819 1.00 0.00 C ATOM 741 CH2 TRP A 48 0.937 5.337 -2.284 1.00 0.00 C ATOM 0 H TRP A 48 0.196 -0.232 2.817 1.00 0.00 H new ATOM 0 HA TRP A 48 1.340 2.349 3.085 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.026 0.513 1.490 1.00 0.00 H new ATOM 0 HB3 TRP A 48 0.564 0.818 0.572 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.081 2.127 1.077 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.540 4.120 -0.507 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.699 2.898 -0.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.029 5.768 -2.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.116 4.709 -2.176 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.726 6.123 -2.994 1.00 0.00 H new ATOM 752 N PHE A 49 -1.612 2.167 1.606 1.00 0.00 N ATOM 753 CA PHE A 49 -2.773 2.956 1.211 1.00 0.00 C ATOM 754 C PHE A 49 -3.323 3.746 2.395 1.00 0.00 C ATOM 755 O PHE A 49 -3.389 4.975 2.357 1.00 0.00 O ATOM 756 CB PHE A 49 -3.863 2.047 0.639 1.00 0.00 C ATOM 757 CG PHE A 49 -3.754 1.840 -0.844 1.00 0.00 C ATOM 758 CD1 PHE A 49 -4.051 2.869 -1.724 1.00 0.00 C ATOM 759 CD2 PHE A 49 -3.355 0.618 -1.360 1.00 0.00 C ATOM 760 CE1 PHE A 49 -3.953 2.681 -3.090 1.00 0.00 C ATOM 761 CE2 PHE A 49 -3.255 0.424 -2.724 1.00 0.00 C ATOM 762 CZ PHE A 49 -3.553 1.457 -3.591 1.00 0.00 C ATOM 0 H PHE A 49 -1.714 1.163 1.458 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.457 3.661 0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.816 1.079 1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.839 2.476 0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.362 3.828 -1.338 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.119 -0.193 -0.687 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.189 3.490 -3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.944 -0.535 -3.112 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.474 1.308 -4.658 1.00 0.00 H new ATOM 772 N ARG A 50 -3.716 3.031 3.444 1.00 0.00 N ATOM 773 CA ARG A 50 -4.262 3.664 4.638 1.00 0.00 C ATOM 774 C ARG A 50 -3.368 4.811 5.103 1.00 0.00 C ATOM 775 O ARG A 50 -3.856 5.848 5.550 1.00 0.00 O ATOM 776 CB ARG A 50 -4.416 2.637 5.761 1.00 0.00 C ATOM 777 CG ARG A 50 -3.091 2.139 6.317 1.00 0.00 C ATOM 778 CD ARG A 50 -3.294 1.283 7.558 1.00 0.00 C ATOM 779 NE ARG A 50 -3.797 2.064 8.685 1.00 0.00 N ATOM 780 CZ ARG A 50 -3.766 1.641 9.944 1.00 0.00 C ATOM 781 NH1 ARG A 50 -3.260 0.451 10.234 1.00 0.00 N ATOM 782 NH2 ARG A 50 -4.243 2.410 10.915 1.00 0.00 N ATOM 0 H ARG A 50 -3.666 2.013 3.491 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.243 4.068 4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.996 3.080 6.570 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.987 1.786 5.388 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.570 1.559 5.555 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.455 2.990 6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.994 0.479 7.333 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.349 0.815 7.834 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.194 2.984 8.495 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.893 -0.142 9.490 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.237 0.128 11.201 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.634 3.326 10.695 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.219 2.085 11.881 1.00 0.00 H new ATOM 796 N GLN A 51 -2.058 4.615 4.994 1.00 0.00 N ATOM 797 CA GLN A 51 -1.097 5.632 5.403 1.00 0.00 C ATOM 798 C GLN A 51 -1.117 6.817 4.445 1.00 0.00 C ATOM 799 O GLN A 51 -1.168 7.971 4.870 1.00 0.00 O ATOM 800 CB GLN A 51 0.311 5.037 5.468 1.00 0.00 C ATOM 801 CG GLN A 51 0.513 4.078 6.630 1.00 0.00 C ATOM 802 CD GLN A 51 0.888 4.790 7.915 1.00 0.00 C ATOM 803 OE1 GLN A 51 1.771 5.648 7.928 1.00 0.00 O ATOM 804 NE2 GLN A 51 0.218 4.436 9.006 1.00 0.00 N ATOM 0 H GLN A 51 -1.638 3.761 4.626 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.381 5.985 6.394 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.518 4.513 4.535 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.036 5.847 5.546 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.402 3.508 6.789 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.294 3.362 6.374 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.506 3.720 8.950 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.428 4.880 9.900 1.00 0.00 H new ATOM 813 N ARG A 52 -1.076 6.525 3.149 1.00 0.00 N ATOM 814 CA ARG A 52 -1.088 7.568 2.130 1.00 0.00 C ATOM 815 C ARG A 52 -2.385 8.369 2.187 1.00 0.00 C ATOM 816 O ARG A 52 -2.407 9.557 1.864 1.00 0.00 O ATOM 817 CB ARG A 52 -0.917 6.953 0.739 1.00 0.00 C ATOM 818 CG ARG A 52 -0.448 7.946 -0.312 1.00 0.00 C ATOM 819 CD ARG A 52 1.007 8.334 -0.102 1.00 0.00 C ATOM 820 NE ARG A 52 1.337 9.595 -0.760 1.00 0.00 N ATOM 821 CZ ARG A 52 2.538 10.161 -0.704 1.00 0.00 C ATOM 822 NH1 ARG A 52 3.517 9.580 -0.024 1.00 0.00 N ATOM 823 NH2 ARG A 52 2.761 11.310 -1.330 1.00 0.00 N ATOM 0 H ARG A 52 -1.034 5.575 2.780 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.255 8.243 2.327 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.200 6.134 0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.867 6.523 0.422 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.570 7.512 -1.304 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.073 8.839 -0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.209 8.418 0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.652 7.544 -0.487 1.00 0.00 H new ATOM 0 HE ARG A 52 0.606 10.067 -1.292 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.349 8.697 0.458 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.438 10.016 0.017 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.010 11.759 -1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.683 11.744 -1.287 1.00 0.00 H new ATOM 837 N ARG A 53 -3.464 7.711 2.600 1.00 0.00 N ATOM 838 CA ARG A 53 -4.765 8.362 2.698 1.00 0.00 C ATOM 839 C ARG A 53 -4.773 9.395 3.821 1.00 0.00 C ATOM 840 O ARG A 53 -5.309 10.491 3.666 1.00 0.00 O ATOM 841 CB ARG A 53 -5.861 7.323 2.938 1.00 0.00 C ATOM 842 CG ARG A 53 -6.382 6.681 1.663 1.00 0.00 C ATOM 843 CD ARG A 53 -7.838 6.264 1.803 1.00 0.00 C ATOM 844 NE ARG A 53 -7.998 5.129 2.707 1.00 0.00 N ATOM 845 CZ ARG A 53 -7.608 3.893 2.412 1.00 0.00 C ATOM 846 NH1 ARG A 53 -7.039 3.636 1.243 1.00 0.00 N ATOM 847 NH2 ARG A 53 -7.788 2.913 3.287 1.00 0.00 N ATOM 0 H ARG A 53 -3.463 6.728 2.872 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.959 8.874 1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.474 6.544 3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.691 7.797 3.461 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.281 7.382 0.834 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.775 5.809 1.419 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.422 7.107 2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.237 6.005 0.822 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.433 5.293 3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.900 4.387 0.568 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.740 2.687 1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.226 3.107 4.187 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.488 1.965 3.060 1.00 0.00 H new ATOM 861 N ASN A 54 -4.174 9.036 4.953 1.00 0.00 N ATOM 862 CA ASN A 54 -4.114 9.931 6.102 1.00 0.00 C ATOM 863 C ASN A 54 -3.614 11.313 5.690 1.00 0.00 C ATOM 864 O ASN A 54 -4.295 12.316 5.897 1.00 0.00 O ATOM 865 CB ASN A 54 -3.200 9.347 7.182 1.00 0.00 C ATOM 866 CG ASN A 54 -2.941 10.326 8.311 1.00 0.00 C ATOM 867 OD1 ASN A 54 -3.860 10.979 8.805 1.00 0.00 O ATOM 868 ND2 ASN A 54 -1.683 10.432 8.724 1.00 0.00 N ATOM 0 H ASN A 54 -3.724 8.132 5.098 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.122 10.034 6.504 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.652 8.442 7.586 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.251 9.056 6.732 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.447 11.075 9.480 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.953 9.871 8.285 1.00 0.00 H new