USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 314 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 LYS NZ :NH3+ 150:sc= -6.69! (180deg=-8.16!) USER MOD Set 1.2: A 46 TYR OH : rot 1:sc= -0.458 USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= -0.273 USER MOD Set 2.2: A 38 THR OG1 : rot 180:sc= -0.435 USER MOD Set 2.3: A 39 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 15 HIS : no HD1:sc= -0.174 K(o=-2.2,f=-3) USER MOD Set 3.2: A 44 LYS NZ :NH3+ -115:sc= -2.01! (180deg=-5.2!) USER MOD Set 4.1: A 4 GLN : amide:sc= 0 X(o=0,f=0.31) USER MOD Set 4.2: A 53 GLN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0462 USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0703) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.595 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N GLN A 4 1.106 6.053 2.325 1.00 0.00 N ATOM 56 CA GLN A 4 0.702 4.872 1.573 1.00 0.00 C ATOM 57 C GLN A 4 1.868 3.899 1.447 1.00 0.00 C ATOM 58 O GLN A 4 1.683 2.712 1.187 1.00 0.00 O ATOM 59 CB GLN A 4 0.192 5.258 0.182 1.00 0.00 C ATOM 60 CG GLN A 4 -1.318 5.173 0.051 1.00 0.00 C ATOM 61 CD GLN A 4 -2.003 6.504 0.290 1.00 0.00 C ATOM 62 OE1 GLN A 4 -1.622 7.261 1.182 1.00 0.00 O ATOM 63 NE2 GLN A 4 -3.022 6.797 -0.511 1.00 0.00 N ATOM 0 HA GLN A 4 -0.109 4.387 2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 4 0.513 6.275 -0.046 1.00 0.00 H new ATOM 0 HB3 GLN A 4 0.651 4.605 -0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.572 4.812 -0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.699 4.440 0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.305 6.140 -1.238 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.522 7.679 -0.399 1.00 0.00 H new ATOM 70 N GLU A 5 3.075 4.408 1.646 1.00 0.00 N ATOM 71 CA GLU A 5 4.269 3.595 1.542 1.00 0.00 C ATOM 72 C GLU A 5 4.351 2.560 2.663 1.00 0.00 C ATOM 73 O GLU A 5 4.887 1.470 2.466 1.00 0.00 O ATOM 74 CB GLU A 5 5.499 4.480 1.530 1.00 0.00 C ATOM 75 CG GLU A 5 6.787 3.724 1.269 1.00 0.00 C ATOM 76 CD GLU A 5 7.895 4.619 0.748 1.00 0.00 C ATOM 77 OE1 GLU A 5 7.591 5.750 0.315 1.00 0.00 O ATOM 78 OE2 GLU A 5 9.067 4.188 0.774 1.00 0.00 O ATOM 0 H GLU A 5 3.249 5.385 1.881 1.00 0.00 H new ATOM 0 HA GLU A 5 4.221 3.044 0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.377 5.248 0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.576 4.993 2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.116 3.245 2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.597 2.930 0.547 1.00 0.00 H new ATOM 85 N GLU A 6 3.835 2.903 3.841 1.00 0.00 N ATOM 86 CA GLU A 6 3.873 1.980 4.974 1.00 0.00 C ATOM 87 C GLU A 6 3.123 0.689 4.654 1.00 0.00 C ATOM 88 O GLU A 6 3.693 -0.405 4.705 1.00 0.00 O ATOM 89 CB GLU A 6 3.269 2.639 6.215 1.00 0.00 C ATOM 90 CG GLU A 6 4.160 3.707 6.830 1.00 0.00 C ATOM 91 CD GLU A 6 3.369 4.845 7.443 1.00 0.00 C ATOM 92 OE1 GLU A 6 2.149 4.677 7.648 1.00 0.00 O ATOM 93 OE2 GLU A 6 3.971 5.904 7.718 1.00 0.00 O ATOM 0 H GLU A 6 3.391 3.801 4.036 1.00 0.00 H new ATOM 0 HA GLU A 6 4.916 1.732 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.311 3.085 5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.067 1.871 6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.789 3.253 7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.826 4.104 6.064 1.00 0.00 H new ATOM 100 N LEU A 7 1.864 0.818 4.258 1.00 0.00 N ATOM 101 CA LEU A 7 1.079 -0.349 3.889 1.00 0.00 C ATOM 102 C LEU A 7 1.547 -0.882 2.543 1.00 0.00 C ATOM 103 O LEU A 7 1.441 -2.075 2.268 1.00 0.00 O ATOM 104 CB LEU A 7 -0.421 -0.067 3.911 1.00 0.00 C ATOM 105 CG LEU A 7 -0.969 0.777 2.773 1.00 0.00 C ATOM 106 CD1 LEU A 7 -2.461 0.513 2.609 1.00 0.00 C ATOM 107 CD2 LEU A 7 -0.715 2.250 3.039 1.00 0.00 C ATOM 0 H LEU A 7 1.370 1.708 4.185 1.00 0.00 H new ATOM 0 HA LEU A 7 1.243 -1.123 4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.948 -1.021 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.661 0.430 4.851 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.459 0.504 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.850 1.120 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.621 -0.542 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.980 0.771 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.113 2.842 2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.207 2.542 3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.357 2.424 3.126 1.00 0.00 H new ATOM 113 N ALA A 8 2.076 0.007 1.704 1.00 0.00 N ATOM 114 CA ALA A 8 2.676 -0.417 0.446 1.00 0.00 C ATOM 115 C ALA A 8 3.747 -1.466 0.736 1.00 0.00 C ATOM 116 O ALA A 8 3.995 -2.370 -0.061 1.00 0.00 O ATOM 117 CB ALA A 8 3.263 0.767 -0.297 1.00 0.00 C ATOM 0 H ALA A 8 2.100 1.013 1.872 1.00 0.00 H new ATOM 0 HA ALA A 8 1.908 -0.854 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.705 0.426 -1.233 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.475 1.490 -0.510 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.031 1.238 0.317 1.00 0.00 H new ATOM 123 N ALA A 9 4.371 -1.350 1.903 1.00 0.00 N ATOM 124 CA ALA A 9 5.299 -2.367 2.353 1.00 0.00 C ATOM 125 C ALA A 9 4.492 -3.602 2.685 1.00 0.00 C ATOM 126 O ALA A 9 4.844 -4.721 2.307 1.00 0.00 O ATOM 127 CB ALA A 9 6.100 -1.883 3.552 1.00 0.00 C ATOM 0 H ALA A 9 4.249 -0.567 2.546 1.00 0.00 H new ATOM 0 HA ALA A 9 6.024 -2.595 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.789 -2.666 3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.665 -0.992 3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.421 -1.643 4.370 1.00 0.00 H new ATOM 133 N ALA A 10 3.333 -3.363 3.287 1.00 0.00 N ATOM 134 CA ALA A 10 2.381 -4.425 3.550 1.00 0.00 C ATOM 135 C ALA A 10 2.019 -5.115 2.239 1.00 0.00 C ATOM 136 O ALA A 10 1.938 -6.342 2.180 1.00 0.00 O ATOM 137 CB ALA A 10 1.144 -3.872 4.234 1.00 0.00 C ATOM 0 H ALA A 10 3.033 -2.440 3.601 1.00 0.00 H new ATOM 0 HA ALA A 10 2.831 -5.157 4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.440 -4.682 4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.427 -3.409 5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.675 -3.127 3.591 1.00 0.00 H new ATOM 143 N ARG A 11 1.859 -4.325 1.163 1.00 0.00 N ATOM 144 CA ARG A 11 1.610 -4.891 -0.158 1.00 0.00 C ATOM 145 C ARG A 11 2.696 -5.921 -0.455 1.00 0.00 C ATOM 146 O ARG A 11 2.425 -7.016 -0.946 1.00 0.00 O ATOM 147 CB ARG A 11 1.593 -3.772 -1.224 1.00 0.00 C ATOM 148 CG ARG A 11 2.192 -4.153 -2.571 1.00 0.00 C ATOM 149 CD ARG A 11 1.498 -5.357 -3.177 1.00 0.00 C ATOM 150 NE ARG A 11 2.397 -6.128 -4.039 1.00 0.00 N ATOM 151 CZ ARG A 11 2.060 -6.645 -5.225 1.00 0.00 C ATOM 152 NH1 ARG A 11 0.836 -6.495 -5.720 1.00 0.00 N ATOM 153 NH2 ARG A 11 2.960 -7.326 -5.921 1.00 0.00 N ATOM 0 H ARG A 11 1.898 -3.306 1.189 1.00 0.00 H new ATOM 0 HA ARG A 11 0.636 -5.380 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.562 -3.455 -1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.135 -2.911 -0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.116 -3.308 -3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.253 -4.369 -2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.121 -5.998 -2.380 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.635 -5.026 -3.755 1.00 0.00 H new ATOM 0 HE ARG A 11 3.350 -6.282 -3.710 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.133 -5.977 -5.193 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.600 -6.898 -6.627 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.902 -7.452 -5.551 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.710 -7.723 -6.827 1.00 0.00 H new ATOM 167 N ALA A 12 3.925 -5.566 -0.091 1.00 0.00 N ATOM 168 CA ALA A 12 5.061 -6.452 -0.270 1.00 0.00 C ATOM 169 C ALA A 12 4.761 -7.804 0.357 1.00 0.00 C ATOM 170 O ALA A 12 4.926 -8.849 -0.275 1.00 0.00 O ATOM 171 CB ALA A 12 6.300 -5.831 0.352 1.00 0.00 C ATOM 0 H ALA A 12 4.156 -4.666 0.331 1.00 0.00 H new ATOM 0 HA ALA A 12 5.246 -6.598 -1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.150 -6.500 0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.509 -4.876 -0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.132 -5.672 1.417 1.00 0.00 H new ATOM 177 N ALA A 13 4.255 -7.772 1.585 1.00 0.00 N ATOM 178 CA ALA A 13 3.847 -8.990 2.261 1.00 0.00 C ATOM 179 C ALA A 13 2.699 -9.625 1.508 1.00 0.00 C ATOM 180 O ALA A 13 2.737 -10.805 1.192 1.00 0.00 O ATOM 181 CB ALA A 13 3.427 -8.709 3.693 1.00 0.00 C ATOM 0 H ALA A 13 4.119 -6.919 2.127 1.00 0.00 H new ATOM 0 HA ALA A 13 4.698 -9.671 2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.127 -9.640 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.264 -8.272 4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.589 -8.012 3.696 1.00 0.00 H new ATOM 187 N LEU A 14 1.692 -8.815 1.196 1.00 0.00 N ATOM 188 CA LEU A 14 0.519 -9.298 0.489 1.00 0.00 C ATOM 189 C LEU A 14 0.904 -10.071 -0.761 1.00 0.00 C ATOM 190 O LEU A 14 0.447 -11.195 -0.974 1.00 0.00 O ATOM 191 CB LEU A 14 -0.394 -8.140 0.127 1.00 0.00 C ATOM 192 CG LEU A 14 -1.533 -7.881 1.106 1.00 0.00 C ATOM 193 CD1 LEU A 14 -2.227 -9.180 1.503 1.00 0.00 C ATOM 194 CD2 LEU A 14 -1.032 -7.133 2.333 1.00 0.00 C ATOM 0 H LEU A 14 1.668 -7.821 1.423 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.014 -9.977 1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.208 -7.235 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.819 -8.328 -0.859 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.269 -7.253 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.035 -8.962 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.636 -9.660 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.507 -9.847 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.862 -6.959 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.267 -7.726 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.607 -6.177 2.028 1.00 0.00 H new ATOM 200 N HIS A 15 1.784 -9.497 -1.572 1.00 0.00 N ATOM 201 CA HIS A 15 2.257 -10.197 -2.757 1.00 0.00 C ATOM 202 C HIS A 15 2.820 -11.538 -2.321 1.00 0.00 C ATOM 203 O HIS A 15 2.640 -12.560 -2.983 1.00 0.00 O ATOM 204 CB HIS A 15 3.331 -9.381 -3.478 1.00 0.00 C ATOM 205 CG HIS A 15 3.959 -10.104 -4.629 1.00 0.00 C ATOM 206 ND1 HIS A 15 3.309 -11.087 -5.346 1.00 0.00 N ATOM 207 CD2 HIS A 15 5.187 -9.983 -5.188 1.00 0.00 C ATOM 208 CE1 HIS A 15 4.109 -11.540 -6.295 1.00 0.00 C ATOM 209 NE2 HIS A 15 5.254 -10.887 -6.220 1.00 0.00 N ATOM 0 H HIS A 15 2.178 -8.566 -1.434 1.00 0.00 H new ATOM 0 HA HIS A 15 1.431 -10.342 -3.453 1.00 0.00 H new ATOM 0 HB2 HIS A 15 2.889 -8.453 -3.840 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.108 -9.107 -2.764 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.967 -9.303 -4.880 1.00 0.00 H new ATOM 0 HE1 HIS A 15 3.867 -12.313 -7.010 1.00 0.00 H new ATOM 0 HE2 HIS A 15 6.059 -11.031 -6.830 1.00 0.00 H new ATOM 218 N ASP A 16 3.441 -11.519 -1.148 1.00 0.00 N ATOM 219 CA ASP A 16 3.956 -12.722 -0.533 1.00 0.00 C ATOM 220 C ASP A 16 2.813 -13.583 0.026 1.00 0.00 C ATOM 221 O ASP A 16 2.884 -14.803 -0.010 1.00 0.00 O ATOM 222 CB ASP A 16 4.969 -12.358 0.557 1.00 0.00 C ATOM 223 CG ASP A 16 6.180 -13.270 0.548 1.00 0.00 C ATOM 224 OD1 ASP A 16 6.685 -13.576 -0.552 1.00 0.00 O ATOM 225 OD2 ASP A 16 6.622 -13.680 1.643 1.00 0.00 O ATOM 0 H ASP A 16 3.598 -10.671 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 16 4.468 -13.316 -1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.293 -11.327 0.418 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.485 -12.411 1.532 1.00 0.00 H new ATOM 230 N LEU A 17 1.739 -12.949 0.514 1.00 0.00 N ATOM 231 CA LEU A 17 0.604 -13.691 1.071 1.00 0.00 C ATOM 232 C LEU A 17 0.160 -14.758 0.084 1.00 0.00 C ATOM 233 O LEU A 17 -0.221 -15.866 0.465 1.00 0.00 O ATOM 234 CB LEU A 17 -0.563 -12.752 1.380 1.00 0.00 C ATOM 235 CG LEU A 17 -0.812 -12.495 2.863 1.00 0.00 C ATOM 236 CD1 LEU A 17 -0.040 -11.280 3.342 1.00 0.00 C ATOM 237 CD2 LEU A 17 -2.293 -12.312 3.137 1.00 0.00 C ATOM 0 H LEU A 17 1.633 -11.935 0.534 1.00 0.00 H new ATOM 0 HA LEU A 17 0.920 -14.161 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.381 -11.797 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.470 -13.169 0.942 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.460 -13.367 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.236 -11.119 4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.027 -11.444 3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.356 -10.403 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.446 -12.130 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.666 -11.462 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.832 -13.212 2.842 1.00 0.00 H new ATOM 243 N MET A 18 0.258 -14.416 -1.190 1.00 0.00 N ATOM 244 CA MET A 18 -0.099 -15.334 -2.265 1.00 0.00 C ATOM 245 C MET A 18 0.742 -16.610 -2.207 1.00 0.00 C ATOM 246 O MET A 18 0.374 -17.630 -2.790 1.00 0.00 O ATOM 247 CB MET A 18 0.095 -14.650 -3.621 1.00 0.00 C ATOM 248 CG MET A 18 -1.168 -14.602 -4.464 1.00 0.00 C ATOM 249 SD MET A 18 -1.621 -16.215 -5.130 1.00 0.00 S ATOM 250 CE MET A 18 -2.542 -15.733 -6.588 1.00 0.00 C ATOM 0 H MET A 18 0.584 -13.504 -1.509 1.00 0.00 H new ATOM 0 HA MET A 18 -1.146 -15.609 -2.140 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.452 -13.633 -3.458 1.00 0.00 H new ATOM 0 HB3 MET A 18 0.872 -15.175 -4.176 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.990 -14.220 -3.859 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.025 -13.901 -5.286 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.890 -16.624 -7.110 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.399 -15.127 -6.293 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.898 -15.154 -7.250 1.00 0.00 H new ATOM 260 N THR A 19 1.876 -16.544 -1.513 1.00 0.00 N ATOM 261 CA THR A 19 2.780 -17.689 -1.412 1.00 0.00 C ATOM 262 C THR A 19 3.601 -17.633 -0.120 1.00 0.00 C ATOM 263 O THR A 19 3.429 -18.463 0.771 1.00 0.00 O ATOM 264 CB THR A 19 3.709 -17.745 -2.635 1.00 0.00 C ATOM 265 OG1 THR A 19 4.963 -18.314 -2.295 1.00 0.00 O ATOM 266 CG2 THR A 19 3.975 -16.391 -3.264 1.00 0.00 C ATOM 0 H THR A 19 2.191 -15.712 -1.013 1.00 0.00 H new ATOM 0 HA THR A 19 2.175 -18.596 -1.387 1.00 0.00 H new ATOM 0 HB THR A 19 3.178 -18.362 -3.360 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.536 -18.341 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.638 -16.512 -4.121 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.033 -15.951 -3.593 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.445 -15.735 -2.531 1.00 0.00 H new ATOM 271 N GLY A 20 4.513 -16.667 -0.041 1.00 0.00 N ATOM 272 CA GLY A 20 5.336 -16.515 1.148 1.00 0.00 C ATOM 273 C GLY A 20 4.512 -16.206 2.384 1.00 0.00 C ATOM 274 O GLY A 20 4.309 -17.073 3.233 1.00 0.00 O ATOM 0 H GLY A 20 4.697 -15.987 -0.779 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.905 -17.430 1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.059 -15.715 0.987 1.00 0.00 H new ATOM 278 N LYS A 21 4.035 -14.966 2.478 1.00 0.00 N ATOM 279 CA LYS A 21 3.215 -14.536 3.603 1.00 0.00 C ATOM 280 C LYS A 21 2.038 -15.479 3.811 1.00 0.00 C ATOM 281 O LYS A 21 1.966 -16.561 3.229 1.00 0.00 O ATOM 282 CB LYS A 21 2.682 -13.112 3.383 1.00 0.00 C ATOM 283 CG LYS A 21 3.221 -12.102 4.376 1.00 0.00 C ATOM 284 CD LYS A 21 2.147 -11.611 5.320 1.00 0.00 C ATOM 285 CE LYS A 21 2.715 -11.281 6.691 1.00 0.00 C ATOM 286 NZ LYS A 21 2.694 -9.818 6.965 1.00 0.00 N ATOM 0 H LYS A 21 4.205 -14.239 1.783 1.00 0.00 H new ATOM 0 HA LYS A 21 3.849 -14.550 4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.938 -12.789 2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.594 -13.126 3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.030 -12.553 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.646 -11.255 3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.670 -10.725 4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.374 -12.372 5.420 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.140 -11.802 7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.739 -11.648 6.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.994 -9.644 7.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.343 -9.333 6.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.730 -9.453 6.828 1.00 0.00 H new ATOM 300 N ARG A 22 1.096 -15.021 4.610 1.00 0.00 N ATOM 301 CA ARG A 22 -0.105 -15.770 4.910 1.00 0.00 C ATOM 302 C ARG A 22 -1.220 -14.827 5.309 1.00 0.00 C ATOM 303 O ARG A 22 -2.366 -14.990 4.888 1.00 0.00 O ATOM 304 CB ARG A 22 0.166 -16.749 6.046 1.00 0.00 C ATOM 305 CG ARG A 22 -1.053 -17.560 6.451 1.00 0.00 C ATOM 306 CD ARG A 22 -1.231 -18.779 5.560 1.00 0.00 C ATOM 307 NE ARG A 22 -2.256 -19.685 6.072 1.00 0.00 N ATOM 308 CZ ARG A 22 -2.038 -20.571 7.038 1.00 0.00 C ATOM 309 NH1 ARG A 22 -0.839 -20.669 7.593 1.00 0.00 N ATOM 310 NH2 ARG A 22 -3.021 -21.362 7.449 1.00 0.00 N ATOM 0 H ARG A 22 1.143 -14.113 5.072 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.406 -16.323 4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.962 -17.430 5.746 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.529 -16.196 6.912 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.952 -17.878 7.489 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.943 -16.934 6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.501 -18.457 4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.283 -19.311 5.480 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.190 -19.635 5.666 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.081 -20.063 7.279 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.674 -21.350 8.334 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.945 -21.290 7.023 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.852 -22.042 8.191 1.00 0.00 H new ATOM 324 N VAL A 23 -0.879 -13.832 6.119 1.00 0.00 N ATOM 325 CA VAL A 23 -1.861 -12.865 6.566 1.00 0.00 C ATOM 326 C VAL A 23 -1.225 -11.520 6.867 1.00 0.00 C ATOM 327 O VAL A 23 -0.269 -11.422 7.636 1.00 0.00 O ATOM 328 CB VAL A 23 -2.614 -13.363 7.811 1.00 0.00 C ATOM 329 CG1 VAL A 23 -3.751 -12.418 8.165 1.00 0.00 C ATOM 330 CG2 VAL A 23 -3.128 -14.775 7.591 1.00 0.00 C ATOM 0 H VAL A 23 0.064 -13.678 6.475 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.571 -12.742 5.748 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.919 -13.381 8.651 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.271 -12.789 9.049 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.349 -11.426 8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.450 -12.361 7.330 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.658 -15.112 8.482 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.807 -14.786 6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.288 -15.442 7.395 1.00 0.00 H new ATOM 334 N ALA A 24 -1.775 -10.485 6.250 1.00 0.00 N ATOM 335 CA ALA A 24 -1.281 -9.133 6.431 1.00 0.00 C ATOM 336 C ALA A 24 -2.358 -8.241 7.019 1.00 0.00 C ATOM 337 O ALA A 24 -3.532 -8.362 6.673 1.00 0.00 O ATOM 338 CB ALA A 24 -0.824 -8.568 5.099 1.00 0.00 C ATOM 0 H ALA A 24 -2.570 -10.560 5.615 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.439 -9.165 7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.454 -7.553 5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.026 -9.191 4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.663 -8.554 4.403 1.00 0.00 H new ATOM 344 N THR A 25 -1.957 -7.328 7.889 1.00 0.00 N ATOM 345 CA THR A 25 -2.897 -6.381 8.453 1.00 0.00 C ATOM 346 C THR A 25 -2.187 -5.121 8.913 1.00 0.00 C ATOM 347 O THR A 25 -1.281 -5.173 9.745 1.00 0.00 O ATOM 348 CB THR A 25 -3.701 -6.998 9.593 1.00 0.00 C ATOM 349 OG1 THR A 25 -4.163 -5.998 10.485 1.00 0.00 O ATOM 350 CG2 THR A 25 -2.935 -8.010 10.393 1.00 0.00 C ATOM 0 H THR A 25 -0.996 -7.225 8.216 1.00 0.00 H new ATOM 0 HA THR A 25 -3.600 -6.109 7.665 1.00 0.00 H new ATOM 0 HB THR A 25 -4.533 -7.507 9.107 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.677 -6.416 11.207 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.571 -8.405 11.185 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.619 -8.825 9.742 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.058 -7.537 10.834 1.00 0.00 H new ATOM 355 N VAL A 26 -2.581 -3.988 8.343 1.00 0.00 N ATOM 356 CA VAL A 26 -1.943 -2.722 8.672 1.00 0.00 C ATOM 357 C VAL A 26 -2.962 -1.643 9.015 1.00 0.00 C ATOM 358 O VAL A 26 -4.151 -1.771 8.717 1.00 0.00 O ATOM 359 CB VAL A 26 -1.050 -2.216 7.519 1.00 0.00 C ATOM 360 CG1 VAL A 26 0.376 -2.715 7.690 1.00 0.00 C ATOM 361 CG2 VAL A 26 -1.612 -2.639 6.168 1.00 0.00 C ATOM 0 H VAL A 26 -3.333 -3.921 7.657 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.324 -2.917 9.548 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.039 -1.127 7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.991 -2.348 6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.778 -2.350 8.635 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.383 -3.805 7.690 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.964 -2.270 5.373 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.663 -3.727 6.119 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.612 -2.223 6.044 1.00 0.00 H new ATOM 365 N GLN A 27 -2.476 -0.572 9.635 1.00 0.00 N ATOM 366 CA GLN A 27 -3.319 0.552 10.016 1.00 0.00 C ATOM 367 C GLN A 27 -2.894 1.814 9.274 1.00 0.00 C ATOM 368 O GLN A 27 -1.725 2.200 9.306 1.00 0.00 O ATOM 369 CB GLN A 27 -3.243 0.783 11.527 1.00 0.00 C ATOM 370 CG GLN A 27 -4.364 0.109 12.303 1.00 0.00 C ATOM 371 CD GLN A 27 -3.960 -0.245 13.721 1.00 0.00 C ATOM 372 OE1 GLN A 27 -3.524 0.614 14.488 1.00 0.00 O ATOM 373 NE2 GLN A 27 -4.104 -1.516 14.077 1.00 0.00 N ATOM 0 H GLN A 27 -1.493 -0.461 9.885 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.348 0.318 9.745 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.285 0.415 11.895 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.269 1.855 11.724 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.231 0.770 12.330 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.670 -0.797 11.779 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.469 -2.195 13.409 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.849 -1.814 15.019 1.00 0.00 H new ATOM 380 N LYS A 28 -3.840 2.432 8.578 1.00 0.00 N ATOM 381 CA LYS A 28 -3.560 3.634 7.804 1.00 0.00 C ATOM 382 C LYS A 28 -4.350 4.823 8.343 1.00 0.00 C ATOM 383 O LYS A 28 -5.035 4.713 9.360 1.00 0.00 O ATOM 384 CB LYS A 28 -3.913 3.402 6.332 1.00 0.00 C ATOM 385 CG LYS A 28 -2.936 2.498 5.590 1.00 0.00 C ATOM 386 CD LYS A 28 -3.023 1.052 6.057 1.00 0.00 C ATOM 387 CE LYS A 28 -4.459 0.560 6.137 1.00 0.00 C ATOM 388 NZ LYS A 28 -5.232 0.875 4.898 1.00 0.00 N ATOM 0 H LYS A 28 -4.810 2.119 8.534 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.497 3.857 7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.910 2.966 6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.956 4.366 5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.140 2.546 4.520 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.920 2.865 5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.461 0.417 5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.554 0.959 7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.464 -0.517 6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.951 1.016 6.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.963 0.150 4.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.684 1.806 4.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.588 0.889 4.081 1.00 0.00 H new ATOM 402 N ASP A 29 -4.258 5.955 7.652 1.00 0.00 N ATOM 403 CA ASP A 29 -4.971 7.160 8.062 1.00 0.00 C ATOM 404 C ASP A 29 -6.176 7.412 7.160 1.00 0.00 C ATOM 405 O ASP A 29 -6.606 8.552 6.987 1.00 0.00 O ATOM 406 CB ASP A 29 -4.034 8.369 8.027 1.00 0.00 C ATOM 407 CG ASP A 29 -4.686 9.622 8.579 1.00 0.00 C ATOM 408 OD1 ASP A 29 -5.599 9.495 9.422 1.00 0.00 O ATOM 409 OD2 ASP A 29 -4.283 10.731 8.167 1.00 0.00 O ATOM 0 H ASP A 29 -3.698 6.063 6.807 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.326 7.013 9.082 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.136 8.146 8.603 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.717 8.550 7.000 1.00 0.00 H new ATOM 414 N GLY A 30 -6.717 6.340 6.589 1.00 0.00 N ATOM 415 CA GLY A 30 -7.866 6.468 5.711 1.00 0.00 C ATOM 416 C GLY A 30 -8.656 5.179 5.595 1.00 0.00 C ATOM 417 O GLY A 30 -9.879 5.179 5.730 1.00 0.00 O ATOM 0 H GLY A 30 -6.381 5.386 6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.518 7.257 6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.530 6.774 4.720 1.00 0.00 H new ATOM 421 N ARG A 31 -7.955 4.078 5.342 1.00 0.00 N ATOM 422 CA ARG A 31 -8.597 2.775 5.211 1.00 0.00 C ATOM 423 C ARG A 31 -7.871 1.727 6.042 1.00 0.00 C ATOM 424 O ARG A 31 -6.813 1.992 6.605 1.00 0.00 O ATOM 425 CB ARG A 31 -8.645 2.333 3.745 1.00 0.00 C ATOM 426 CG ARG A 31 -9.700 1.270 3.449 1.00 0.00 C ATOM 427 CD ARG A 31 -11.027 1.578 4.130 1.00 0.00 C ATOM 428 NE ARG A 31 -12.158 0.988 3.419 1.00 0.00 N ATOM 429 CZ ARG A 31 -12.585 1.411 2.234 1.00 0.00 C ATOM 430 NH1 ARG A 31 -11.977 2.424 1.631 1.00 0.00 N ATOM 431 NH2 ARG A 31 -13.620 0.823 1.651 1.00 0.00 N ATOM 0 H ARG A 31 -6.942 4.062 5.224 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.618 2.872 5.581 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.838 3.205 3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.666 1.947 3.461 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.853 1.201 2.372 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.338 0.297 3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.005 1.201 5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.161 2.658 4.191 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.648 0.207 3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.181 2.879 2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.306 2.748 0.721 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.090 0.044 2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.946 1.149 0.741 1.00 0.00 H new ATOM 445 N ARG A 32 -8.475 0.553 6.148 1.00 0.00 N ATOM 446 CA ARG A 32 -7.921 -0.541 6.930 1.00 0.00 C ATOM 447 C ARG A 32 -7.616 -1.746 6.045 1.00 0.00 C ATOM 448 O ARG A 32 -8.482 -2.209 5.303 1.00 0.00 O ATOM 449 CB ARG A 32 -8.933 -0.946 7.994 1.00 0.00 C ATOM 450 CG ARG A 32 -10.290 -1.291 7.405 1.00 0.00 C ATOM 451 CD ARG A 32 -10.795 -2.634 7.905 1.00 0.00 C ATOM 452 NE ARG A 32 -10.585 -3.698 6.927 1.00 0.00 N ATOM 453 CZ ARG A 32 -11.147 -3.714 5.722 1.00 0.00 C ATOM 454 NH1 ARG A 32 -11.950 -2.727 5.349 1.00 0.00 N ATOM 455 NH2 ARG A 32 -10.906 -4.717 4.889 1.00 0.00 N ATOM 0 H ARG A 32 -9.362 0.332 5.695 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.991 -0.207 7.391 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.551 -1.805 8.546 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.048 -0.132 8.710 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.008 -0.513 7.665 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.220 -1.310 6.317 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.285 -2.890 8.834 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.858 -2.558 8.135 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.973 -4.473 7.183 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.138 -1.953 5.987 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.380 -2.741 4.424 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.289 -5.478 5.172 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.338 -4.728 3.965 1.00 0.00 H new ATOM 469 N VAL A 33 -6.391 -2.259 6.123 1.00 0.00 N ATOM 470 CA VAL A 33 -6.026 -3.438 5.345 1.00 0.00 C ATOM 471 C VAL A 33 -5.668 -4.606 6.237 1.00 0.00 C ATOM 472 O VAL A 33 -4.565 -4.657 6.756 1.00 0.00 O ATOM 473 CB VAL A 33 -4.827 -3.191 4.407 1.00 0.00 C ATOM 474 CG1 VAL A 33 -4.849 -4.175 3.245 1.00 0.00 C ATOM 475 CG2 VAL A 33 -4.808 -1.762 3.899 1.00 0.00 C ATOM 0 H VAL A 33 -5.645 -1.883 6.708 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.910 -3.665 4.749 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.914 -3.350 4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.996 -3.987 2.593 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.794 -5.193 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.773 -4.050 2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.951 -1.621 3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.726 -1.560 3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.734 -1.077 4.743 1.00 0.00 H new ATOM 479 N GLU A 34 -6.597 -5.545 6.390 1.00 0.00 N ATOM 480 CA GLU A 34 -6.336 -6.786 7.118 1.00 0.00 C ATOM 481 C GLU A 34 -6.796 -7.955 6.257 1.00 0.00 C ATOM 482 O GLU A 34 -7.991 -8.128 6.022 1.00 0.00 O ATOM 483 CB GLU A 34 -7.033 -6.803 8.483 1.00 0.00 C ATOM 484 CG GLU A 34 -7.262 -5.418 9.058 1.00 0.00 C ATOM 485 CD GLU A 34 -7.238 -5.399 10.573 1.00 0.00 C ATOM 486 OE1 GLU A 34 -7.262 -6.491 11.180 1.00 0.00 O ATOM 487 OE2 GLU A 34 -7.197 -4.294 11.153 1.00 0.00 O ATOM 0 H GLU A 34 -7.544 -5.470 6.017 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.267 -6.866 7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.992 -7.312 8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.432 -7.384 9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.496 -4.741 8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.223 -5.039 8.710 1.00 0.00 H new ATOM 494 N PHE A 35 -5.843 -8.711 5.730 1.00 0.00 N ATOM 495 CA PHE A 35 -6.162 -9.766 4.780 1.00 0.00 C ATOM 496 C PHE A 35 -5.337 -11.024 4.991 1.00 0.00 C ATOM 497 O PHE A 35 -4.283 -10.998 5.628 1.00 0.00 O ATOM 498 CB PHE A 35 -5.924 -9.242 3.372 1.00 0.00 C ATOM 499 CG PHE A 35 -7.099 -8.476 2.838 1.00 0.00 C ATOM 500 CD1 PHE A 35 -7.430 -7.232 3.357 1.00 0.00 C ATOM 501 CD2 PHE A 35 -7.902 -9.024 1.857 1.00 0.00 C ATOM 502 CE1 PHE A 35 -8.529 -6.539 2.883 1.00 0.00 C ATOM 503 CE2 PHE A 35 -8.997 -8.332 1.372 1.00 0.00 C ATOM 504 CZ PHE A 35 -9.310 -7.088 1.884 1.00 0.00 C ATOM 0 H PHE A 35 -4.850 -8.614 5.942 1.00 0.00 H new ATOM 0 HA PHE A 35 -7.206 -10.040 4.932 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.044 -8.599 3.371 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.708 -10.079 2.708 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.823 -6.801 4.139 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.672 -10.004 1.464 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.776 -5.571 3.293 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.607 -8.764 0.593 1.00 0.00 H new ATOM 0 HZ PHE A 35 -10.163 -6.546 1.504 1.00 0.00 H new ATOM 514 N THR A 36 -5.820 -12.119 4.416 1.00 0.00 N ATOM 515 CA THR A 36 -5.119 -13.389 4.473 1.00 0.00 C ATOM 516 C THR A 36 -4.890 -13.927 3.069 1.00 0.00 C ATOM 517 O THR A 36 -4.944 -13.178 2.095 1.00 0.00 O ATOM 518 CB THR A 36 -5.889 -14.400 5.318 1.00 0.00 C ATOM 519 OG1 THR A 36 -6.947 -14.977 4.574 1.00 0.00 O ATOM 520 CG2 THR A 36 -6.477 -13.794 6.570 1.00 0.00 C ATOM 0 H THR A 36 -6.701 -12.149 3.902 1.00 0.00 H new ATOM 0 HA THR A 36 -4.151 -13.225 4.946 1.00 0.00 H new ATOM 0 HB THR A 36 -5.160 -15.157 5.606 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.426 -15.623 5.134 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.012 -14.562 7.129 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.677 -13.387 7.188 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.167 -12.995 6.298 1.00 0.00 H new ATOM 525 N ALA A 37 -4.631 -15.221 2.964 1.00 0.00 N ATOM 526 CA ALA A 37 -4.364 -15.832 1.672 1.00 0.00 C ATOM 527 C ALA A 37 -5.646 -16.327 1.005 1.00 0.00 C ATOM 528 O ALA A 37 -5.674 -17.409 0.418 1.00 0.00 O ATOM 529 CB ALA A 37 -3.374 -16.974 1.834 1.00 0.00 C ATOM 0 H ALA A 37 -4.600 -15.866 3.754 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.932 -15.070 1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.179 -17.427 0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.442 -16.591 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.790 -17.724 2.507 1.00 0.00 H new ATOM 535 N THR A 38 -6.702 -15.521 1.085 1.00 0.00 N ATOM 536 CA THR A 38 -7.979 -15.867 0.472 1.00 0.00 C ATOM 537 C THR A 38 -8.474 -14.717 -0.400 1.00 0.00 C ATOM 538 O THR A 38 -8.779 -14.901 -1.579 1.00 0.00 O ATOM 539 CB THR A 38 -9.016 -16.192 1.548 1.00 0.00 C ATOM 540 OG1 THR A 38 -9.424 -15.016 2.223 1.00 0.00 O ATOM 541 CG2 THR A 38 -8.512 -17.169 2.586 1.00 0.00 C ATOM 0 H THR A 38 -6.697 -14.623 1.569 1.00 0.00 H new ATOM 0 HA THR A 38 -7.836 -16.748 -0.153 1.00 0.00 H new ATOM 0 HB THR A 38 -9.851 -16.650 1.018 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.089 -15.245 2.906 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.296 -17.357 3.320 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.237 -18.106 2.101 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.639 -16.750 3.087 1.00 0.00 H new ATOM 546 N SER A 39 -8.528 -13.528 0.188 1.00 0.00 N ATOM 547 CA SER A 39 -8.955 -12.332 -0.525 1.00 0.00 C ATOM 548 C SER A 39 -7.757 -11.484 -0.953 1.00 0.00 C ATOM 549 O SER A 39 -7.912 -10.512 -1.692 1.00 0.00 O ATOM 550 CB SER A 39 -9.875 -11.497 0.365 1.00 0.00 C ATOM 551 OG SER A 39 -10.419 -12.279 1.414 1.00 0.00 O ATOM 0 H SER A 39 -8.279 -13.367 1.164 1.00 0.00 H new ATOM 0 HA SER A 39 -9.491 -12.648 -1.420 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.318 -10.659 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.682 -11.076 -0.235 1.00 0.00 H new ATOM 0 HG SER A 39 -11.002 -11.721 1.970 1.00 0.00 H new ATOM 557 N VAL A 40 -6.564 -11.847 -0.479 1.00 0.00 N ATOM 558 CA VAL A 40 -5.359 -11.091 -0.792 1.00 0.00 C ATOM 559 C VAL A 40 -5.263 -10.778 -2.286 1.00 0.00 C ATOM 560 O VAL A 40 -4.614 -9.813 -2.673 1.00 0.00 O ATOM 561 CB VAL A 40 -4.081 -11.828 -0.308 1.00 0.00 C ATOM 562 CG1 VAL A 40 -4.165 -13.310 -0.620 1.00 0.00 C ATOM 563 CG2 VAL A 40 -2.814 -11.224 -0.906 1.00 0.00 C ATOM 0 H VAL A 40 -6.411 -12.658 0.121 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.429 -10.146 -0.253 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.024 -11.701 0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.259 -13.807 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.031 -13.739 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.265 -13.450 -1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.944 -11.769 -0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.856 -11.293 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.736 -10.177 -0.612 1.00 0.00 H new ATOM 567 N SER A 41 -5.879 -11.604 -3.127 1.00 0.00 N ATOM 568 CA SER A 41 -5.858 -11.350 -4.563 1.00 0.00 C ATOM 569 C SER A 41 -6.627 -10.069 -4.868 1.00 0.00 C ATOM 570 O SER A 41 -6.084 -9.115 -5.437 1.00 0.00 O ATOM 571 CB SER A 41 -6.471 -12.526 -5.327 1.00 0.00 C ATOM 572 OG SER A 41 -7.885 -12.428 -5.366 1.00 0.00 O ATOM 0 H SER A 41 -6.390 -12.441 -2.845 1.00 0.00 H new ATOM 0 HA SER A 41 -4.823 -11.235 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.077 -12.549 -6.343 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.181 -13.463 -4.852 1.00 0.00 H new ATOM 0 HG SER A 41 -8.252 -13.190 -5.861 1.00 0.00 H new ATOM 578 N ASP A 42 -7.865 -10.018 -4.393 1.00 0.00 N ATOM 579 CA ASP A 42 -8.687 -8.830 -4.540 1.00 0.00 C ATOM 580 C ASP A 42 -8.007 -7.665 -3.847 1.00 0.00 C ATOM 581 O ASP A 42 -7.976 -6.534 -4.350 1.00 0.00 O ATOM 582 CB ASP A 42 -10.067 -9.069 -3.929 1.00 0.00 C ATOM 583 CG ASP A 42 -11.193 -8.714 -4.879 1.00 0.00 C ATOM 584 OD1 ASP A 42 -10.963 -7.889 -5.790 1.00 0.00 O ATOM 585 OD2 ASP A 42 -12.304 -9.258 -4.713 1.00 0.00 O ATOM 0 H ASP A 42 -8.320 -10.788 -3.902 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.810 -8.602 -5.599 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.156 -10.116 -3.640 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.165 -8.478 -3.018 1.00 0.00 H new ATOM 590 N LEU A 43 -7.427 -7.966 -2.696 1.00 0.00 N ATOM 591 CA LEU A 43 -6.714 -6.976 -1.928 1.00 0.00 C ATOM 592 C LEU A 43 -5.504 -6.478 -2.697 1.00 0.00 C ATOM 593 O LEU A 43 -5.257 -5.275 -2.773 1.00 0.00 O ATOM 594 CB LEU A 43 -6.267 -7.575 -0.597 1.00 0.00 C ATOM 595 CG LEU A 43 -5.997 -6.577 0.537 1.00 0.00 C ATOM 596 CD1 LEU A 43 -4.919 -7.125 1.450 1.00 0.00 C ATOM 597 CD2 LEU A 43 -5.592 -5.212 0.001 1.00 0.00 C ATOM 0 H LEU A 43 -7.440 -8.896 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.381 -6.135 -1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.032 -8.276 -0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.359 -8.153 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.921 -6.445 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.728 -6.415 2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.249 -8.074 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.004 -7.281 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.410 -4.533 0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.683 -5.309 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.392 -4.814 -0.623 1.00 0.00 H new ATOM 603 N LYS A 44 -4.758 -7.406 -3.291 1.00 0.00 N ATOM 604 CA LYS A 44 -3.561 -7.043 -4.032 1.00 0.00 C ATOM 605 C LYS A 44 -3.870 -5.960 -5.040 1.00 0.00 C ATOM 606 O LYS A 44 -3.051 -5.086 -5.272 1.00 0.00 O ATOM 607 CB LYS A 44 -2.929 -8.245 -4.727 1.00 0.00 C ATOM 608 CG LYS A 44 -1.421 -8.306 -4.538 1.00 0.00 C ATOM 609 CD LYS A 44 -1.061 -9.111 -3.308 1.00 0.00 C ATOM 610 CE LYS A 44 -1.207 -10.603 -3.563 1.00 0.00 C ATOM 611 NZ LYS A 44 -0.358 -11.059 -4.698 1.00 0.00 N ATOM 0 H LYS A 44 -4.962 -8.405 -3.272 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.838 -6.665 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.377 -9.160 -4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.156 -8.205 -5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.958 -8.753 -5.418 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.021 -7.296 -4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.036 -8.889 -3.012 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.703 -8.817 -2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.935 -11.153 -2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.251 -10.834 -3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.965 -11.391 -5.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.230 -10.268 -5.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.256 -11.837 -4.382 1.00 0.00 H new ATOM 625 N LYS A 45 -5.064 -5.994 -5.613 1.00 0.00 N ATOM 626 CA LYS A 45 -5.463 -4.929 -6.519 1.00 0.00 C ATOM 627 C LYS A 45 -5.531 -3.624 -5.734 1.00 0.00 C ATOM 628 O LYS A 45 -4.881 -2.638 -6.081 1.00 0.00 O ATOM 629 CB LYS A 45 -6.815 -5.235 -7.176 1.00 0.00 C ATOM 630 CG LYS A 45 -7.500 -4.021 -7.801 1.00 0.00 C ATOM 631 CD LYS A 45 -6.528 -3.146 -8.586 1.00 0.00 C ATOM 632 CE LYS A 45 -7.263 -2.259 -9.575 1.00 0.00 C ATOM 633 NZ LYS A 45 -6.408 -1.897 -10.740 1.00 0.00 N ATOM 0 H LYS A 45 -5.758 -6.728 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.728 -4.843 -7.319 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.668 -5.991 -7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.480 -5.667 -6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.298 -4.358 -8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.967 -3.427 -7.016 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.953 -2.528 -7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.816 -3.776 -9.118 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.158 -2.772 -9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.594 -1.351 -9.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.947 -1.291 -11.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.566 -1.385 -10.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.113 -2.762 -11.236 1.00 0.00 H new ATOM 647 N TYR A 46 -6.280 -3.645 -4.636 1.00 0.00 N ATOM 648 CA TYR A 46 -6.407 -2.466 -3.789 1.00 0.00 C ATOM 649 C TYR A 46 -5.029 -2.019 -3.298 1.00 0.00 C ATOM 650 O TYR A 46 -4.664 -0.850 -3.421 1.00 0.00 O ATOM 651 CB TYR A 46 -7.357 -2.765 -2.611 1.00 0.00 C ATOM 652 CG TYR A 46 -7.148 -1.911 -1.369 1.00 0.00 C ATOM 653 CD1 TYR A 46 -6.726 -0.588 -1.458 1.00 0.00 C ATOM 654 CD2 TYR A 46 -7.389 -2.435 -0.106 1.00 0.00 C ATOM 655 CE1 TYR A 46 -6.529 0.176 -0.323 1.00 0.00 C ATOM 656 CE2 TYR A 46 -7.204 -1.675 1.032 1.00 0.00 C ATOM 657 CZ TYR A 46 -6.773 -0.370 0.919 1.00 0.00 C ATOM 658 OH TYR A 46 -6.589 0.390 2.051 1.00 0.00 O ATOM 0 H TYR A 46 -6.804 -4.459 -4.314 1.00 0.00 H new ATOM 0 HA TYR A 46 -6.835 -1.648 -4.368 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.384 -2.634 -2.952 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.245 -3.813 -2.333 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -6.550 -0.151 -2.430 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.728 -3.456 -0.012 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.185 1.196 -0.409 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.396 -2.101 2.006 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.293 1.289 1.797 1.00 0.00 H new ATOM 668 N ILE A 47 -4.272 -2.957 -2.746 1.00 0.00 N ATOM 669 CA ILE A 47 -2.941 -2.657 -2.237 1.00 0.00 C ATOM 670 C ILE A 47 -1.996 -2.278 -3.385 1.00 0.00 C ATOM 671 O ILE A 47 -1.089 -1.464 -3.210 1.00 0.00 O ATOM 672 CB ILE A 47 -2.385 -3.827 -1.392 1.00 0.00 C ATOM 673 CG1 ILE A 47 -1.482 -3.288 -0.283 1.00 0.00 C ATOM 674 CG2 ILE A 47 -1.658 -4.861 -2.242 1.00 0.00 C ATOM 675 CD1 ILE A 47 -2.243 -2.817 0.938 1.00 0.00 C ATOM 0 H ILE A 47 -4.556 -3.931 -2.639 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.015 -1.796 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.232 -4.342 -0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.780 -4.067 0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.892 -2.460 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.287 -5.662 -1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.346 -5.275 -2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.820 -4.387 -2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.540 -2.448 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.926 -2.016 0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.812 -3.648 1.355 1.00 0.00 H new ATOM 679 N ALA A 48 -2.227 -2.864 -4.559 1.00 0.00 N ATOM 680 CA ALA A 48 -1.419 -2.556 -5.736 1.00 0.00 C ATOM 681 C ALA A 48 -1.585 -1.091 -6.110 1.00 0.00 C ATOM 682 O ALA A 48 -0.627 -0.419 -6.491 1.00 0.00 O ATOM 683 CB ALA A 48 -1.798 -3.441 -6.913 1.00 0.00 C ATOM 0 H ALA A 48 -2.963 -3.551 -4.719 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.375 -2.751 -5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.179 -3.187 -7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.640 -4.486 -6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.847 -3.285 -7.163 1.00 0.00 H new ATOM 689 N GLU A 49 -2.815 -0.601 -6.014 1.00 0.00 N ATOM 690 CA GLU A 49 -3.073 0.808 -6.251 1.00 0.00 C ATOM 691 C GLU A 49 -2.277 1.610 -5.229 1.00 0.00 C ATOM 692 O GLU A 49 -1.714 2.669 -5.513 1.00 0.00 O ATOM 693 CB GLU A 49 -4.566 1.116 -6.122 1.00 0.00 C ATOM 694 CG GLU A 49 -4.923 2.543 -6.495 1.00 0.00 C ATOM 695 CD GLU A 49 -6.393 2.850 -6.286 1.00 0.00 C ATOM 696 OE1 GLU A 49 -7.235 2.187 -6.927 1.00 0.00 O ATOM 697 OE2 GLU A 49 -6.702 3.753 -5.480 1.00 0.00 O ATOM 0 H GLU A 49 -3.639 -1.153 -5.776 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.769 1.076 -7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.127 0.431 -6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.881 0.927 -5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.324 3.231 -5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.664 2.717 -7.539 1.00 0.00 H new ATOM 704 N LEU A 50 -2.185 1.032 -4.045 1.00 0.00 N ATOM 705 CA LEU A 50 -1.445 1.616 -2.947 1.00 0.00 C ATOM 706 C LEU A 50 0.043 1.718 -3.260 1.00 0.00 C ATOM 707 O LEU A 50 0.609 2.811 -3.272 1.00 0.00 O ATOM 708 CB LEU A 50 -1.645 0.749 -1.714 1.00 0.00 C ATOM 709 CG LEU A 50 -1.692 1.512 -0.412 1.00 0.00 C ATOM 710 CD1 LEU A 50 -0.485 2.419 -0.302 1.00 0.00 C ATOM 711 CD2 LEU A 50 -2.981 2.299 -0.324 1.00 0.00 C ATOM 0 H LEU A 50 -2.625 0.140 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.817 2.626 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.574 0.189 -1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.837 0.019 -1.664 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.665 0.811 0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.526 2.966 0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.425 1.820 -0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.484 3.125 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.009 2.847 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.035 3.002 -1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.829 1.615 -0.371 1.00 0.00 H new ATOM 717 N GLU A 51 0.676 0.575 -3.504 1.00 0.00 N ATOM 718 CA GLU A 51 2.107 0.550 -3.776 1.00 0.00 C ATOM 719 C GLU A 51 2.484 1.570 -4.847 1.00 0.00 C ATOM 720 O GLU A 51 3.524 2.221 -4.751 1.00 0.00 O ATOM 721 CB GLU A 51 2.567 -0.849 -4.192 1.00 0.00 C ATOM 722 CG GLU A 51 1.694 -1.489 -5.250 1.00 0.00 C ATOM 723 CD GLU A 51 2.012 -0.998 -6.648 1.00 0.00 C ATOM 724 OE1 GLU A 51 2.972 -0.214 -6.798 1.00 0.00 O ATOM 725 OE2 GLU A 51 1.302 -1.400 -7.594 1.00 0.00 O ATOM 0 H GLU A 51 0.224 -0.339 -3.519 1.00 0.00 H new ATOM 0 HA GLU A 51 2.618 0.819 -2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.589 -0.789 -4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.586 -1.492 -3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.819 -2.571 -5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.648 -1.281 -5.026 1.00 0.00 H new ATOM 732 N VAL A 52 1.635 1.721 -5.862 1.00 0.00 N ATOM 733 CA VAL A 52 1.900 2.700 -6.910 1.00 0.00 C ATOM 734 C VAL A 52 1.866 4.099 -6.339 1.00 0.00 C ATOM 735 O VAL A 52 2.594 4.988 -6.780 1.00 0.00 O ATOM 736 CB VAL A 52 0.933 2.570 -8.109 1.00 0.00 C ATOM 737 CG1 VAL A 52 -0.460 3.088 -7.785 1.00 0.00 C ATOM 738 CG2 VAL A 52 1.502 3.284 -9.326 1.00 0.00 C ATOM 0 H VAL A 52 0.773 1.188 -5.979 1.00 0.00 H new ATOM 0 HA VAL A 52 2.899 2.495 -7.296 1.00 0.00 H new ATOM 0 HB VAL A 52 0.833 1.508 -8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.102 2.975 -8.658 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.875 2.519 -6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.402 4.141 -7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.811 3.184 -10.163 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.643 4.340 -9.096 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.461 2.840 -9.593 1.00 0.00 H new ATOM 742 N GLN A 53 1.085 4.253 -5.293 1.00 0.00 N ATOM 743 CA GLN A 53 0.999 5.523 -4.595 1.00 0.00 C ATOM 744 C GLN A 53 2.297 5.776 -3.810 1.00 0.00 C ATOM 745 O GLN A 53 3.333 6.045 -4.417 1.00 0.00 O ATOM 746 CB GLN A 53 -0.245 5.549 -3.700 1.00 0.00 C ATOM 747 CG GLN A 53 -1.527 5.210 -4.443 1.00 0.00 C ATOM 748 CD GLN A 53 -2.436 6.411 -4.619 1.00 0.00 C ATOM 749 OE1 GLN A 53 -3.185 6.775 -3.713 1.00 0.00 O ATOM 750 NE2 GLN A 53 -2.373 7.034 -5.790 1.00 0.00 N ATOM 0 H GLN A 53 0.498 3.515 -4.904 1.00 0.00 H new ATOM 0 HA GLN A 53 0.892 6.335 -5.314 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.110 4.842 -2.881 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.343 6.539 -3.254 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.277 4.802 -5.422 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.062 4.431 -3.900 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.737 6.698 -6.513 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.960 7.849 -5.966 1.00 0.00 H new