USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 644 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 25 GLN : amide:sc= -0.205 K(o=-0.071,f=-7.3!) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -114:sc= 0.133 (180deg=0) USER MOD Single : A 1 MET CE :methyl 146:sc= -0.884 (180deg=-2.7!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 1.1 (180deg=1.1) USER MOD Single : A 3 MET CE :methyl -155:sc= -0.481 (180deg=-1.46) USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.08) USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0542) USER MOD Single : A 22 MET CE :methyl 164:sc= -1.89 (180deg=-2.15) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.403 K(o=-0.4,f=-6.7!) USER MOD Single : A 47 THR OG1 : rot -95:sc= 0.61 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 163:sc= -2.65! (180deg=-3.87!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0977 USER MOD Single : A 74 TYR OH : rot -160:sc= 0.534 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.808 14.512 4.335 1.00 52.44 N ATOM 2 CA MET A 1 -3.668 13.387 4.797 1.00 31.20 C ATOM 3 C MET A 1 -2.851 12.086 4.892 1.00 12.13 C ATOM 4 O MET A 1 -1.735 12.009 4.373 1.00 72.41 O ATOM 5 CB MET A 1 -4.858 13.227 3.831 1.00 2.04 C ATOM 6 CG MET A 1 -5.890 12.193 4.261 1.00 74.53 C ATOM 7 SD MET A 1 -7.369 12.219 3.227 1.00 44.31 S ATOM 8 CE MET A 1 -6.670 11.943 1.599 1.00 33.13 C ATOM 0 H1 MET A 1 -3.376 15.382 4.277 1.00 52.44 H new ATOM 0 H2 MET A 1 -2.028 14.652 5.009 1.00 52.44 H new ATOM 0 H3 MET A 1 -2.419 14.289 3.397 1.00 52.44 H new ATOM 0 HA MET A 1 -4.051 13.608 5.794 1.00 31.20 H new ATOM 0 HB2 MET A 1 -5.353 14.192 3.723 1.00 2.04 H new ATOM 0 HB3 MET A 1 -4.476 12.953 2.848 1.00 2.04 H new ATOM 0 HG2 MET A 1 -5.442 11.200 4.223 1.00 74.53 H new ATOM 0 HG3 MET A 1 -6.172 12.376 5.298 1.00 74.53 H new ATOM 0 HE1 MET A 1 -7.367 11.359 0.998 1.00 33.13 H new ATOM 0 HE2 MET A 1 -6.488 12.902 1.114 1.00 33.13 H new ATOM 0 HE3 MET A 1 -5.730 11.400 1.694 1.00 33.13 H new ATOM 20 N GLU A 2 -3.397 11.073 5.574 1.00 0.41 N ATOM 21 CA GLU A 2 -2.706 9.783 5.742 1.00 44.01 C ATOM 22 C GLU A 2 -3.570 8.616 5.242 1.00 15.53 C ATOM 23 O GLU A 2 -4.781 8.758 5.053 1.00 13.22 O ATOM 24 CB GLU A 2 -2.341 9.564 7.215 1.00 52.05 C ATOM 25 CG GLU A 2 -1.519 10.697 7.823 1.00 24.22 C ATOM 26 CD GLU A 2 -1.127 10.432 9.266 1.00 51.35 C ATOM 27 OE1 GLU A 2 -2.030 10.300 10.122 1.00 0.30 O ATOM 28 OE2 GLU A 2 0.085 10.352 9.557 1.00 24.13 O ATOM 0 H GLU A 2 -4.314 11.118 6.019 1.00 0.41 H new ATOM 0 HA GLU A 2 -1.795 9.814 5.144 1.00 44.01 H new ATOM 0 HB2 GLU A 2 -3.258 9.443 7.792 1.00 52.05 H new ATOM 0 HB3 GLU A 2 -1.782 8.633 7.306 1.00 52.05 H new ATOM 0 HG2 GLU A 2 -0.618 10.845 7.228 1.00 24.22 H new ATOM 0 HG3 GLU A 2 -2.091 11.623 7.771 1.00 24.22 H new ATOM 35 N MET A 3 -2.946 7.457 5.036 1.00 14.50 N ATOM 36 CA MET A 3 -3.649 6.289 4.491 1.00 24.25 C ATOM 37 C MET A 3 -3.069 4.969 5.030 1.00 61.15 C ATOM 38 O MET A 3 -1.894 4.660 4.813 1.00 1.31 O ATOM 39 CB MET A 3 -3.570 6.316 2.959 1.00 50.30 C ATOM 40 CG MET A 3 -4.333 5.195 2.265 1.00 45.34 C ATOM 41 SD MET A 3 -4.327 5.372 0.470 1.00 31.31 S ATOM 42 CE MET A 3 -5.330 3.977 -0.026 1.00 44.43 C ATOM 0 H MET A 3 -1.959 7.299 5.236 1.00 14.50 H new ATOM 0 HA MET A 3 -4.690 6.340 4.809 1.00 24.25 H new ATOM 0 HB2 MET A 3 -3.954 7.273 2.605 1.00 50.30 H new ATOM 0 HB3 MET A 3 -2.523 6.264 2.661 1.00 50.30 H new ATOM 0 HG2 MET A 3 -3.890 4.236 2.535 1.00 45.34 H new ATOM 0 HG3 MET A 3 -5.362 5.183 2.623 1.00 45.34 H new ATOM 0 HE1 MET A 3 -5.070 3.685 -1.043 1.00 44.43 H new ATOM 0 HE2 MET A 3 -5.149 3.141 0.649 1.00 44.43 H new ATOM 0 HE3 MET A 3 -6.383 4.254 0.014 1.00 44.43 H new ATOM 52 N ASP A 4 -3.899 4.196 5.726 1.00 65.31 N ATOM 53 CA ASP A 4 -3.489 2.894 6.260 1.00 52.53 C ATOM 54 C ASP A 4 -3.867 1.749 5.305 1.00 34.52 C ATOM 55 O ASP A 4 -5.031 1.370 5.208 1.00 31.12 O ATOM 56 CB ASP A 4 -4.135 2.665 7.629 1.00 21.22 C ATOM 57 CG ASP A 4 -3.746 3.734 8.632 1.00 21.35 C ATOM 58 OD1 ASP A 4 -2.572 3.756 9.049 1.00 23.22 O ATOM 59 OD2 ASP A 4 -4.615 4.552 9.008 1.00 43.41 O ATOM 0 H ASP A 4 -4.865 4.448 5.936 1.00 65.31 H new ATOM 0 HA ASP A 4 -2.404 2.901 6.364 1.00 52.53 H new ATOM 0 HB2 ASP A 4 -5.219 2.650 7.519 1.00 21.22 H new ATOM 0 HB3 ASP A 4 -3.839 1.687 8.009 1.00 21.22 H new ATOM 64 N ILE A 5 -2.880 1.207 4.600 1.00 60.11 N ATOM 65 CA ILE A 5 -3.100 0.093 3.668 1.00 12.15 C ATOM 66 C ILE A 5 -2.579 -1.222 4.268 1.00 3.33 C ATOM 67 O ILE A 5 -1.603 -1.225 5.010 1.00 31.31 O ATOM 68 CB ILE A 5 -2.387 0.356 2.311 1.00 32.04 C ATOM 69 CG1 ILE A 5 -2.805 1.724 1.745 1.00 73.42 C ATOM 70 CG2 ILE A 5 -2.694 -0.759 1.310 1.00 32.14 C ATOM 71 CD1 ILE A 5 -2.110 2.101 0.451 1.00 73.30 C ATOM 0 H ILE A 5 -1.911 1.520 4.653 1.00 60.11 H new ATOM 0 HA ILE A 5 -4.173 0.012 3.495 1.00 12.15 H new ATOM 0 HB ILE A 5 -1.311 0.366 2.484 1.00 32.04 H new ATOM 0 HG12 ILE A 5 -3.882 1.722 1.578 1.00 73.42 H new ATOM 0 HG13 ILE A 5 -2.600 2.491 2.491 1.00 73.42 H new ATOM 0 HG21 ILE A 5 -2.185 -0.553 0.369 1.00 32.14 H new ATOM 0 HG22 ILE A 5 -2.347 -1.712 1.709 1.00 32.14 H new ATOM 0 HG23 ILE A 5 -3.769 -0.807 1.138 1.00 32.14 H new ATOM 0 HD11 ILE A 5 -2.461 3.078 0.121 1.00 73.30 H new ATOM 0 HD12 ILE A 5 -1.033 2.139 0.614 1.00 73.30 H new ATOM 0 HD13 ILE A 5 -2.335 1.357 -0.313 1.00 73.30 H new ATOM 83 N ARG A 6 -3.237 -2.342 3.967 1.00 15.05 N ATOM 84 CA ARG A 6 -2.752 -3.646 4.428 1.00 10.21 C ATOM 85 C ARG A 6 -3.004 -4.753 3.387 1.00 11.31 C ATOM 86 O ARG A 6 -4.143 -5.039 3.014 1.00 52.31 O ATOM 87 CB ARG A 6 -3.380 -4.014 5.788 1.00 43.03 C ATOM 88 CG ARG A 6 -4.857 -4.392 5.736 1.00 31.05 C ATOM 89 CD ARG A 6 -5.426 -4.662 7.129 1.00 75.24 C ATOM 90 NE ARG A 6 -4.542 -5.500 7.945 1.00 22.21 N ATOM 91 CZ ARG A 6 -4.565 -6.809 7.972 1.00 34.44 C ATOM 92 NH1 ARG A 6 -5.399 -7.477 7.235 1.00 25.11 N ATOM 93 NH2 ARG A 6 -3.752 -7.449 8.748 1.00 53.02 N ATOM 0 H ARG A 6 -4.094 -2.375 3.415 1.00 15.05 H new ATOM 0 HA ARG A 6 -1.673 -3.565 4.558 1.00 10.21 H new ATOM 0 HB2 ARG A 6 -2.822 -4.847 6.215 1.00 43.03 H new ATOM 0 HB3 ARG A 6 -3.260 -3.169 6.467 1.00 43.03 H new ATOM 0 HG2 ARG A 6 -5.421 -3.588 5.263 1.00 31.05 H new ATOM 0 HG3 ARG A 6 -4.983 -5.278 5.114 1.00 31.05 H new ATOM 0 HD2 ARG A 6 -5.594 -3.714 7.639 1.00 75.24 H new ATOM 0 HD3 ARG A 6 -6.396 -5.149 7.033 1.00 75.24 H new ATOM 0 HE ARG A 6 -3.858 -5.028 8.536 1.00 22.21 H new ATOM 0 HH11 ARG A 6 -6.049 -6.982 6.624 1.00 25.11 H new ATOM 0 HH12 ARG A 6 -5.405 -8.496 7.267 1.00 25.11 H new ATOM 0 HH21 ARG A 6 -3.096 -6.934 9.336 1.00 53.02 H new ATOM 0 HH22 ARG A 6 -3.766 -8.469 8.772 1.00 53.02 H new ATOM 107 N PHE A 7 -1.918 -5.353 2.906 1.00 42.53 N ATOM 108 CA PHE A 7 -1.990 -6.501 1.997 1.00 64.32 C ATOM 109 C PHE A 7 -2.000 -7.814 2.795 1.00 23.31 C ATOM 110 O PHE A 7 -1.423 -7.895 3.879 1.00 43.21 O ATOM 111 CB PHE A 7 -0.795 -6.495 1.030 1.00 1.44 C ATOM 112 CG PHE A 7 -0.784 -5.343 0.051 1.00 24.51 C ATOM 113 CD1 PHE A 7 -0.379 -4.075 0.447 1.00 33.40 C ATOM 114 CD2 PHE A 7 -1.175 -5.531 -1.270 1.00 52.04 C ATOM 115 CE1 PHE A 7 -0.364 -3.023 -0.452 1.00 34.33 C ATOM 116 CE2 PHE A 7 -1.159 -4.481 -2.170 1.00 4.14 C ATOM 117 CZ PHE A 7 -0.754 -3.227 -1.760 1.00 64.32 C ATOM 0 H PHE A 7 -0.967 -5.062 3.132 1.00 42.53 H new ATOM 0 HA PHE A 7 -2.913 -6.425 1.422 1.00 64.32 H new ATOM 0 HB2 PHE A 7 0.126 -6.469 1.612 1.00 1.44 H new ATOM 0 HB3 PHE A 7 -0.792 -7.430 0.470 1.00 1.44 H new ATOM 0 HD1 PHE A 7 -0.072 -3.908 1.469 1.00 33.40 H new ATOM 0 HD2 PHE A 7 -1.495 -6.509 -1.597 1.00 52.04 H new ATOM 0 HE1 PHE A 7 -0.047 -2.042 -0.130 1.00 34.33 H new ATOM 0 HE2 PHE A 7 -1.463 -4.642 -3.194 1.00 4.14 H new ATOM 0 HZ PHE A 7 -0.742 -2.406 -2.462 1.00 64.32 H new ATOM 127 N ARG A 8 -2.647 -8.840 2.259 1.00 1.12 N ATOM 128 CA ARG A 8 -2.741 -10.133 2.942 1.00 30.11 C ATOM 129 C ARG A 8 -2.627 -11.286 1.928 1.00 72.33 C ATOM 130 O ARG A 8 -3.441 -11.398 1.007 1.00 20.13 O ATOM 131 CB ARG A 8 -4.073 -10.205 3.715 1.00 50.00 C ATOM 132 CG ARG A 8 -4.083 -11.181 4.892 1.00 65.33 C ATOM 133 CD ARG A 8 -4.066 -12.638 4.450 1.00 53.04 C ATOM 134 NE ARG A 8 -4.083 -13.549 5.591 1.00 50.33 N ATOM 135 CZ ARG A 8 -4.587 -14.750 5.563 1.00 71.04 C ATOM 136 NH1 ARG A 8 -5.106 -15.219 4.476 1.00 63.15 N ATOM 137 NH2 ARG A 8 -4.559 -15.486 6.626 1.00 22.45 N ATOM 0 H ARG A 8 -3.116 -8.807 1.354 1.00 1.12 H new ATOM 0 HA ARG A 8 -1.917 -10.232 3.649 1.00 30.11 H new ATOM 0 HB2 ARG A 8 -4.315 -9.209 4.086 1.00 50.00 H new ATOM 0 HB3 ARG A 8 -4.864 -10.488 3.021 1.00 50.00 H new ATOM 0 HG2 ARG A 8 -3.217 -10.988 5.526 1.00 65.33 H new ATOM 0 HG3 ARG A 8 -4.969 -11.001 5.500 1.00 65.33 H new ATOM 0 HD2 ARG A 8 -4.929 -12.835 3.814 1.00 53.04 H new ATOM 0 HD3 ARG A 8 -3.177 -12.825 3.848 1.00 53.04 H new ATOM 0 HE ARG A 8 -3.674 -13.224 6.467 1.00 50.33 H new ATOM 0 HH11 ARG A 8 -5.123 -14.648 3.631 1.00 63.15 H new ATOM 0 HH12 ARG A 8 -5.498 -16.160 4.463 1.00 63.15 H new ATOM 0 HH21 ARG A 8 -4.143 -15.126 7.485 1.00 22.45 H new ATOM 0 HH22 ARG A 8 -4.953 -16.427 6.606 1.00 22.45 H new ATOM 151 N GLY A 9 -1.620 -12.140 2.108 1.00 53.13 N ATOM 152 CA GLY A 9 -1.391 -13.241 1.178 1.00 33.40 C ATOM 153 C GLY A 9 -0.112 -14.019 1.473 1.00 52.51 C ATOM 154 O GLY A 9 0.466 -13.890 2.553 1.00 4.42 O ATOM 0 H GLY A 9 -0.957 -12.091 2.881 1.00 53.13 H new ATOM 0 HA2 GLY A 9 -2.241 -13.923 1.216 1.00 33.40 H new ATOM 0 HA3 GLY A 9 -1.343 -12.847 0.163 1.00 33.40 H new ATOM 158 N ASP A 10 0.336 -14.827 0.510 1.00 45.43 N ATOM 159 CA ASP A 10 1.512 -15.692 0.703 1.00 12.30 C ATOM 160 C ASP A 10 2.652 -15.352 -0.276 1.00 73.12 C ATOM 161 O ASP A 10 3.824 -15.635 -0.009 1.00 0.21 O ATOM 162 CB ASP A 10 1.100 -17.152 0.507 1.00 24.40 C ATOM 163 CG ASP A 10 -0.151 -17.507 1.288 1.00 65.32 C ATOM 164 OD1 ASP A 10 -1.263 -17.328 0.749 1.00 73.15 O ATOM 165 OD2 ASP A 10 -0.030 -17.963 2.444 1.00 55.15 O ATOM 0 H ASP A 10 -0.094 -14.904 -0.412 1.00 45.43 H new ATOM 0 HA ASP A 10 1.883 -15.526 1.715 1.00 12.30 H new ATOM 0 HB2 ASP A 10 0.929 -17.340 -0.553 1.00 24.40 H new ATOM 0 HB3 ASP A 10 1.917 -17.803 0.819 1.00 24.40 H new ATOM 170 N ASP A 11 2.296 -14.759 -1.410 1.00 33.21 N ATOM 171 CA ASP A 11 3.241 -14.491 -2.501 1.00 21.11 C ATOM 172 C ASP A 11 4.389 -13.562 -2.071 1.00 42.30 C ATOM 173 O ASP A 11 4.166 -12.410 -1.702 1.00 60.20 O ATOM 174 CB ASP A 11 2.483 -13.885 -3.685 1.00 42.31 C ATOM 175 CG ASP A 11 1.327 -14.767 -4.117 1.00 71.34 C ATOM 176 OD1 ASP A 11 0.399 -14.970 -3.305 1.00 63.25 O ATOM 177 OD2 ASP A 11 1.341 -15.271 -5.259 1.00 32.22 O ATOM 0 H ASP A 11 1.344 -14.448 -1.604 1.00 33.21 H new ATOM 0 HA ASP A 11 3.696 -15.438 -2.790 1.00 21.11 H new ATOM 0 HB2 ASP A 11 2.107 -12.899 -3.411 1.00 42.31 H new ATOM 0 HB3 ASP A 11 3.167 -13.744 -4.522 1.00 42.31 H new ATOM 182 N LEU A 12 5.618 -14.077 -2.142 1.00 32.42 N ATOM 183 CA LEU A 12 6.815 -13.327 -1.729 1.00 43.32 C ATOM 184 C LEU A 12 7.093 -12.138 -2.664 1.00 4.20 C ATOM 185 O LEU A 12 7.404 -11.035 -2.210 1.00 71.52 O ATOM 186 CB LEU A 12 8.035 -14.263 -1.700 1.00 23.21 C ATOM 187 CG LEU A 12 9.355 -13.619 -1.244 1.00 14.42 C ATOM 188 CD1 LEU A 12 9.243 -13.089 0.185 1.00 70.25 C ATOM 189 CD2 LEU A 12 10.507 -14.614 -1.366 1.00 20.23 C ATOM 0 H LEU A 12 5.815 -15.018 -2.484 1.00 32.42 H new ATOM 0 HA LEU A 12 6.631 -12.931 -0.730 1.00 43.32 H new ATOM 0 HB2 LEU A 12 7.812 -15.100 -1.039 1.00 23.21 H new ATOM 0 HB3 LEU A 12 8.178 -14.675 -2.699 1.00 23.21 H new ATOM 0 HG LEU A 12 9.562 -12.772 -1.898 1.00 14.42 H new ATOM 0 HD11 LEU A 12 10.190 -12.639 0.481 1.00 70.25 H new ATOM 0 HD12 LEU A 12 8.454 -12.339 0.234 1.00 70.25 H new ATOM 0 HD13 LEU A 12 9.005 -13.911 0.860 1.00 70.25 H new ATOM 0 HD21 LEU A 12 11.433 -14.141 -1.039 1.00 20.23 H new ATOM 0 HD22 LEU A 12 10.304 -15.484 -0.742 1.00 20.23 H new ATOM 0 HD23 LEU A 12 10.608 -14.929 -2.405 1.00 20.23 H new ATOM 201 N GLU A 13 6.972 -12.371 -3.972 1.00 22.30 N ATOM 202 CA GLU A 13 7.219 -11.331 -4.983 1.00 30.11 C ATOM 203 C GLU A 13 6.385 -10.065 -4.723 1.00 62.20 C ATOM 204 O GLU A 13 6.811 -8.955 -5.047 1.00 60.34 O ATOM 205 CB GLU A 13 6.924 -11.860 -6.401 1.00 53.24 C ATOM 206 CG GLU A 13 7.857 -12.978 -6.873 1.00 54.44 C ATOM 207 CD GLU A 13 7.689 -14.276 -6.092 1.00 23.51 C ATOM 208 OE1 GLU A 13 6.696 -14.997 -6.331 1.00 62.42 O ATOM 209 OE2 GLU A 13 8.540 -14.570 -5.229 1.00 51.55 O ATOM 0 H GLU A 13 6.703 -13.275 -4.362 1.00 22.30 H new ATOM 0 HA GLU A 13 8.274 -11.066 -4.909 1.00 30.11 H new ATOM 0 HB2 GLU A 13 5.897 -12.225 -6.432 1.00 53.24 H new ATOM 0 HB3 GLU A 13 6.989 -11.030 -7.105 1.00 53.24 H new ATOM 0 HG2 GLU A 13 7.674 -13.172 -7.930 1.00 54.44 H new ATOM 0 HG3 GLU A 13 8.890 -12.641 -6.785 1.00 54.44 H new ATOM 216 N ALA A 14 5.200 -10.243 -4.132 1.00 14.12 N ATOM 217 CA ALA A 14 4.306 -9.121 -3.814 1.00 32.30 C ATOM 218 C ALA A 14 5.010 -8.059 -2.954 1.00 60.14 C ATOM 219 O ALA A 14 4.837 -6.859 -3.170 1.00 15.25 O ATOM 220 CB ALA A 14 3.053 -9.632 -3.111 1.00 61.10 C ATOM 0 H ALA A 14 4.835 -11.156 -3.862 1.00 14.12 H new ATOM 0 HA ALA A 14 4.021 -8.645 -4.752 1.00 32.30 H new ATOM 0 HB1 ALA A 14 2.397 -8.792 -2.880 1.00 61.10 H new ATOM 0 HB2 ALA A 14 2.530 -10.332 -3.763 1.00 61.10 H new ATOM 0 HB3 ALA A 14 3.335 -10.137 -2.187 1.00 61.10 H new ATOM 226 N PHE A 15 5.812 -8.515 -1.991 1.00 42.34 N ATOM 227 CA PHE A 15 6.570 -7.620 -1.111 1.00 14.45 C ATOM 228 C PHE A 15 7.412 -6.618 -1.919 1.00 45.42 C ATOM 229 O PHE A 15 7.262 -5.406 -1.770 1.00 20.31 O ATOM 230 CB PHE A 15 7.472 -8.447 -0.177 1.00 10.34 C ATOM 231 CG PHE A 15 8.268 -7.627 0.810 1.00 71.42 C ATOM 232 CD1 PHE A 15 7.683 -7.166 1.983 1.00 3.22 C ATOM 233 CD2 PHE A 15 9.602 -7.319 0.569 1.00 44.12 C ATOM 234 CE1 PHE A 15 8.411 -6.418 2.890 1.00 62.31 C ATOM 235 CE2 PHE A 15 10.331 -6.571 1.474 1.00 31.41 C ATOM 236 CZ PHE A 15 9.735 -6.119 2.634 1.00 60.44 C ATOM 0 H PHE A 15 5.955 -9.506 -1.799 1.00 42.34 H new ATOM 0 HA PHE A 15 5.860 -7.048 -0.513 1.00 14.45 H new ATOM 0 HB2 PHE A 15 6.852 -9.155 0.374 1.00 10.34 H new ATOM 0 HB3 PHE A 15 8.162 -9.033 -0.784 1.00 10.34 H new ATOM 0 HD1 PHE A 15 6.648 -7.395 2.189 1.00 3.22 H new ATOM 0 HD2 PHE A 15 10.075 -7.669 -0.337 1.00 44.12 H new ATOM 0 HE1 PHE A 15 7.944 -6.068 3.799 1.00 62.31 H new ATOM 0 HE2 PHE A 15 11.367 -6.340 1.274 1.00 31.41 H new ATOM 0 HZ PHE A 15 10.303 -5.532 3.341 1.00 60.44 H new ATOM 246 N GLU A 16 8.287 -7.127 -2.786 1.00 13.03 N ATOM 247 CA GLU A 16 9.156 -6.259 -3.592 1.00 33.53 C ATOM 248 C GLU A 16 8.346 -5.408 -4.580 1.00 23.43 C ATOM 249 O GLU A 16 8.417 -4.179 -4.560 1.00 1.13 O ATOM 250 CB GLU A 16 10.185 -7.086 -4.380 1.00 74.24 C ATOM 251 CG GLU A 16 11.159 -6.227 -5.193 1.00 21.10 C ATOM 252 CD GLU A 16 11.982 -7.023 -6.198 1.00 33.02 C ATOM 253 OE1 GLU A 16 12.891 -7.766 -5.776 1.00 51.32 O ATOM 254 OE2 GLU A 16 11.736 -6.892 -7.421 1.00 25.41 O ATOM 0 H GLU A 16 8.415 -8.126 -2.950 1.00 13.03 H new ATOM 0 HA GLU A 16 9.673 -5.600 -2.895 1.00 33.53 H new ATOM 0 HB2 GLU A 16 10.751 -7.706 -3.685 1.00 74.24 H new ATOM 0 HB3 GLU A 16 9.658 -7.762 -5.054 1.00 74.24 H new ATOM 0 HG2 GLU A 16 10.597 -5.459 -5.724 1.00 21.10 H new ATOM 0 HG3 GLU A 16 11.834 -5.713 -4.509 1.00 21.10 H new ATOM 261 N LYS A 17 7.572 -6.075 -5.432 1.00 34.35 N ATOM 262 CA LYS A 17 6.898 -5.409 -6.556 1.00 3.03 C ATOM 263 C LYS A 17 5.942 -4.301 -6.091 1.00 74.33 C ATOM 264 O LYS A 17 5.959 -3.199 -6.631 1.00 31.01 O ATOM 265 CB LYS A 17 6.141 -6.441 -7.402 1.00 71.35 C ATOM 266 CG LYS A 17 6.995 -7.633 -7.829 1.00 55.20 C ATOM 267 CD LYS A 17 8.253 -7.207 -8.581 1.00 13.53 C ATOM 268 CE LYS A 17 9.137 -8.403 -8.919 1.00 71.43 C ATOM 269 NZ LYS A 17 10.389 -7.991 -9.607 1.00 3.24 N ATOM 0 H LYS A 17 7.392 -7.077 -5.370 1.00 34.35 H new ATOM 0 HA LYS A 17 7.670 -4.935 -7.162 1.00 3.03 H new ATOM 0 HB2 LYS A 17 5.284 -6.804 -6.834 1.00 71.35 H new ATOM 0 HB3 LYS A 17 5.748 -5.950 -8.292 1.00 71.35 H new ATOM 0 HG2 LYS A 17 7.279 -8.208 -6.947 1.00 55.20 H new ATOM 0 HG3 LYS A 17 6.402 -8.293 -8.462 1.00 55.20 H new ATOM 0 HD2 LYS A 17 7.972 -6.691 -9.499 1.00 13.53 H new ATOM 0 HD3 LYS A 17 8.816 -6.497 -7.976 1.00 13.53 H new ATOM 0 HE2 LYS A 17 9.386 -8.941 -8.004 1.00 71.43 H new ATOM 0 HE3 LYS A 17 8.584 -9.095 -9.555 1.00 71.43 H new ATOM 0 HZ1 LYS A 17 10.854 -8.828 -10.013 1.00 3.24 H new ATOM 0 HZ2 LYS A 17 10.162 -7.318 -10.367 1.00 3.24 H new ATOM 0 HZ3 LYS A 17 11.028 -7.538 -8.923 1.00 3.24 H new ATOM 283 N ALA A 18 5.111 -4.604 -5.098 1.00 24.51 N ATOM 284 CA ALA A 18 4.137 -3.642 -4.570 1.00 33.42 C ATOM 285 C ALA A 18 4.791 -2.564 -3.688 1.00 21.22 C ATOM 286 O ALA A 18 4.703 -1.371 -3.985 1.00 62.12 O ATOM 287 CB ALA A 18 3.059 -4.380 -3.782 1.00 42.15 C ATOM 0 H ALA A 18 5.090 -5.514 -4.637 1.00 24.51 H new ATOM 0 HA ALA A 18 3.691 -3.130 -5.422 1.00 33.42 H new ATOM 0 HB1 ALA A 18 2.338 -3.662 -3.392 1.00 42.15 H new ATOM 0 HB2 ALA A 18 2.549 -5.087 -4.437 1.00 42.15 H new ATOM 0 HB3 ALA A 18 3.519 -4.919 -2.954 1.00 42.15 H new ATOM 293 N LEU A 19 5.464 -2.987 -2.618 1.00 12.20 N ATOM 294 CA LEU A 19 6.020 -2.053 -1.628 1.00 72.14 C ATOM 295 C LEU A 19 7.069 -1.113 -2.242 1.00 52.45 C ATOM 296 O LEU A 19 6.966 0.108 -2.116 1.00 1.03 O ATOM 297 CB LEU A 19 6.643 -2.834 -0.463 1.00 73.02 C ATOM 298 CG LEU A 19 7.319 -1.982 0.626 1.00 64.44 C ATOM 299 CD1 LEU A 19 6.304 -1.084 1.328 1.00 14.12 C ATOM 300 CD2 LEU A 19 8.036 -2.878 1.631 1.00 53.41 C ATOM 0 H LEU A 19 5.640 -3.970 -2.411 1.00 12.20 H new ATOM 0 HA LEU A 19 5.198 -1.437 -1.265 1.00 72.14 H new ATOM 0 HB2 LEU A 19 5.864 -3.436 0.004 1.00 73.02 H new ATOM 0 HB3 LEU A 19 7.382 -3.526 -0.867 1.00 73.02 H new ATOM 0 HG LEU A 19 8.057 -1.339 0.147 1.00 64.44 H new ATOM 0 HD11 LEU A 19 6.808 -0.493 2.093 1.00 14.12 H new ATOM 0 HD12 LEU A 19 5.843 -0.417 0.599 1.00 14.12 H new ATOM 0 HD13 LEU A 19 5.535 -1.700 1.794 1.00 14.12 H new ATOM 0 HD21 LEU A 19 8.509 -2.262 2.395 1.00 53.41 H new ATOM 0 HD22 LEU A 19 7.315 -3.548 2.100 1.00 53.41 H new ATOM 0 HD23 LEU A 19 8.796 -3.466 1.117 1.00 53.41 H new ATOM 312 N LYS A 20 8.073 -1.683 -2.907 1.00 64.33 N ATOM 313 CA LYS A 20 9.166 -0.887 -3.480 1.00 3.33 C ATOM 314 C LYS A 20 8.626 0.114 -4.518 1.00 44.20 C ATOM 315 O LYS A 20 9.147 1.222 -4.667 1.00 73.32 O ATOM 316 CB LYS A 20 10.219 -1.812 -4.116 1.00 33.51 C ATOM 317 CG LYS A 20 11.604 -1.184 -4.248 1.00 4.41 C ATOM 318 CD LYS A 20 12.197 -0.844 -2.880 1.00 45.33 C ATOM 319 CE LYS A 20 13.626 -0.327 -2.985 1.00 74.14 C ATOM 320 NZ LYS A 20 13.718 0.906 -3.810 1.00 31.54 N ATOM 0 H LYS A 20 8.155 -2.688 -3.064 1.00 64.33 H new ATOM 0 HA LYS A 20 9.639 -0.320 -2.678 1.00 3.33 H new ATOM 0 HB2 LYS A 20 10.299 -2.719 -3.517 1.00 33.51 H new ATOM 0 HB3 LYS A 20 9.873 -2.113 -5.105 1.00 33.51 H new ATOM 0 HG2 LYS A 20 12.268 -1.871 -4.773 1.00 4.41 H new ATOM 0 HG3 LYS A 20 11.539 -0.279 -4.853 1.00 4.41 H new ATOM 0 HD2 LYS A 20 11.575 -0.093 -2.393 1.00 45.33 H new ATOM 0 HD3 LYS A 20 12.179 -1.731 -2.247 1.00 45.33 H new ATOM 0 HE2 LYS A 20 14.011 -0.123 -1.986 1.00 74.14 H new ATOM 0 HE3 LYS A 20 14.259 -1.101 -3.419 1.00 74.14 H new ATOM 0 HZ1 LYS A 20 14.684 1.288 -3.757 1.00 31.54 H new ATOM 0 HZ2 LYS A 20 13.489 0.680 -4.799 1.00 31.54 H new ATOM 0 HZ3 LYS A 20 13.046 1.614 -3.452 1.00 31.54 H new ATOM 334 N GLU A 21 7.570 -0.292 -5.221 1.00 45.02 N ATOM 335 CA GLU A 21 6.876 0.554 -6.186 1.00 12.40 C ATOM 336 C GLU A 21 6.170 1.731 -5.483 1.00 53.24 C ATOM 337 O GLU A 21 6.245 2.879 -5.926 1.00 23.15 O ATOM 338 CB GLU A 21 5.871 -0.332 -6.920 1.00 22.35 C ATOM 339 CG GLU A 21 5.045 0.350 -7.988 1.00 24.23 C ATOM 340 CD GLU A 21 5.863 0.816 -9.191 1.00 13.13 C ATOM 341 OE1 GLU A 21 6.469 -0.039 -9.872 1.00 64.12 O ATOM 342 OE2 GLU A 21 5.885 2.032 -9.474 1.00 52.22 O ATOM 0 H GLU A 21 7.170 -1.226 -5.135 1.00 45.02 H new ATOM 0 HA GLU A 21 7.583 0.992 -6.890 1.00 12.40 H new ATOM 0 HB2 GLU A 21 6.413 -1.159 -7.380 1.00 22.35 H new ATOM 0 HB3 GLU A 21 5.193 -0.765 -6.185 1.00 22.35 H new ATOM 0 HG2 GLU A 21 4.271 -0.337 -8.330 1.00 24.23 H new ATOM 0 HG3 GLU A 21 4.538 1.209 -7.549 1.00 24.23 H new ATOM 349 N MET A 22 5.499 1.438 -4.370 1.00 3.24 N ATOM 350 CA MET A 22 4.831 2.473 -3.569 1.00 51.32 C ATOM 351 C MET A 22 5.848 3.458 -2.968 1.00 33.41 C ATOM 352 O MET A 22 5.652 4.676 -3.006 1.00 31.12 O ATOM 353 CB MET A 22 3.996 1.815 -2.461 1.00 32.42 C ATOM 354 CG MET A 22 2.863 0.945 -2.992 1.00 71.24 C ATOM 355 SD MET A 22 2.006 0.039 -1.689 1.00 22.33 S ATOM 356 CE MET A 22 1.351 1.380 -0.702 1.00 52.21 C ATOM 0 H MET A 22 5.401 0.493 -3.999 1.00 3.24 H new ATOM 0 HA MET A 22 4.171 3.042 -4.224 1.00 51.32 H new ATOM 0 HB2 MET A 22 4.650 1.206 -1.837 1.00 32.42 H new ATOM 0 HB3 MET A 22 3.578 2.592 -1.821 1.00 32.42 H new ATOM 0 HG2 MET A 22 2.147 1.573 -3.522 1.00 71.24 H new ATOM 0 HG3 MET A 22 3.264 0.237 -3.717 1.00 71.24 H new ATOM 0 HE1 MET A 22 0.575 0.998 -0.038 1.00 52.21 H new ATOM 0 HE2 MET A 22 2.152 1.820 -0.108 1.00 52.21 H new ATOM 0 HE3 MET A 22 0.926 2.140 -1.357 1.00 52.21 H new ATOM 366 N ILE A 23 6.942 2.925 -2.422 1.00 45.54 N ATOM 367 CA ILE A 23 8.034 3.756 -1.899 1.00 51.25 C ATOM 368 C ILE A 23 8.646 4.618 -3.015 1.00 75.55 C ATOM 369 O ILE A 23 8.971 5.787 -2.805 1.00 52.33 O ATOM 370 CB ILE A 23 9.148 2.890 -1.253 1.00 21.32 C ATOM 371 CG1 ILE A 23 8.575 2.062 -0.093 1.00 5.14 C ATOM 372 CG2 ILE A 23 10.313 3.759 -0.770 1.00 53.04 C ATOM 373 CD1 ILE A 23 9.586 1.158 0.580 1.00 3.03 C ATOM 0 H ILE A 23 7.098 1.921 -2.329 1.00 45.54 H new ATOM 0 HA ILE A 23 7.606 4.403 -1.134 1.00 51.25 H new ATOM 0 HB ILE A 23 9.531 2.209 -2.013 1.00 21.32 H new ATOM 0 HG12 ILE A 23 8.158 2.740 0.652 1.00 5.14 H new ATOM 0 HG13 ILE A 23 7.752 1.453 -0.467 1.00 5.14 H new ATOM 0 HG21 ILE A 23 11.078 3.125 -0.322 1.00 53.04 H new ATOM 0 HG22 ILE A 23 10.739 4.299 -1.615 1.00 53.04 H new ATOM 0 HG23 ILE A 23 9.952 4.472 -0.028 1.00 53.04 H new ATOM 0 HD11 ILE A 23 9.102 0.609 1.387 1.00 3.03 H new ATOM 0 HD12 ILE A 23 9.986 0.454 -0.149 1.00 3.03 H new ATOM 0 HD13 ILE A 23 10.398 1.760 0.987 1.00 3.03 H new ATOM 385 N ARG A 24 8.784 4.024 -4.202 1.00 23.42 N ATOM 386 CA ARG A 24 9.281 4.729 -5.393 1.00 3.25 C ATOM 387 C ARG A 24 8.541 6.062 -5.607 1.00 11.42 C ATOM 388 O ARG A 24 9.164 7.121 -5.718 1.00 64.14 O ATOM 389 CB ARG A 24 9.118 3.821 -6.621 1.00 53.43 C ATOM 390 CG ARG A 24 9.293 4.521 -7.965 1.00 63.24 C ATOM 391 CD ARG A 24 9.015 3.563 -9.118 1.00 33.44 C ATOM 392 NE ARG A 24 8.913 4.246 -10.407 1.00 5.04 N ATOM 393 CZ ARG A 24 8.994 3.639 -11.558 1.00 22.22 C ATOM 394 NH1 ARG A 24 9.210 2.367 -11.617 1.00 12.22 N ATOM 395 NH2 ARG A 24 8.852 4.304 -12.654 1.00 30.44 N ATOM 0 H ARG A 24 8.556 3.044 -4.368 1.00 23.42 H new ATOM 0 HA ARG A 24 10.336 4.963 -5.246 1.00 3.25 H new ATOM 0 HB2 ARG A 24 9.843 3.009 -6.553 1.00 53.43 H new ATOM 0 HB3 ARG A 24 8.127 3.367 -6.590 1.00 53.43 H new ATOM 0 HG2 ARG A 24 8.618 5.375 -8.025 1.00 63.24 H new ATOM 0 HG3 ARG A 24 10.308 4.911 -8.047 1.00 63.24 H new ATOM 0 HD2 ARG A 24 9.811 2.820 -9.167 1.00 33.44 H new ATOM 0 HD3 ARG A 24 8.088 3.025 -8.922 1.00 33.44 H new ATOM 0 HE ARG A 24 8.770 5.256 -10.406 1.00 5.04 H new ATOM 0 HH11 ARG A 24 9.319 1.828 -10.758 1.00 12.22 H new ATOM 0 HH12 ARG A 24 9.272 1.902 -12.523 1.00 12.22 H new ATOM 0 HH21 ARG A 24 8.676 5.308 -12.622 1.00 30.44 H new ATOM 0 HH22 ARG A 24 8.916 3.826 -13.553 1.00 30.44 H new ATOM 409 N GLN A 25 7.212 6.004 -5.657 1.00 64.34 N ATOM 410 CA GLN A 25 6.391 7.216 -5.757 1.00 24.21 C ATOM 411 C GLN A 25 6.603 8.135 -4.543 1.00 53.53 C ATOM 412 O GLN A 25 6.737 9.352 -4.687 1.00 50.01 O ATOM 413 CB GLN A 25 4.905 6.846 -5.911 1.00 11.22 C ATOM 414 CG GLN A 25 4.483 6.567 -7.355 1.00 25.22 C ATOM 415 CD GLN A 25 5.370 5.552 -8.063 1.00 13.32 C ATOM 416 OE1 GLN A 25 6.366 5.907 -8.689 1.00 14.04 O ATOM 417 NE2 GLN A 25 5.006 4.292 -7.986 1.00 64.23 N ATOM 0 H GLN A 25 6.679 5.135 -5.630 1.00 64.34 H new ATOM 0 HA GLN A 25 6.705 7.765 -6.645 1.00 24.21 H new ATOM 0 HB2 GLN A 25 4.695 5.965 -5.305 1.00 11.22 H new ATOM 0 HB3 GLN A 25 4.295 7.658 -5.515 1.00 11.22 H new ATOM 0 HG2 GLN A 25 3.455 6.205 -7.361 1.00 25.22 H new ATOM 0 HG3 GLN A 25 4.495 7.502 -7.916 1.00 25.22 H new ATOM 0 HE21 GLN A 25 4.173 4.033 -7.457 1.00 64.23 H new ATOM 0 HE22 GLN A 25 5.556 3.573 -8.455 1.00 64.23 H new ATOM 426 N ALA A 26 6.658 7.542 -3.351 1.00 73.45 N ATOM 427 CA ALA A 26 6.902 8.297 -2.114 1.00 10.33 C ATOM 428 C ALA A 26 8.247 9.045 -2.149 1.00 62.14 C ATOM 429 O ALA A 26 8.430 10.038 -1.448 1.00 74.44 O ATOM 430 CB ALA A 26 6.845 7.366 -0.909 1.00 31.55 C ATOM 0 H ALA A 26 6.537 6.539 -3.212 1.00 73.45 H new ATOM 0 HA ALA A 26 6.115 9.047 -2.028 1.00 10.33 H new ATOM 0 HB1 ALA A 26 7.027 7.937 0.001 1.00 31.55 H new ATOM 0 HB2 ALA A 26 5.861 6.901 -0.855 1.00 31.55 H new ATOM 0 HB3 ALA A 26 7.606 6.593 -1.010 1.00 31.55 H new ATOM 436 N ARG A 27 9.193 8.549 -2.946 1.00 14.34 N ATOM 437 CA ARG A 27 10.484 9.225 -3.127 1.00 11.52 C ATOM 438 C ARG A 27 10.365 10.421 -4.085 1.00 43.23 C ATOM 439 O ARG A 27 11.098 11.403 -3.960 1.00 23.20 O ATOM 440 CB ARG A 27 11.553 8.238 -3.621 1.00 13.02 C ATOM 441 CG ARG A 27 11.781 7.041 -2.689 1.00 74.43 C ATOM 442 CD ARG A 27 12.244 7.455 -1.289 1.00 45.52 C ATOM 443 NE ARG A 27 11.212 8.182 -0.541 1.00 53.23 N ATOM 444 CZ ARG A 27 11.413 8.772 0.606 1.00 31.04 C ATOM 445 NH1 ARG A 27 12.554 8.666 1.206 1.00 42.20 N ATOM 446 NH2 ARG A 27 10.464 9.458 1.156 1.00 3.41 N ATOM 0 H ARG A 27 9.093 7.684 -3.477 1.00 14.34 H new ATOM 0 HA ARG A 27 10.793 9.609 -2.155 1.00 11.52 H new ATOM 0 HB2 ARG A 27 11.264 7.868 -4.605 1.00 13.02 H new ATOM 0 HB3 ARG A 27 12.495 8.772 -3.746 1.00 13.02 H new ATOM 0 HG2 ARG A 27 10.856 6.470 -2.606 1.00 74.43 H new ATOM 0 HG3 ARG A 27 12.526 6.379 -3.131 1.00 74.43 H new ATOM 0 HD2 ARG A 27 12.533 6.566 -0.729 1.00 45.52 H new ATOM 0 HD3 ARG A 27 13.132 8.081 -1.375 1.00 45.52 H new ATOM 0 HE ARG A 27 10.276 8.229 -0.944 1.00 53.23 H new ATOM 0 HH11 ARG A 27 13.304 8.119 0.783 1.00 42.20 H new ATOM 0 HH12 ARG A 27 12.704 9.130 2.102 1.00 42.20 H new ATOM 0 HH21 ARG A 27 9.558 9.538 0.693 1.00 3.41 H new ATOM 0 HH22 ARG A 27 10.621 9.919 2.052 1.00 3.41 H new ATOM 460 N LYS A 28 9.436 10.338 -5.036 1.00 23.33 N ATOM 461 CA LYS A 28 9.169 11.459 -5.946 1.00 21.30 C ATOM 462 C LYS A 28 8.377 12.569 -5.231 1.00 21.13 C ATOM 463 O LYS A 28 8.584 13.760 -5.481 1.00 65.51 O ATOM 464 CB LYS A 28 8.411 10.968 -7.188 1.00 43.21 C ATOM 465 CG LYS A 28 9.189 9.933 -8.000 1.00 72.34 C ATOM 466 CD LYS A 28 8.466 9.548 -9.291 1.00 30.50 C ATOM 467 CE LYS A 28 7.099 8.928 -9.022 1.00 73.33 C ATOM 468 NZ LYS A 28 6.425 8.495 -10.275 1.00 53.34 N ATOM 0 H LYS A 28 8.857 9.514 -5.199 1.00 23.33 H new ATOM 0 HA LYS A 28 10.124 11.878 -6.264 1.00 21.30 H new ATOM 0 HB2 LYS A 28 7.460 10.536 -6.877 1.00 43.21 H new ATOM 0 HB3 LYS A 28 8.180 11.821 -7.826 1.00 43.21 H new ATOM 0 HG2 LYS A 28 10.175 10.330 -8.242 1.00 72.34 H new ATOM 0 HG3 LYS A 28 9.345 9.041 -7.393 1.00 72.34 H new ATOM 0 HD2 LYS A 28 8.345 10.433 -9.916 1.00 30.50 H new ATOM 0 HD3 LYS A 28 9.079 8.843 -9.852 1.00 30.50 H new ATOM 0 HE2 LYS A 28 7.214 8.071 -8.358 1.00 73.33 H new ATOM 0 HE3 LYS A 28 6.469 9.651 -8.503 1.00 73.33 H new ATOM 0 HZ1 LYS A 28 5.575 9.073 -10.429 1.00 53.34 H new ATOM 0 HZ2 LYS A 28 7.075 8.614 -11.078 1.00 53.34 H new ATOM 0 HZ3 LYS A 28 6.153 7.494 -10.195 1.00 53.34 H new ATOM 482 N PHE A 29 7.471 12.167 -4.338 1.00 31.01 N ATOM 483 CA PHE A 29 6.718 13.114 -3.502 1.00 34.35 C ATOM 484 C PHE A 29 7.459 13.386 -2.177 1.00 65.11 C ATOM 485 O PHE A 29 8.593 12.947 -1.987 1.00 21.23 O ATOM 486 CB PHE A 29 5.306 12.568 -3.211 1.00 73.40 C ATOM 487 CG PHE A 29 4.464 12.350 -4.449 1.00 1.24 C ATOM 488 CD1 PHE A 29 3.810 13.413 -5.053 1.00 70.51 C ATOM 489 CD2 PHE A 29 4.325 11.085 -5.005 1.00 15.34 C ATOM 490 CE1 PHE A 29 3.040 13.222 -6.184 1.00 31.53 C ATOM 491 CE2 PHE A 29 3.553 10.889 -6.137 1.00 41.43 C ATOM 492 CZ PHE A 29 2.911 11.958 -6.726 1.00 24.43 C ATOM 0 H PHE A 29 7.238 11.188 -4.172 1.00 31.01 H new ATOM 0 HA PHE A 29 6.631 14.052 -4.049 1.00 34.35 H new ATOM 0 HB2 PHE A 29 5.396 11.624 -2.674 1.00 73.40 H new ATOM 0 HB3 PHE A 29 4.788 13.262 -2.549 1.00 73.40 H new ATOM 0 HD1 PHE A 29 3.904 14.404 -4.634 1.00 70.51 H new ATOM 0 HD2 PHE A 29 4.825 10.244 -4.548 1.00 15.34 H new ATOM 0 HE1 PHE A 29 2.539 14.061 -6.644 1.00 31.53 H new ATOM 0 HE2 PHE A 29 3.453 9.900 -6.559 1.00 41.43 H new ATOM 0 HZ PHE A 29 2.308 11.807 -7.609 1.00 24.43 H new ATOM 502 N ALA A 30 6.823 14.122 -1.265 1.00 13.52 N ATOM 503 CA ALA A 30 7.417 14.398 0.054 1.00 24.15 C ATOM 504 C ALA A 30 6.891 13.434 1.132 1.00 65.03 C ATOM 505 O ALA A 30 7.135 13.628 2.325 1.00 62.31 O ATOM 506 CB ALA A 30 7.144 15.843 0.460 1.00 22.23 C ATOM 0 H ALA A 30 5.903 14.538 -1.409 1.00 13.52 H new ATOM 0 HA ALA A 30 8.493 14.243 -0.029 1.00 24.15 H new ATOM 0 HB1 ALA A 30 7.587 16.036 1.437 1.00 22.23 H new ATOM 0 HB2 ALA A 30 7.581 16.517 -0.277 1.00 22.23 H new ATOM 0 HB3 ALA A 30 6.068 16.010 0.511 1.00 22.23 H new ATOM 512 N GLY A 31 6.185 12.391 0.708 1.00 42.40 N ATOM 513 CA GLY A 31 5.592 11.446 1.652 1.00 74.51 C ATOM 514 C GLY A 31 6.560 10.355 2.110 1.00 20.31 C ATOM 515 O GLY A 31 7.664 10.213 1.573 1.00 51.55 O ATOM 0 H GLY A 31 6.010 12.178 -0.274 1.00 42.40 H new ATOM 0 HA2 GLY A 31 5.233 11.992 2.524 1.00 74.51 H new ATOM 0 HA3 GLY A 31 4.723 10.979 1.189 1.00 74.51 H new ATOM 519 N THR A 32 6.150 9.583 3.115 1.00 5.42 N ATOM 520 CA THR A 32 6.967 8.477 3.634 1.00 21.41 C ATOM 521 C THR A 32 6.128 7.208 3.828 1.00 74.32 C ATOM 522 O THR A 32 5.006 7.265 4.336 1.00 12.30 O ATOM 523 CB THR A 32 7.643 8.852 4.978 1.00 62.44 C ATOM 524 OG1 THR A 32 8.470 10.012 4.798 1.00 33.32 O ATOM 525 CG2 THR A 32 8.496 7.705 5.519 1.00 71.33 C ATOM 0 H THR A 32 5.255 9.700 3.590 1.00 5.42 H new ATOM 0 HA THR A 32 7.741 8.283 2.891 1.00 21.41 H new ATOM 0 HB THR A 32 6.853 9.061 5.700 1.00 62.44 H new ATOM 0 HG1 THR A 32 8.894 10.247 5.650 1.00 33.32 H new ATOM 0 HG21 THR A 32 8.954 8.005 6.462 1.00 71.33 H new ATOM 0 HG22 THR A 32 7.867 6.830 5.683 1.00 71.33 H new ATOM 0 HG23 THR A 32 9.277 7.461 4.798 1.00 71.33 H new ATOM 533 N VAL A 33 6.676 6.068 3.415 1.00 63.15 N ATOM 534 CA VAL A 33 5.974 4.783 3.506 1.00 11.03 C ATOM 535 C VAL A 33 6.598 3.860 4.567 1.00 5.30 C ATOM 536 O VAL A 33 7.791 3.559 4.523 1.00 2.42 O ATOM 537 CB VAL A 33 5.975 4.054 2.137 1.00 22.42 C ATOM 538 CG1 VAL A 33 5.316 2.682 2.245 1.00 33.00 C ATOM 539 CG2 VAL A 33 5.280 4.902 1.073 1.00 73.23 C ATOM 0 H VAL A 33 7.610 6.004 3.011 1.00 63.15 H new ATOM 0 HA VAL A 33 4.949 5.008 3.801 1.00 11.03 H new ATOM 0 HB VAL A 33 7.012 3.907 1.837 1.00 22.42 H new ATOM 0 HG11 VAL A 33 5.331 2.194 1.271 1.00 33.00 H new ATOM 0 HG12 VAL A 33 5.862 2.072 2.965 1.00 33.00 H new ATOM 0 HG13 VAL A 33 4.284 2.799 2.577 1.00 33.00 H new ATOM 0 HG21 VAL A 33 5.292 4.372 0.121 1.00 73.23 H new ATOM 0 HG22 VAL A 33 4.248 5.088 1.372 1.00 73.23 H new ATOM 0 HG23 VAL A 33 5.803 5.852 0.966 1.00 73.23 H new ATOM 549 N THR A 34 5.782 3.416 5.520 1.00 2.12 N ATOM 550 CA THR A 34 6.215 2.424 6.520 1.00 2.14 C ATOM 551 C THR A 34 5.395 1.134 6.393 1.00 54.33 C ATOM 552 O THR A 34 4.289 1.142 5.851 1.00 34.24 O ATOM 553 CB THR A 34 6.102 2.956 7.970 1.00 52.20 C ATOM 554 OG1 THR A 34 6.501 1.934 8.896 1.00 12.31 O ATOM 555 CG2 THR A 34 4.682 3.410 8.294 1.00 32.41 C ATOM 0 H THR A 34 4.815 3.723 5.627 1.00 2.12 H new ATOM 0 HA THR A 34 7.266 2.219 6.316 1.00 2.14 H new ATOM 0 HB THR A 34 6.762 3.819 8.060 1.00 52.20 H new ATOM 0 HG1 THR A 34 6.429 2.276 9.812 1.00 12.31 H new ATOM 0 HG21 THR A 34 4.642 3.777 9.320 1.00 32.41 H new ATOM 0 HG22 THR A 34 4.391 4.209 7.612 1.00 32.41 H new ATOM 0 HG23 THR A 34 3.997 2.570 8.182 1.00 32.41 H new ATOM 563 N TYR A 35 5.930 0.029 6.904 1.00 24.44 N ATOM 564 CA TYR A 35 5.294 -1.282 6.730 1.00 10.44 C ATOM 565 C TYR A 35 5.685 -2.264 7.843 1.00 24.12 C ATOM 566 O TYR A 35 6.823 -2.264 8.317 1.00 53.33 O ATOM 567 CB TYR A 35 5.676 -1.870 5.362 1.00 41.31 C ATOM 568 CG TYR A 35 7.175 -2.025 5.156 1.00 23.14 C ATOM 569 CD1 TYR A 35 7.961 -0.938 4.782 1.00 30.33 C ATOM 570 CD2 TYR A 35 7.807 -3.253 5.342 1.00 52.24 C ATOM 571 CE1 TYR A 35 9.322 -1.070 4.596 1.00 35.34 C ATOM 572 CE2 TYR A 35 9.171 -3.391 5.158 1.00 43.51 C ATOM 573 CZ TYR A 35 9.923 -2.298 4.786 1.00 51.33 C ATOM 574 OH TYR A 35 11.280 -2.431 4.600 1.00 54.54 O ATOM 0 H TYR A 35 6.798 0.010 7.440 1.00 24.44 H new ATOM 0 HA TYR A 35 4.215 -1.134 6.783 1.00 10.44 H new ATOM 0 HB2 TYR A 35 5.201 -2.845 5.251 1.00 41.31 H new ATOM 0 HB3 TYR A 35 5.275 -1.229 4.577 1.00 41.31 H new ATOM 0 HD1 TYR A 35 7.497 0.026 4.635 1.00 30.33 H new ATOM 0 HD2 TYR A 35 7.222 -4.112 5.635 1.00 52.24 H new ATOM 0 HE1 TYR A 35 9.915 -0.216 4.303 1.00 35.34 H new ATOM 0 HE2 TYR A 35 9.644 -4.351 5.305 1.00 43.51 H new ATOM 0 HH TYR A 35 11.545 -3.358 4.775 1.00 54.54 H new ATOM 584 N THR A 36 4.739 -3.106 8.252 1.00 4.03 N ATOM 585 CA THR A 36 5.005 -4.144 9.260 1.00 65.41 C ATOM 586 C THR A 36 4.590 -5.533 8.757 1.00 30.22 C ATOM 587 O THR A 36 3.481 -5.720 8.250 1.00 35.41 O ATOM 588 CB THR A 36 4.283 -3.854 10.601 1.00 53.35 C ATOM 589 OG1 THR A 36 4.523 -4.922 11.533 1.00 54.42 O ATOM 590 CG2 THR A 36 2.779 -3.672 10.403 1.00 3.51 C ATOM 0 H THR A 36 3.780 -3.095 7.905 1.00 4.03 H new ATOM 0 HA THR A 36 6.081 -4.129 9.434 1.00 65.41 H new ATOM 0 HB THR A 36 4.687 -2.923 10.999 1.00 53.35 H new ATOM 0 HG1 THR A 36 4.064 -4.729 12.377 1.00 54.42 H new ATOM 0 HG21 THR A 36 2.307 -3.470 11.365 1.00 3.51 H new ATOM 0 HG22 THR A 36 2.600 -2.835 9.728 1.00 3.51 H new ATOM 0 HG23 THR A 36 2.356 -4.581 9.975 1.00 3.51 H new ATOM 598 N LEU A 37 5.498 -6.499 8.878 1.00 70.21 N ATOM 599 CA LEU A 37 5.210 -7.884 8.495 1.00 33.10 C ATOM 600 C LEU A 37 4.630 -8.673 9.675 1.00 54.51 C ATOM 601 O LEU A 37 5.144 -8.608 10.796 1.00 71.34 O ATOM 602 CB LEU A 37 6.479 -8.585 7.978 1.00 5.31 C ATOM 603 CG LEU A 37 6.921 -8.221 6.548 1.00 33.00 C ATOM 604 CD1 LEU A 37 5.857 -8.629 5.531 1.00 32.10 C ATOM 605 CD2 LEU A 37 7.237 -6.731 6.433 1.00 21.21 C ATOM 0 H LEU A 37 6.441 -6.350 9.238 1.00 70.21 H new ATOM 0 HA LEU A 37 4.470 -7.855 7.695 1.00 33.10 H new ATOM 0 HB2 LEU A 37 7.299 -8.356 8.659 1.00 5.31 H new ATOM 0 HB3 LEU A 37 6.318 -9.662 8.023 1.00 5.31 H new ATOM 0 HG LEU A 37 7.833 -8.775 6.328 1.00 33.00 H new ATOM 0 HD11 LEU A 37 6.191 -8.362 4.528 1.00 32.10 H new ATOM 0 HD12 LEU A 37 5.696 -9.706 5.585 1.00 32.10 H new ATOM 0 HD13 LEU A 37 4.924 -8.111 5.753 1.00 32.10 H new ATOM 0 HD21 LEU A 37 7.546 -6.502 5.413 1.00 21.21 H new ATOM 0 HD22 LEU A 37 6.349 -6.150 6.682 1.00 21.21 H new ATOM 0 HD23 LEU A 37 8.042 -6.476 7.122 1.00 21.21 H new ATOM 617 N ASP A 38 3.560 -9.413 9.419 1.00 72.40 N ATOM 618 CA ASP A 38 2.933 -10.251 10.439 1.00 14.53 C ATOM 619 C ASP A 38 2.533 -11.612 9.846 1.00 12.33 C ATOM 620 O ASP A 38 1.382 -11.820 9.462 1.00 21.03 O ATOM 621 CB ASP A 38 1.710 -9.532 11.023 1.00 24.14 C ATOM 622 CG ASP A 38 1.249 -10.142 12.334 1.00 53.55 C ATOM 623 OD1 ASP A 38 1.919 -9.904 13.361 1.00 63.34 O ATOM 624 OD2 ASP A 38 0.219 -10.852 12.348 1.00 54.20 O ATOM 0 H ASP A 38 3.103 -9.452 8.508 1.00 72.40 H new ATOM 0 HA ASP A 38 3.650 -10.430 11.241 1.00 14.53 H new ATOM 0 HB2 ASP A 38 1.951 -8.481 11.180 1.00 24.14 H new ATOM 0 HB3 ASP A 38 0.893 -9.567 10.302 1.00 24.14 H new ATOM 629 N GLY A 39 3.503 -12.519 9.743 1.00 55.23 N ATOM 630 CA GLY A 39 3.255 -13.839 9.161 1.00 72.14 C ATOM 631 C GLY A 39 2.801 -13.790 7.699 1.00 22.40 C ATOM 632 O GLY A 39 3.614 -13.902 6.782 1.00 42.02 O ATOM 0 H GLY A 39 4.463 -12.367 10.053 1.00 55.23 H new ATOM 0 HA2 GLY A 39 4.166 -14.434 9.230 1.00 72.14 H new ATOM 0 HA3 GLY A 39 2.495 -14.350 9.752 1.00 72.14 H new ATOM 636 N ASN A 40 1.498 -13.627 7.488 1.00 42.44 N ATOM 637 CA ASN A 40 0.918 -13.558 6.136 1.00 24.21 C ATOM 638 C ASN A 40 0.262 -12.189 5.872 1.00 32.13 C ATOM 639 O ASN A 40 -0.419 -11.995 4.861 1.00 54.31 O ATOM 640 CB ASN A 40 -0.102 -14.690 5.954 1.00 33.02 C ATOM 641 CG ASN A 40 -1.022 -14.835 7.154 1.00 71.24 C ATOM 642 OD1 ASN A 40 -2.085 -14.231 7.223 1.00 52.24 O ATOM 643 ND2 ASN A 40 -0.613 -15.634 8.118 1.00 20.52 N ATOM 0 H ASN A 40 0.813 -13.539 8.238 1.00 42.44 H new ATOM 0 HA ASN A 40 1.723 -13.678 5.411 1.00 24.21 H new ATOM 0 HB2 ASN A 40 -0.699 -14.498 5.062 1.00 33.02 H new ATOM 0 HB3 ASN A 40 0.426 -15.629 5.788 1.00 33.02 H new ATOM 0 HD21 ASN A 40 -1.187 -15.763 8.951 1.00 20.52 H new ATOM 0 HD22 ASN A 40 0.278 -16.124 8.031 1.00 20.52 H new ATOM 650 N ASP A 41 0.482 -11.242 6.786 1.00 74.31 N ATOM 651 CA ASP A 41 -0.059 -9.881 6.662 1.00 34.15 C ATOM 652 C ASP A 41 1.061 -8.844 6.443 1.00 21.03 C ATOM 653 O ASP A 41 2.042 -8.805 7.187 1.00 12.14 O ATOM 654 CB ASP A 41 -0.857 -9.516 7.923 1.00 11.45 C ATOM 655 CG ASP A 41 -2.089 -10.388 8.109 1.00 1.13 C ATOM 656 OD1 ASP A 41 -1.959 -11.511 8.641 1.00 51.41 O ATOM 657 OD2 ASP A 41 -3.197 -9.945 7.745 1.00 43.32 O ATOM 0 H ASP A 41 1.036 -11.392 7.629 1.00 74.31 H new ATOM 0 HA ASP A 41 -0.715 -9.863 5.792 1.00 34.15 H new ATOM 0 HB2 ASP A 41 -0.213 -9.613 8.797 1.00 11.45 H new ATOM 0 HB3 ASP A 41 -1.161 -8.471 7.866 1.00 11.45 H new ATOM 662 N LEU A 42 0.910 -8.014 5.415 1.00 44.41 N ATOM 663 CA LEU A 42 1.834 -6.901 5.161 1.00 73.51 C ATOM 664 C LEU A 42 1.092 -5.558 5.258 1.00 75.30 C ATOM 665 O LEU A 42 0.458 -5.111 4.302 1.00 22.45 O ATOM 666 CB LEU A 42 2.501 -7.056 3.782 1.00 1.34 C ATOM 667 CG LEU A 42 3.338 -5.852 3.303 1.00 12.11 C ATOM 668 CD1 LEU A 42 4.466 -5.534 4.281 1.00 4.22 C ATOM 669 CD2 LEU A 42 3.892 -6.104 1.902 1.00 50.21 C ATOM 0 H LEU A 42 0.152 -8.088 4.737 1.00 44.41 H new ATOM 0 HA LEU A 42 2.615 -6.918 5.921 1.00 73.51 H new ATOM 0 HB2 LEU A 42 3.145 -7.935 3.807 1.00 1.34 H new ATOM 0 HB3 LEU A 42 1.724 -7.251 3.043 1.00 1.34 H new ATOM 0 HG LEU A 42 2.680 -4.984 3.263 1.00 12.11 H new ATOM 0 HD11 LEU A 42 5.036 -4.681 3.914 1.00 4.22 H new ATOM 0 HD12 LEU A 42 4.044 -5.295 5.257 1.00 4.22 H new ATOM 0 HD13 LEU A 42 5.124 -6.398 4.371 1.00 4.22 H new ATOM 0 HD21 LEU A 42 4.479 -5.243 1.583 1.00 50.21 H new ATOM 0 HD22 LEU A 42 4.526 -6.991 1.915 1.00 50.21 H new ATOM 0 HD23 LEU A 42 3.067 -6.258 1.207 1.00 50.21 H new ATOM 681 N GLU A 43 1.156 -4.928 6.428 1.00 64.41 N ATOM 682 CA GLU A 43 0.425 -3.680 6.666 1.00 61.15 C ATOM 683 C GLU A 43 1.300 -2.447 6.375 1.00 24.41 C ATOM 684 O GLU A 43 2.275 -2.175 7.077 1.00 1.21 O ATOM 685 CB GLU A 43 -0.110 -3.657 8.106 1.00 44.30 C ATOM 686 CG GLU A 43 -0.958 -4.883 8.443 1.00 5.33 C ATOM 687 CD GLU A 43 -1.653 -4.785 9.790 1.00 4.23 C ATOM 688 OE1 GLU A 43 -2.732 -4.157 9.858 1.00 62.43 O ATOM 689 OE2 GLU A 43 -1.144 -5.357 10.774 1.00 74.01 O ATOM 0 H GLU A 43 1.703 -5.256 7.224 1.00 64.41 H new ATOM 0 HA GLU A 43 -0.419 -3.638 5.978 1.00 61.15 H new ATOM 0 HB2 GLU A 43 0.729 -3.600 8.799 1.00 44.30 H new ATOM 0 HB3 GLU A 43 -0.707 -2.757 8.253 1.00 44.30 H new ATOM 0 HG2 GLU A 43 -1.708 -5.021 7.665 1.00 5.33 H new ATOM 0 HG3 GLU A 43 -0.323 -5.769 8.434 1.00 5.33 H new ATOM 696 N ILE A 44 0.937 -1.715 5.323 1.00 70.54 N ATOM 697 CA ILE A 44 1.715 -0.567 4.840 1.00 63.31 C ATOM 698 C ILE A 44 1.000 0.773 5.116 1.00 62.10 C ATOM 699 O ILE A 44 -0.031 1.075 4.514 1.00 32.13 O ATOM 700 CB ILE A 44 1.972 -0.695 3.315 1.00 65.25 C ATOM 701 CG1 ILE A 44 2.684 -2.022 2.995 1.00 2.41 C ATOM 702 CG2 ILE A 44 2.785 0.493 2.803 1.00 72.51 C ATOM 703 CD1 ILE A 44 2.906 -2.259 1.515 1.00 42.04 C ATOM 0 H ILE A 44 0.094 -1.899 4.778 1.00 70.54 H new ATOM 0 HA ILE A 44 2.660 -0.571 5.383 1.00 63.31 H new ATOM 0 HB ILE A 44 1.009 -0.693 2.804 1.00 65.25 H new ATOM 0 HG12 ILE A 44 3.648 -2.038 3.504 1.00 2.41 H new ATOM 0 HG13 ILE A 44 2.096 -2.845 3.401 1.00 2.41 H new ATOM 0 HG21 ILE A 44 2.954 0.384 1.732 1.00 72.51 H new ATOM 0 HG22 ILE A 44 2.238 1.417 2.992 1.00 72.51 H new ATOM 0 HG23 ILE A 44 3.744 0.527 3.320 1.00 72.51 H new ATOM 0 HD11 ILE A 44 3.412 -3.213 1.371 1.00 42.04 H new ATOM 0 HD12 ILE A 44 1.945 -2.277 1.001 1.00 42.04 H new ATOM 0 HD13 ILE A 44 3.521 -1.457 1.106 1.00 42.04 H new ATOM 715 N ARG A 45 1.563 1.578 6.014 1.00 43.11 N ATOM 716 CA ARG A 45 0.995 2.892 6.350 1.00 5.52 C ATOM 717 C ARG A 45 1.767 4.029 5.657 1.00 11.41 C ATOM 718 O ARG A 45 2.992 4.112 5.753 1.00 23.21 O ATOM 719 CB ARG A 45 1.002 3.099 7.873 1.00 64.33 C ATOM 720 CG ARG A 45 0.639 4.518 8.308 1.00 21.52 C ATOM 721 CD ARG A 45 0.550 4.645 9.827 1.00 65.11 C ATOM 722 NE ARG A 45 0.428 6.040 10.254 1.00 1.43 N ATOM 723 CZ ARG A 45 -0.694 6.700 10.304 1.00 74.35 C ATOM 724 NH1 ARG A 45 -1.811 6.141 9.964 1.00 71.00 N ATOM 725 NH2 ARG A 45 -0.691 7.932 10.691 1.00 4.43 N ATOM 0 H ARG A 45 2.414 1.347 6.526 1.00 43.11 H new ATOM 0 HA ARG A 45 -0.034 2.915 5.990 1.00 5.52 H new ATOM 0 HB2 ARG A 45 0.300 2.400 8.328 1.00 64.33 H new ATOM 0 HB3 ARG A 45 1.992 2.854 8.258 1.00 64.33 H new ATOM 0 HG2 ARG A 45 1.386 5.216 7.929 1.00 21.52 H new ATOM 0 HG3 ARG A 45 -0.316 4.800 7.864 1.00 21.52 H new ATOM 0 HD2 ARG A 45 -0.308 4.079 10.189 1.00 65.11 H new ATOM 0 HD3 ARG A 45 1.437 4.203 10.280 1.00 65.11 H new ATOM 0 HE ARG A 45 1.279 6.528 10.531 1.00 1.43 H new ATOM 0 HH11 ARG A 45 -1.821 5.170 9.651 1.00 71.00 H new ATOM 0 HH12 ARG A 45 -2.681 6.671 10.009 1.00 71.00 H new ATOM 0 HH21 ARG A 45 0.186 8.382 10.955 1.00 4.43 H new ATOM 0 HH22 ARG A 45 -1.565 8.456 10.733 1.00 4.43 H new ATOM 739 N ILE A 46 1.045 4.906 4.960 1.00 31.20 N ATOM 740 CA ILE A 46 1.663 6.046 4.268 1.00 43.11 C ATOM 741 C ILE A 46 1.282 7.386 4.930 1.00 21.21 C ATOM 742 O ILE A 46 0.106 7.660 5.185 1.00 44.15 O ATOM 743 CB ILE A 46 1.257 6.090 2.772 1.00 44.01 C ATOM 744 CG1 ILE A 46 1.579 4.750 2.085 1.00 74.25 C ATOM 745 CG2 ILE A 46 1.966 7.243 2.059 1.00 33.21 C ATOM 746 CD1 ILE A 46 1.205 4.712 0.618 1.00 63.34 C ATOM 0 H ILE A 46 0.032 4.852 4.857 1.00 31.20 H new ATOM 0 HA ILE A 46 2.741 5.905 4.343 1.00 43.11 H new ATOM 0 HB ILE A 46 0.182 6.257 2.712 1.00 44.01 H new ATOM 0 HG12 ILE A 46 2.646 4.548 2.184 1.00 74.25 H new ATOM 0 HG13 ILE A 46 1.053 3.950 2.606 1.00 74.25 H new ATOM 0 HG21 ILE A 46 1.670 7.259 1.010 1.00 33.21 H new ATOM 0 HG22 ILE A 46 1.689 8.187 2.529 1.00 33.21 H new ATOM 0 HG23 ILE A 46 3.045 7.106 2.129 1.00 33.21 H new ATOM 0 HD11 ILE A 46 1.461 3.738 0.202 1.00 63.34 H new ATOM 0 HD12 ILE A 46 0.134 4.882 0.511 1.00 63.34 H new ATOM 0 HD13 ILE A 46 1.750 5.490 0.083 1.00 63.34 H new ATOM 758 N THR A 47 2.288 8.218 5.198 1.00 41.53 N ATOM 759 CA THR A 47 2.071 9.535 5.819 1.00 24.11 C ATOM 760 C THR A 47 2.593 10.671 4.928 1.00 42.34 C ATOM 761 O THR A 47 3.642 10.544 4.291 1.00 25.04 O ATOM 762 CB THR A 47 2.757 9.628 7.211 1.00 60.01 C ATOM 763 OG1 THR A 47 2.109 8.744 8.140 1.00 12.44 O ATOM 764 CG2 THR A 47 2.726 11.050 7.768 1.00 63.04 C ATOM 0 H THR A 47 3.265 8.007 4.996 1.00 41.53 H new ATOM 0 HA THR A 47 0.994 9.645 5.943 1.00 24.11 H new ATOM 0 HB THR A 47 3.799 9.336 7.079 1.00 60.01 H new ATOM 0 HG1 THR A 47 1.436 9.241 8.649 1.00 12.44 H new ATOM 0 HG21 THR A 47 3.216 11.070 8.742 1.00 63.04 H new ATOM 0 HG22 THR A 47 3.249 11.720 7.085 1.00 63.04 H new ATOM 0 HG23 THR A 47 1.692 11.376 7.875 1.00 63.04 H new ATOM 772 N GLY A 48 1.850 11.777 4.885 1.00 33.13 N ATOM 773 CA GLY A 48 2.277 12.949 4.120 1.00 51.11 C ATOM 774 C GLY A 48 1.845 12.914 2.658 1.00 51.14 C ATOM 775 O GLY A 48 2.640 13.194 1.762 1.00 44.23 O ATOM 0 H GLY A 48 0.957 11.886 5.366 1.00 33.13 H new ATOM 0 HA2 GLY A 48 1.872 13.846 4.589 1.00 51.11 H new ATOM 0 HA3 GLY A 48 3.363 13.028 4.168 1.00 51.11 H new ATOM 779 N VAL A 49 0.579 12.572 2.413 1.00 43.52 N ATOM 780 CA VAL A 49 0.035 12.540 1.050 1.00 10.24 C ATOM 781 C VAL A 49 -1.231 13.408 0.926 1.00 61.34 C ATOM 782 O VAL A 49 -2.072 13.436 1.830 1.00 63.00 O ATOM 783 CB VAL A 49 -0.288 11.090 0.596 1.00 20.23 C ATOM 784 CG1 VAL A 49 0.990 10.264 0.490 1.00 70.55 C ATOM 785 CG2 VAL A 49 -1.288 10.420 1.544 1.00 42.32 C ATOM 0 H VAL A 49 -0.090 12.313 3.138 1.00 43.52 H new ATOM 0 HA VAL A 49 0.808 12.948 0.399 1.00 10.24 H new ATOM 0 HB VAL A 49 -0.749 11.143 -0.390 1.00 20.23 H new ATOM 0 HG11 VAL A 49 0.743 9.251 0.171 1.00 70.55 H new ATOM 0 HG12 VAL A 49 1.659 10.721 -0.239 1.00 70.55 H new ATOM 0 HG13 VAL A 49 1.482 10.228 1.462 1.00 70.55 H new ATOM 0 HG21 VAL A 49 -1.493 9.407 1.199 1.00 42.32 H new ATOM 0 HG22 VAL A 49 -0.868 10.383 2.549 1.00 42.32 H new ATOM 0 HG23 VAL A 49 -2.215 10.993 1.559 1.00 42.32 H new ATOM 795 N PRO A 50 -1.373 14.154 -0.189 1.00 73.35 N ATOM 796 CA PRO A 50 -2.572 14.962 -0.460 1.00 44.52 C ATOM 797 C PRO A 50 -3.736 14.137 -1.044 1.00 61.14 C ATOM 798 O PRO A 50 -3.561 12.986 -1.452 1.00 2.12 O ATOM 799 CB PRO A 50 -2.061 15.980 -1.484 1.00 51.12 C ATOM 800 CG PRO A 50 -1.001 15.250 -2.240 1.00 72.35 C ATOM 801 CD PRO A 50 -0.361 14.294 -1.259 1.00 42.25 C ATOM 0 HA PRO A 50 -2.986 15.403 0.447 1.00 44.52 H new ATOM 0 HB2 PRO A 50 -2.861 16.314 -2.145 1.00 51.12 H new ATOM 0 HB3 PRO A 50 -1.660 16.868 -0.995 1.00 51.12 H new ATOM 0 HG2 PRO A 50 -1.428 14.711 -3.086 1.00 72.35 H new ATOM 0 HG3 PRO A 50 -0.264 15.944 -2.644 1.00 72.35 H new ATOM 0 HD2 PRO A 50 -0.136 13.334 -1.725 1.00 42.25 H new ATOM 0 HD3 PRO A 50 0.578 14.688 -0.872 1.00 42.25 H new ATOM 809 N GLU A 51 -4.921 14.748 -1.099 1.00 34.03 N ATOM 810 CA GLU A 51 -6.134 14.076 -1.594 1.00 51.04 C ATOM 811 C GLU A 51 -5.955 13.502 -3.016 1.00 2.51 C ATOM 812 O GLU A 51 -6.271 12.335 -3.266 1.00 11.40 O ATOM 813 CB GLU A 51 -7.322 15.052 -1.556 1.00 71.30 C ATOM 814 CG GLU A 51 -7.096 16.333 -2.353 1.00 23.33 C ATOM 815 CD GLU A 51 -8.259 17.311 -2.264 1.00 41.22 C ATOM 816 OE1 GLU A 51 -9.268 17.109 -2.970 1.00 54.31 O ATOM 817 OE2 GLU A 51 -8.161 18.298 -1.499 1.00 61.43 O ATOM 0 H GLU A 51 -5.071 15.713 -0.806 1.00 34.03 H new ATOM 0 HA GLU A 51 -6.331 13.230 -0.935 1.00 51.04 H new ATOM 0 HB2 GLU A 51 -8.207 14.547 -1.943 1.00 71.30 H new ATOM 0 HB3 GLU A 51 -7.532 15.313 -0.519 1.00 71.30 H new ATOM 0 HG2 GLU A 51 -6.191 16.822 -1.993 1.00 23.33 H new ATOM 0 HG3 GLU A 51 -6.925 16.077 -3.399 1.00 23.33 H new ATOM 824 N GLN A 52 -5.431 14.316 -3.935 1.00 24.11 N ATOM 825 CA GLN A 52 -5.274 13.910 -5.340 1.00 61.11 C ATOM 826 C GLN A 52 -4.375 12.670 -5.495 1.00 24.43 C ATOM 827 O GLN A 52 -4.682 11.761 -6.271 1.00 61.44 O ATOM 828 CB GLN A 52 -4.713 15.075 -6.174 1.00 1.25 C ATOM 829 CG GLN A 52 -3.338 15.569 -5.722 1.00 52.41 C ATOM 830 CD GLN A 52 -2.824 16.738 -6.553 1.00 71.25 C ATOM 831 OE1 GLN A 52 -3.595 17.537 -7.073 1.00 42.31 O ATOM 832 NE2 GLN A 52 -1.518 16.852 -6.678 1.00 63.11 N ATOM 0 H GLN A 52 -5.107 15.262 -3.735 1.00 24.11 H new ATOM 0 HA GLN A 52 -6.265 13.642 -5.708 1.00 61.11 H new ATOM 0 HB2 GLN A 52 -4.649 14.762 -7.216 1.00 1.25 H new ATOM 0 HB3 GLN A 52 -5.416 15.907 -6.133 1.00 1.25 H new ATOM 0 HG2 GLN A 52 -3.392 15.870 -4.676 1.00 52.41 H new ATOM 0 HG3 GLN A 52 -2.625 14.747 -5.781 1.00 52.41 H new ATOM 0 HE21 GLN A 52 -0.902 16.171 -6.234 1.00 63.11 H new ATOM 0 HE22 GLN A 52 -1.123 17.621 -7.219 1.00 63.11 H new ATOM 841 N VAL A 53 -3.275 12.633 -4.753 1.00 52.14 N ATOM 842 CA VAL A 53 -2.311 11.533 -4.856 1.00 41.23 C ATOM 843 C VAL A 53 -2.814 10.274 -4.133 1.00 50.53 C ATOM 844 O VAL A 53 -2.519 9.152 -4.546 1.00 74.35 O ATOM 845 CB VAL A 53 -0.927 11.952 -4.297 1.00 33.13 C ATOM 846 CG1 VAL A 53 0.077 10.800 -4.374 1.00 21.31 C ATOM 847 CG2 VAL A 53 -0.405 13.177 -5.044 1.00 72.54 C ATOM 0 H VAL A 53 -3.024 13.350 -4.072 1.00 52.14 H new ATOM 0 HA VAL A 53 -2.203 11.297 -5.915 1.00 41.23 H new ATOM 0 HB VAL A 53 -1.050 12.210 -3.245 1.00 33.13 H new ATOM 0 HG11 VAL A 53 1.037 11.127 -3.974 1.00 21.31 H new ATOM 0 HG12 VAL A 53 -0.291 9.957 -3.790 1.00 21.31 H new ATOM 0 HG13 VAL A 53 0.202 10.495 -5.413 1.00 21.31 H new ATOM 0 HG21 VAL A 53 0.567 13.461 -4.642 1.00 72.54 H new ATOM 0 HG22 VAL A 53 -0.305 12.942 -6.104 1.00 72.54 H new ATOM 0 HG23 VAL A 53 -1.104 14.004 -4.920 1.00 72.54 H new ATOM 857 N ARG A 54 -3.594 10.467 -3.069 1.00 33.40 N ATOM 858 CA ARG A 54 -4.172 9.347 -2.312 1.00 73.35 C ATOM 859 C ARG A 54 -4.987 8.427 -3.243 1.00 75.32 C ATOM 860 O ARG A 54 -4.860 7.202 -3.185 1.00 34.54 O ATOM 861 CB ARG A 54 -5.050 9.891 -1.166 1.00 40.01 C ATOM 862 CG ARG A 54 -5.402 8.874 -0.070 1.00 71.45 C ATOM 863 CD ARG A 54 -6.407 7.824 -0.534 1.00 50.42 C ATOM 864 NE ARG A 54 -7.622 8.429 -1.078 1.00 54.20 N ATOM 865 CZ ARG A 54 -8.538 7.775 -1.739 1.00 73.51 C ATOM 866 NH1 ARG A 54 -8.420 6.505 -1.948 1.00 64.05 N ATOM 867 NH2 ARG A 54 -9.570 8.400 -2.192 1.00 13.12 N ATOM 0 H ARG A 54 -3.843 11.388 -2.708 1.00 33.40 H new ATOM 0 HA ARG A 54 -3.365 8.754 -1.881 1.00 73.35 H new ATOM 0 HB2 ARG A 54 -4.535 10.734 -0.705 1.00 40.01 H new ATOM 0 HB3 ARG A 54 -5.976 10.277 -1.592 1.00 40.01 H new ATOM 0 HG2 ARG A 54 -4.491 8.376 0.262 1.00 71.45 H new ATOM 0 HG3 ARG A 54 -5.809 9.403 0.792 1.00 71.45 H new ATOM 0 HD2 ARG A 54 -5.946 7.192 -1.293 1.00 50.42 H new ATOM 0 HD3 ARG A 54 -6.668 7.177 0.304 1.00 50.42 H new ATOM 0 HE ARG A 54 -7.763 9.428 -0.931 1.00 54.20 H new ATOM 0 HH11 ARG A 54 -7.605 6.004 -1.595 1.00 64.05 H new ATOM 0 HH12 ARG A 54 -9.142 6.004 -2.466 1.00 64.05 H new ATOM 0 HH21 ARG A 54 -9.669 9.403 -2.034 1.00 13.12 H new ATOM 0 HH22 ARG A 54 -10.288 7.892 -2.709 1.00 13.12 H new ATOM 881 N LYS A 55 -5.824 9.025 -4.095 1.00 62.14 N ATOM 882 CA LYS A 55 -6.604 8.258 -5.081 1.00 15.54 C ATOM 883 C LYS A 55 -5.688 7.424 -5.991 1.00 4.40 C ATOM 884 O LYS A 55 -5.968 6.255 -6.277 1.00 71.21 O ATOM 885 CB LYS A 55 -7.461 9.197 -5.942 1.00 23.13 C ATOM 886 CG LYS A 55 -8.563 9.918 -5.172 1.00 64.42 C ATOM 887 CD LYS A 55 -9.433 10.765 -6.098 1.00 51.33 C ATOM 888 CE LYS A 55 -10.108 9.917 -7.170 1.00 2.24 C ATOM 889 NZ LYS A 55 -10.925 10.740 -8.100 1.00 54.13 N ATOM 0 H LYS A 55 -5.981 10.032 -4.125 1.00 62.14 H new ATOM 0 HA LYS A 55 -7.255 7.582 -4.527 1.00 15.54 H new ATOM 0 HB2 LYS A 55 -6.812 9.939 -6.407 1.00 23.13 H new ATOM 0 HB3 LYS A 55 -7.914 8.620 -6.748 1.00 23.13 H new ATOM 0 HG2 LYS A 55 -9.185 9.187 -4.655 1.00 64.42 H new ATOM 0 HG3 LYS A 55 -8.117 10.554 -4.408 1.00 64.42 H new ATOM 0 HD2 LYS A 55 -10.192 11.282 -5.511 1.00 51.33 H new ATOM 0 HD3 LYS A 55 -8.820 11.531 -6.573 1.00 51.33 H new ATOM 0 HE2 LYS A 55 -9.349 9.377 -7.736 1.00 2.24 H new ATOM 0 HE3 LYS A 55 -10.743 9.170 -6.694 1.00 2.24 H new ATOM 0 HZ1 LYS A 55 -11.366 10.124 -8.813 1.00 54.13 H new ATOM 0 HZ2 LYS A 55 -11.666 11.236 -7.565 1.00 54.13 H new ATOM 0 HZ3 LYS A 55 -10.315 11.437 -8.574 1.00 54.13 H new ATOM 903 N GLU A 56 -4.593 8.032 -6.440 1.00 74.22 N ATOM 904 CA GLU A 56 -3.622 7.357 -7.305 1.00 15.24 C ATOM 905 C GLU A 56 -2.952 6.178 -6.579 1.00 33.35 C ATOM 906 O GLU A 56 -2.753 5.106 -7.155 1.00 14.24 O ATOM 907 CB GLU A 56 -2.566 8.362 -7.795 1.00 44.11 C ATOM 908 CG GLU A 56 -3.158 9.537 -8.571 1.00 73.52 C ATOM 909 CD GLU A 56 -2.109 10.511 -9.093 1.00 12.23 C ATOM 910 OE1 GLU A 56 -1.296 10.109 -9.951 1.00 73.13 O ATOM 911 OE2 GLU A 56 -2.103 11.686 -8.663 1.00 60.54 O ATOM 0 H GLU A 56 -4.353 8.998 -6.218 1.00 74.22 H new ATOM 0 HA GLU A 56 -4.154 6.954 -8.167 1.00 15.24 H new ATOM 0 HB2 GLU A 56 -2.014 8.745 -6.937 1.00 44.11 H new ATOM 0 HB3 GLU A 56 -1.848 7.842 -8.430 1.00 44.11 H new ATOM 0 HG2 GLU A 56 -3.736 9.153 -9.412 1.00 73.52 H new ATOM 0 HG3 GLU A 56 -3.853 10.075 -7.926 1.00 73.52 H new ATOM 918 N LEU A 57 -2.627 6.376 -5.302 1.00 30.30 N ATOM 919 CA LEU A 57 -2.047 5.311 -4.475 1.00 54.33 C ATOM 920 C LEU A 57 -3.037 4.145 -4.295 1.00 30.03 C ATOM 921 O LEU A 57 -2.654 2.976 -4.366 1.00 20.51 O ATOM 922 CB LEU A 57 -1.626 5.870 -3.107 1.00 62.02 C ATOM 923 CG LEU A 57 -0.529 6.947 -3.153 1.00 31.22 C ATOM 924 CD1 LEU A 57 -0.220 7.464 -1.753 1.00 2.20 C ATOM 925 CD2 LEU A 57 0.734 6.407 -3.821 1.00 2.51 C ATOM 0 H LEU A 57 -2.754 7.263 -4.815 1.00 30.30 H new ATOM 0 HA LEU A 57 -1.165 4.927 -4.987 1.00 54.33 H new ATOM 0 HB2 LEU A 57 -2.505 6.289 -2.617 1.00 62.02 H new ATOM 0 HB3 LEU A 57 -1.278 5.045 -2.486 1.00 62.02 H new ATOM 0 HG LEU A 57 -0.898 7.781 -3.750 1.00 31.22 H new ATOM 0 HD11 LEU A 57 0.559 8.225 -1.810 1.00 2.20 H new ATOM 0 HD12 LEU A 57 -1.120 7.898 -1.318 1.00 2.20 H new ATOM 0 HD13 LEU A 57 0.123 6.639 -1.128 1.00 2.20 H new ATOM 0 HD21 LEU A 57 1.496 7.186 -3.842 1.00 2.51 H new ATOM 0 HD22 LEU A 57 1.106 5.551 -3.258 1.00 2.51 H new ATOM 0 HD23 LEU A 57 0.503 6.098 -4.840 1.00 2.51 H new ATOM 937 N ALA A 58 -4.311 4.473 -4.071 1.00 15.04 N ATOM 938 CA ALA A 58 -5.370 3.458 -3.962 1.00 2.42 C ATOM 939 C ALA A 58 -5.532 2.680 -5.277 1.00 45.33 C ATOM 940 O ALA A 58 -5.599 1.449 -5.285 1.00 71.13 O ATOM 941 CB ALA A 58 -6.691 4.112 -3.567 1.00 71.42 C ATOM 0 H ALA A 58 -4.638 5.433 -3.961 1.00 15.04 H new ATOM 0 HA ALA A 58 -5.080 2.750 -3.186 1.00 2.42 H new ATOM 0 HB1 ALA A 58 -7.466 3.349 -3.490 1.00 71.42 H new ATOM 0 HB2 ALA A 58 -6.576 4.611 -2.605 1.00 71.42 H new ATOM 0 HB3 ALA A 58 -6.976 4.843 -4.324 1.00 71.42 H new ATOM 947 N LYS A 59 -5.571 3.420 -6.386 1.00 64.22 N ATOM 948 CA LYS A 59 -5.672 2.834 -7.729 1.00 32.31 C ATOM 949 C LYS A 59 -4.536 1.828 -7.979 1.00 50.53 C ATOM 950 O LYS A 59 -4.730 0.790 -8.616 1.00 41.05 O ATOM 951 CB LYS A 59 -5.620 3.950 -8.785 1.00 10.12 C ATOM 952 CG LYS A 59 -5.721 3.455 -10.225 1.00 24.51 C ATOM 953 CD LYS A 59 -5.508 4.586 -11.226 1.00 12.24 C ATOM 954 CE LYS A 59 -4.122 5.212 -11.091 1.00 3.34 C ATOM 955 NZ LYS A 59 -3.903 6.294 -12.084 1.00 15.23 N ATOM 0 H LYS A 59 -5.534 4.439 -6.382 1.00 64.22 H new ATOM 0 HA LYS A 59 -6.621 2.303 -7.802 1.00 32.31 H new ATOM 0 HB2 LYS A 59 -6.433 4.651 -8.596 1.00 10.12 H new ATOM 0 HB3 LYS A 59 -4.688 4.503 -8.667 1.00 10.12 H new ATOM 0 HG2 LYS A 59 -4.979 2.674 -10.394 1.00 24.51 H new ATOM 0 HG3 LYS A 59 -6.700 3.005 -10.387 1.00 24.51 H new ATOM 0 HD2 LYS A 59 -5.637 4.204 -12.239 1.00 12.24 H new ATOM 0 HD3 LYS A 59 -6.269 5.352 -11.076 1.00 12.24 H new ATOM 0 HE2 LYS A 59 -4.002 5.613 -10.085 1.00 3.34 H new ATOM 0 HE3 LYS A 59 -3.362 4.442 -11.220 1.00 3.34 H new ATOM 0 HZ1 LYS A 59 -2.951 6.693 -11.959 1.00 15.23 H new ATOM 0 HZ2 LYS A 59 -3.993 5.907 -13.045 1.00 15.23 H new ATOM 0 HZ3 LYS A 59 -4.612 7.042 -11.945 1.00 15.23 H new ATOM 969 N GLU A 60 -3.348 2.155 -7.482 1.00 40.32 N ATOM 970 CA GLU A 60 -2.193 1.259 -7.578 1.00 0.32 C ATOM 971 C GLU A 60 -2.373 0.032 -6.662 1.00 10.32 C ATOM 972 O GLU A 60 -2.271 -1.113 -7.109 1.00 21.10 O ATOM 973 CB GLU A 60 -0.911 2.024 -7.202 1.00 54.10 C ATOM 974 CG GLU A 60 0.388 1.260 -7.466 1.00 11.50 C ATOM 975 CD GLU A 60 0.669 1.055 -8.950 1.00 71.33 C ATOM 976 OE1 GLU A 60 1.280 1.952 -9.575 1.00 24.30 O ATOM 977 OE2 GLU A 60 0.272 0.006 -9.500 1.00 1.34 O ATOM 0 H GLU A 60 -3.156 3.037 -7.006 1.00 40.32 H new ATOM 0 HA GLU A 60 -2.111 0.904 -8.605 1.00 0.32 H new ATOM 0 HB2 GLU A 60 -0.886 2.960 -7.759 1.00 54.10 H new ATOM 0 HB3 GLU A 60 -0.956 2.284 -6.144 1.00 54.10 H new ATOM 0 HG2 GLU A 60 1.220 1.802 -7.016 1.00 11.50 H new ATOM 0 HG3 GLU A 60 0.338 0.289 -6.974 1.00 11.50 H new ATOM 984 N ALA A 61 -2.673 0.291 -5.385 1.00 63.13 N ATOM 985 CA ALA A 61 -2.801 -0.760 -4.360 1.00 72.44 C ATOM 986 C ALA A 61 -3.763 -1.885 -4.778 1.00 0.22 C ATOM 987 O ALA A 61 -3.410 -3.067 -4.721 1.00 3.33 O ATOM 988 CB ALA A 61 -3.252 -0.148 -3.036 1.00 0.15 C ATOM 0 H ALA A 61 -2.835 1.233 -5.029 1.00 63.13 H new ATOM 0 HA ALA A 61 -1.816 -1.212 -4.242 1.00 72.44 H new ATOM 0 HB1 ALA A 61 -3.344 -0.933 -2.285 1.00 0.15 H new ATOM 0 HB2 ALA A 61 -2.517 0.586 -2.706 1.00 0.15 H new ATOM 0 HB3 ALA A 61 -4.217 0.340 -3.171 1.00 0.15 H new ATOM 994 N GLU A 62 -4.974 -1.517 -5.200 1.00 50.33 N ATOM 995 CA GLU A 62 -5.988 -2.504 -5.606 1.00 44.23 C ATOM 996 C GLU A 62 -5.472 -3.405 -6.741 1.00 22.14 C ATOM 997 O GLU A 62 -5.761 -4.603 -6.781 1.00 22.53 O ATOM 998 CB GLU A 62 -7.281 -1.800 -6.039 1.00 31.10 C ATOM 999 CG GLU A 62 -7.891 -0.910 -4.957 1.00 30.13 C ATOM 1000 CD GLU A 62 -9.192 -0.257 -5.397 1.00 75.43 C ATOM 1001 OE1 GLU A 62 -9.188 0.456 -6.425 1.00 0.23 O ATOM 1002 OE2 GLU A 62 -10.227 -0.446 -4.721 1.00 14.13 O ATOM 0 H GLU A 62 -5.280 -0.547 -5.271 1.00 50.33 H new ATOM 0 HA GLU A 62 -6.199 -3.135 -4.742 1.00 44.23 H new ATOM 0 HB2 GLU A 62 -7.076 -1.194 -6.922 1.00 31.10 H new ATOM 0 HB3 GLU A 62 -8.013 -2.553 -6.332 1.00 31.10 H new ATOM 0 HG2 GLU A 62 -8.073 -1.506 -4.063 1.00 30.13 H new ATOM 0 HG3 GLU A 62 -7.175 -0.135 -4.684 1.00 30.13 H new ATOM 1009 N ARG A 63 -4.702 -2.820 -7.656 1.00 44.42 N ATOM 1010 CA ARG A 63 -4.085 -3.573 -8.754 1.00 62.13 C ATOM 1011 C ARG A 63 -2.933 -4.465 -8.247 1.00 31.43 C ATOM 1012 O ARG A 63 -2.763 -5.598 -8.707 1.00 33.55 O ATOM 1013 CB ARG A 63 -3.598 -2.596 -9.846 1.00 51.43 C ATOM 1014 CG ARG A 63 -2.549 -3.168 -10.807 1.00 52.14 C ATOM 1015 CD ARG A 63 -1.125 -2.873 -10.330 1.00 12.14 C ATOM 1016 NE ARG A 63 -0.115 -3.626 -11.068 1.00 13.34 N ATOM 1017 CZ ARG A 63 1.133 -3.257 -11.175 1.00 23.51 C ATOM 1018 NH1 ARG A 63 1.538 -2.131 -10.682 1.00 2.13 N ATOM 1019 NH2 ARG A 63 1.981 -4.020 -11.777 1.00 14.32 N ATOM 0 H ARG A 63 -4.488 -1.823 -7.661 1.00 44.42 H new ATOM 0 HA ARG A 63 -4.835 -4.236 -9.186 1.00 62.13 H new ATOM 0 HB2 ARG A 63 -4.459 -2.266 -10.427 1.00 51.43 H new ATOM 0 HB3 ARG A 63 -3.182 -1.712 -9.362 1.00 51.43 H new ATOM 0 HG2 ARG A 63 -2.687 -4.245 -10.897 1.00 52.14 H new ATOM 0 HG3 ARG A 63 -2.695 -2.744 -11.800 1.00 52.14 H new ATOM 0 HD2 ARG A 63 -0.925 -1.807 -10.434 1.00 12.14 H new ATOM 0 HD3 ARG A 63 -1.045 -3.110 -9.269 1.00 12.14 H new ATOM 0 HE ARG A 63 -0.401 -4.491 -11.527 1.00 13.34 H new ATOM 0 HH11 ARG A 63 0.879 -1.518 -10.202 1.00 2.13 H new ATOM 0 HH12 ARG A 63 2.516 -1.857 -10.774 1.00 2.13 H new ATOM 0 HH21 ARG A 63 1.677 -4.911 -12.169 1.00 14.32 H new ATOM 0 HH22 ARG A 63 2.956 -3.732 -11.861 1.00 14.32 H new ATOM 1033 N LEU A 64 -2.146 -3.945 -7.303 1.00 40.51 N ATOM 1034 CA LEU A 64 -1.018 -4.692 -6.726 1.00 22.04 C ATOM 1035 C LEU A 64 -1.486 -6.026 -6.122 1.00 3.34 C ATOM 1036 O LEU A 64 -0.873 -7.072 -6.342 1.00 41.05 O ATOM 1037 CB LEU A 64 -0.315 -3.844 -5.656 1.00 13.24 C ATOM 1038 CG LEU A 64 0.326 -2.542 -6.166 1.00 30.02 C ATOM 1039 CD1 LEU A 64 0.844 -1.698 -5.002 1.00 12.34 C ATOM 1040 CD2 LEU A 64 1.449 -2.849 -7.154 1.00 52.52 C ATOM 0 H LEU A 64 -2.267 -3.008 -6.919 1.00 40.51 H new ATOM 0 HA LEU A 64 -0.313 -4.913 -7.527 1.00 22.04 H new ATOM 0 HB2 LEU A 64 -1.039 -3.594 -4.881 1.00 13.24 H new ATOM 0 HB3 LEU A 64 0.459 -4.451 -5.186 1.00 13.24 H new ATOM 0 HG LEU A 64 -0.440 -1.966 -6.685 1.00 30.02 H new ATOM 0 HD11 LEU A 64 1.293 -0.783 -5.388 1.00 12.34 H new ATOM 0 HD12 LEU A 64 0.016 -1.445 -4.339 1.00 12.34 H new ATOM 0 HD13 LEU A 64 1.593 -2.264 -4.448 1.00 12.34 H new ATOM 0 HD21 LEU A 64 1.891 -1.916 -7.504 1.00 52.52 H new ATOM 0 HD22 LEU A 64 2.213 -3.450 -6.661 1.00 52.52 H new ATOM 0 HD23 LEU A 64 1.046 -3.401 -8.003 1.00 52.52 H new ATOM 1052 N ALA A 65 -2.579 -5.976 -5.368 1.00 51.50 N ATOM 1053 CA ALA A 65 -3.172 -7.179 -4.783 1.00 21.14 C ATOM 1054 C ALA A 65 -3.685 -8.139 -5.869 1.00 54.12 C ATOM 1055 O ALA A 65 -3.361 -9.330 -5.867 1.00 15.25 O ATOM 1056 CB ALA A 65 -4.302 -6.796 -3.840 1.00 54.51 C ATOM 0 H ALA A 65 -3.076 -5.113 -5.146 1.00 51.50 H new ATOM 0 HA ALA A 65 -2.396 -7.699 -4.221 1.00 21.14 H new ATOM 0 HB1 ALA A 65 -4.738 -7.697 -3.409 1.00 54.51 H new ATOM 0 HB2 ALA A 65 -3.912 -6.164 -3.042 1.00 54.51 H new ATOM 0 HB3 ALA A 65 -5.068 -6.251 -4.392 1.00 54.51 H new ATOM 1062 N LYS A 66 -4.477 -7.604 -6.799 1.00 53.44 N ATOM 1063 CA LYS A 66 -5.018 -8.387 -7.919 1.00 41.44 C ATOM 1064 C LYS A 66 -3.919 -9.147 -8.681 1.00 14.40 C ATOM 1065 O LYS A 66 -4.081 -10.325 -9.004 1.00 21.14 O ATOM 1066 CB LYS A 66 -5.777 -7.466 -8.890 1.00 44.23 C ATOM 1067 CG LYS A 66 -7.167 -7.056 -8.407 1.00 74.24 C ATOM 1068 CD LYS A 66 -8.163 -8.218 -8.457 1.00 5.15 C ATOM 1069 CE LYS A 66 -8.687 -8.484 -9.873 1.00 23.43 C ATOM 1070 NZ LYS A 66 -7.606 -8.813 -10.849 1.00 12.25 N ATOM 0 H LYS A 66 -4.762 -6.625 -6.801 1.00 53.44 H new ATOM 0 HA LYS A 66 -5.700 -9.125 -7.497 1.00 41.44 H new ATOM 0 HB2 LYS A 66 -5.184 -6.567 -9.059 1.00 44.23 H new ATOM 0 HB3 LYS A 66 -5.873 -7.970 -9.851 1.00 44.23 H new ATOM 0 HG2 LYS A 66 -7.099 -6.682 -7.386 1.00 74.24 H new ATOM 0 HG3 LYS A 66 -7.537 -6.236 -9.023 1.00 74.24 H new ATOM 0 HD2 LYS A 66 -7.683 -9.119 -8.076 1.00 5.15 H new ATOM 0 HD3 LYS A 66 -9.003 -8.000 -7.797 1.00 5.15 H new ATOM 0 HE2 LYS A 66 -9.401 -9.307 -9.840 1.00 23.43 H new ATOM 0 HE3 LYS A 66 -9.229 -7.606 -10.224 1.00 23.43 H new ATOM 0 HZ1 LYS A 66 -8.023 -9.256 -11.692 1.00 12.25 H new ATOM 0 HZ2 LYS A 66 -7.110 -7.941 -11.125 1.00 12.25 H new ATOM 0 HZ3 LYS A 66 -6.931 -9.471 -10.410 1.00 12.25 H new ATOM 1084 N GLU A 67 -2.804 -8.474 -8.954 1.00 51.32 N ATOM 1085 CA GLU A 67 -1.708 -9.062 -9.737 1.00 1.24 C ATOM 1086 C GLU A 67 -1.098 -10.299 -9.045 1.00 73.12 C ATOM 1087 O GLU A 67 -0.508 -11.163 -9.701 1.00 1.11 O ATOM 1088 CB GLU A 67 -0.624 -8.004 -9.996 1.00 13.23 C ATOM 1089 CG GLU A 67 0.461 -8.453 -10.973 1.00 75.21 C ATOM 1090 CD GLU A 67 1.411 -7.329 -11.347 1.00 62.03 C ATOM 1091 OE1 GLU A 67 1.120 -6.597 -12.322 1.00 41.54 O ATOM 1092 OE2 GLU A 67 2.447 -7.168 -10.674 1.00 41.11 O ATOM 0 H GLU A 67 -2.631 -7.517 -8.646 1.00 51.32 H new ATOM 0 HA GLU A 67 -2.123 -9.398 -10.687 1.00 1.24 H new ATOM 0 HB2 GLU A 67 -1.097 -7.102 -10.384 1.00 13.23 H new ATOM 0 HB3 GLU A 67 -0.157 -7.737 -9.048 1.00 13.23 H new ATOM 0 HG2 GLU A 67 1.029 -9.271 -10.529 1.00 75.21 H new ATOM 0 HG3 GLU A 67 -0.008 -8.843 -11.876 1.00 75.21 H new ATOM 1099 N PHE A 68 -1.235 -10.379 -7.723 1.00 55.24 N ATOM 1100 CA PHE A 68 -0.760 -11.545 -6.961 1.00 53.11 C ATOM 1101 C PHE A 68 -1.925 -12.315 -6.310 1.00 14.31 C ATOM 1102 O PHE A 68 -1.710 -13.198 -5.479 1.00 1.41 O ATOM 1103 CB PHE A 68 0.256 -11.095 -5.904 1.00 10.45 C ATOM 1104 CG PHE A 68 1.493 -10.480 -6.511 1.00 33.23 C ATOM 1105 CD1 PHE A 68 2.557 -11.277 -6.910 1.00 32.04 C ATOM 1106 CD2 PHE A 68 1.586 -9.105 -6.699 1.00 2.00 C ATOM 1107 CE1 PHE A 68 3.681 -10.720 -7.482 1.00 41.35 C ATOM 1108 CE2 PHE A 68 2.712 -8.544 -7.270 1.00 43.13 C ATOM 1109 CZ PHE A 68 3.760 -9.353 -7.662 1.00 53.11 C ATOM 0 H PHE A 68 -1.670 -9.654 -7.153 1.00 55.24 H new ATOM 0 HA PHE A 68 -0.273 -12.230 -7.655 1.00 53.11 H new ATOM 0 HB2 PHE A 68 -0.215 -10.372 -5.238 1.00 10.45 H new ATOM 0 HB3 PHE A 68 0.543 -11.951 -5.294 1.00 10.45 H new ATOM 0 HD1 PHE A 68 2.504 -12.347 -6.771 1.00 32.04 H new ATOM 0 HD2 PHE A 68 0.768 -8.468 -6.395 1.00 2.00 H new ATOM 0 HE1 PHE A 68 4.500 -11.353 -7.789 1.00 41.35 H new ATOM 0 HE2 PHE A 68 2.772 -7.475 -7.409 1.00 43.13 H new ATOM 0 HZ PHE A 68 4.641 -8.917 -8.109 1.00 53.11 H new ATOM 1119 N ASN A 69 -3.156 -11.968 -6.701 1.00 64.15 N ATOM 1120 CA ASN A 69 -4.371 -12.653 -6.219 1.00 1.52 C ATOM 1121 C ASN A 69 -4.567 -12.530 -4.696 1.00 64.53 C ATOM 1122 O ASN A 69 -5.370 -13.261 -4.110 1.00 63.24 O ATOM 1123 CB ASN A 69 -4.338 -14.132 -6.619 1.00 4.23 C ATOM 1124 CG ASN A 69 -4.411 -14.324 -8.117 1.00 32.25 C ATOM 1125 OD1 ASN A 69 -3.396 -14.356 -8.807 1.00 11.42 O ATOM 1126 ND2 ASN A 69 -5.613 -14.455 -8.637 1.00 22.34 N ATOM 0 H ASN A 69 -3.343 -11.209 -7.357 1.00 64.15 H new ATOM 0 HA ASN A 69 -5.218 -12.156 -6.692 1.00 1.52 H new ATOM 0 HB2 ASN A 69 -3.423 -14.588 -6.241 1.00 4.23 H new ATOM 0 HB3 ASN A 69 -5.172 -14.652 -6.147 1.00 4.23 H new ATOM 0 HD21 ASN A 69 -5.722 -14.588 -9.642 1.00 22.34 H new ATOM 0 HD22 ASN A 69 -6.435 -14.424 -8.035 1.00 22.34 H new ATOM 1133 N ILE A 70 -3.862 -11.596 -4.067 1.00 44.52 N ATOM 1134 CA ILE A 70 -3.926 -11.431 -2.611 1.00 73.10 C ATOM 1135 C ILE A 70 -4.997 -10.404 -2.194 1.00 64.45 C ATOM 1136 O ILE A 70 -5.509 -9.646 -3.021 1.00 15.14 O ATOM 1137 CB ILE A 70 -2.545 -11.018 -2.030 1.00 51.40 C ATOM 1138 CG1 ILE A 70 -2.101 -9.658 -2.589 1.00 61.55 C ATOM 1139 CG2 ILE A 70 -1.497 -12.092 -2.332 1.00 30.32 C ATOM 1140 CD1 ILE A 70 -0.760 -9.182 -2.066 1.00 52.23 C ATOM 0 H ILE A 70 -3.239 -10.940 -4.538 1.00 44.52 H new ATOM 0 HA ILE A 70 -4.207 -12.400 -2.199 1.00 73.10 H new ATOM 0 HB ILE A 70 -2.643 -10.923 -0.949 1.00 51.40 H new ATOM 0 HG12 ILE A 70 -2.053 -9.722 -3.676 1.00 61.55 H new ATOM 0 HG13 ILE A 70 -2.859 -8.913 -2.347 1.00 61.55 H new ATOM 0 HG21 ILE A 70 -0.535 -11.788 -1.919 1.00 30.32 H new ATOM 0 HG22 ILE A 70 -1.803 -13.036 -1.882 1.00 30.32 H new ATOM 0 HG23 ILE A 70 -1.405 -12.217 -3.411 1.00 30.32 H new ATOM 0 HD11 ILE A 70 -0.519 -8.215 -2.509 1.00 52.23 H new ATOM 0 HD12 ILE A 70 -0.807 -9.083 -0.982 1.00 52.23 H new ATOM 0 HD13 ILE A 70 0.011 -9.905 -2.331 1.00 52.23 H new ATOM 1152 N THR A 71 -5.338 -10.396 -0.909 1.00 5.35 N ATOM 1153 CA THR A 71 -6.360 -9.479 -0.380 1.00 61.43 C ATOM 1154 C THR A 71 -5.737 -8.149 0.074 1.00 2.31 C ATOM 1155 O THR A 71 -4.591 -8.113 0.523 1.00 75.44 O ATOM 1156 CB THR A 71 -7.120 -10.122 0.814 1.00 52.52 C ATOM 1157 OG1 THR A 71 -7.693 -11.379 0.417 1.00 72.10 O ATOM 1158 CG2 THR A 71 -8.225 -9.203 1.332 1.00 65.44 C ATOM 0 H THR A 71 -4.925 -11.012 -0.209 1.00 5.35 H new ATOM 0 HA THR A 71 -7.063 -9.282 -1.190 1.00 61.43 H new ATOM 0 HB THR A 71 -6.400 -10.282 1.616 1.00 52.52 H new ATOM 0 HG1 THR A 71 -8.168 -11.776 1.177 1.00 72.10 H new ATOM 0 HG21 THR A 71 -8.736 -9.683 2.166 1.00 65.44 H new ATOM 0 HG22 THR A 71 -7.788 -8.262 1.667 1.00 65.44 H new ATOM 0 HG23 THR A 71 -8.940 -9.007 0.533 1.00 65.44 H new ATOM 1166 N VAL A 72 -6.488 -7.053 -0.042 1.00 1.23 N ATOM 1167 CA VAL A 72 -6.005 -5.739 0.399 1.00 35.24 C ATOM 1168 C VAL A 72 -7.157 -4.841 0.882 1.00 11.13 C ATOM 1169 O VAL A 72 -8.212 -4.762 0.248 1.00 52.43 O ATOM 1170 CB VAL A 72 -5.223 -5.008 -0.727 1.00 2.45 C ATOM 1171 CG1 VAL A 72 -6.136 -4.664 -1.906 1.00 51.14 C ATOM 1172 CG2 VAL A 72 -4.536 -3.754 -0.184 1.00 1.41 C ATOM 0 H VAL A 72 -7.429 -7.046 -0.435 1.00 1.23 H new ATOM 0 HA VAL A 72 -5.330 -5.926 1.234 1.00 35.24 H new ATOM 0 HB VAL A 72 -4.453 -5.687 -1.093 1.00 2.45 H new ATOM 0 HG11 VAL A 72 -5.558 -4.153 -2.677 1.00 51.14 H new ATOM 0 HG12 VAL A 72 -6.560 -5.580 -2.317 1.00 51.14 H new ATOM 0 HG13 VAL A 72 -6.941 -4.013 -1.565 1.00 51.14 H new ATOM 0 HG21 VAL A 72 -3.994 -3.258 -0.990 1.00 1.41 H new ATOM 0 HG22 VAL A 72 -5.286 -3.075 0.221 1.00 1.41 H new ATOM 0 HG23 VAL A 72 -3.837 -4.034 0.604 1.00 1.41 H new ATOM 1182 N THR A 73 -6.953 -4.188 2.023 1.00 54.32 N ATOM 1183 CA THR A 73 -7.898 -3.184 2.534 1.00 10.10 C ATOM 1184 C THR A 73 -7.146 -1.914 2.941 1.00 5.44 C ATOM 1185 O THR A 73 -5.949 -1.961 3.237 1.00 64.34 O ATOM 1186 CB THR A 73 -8.706 -3.695 3.756 1.00 54.55 C ATOM 1187 OG1 THR A 73 -7.829 -3.949 4.866 1.00 71.41 O ATOM 1188 CG2 THR A 73 -9.483 -4.965 3.420 1.00 13.23 C ATOM 0 H THR A 73 -6.138 -4.334 2.619 1.00 54.32 H new ATOM 0 HA THR A 73 -8.599 -2.975 1.726 1.00 10.10 H new ATOM 0 HB THR A 73 -9.419 -2.916 4.026 1.00 54.55 H new ATOM 0 HG1 THR A 73 -8.353 -4.269 5.630 1.00 71.41 H new ATOM 0 HG21 THR A 73 -10.038 -5.295 4.298 1.00 13.23 H new ATOM 0 HG22 THR A 73 -10.179 -4.761 2.607 1.00 13.23 H new ATOM 0 HG23 THR A 73 -8.788 -5.747 3.115 1.00 13.23 H new ATOM 1196 N TYR A 74 -7.833 -0.776 2.948 1.00 10.24 N ATOM 1197 CA TYR A 74 -7.198 0.492 3.313 1.00 43.12 C ATOM 1198 C TYR A 74 -8.156 1.443 4.048 1.00 52.22 C ATOM 1199 O TYR A 74 -9.271 1.708 3.596 1.00 1.34 O ATOM 1200 CB TYR A 74 -6.595 1.173 2.071 1.00 51.51 C ATOM 1201 CG TYR A 74 -7.505 1.214 0.851 1.00 23.20 C ATOM 1202 CD1 TYR A 74 -8.515 2.164 0.733 1.00 54.52 C ATOM 1203 CD2 TYR A 74 -7.339 0.306 -0.194 1.00 62.14 C ATOM 1204 CE1 TYR A 74 -9.326 2.209 -0.385 1.00 55.10 C ATOM 1205 CE2 TYR A 74 -8.150 0.348 -1.312 1.00 51.04 C ATOM 1206 CZ TYR A 74 -9.143 1.300 -1.402 1.00 11.34 C ATOM 1207 OH TYR A 74 -9.948 1.355 -2.521 1.00 54.42 O ATOM 0 H TYR A 74 -8.822 -0.702 2.708 1.00 10.24 H new ATOM 0 HA TYR A 74 -6.395 0.256 4.011 1.00 43.12 H new ATOM 0 HB2 TYR A 74 -6.319 2.194 2.334 1.00 51.51 H new ATOM 0 HB3 TYR A 74 -5.675 0.654 1.802 1.00 51.51 H new ATOM 0 HD1 TYR A 74 -8.668 2.878 1.529 1.00 54.52 H new ATOM 0 HD2 TYR A 74 -6.563 -0.443 -0.129 1.00 62.14 H new ATOM 0 HE1 TYR A 74 -10.102 2.956 -0.461 1.00 55.10 H new ATOM 0 HE2 TYR A 74 -8.006 -0.363 -2.113 1.00 51.04 H new ATOM 0 HH TYR A 74 -9.922 0.492 -2.985 1.00 54.42 H new ATOM 1217 N THR A 75 -7.704 1.946 5.196 1.00 64.05 N ATOM 1218 CA THR A 75 -8.460 2.920 5.992 1.00 10.13 C ATOM 1219 C THR A 75 -7.927 4.340 5.757 1.00 44.31 C ATOM 1220 O THR A 75 -6.715 4.559 5.724 1.00 53.11 O ATOM 1221 CB THR A 75 -8.373 2.601 7.508 1.00 1.01 C ATOM 1222 OG1 THR A 75 -8.818 1.254 7.763 1.00 21.44 O ATOM 1223 CG2 THR A 75 -9.215 3.579 8.326 1.00 4.01 C ATOM 0 H THR A 75 -6.804 1.692 5.603 1.00 64.05 H new ATOM 0 HA THR A 75 -9.500 2.857 5.673 1.00 10.13 H new ATOM 0 HB THR A 75 -7.330 2.702 7.809 1.00 1.01 H new ATOM 0 HG1 THR A 75 -8.756 1.065 8.723 1.00 21.44 H new ATOM 0 HG21 THR A 75 -9.135 3.331 9.384 1.00 4.01 H new ATOM 0 HG22 THR A 75 -8.854 4.595 8.163 1.00 4.01 H new ATOM 0 HG23 THR A 75 -10.257 3.510 8.015 1.00 4.01 H new ATOM 1231 N ILE A 76 -8.828 5.300 5.589 1.00 22.12 N ATOM 1232 CA ILE A 76 -8.441 6.694 5.345 1.00 43.41 C ATOM 1233 C ILE A 76 -8.586 7.546 6.619 1.00 3.00 C ATOM 1234 O ILE A 76 -9.583 7.443 7.332 1.00 10.20 O ATOM 1235 CB ILE A 76 -9.302 7.323 4.215 1.00 43.23 C ATOM 1236 CG1 ILE A 76 -9.274 6.436 2.953 1.00 72.05 C ATOM 1237 CG2 ILE A 76 -8.824 8.741 3.892 1.00 4.32 C ATOM 1238 CD1 ILE A 76 -7.888 6.205 2.391 1.00 24.11 C ATOM 0 H ILE A 76 -9.836 5.143 5.616 1.00 22.12 H new ATOM 0 HA ILE A 76 -7.395 6.685 5.039 1.00 43.41 H new ATOM 0 HB ILE A 76 -10.332 7.385 4.566 1.00 43.23 H new ATOM 0 HG12 ILE A 76 -9.724 5.472 3.190 1.00 72.05 H new ATOM 0 HG13 ILE A 76 -9.894 6.897 2.184 1.00 72.05 H new ATOM 0 HG21 ILE A 76 -9.442 9.161 3.098 1.00 4.32 H new ATOM 0 HG22 ILE A 76 -8.905 9.364 4.783 1.00 4.32 H new ATOM 0 HG23 ILE A 76 -7.785 8.709 3.565 1.00 4.32 H new ATOM 0 HD11 ILE A 76 -7.955 5.572 1.506 1.00 24.11 H new ATOM 0 HD12 ILE A 76 -7.441 7.162 2.120 1.00 24.11 H new ATOM 0 HD13 ILE A 76 -7.268 5.714 3.141 1.00 24.11 H new ATOM 1250 N ARG A 77 -7.587 8.384 6.905 1.00 51.23 N ATOM 1251 CA ARG A 77 -7.664 9.310 8.044 1.00 4.34 C ATOM 1252 C ARG A 77 -7.082 10.690 7.691 1.00 61.45 C ATOM 1253 O ARG A 77 -6.008 10.799 7.095 1.00 72.34 O ATOM 1254 CB ARG A 77 -6.951 8.737 9.281 1.00 72.44 C ATOM 1255 CG ARG A 77 -5.457 8.486 9.092 1.00 12.41 C ATOM 1256 CD ARG A 77 -4.772 8.110 10.404 1.00 15.31 C ATOM 1257 NE ARG A 77 -5.334 6.896 10.994 1.00 31.30 N ATOM 1258 CZ ARG A 77 -4.747 6.187 11.920 1.00 14.41 C ATOM 1259 NH1 ARG A 77 -3.612 6.559 12.419 1.00 61.23 N ATOM 1260 NH2 ARG A 77 -5.309 5.114 12.363 1.00 22.44 N ATOM 0 H ARG A 77 -6.720 8.443 6.370 1.00 51.23 H new ATOM 0 HA ARG A 77 -8.721 9.435 8.281 1.00 4.34 H new ATOM 0 HB2 ARG A 77 -7.088 9.425 10.115 1.00 72.44 H new ATOM 0 HB3 ARG A 77 -7.432 7.799 9.560 1.00 72.44 H new ATOM 0 HG2 ARG A 77 -5.312 7.687 8.365 1.00 12.41 H new ATOM 0 HG3 ARG A 77 -4.988 9.380 8.681 1.00 12.41 H new ATOM 0 HD2 ARG A 77 -3.706 7.966 10.227 1.00 15.31 H new ATOM 0 HD3 ARG A 77 -4.869 8.934 11.111 1.00 15.31 H new ATOM 0 HE ARG A 77 -6.245 6.582 10.660 1.00 31.30 H new ATOM 0 HH11 ARG A 77 -3.166 7.415 12.089 1.00 61.23 H new ATOM 0 HH12 ARG A 77 -3.164 5.996 13.142 1.00 61.23 H new ATOM 0 HH21 ARG A 77 -6.212 4.820 11.990 1.00 22.44 H new ATOM 0 HH22 ARG A 77 -4.851 4.560 13.086 1.00 22.44 H new