USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=19 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 Single : A 1 MET CE :methyl 150:sc= -0.224 (180deg=-1.1) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.0905) USER MOD Single : A 3 MET CE :methyl 170:sc= -0.0119 (180deg=-0.106) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0385) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.038 (180deg=-0.284) USER MOD Single : A 22 MET CE :methyl -158:sc= -0.0293 (180deg=-0.482) USER MOD Single : A 25 GLN : amide:sc= -0.0542 X(o=-0.054,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0502) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 41:sc= 0.359 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 55 LYS NZ :NH3+ -134:sc= 1.17 (180deg=0.763) USER MOD Single : A 59 LYS NZ :NH3+ -124:sc= 0.976 (180deg=0.157) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= -0.0103 (180deg=-0.122) USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.564 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -170:sc= 0.996 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.914 13.608 7.026 1.00 13.31 N ATOM 2 CA MET A 1 -3.548 12.540 6.208 1.00 41.14 C ATOM 3 C MET A 1 -2.673 11.277 6.161 1.00 22.42 C ATOM 4 O MET A 1 -1.601 11.271 5.553 1.00 1.41 O ATOM 5 CB MET A 1 -3.824 13.045 4.785 1.00 41.52 C ATOM 6 CG MET A 1 -4.875 14.145 4.718 1.00 73.53 C ATOM 7 SD MET A 1 -5.169 14.722 3.034 1.00 50.40 S ATOM 8 CE MET A 1 -5.614 13.192 2.209 1.00 1.44 C ATOM 0 H1 MET A 1 -3.601 14.370 7.194 1.00 13.31 H new ATOM 0 H2 MET A 1 -2.607 13.211 7.937 1.00 13.31 H new ATOM 0 H3 MET A 1 -2.090 13.990 6.520 1.00 13.31 H new ATOM 0 HA MET A 1 -4.495 12.278 6.681 1.00 41.14 H new ATOM 0 HB2 MET A 1 -2.894 13.417 4.354 1.00 41.52 H new ATOM 0 HB3 MET A 1 -4.148 12.207 4.168 1.00 41.52 H new ATOM 0 HG2 MET A 1 -5.810 13.776 5.140 1.00 73.53 H new ATOM 0 HG3 MET A 1 -4.556 14.985 5.335 1.00 73.53 H new ATOM 0 HE1 MET A 1 -6.302 13.406 1.391 1.00 1.44 H new ATOM 0 HE2 MET A 1 -4.716 12.718 1.813 1.00 1.44 H new ATOM 0 HE3 MET A 1 -6.095 12.521 2.921 1.00 1.44 H new ATOM 20 N GLU A 2 -3.138 10.214 6.814 1.00 32.44 N ATOM 21 CA GLU A 2 -2.422 8.930 6.847 1.00 55.31 C ATOM 22 C GLU A 2 -3.227 7.835 6.137 1.00 3.25 C ATOM 23 O GLU A 2 -4.461 7.855 6.151 1.00 0.10 O ATOM 24 CB GLU A 2 -2.160 8.520 8.301 1.00 65.53 C ATOM 25 CG GLU A 2 -1.279 9.502 9.067 1.00 14.32 C ATOM 26 CD GLU A 2 -1.267 9.230 10.559 1.00 70.53 C ATOM 27 OE1 GLU A 2 -0.470 8.382 11.012 1.00 61.24 O ATOM 28 OE2 GLU A 2 -2.063 9.857 11.288 1.00 10.24 O ATOM 0 H GLU A 2 -4.016 10.213 7.334 1.00 32.44 H new ATOM 0 HA GLU A 2 -1.473 9.052 6.325 1.00 55.31 H new ATOM 0 HB2 GLU A 2 -3.114 8.422 8.819 1.00 65.53 H new ATOM 0 HB3 GLU A 2 -1.688 7.537 8.313 1.00 65.53 H new ATOM 0 HG2 GLU A 2 -0.260 9.447 8.683 1.00 14.32 H new ATOM 0 HG3 GLU A 2 -1.633 10.518 8.889 1.00 14.32 H new ATOM 35 N MET A 3 -2.529 6.884 5.519 1.00 50.52 N ATOM 36 CA MET A 3 -3.184 5.787 4.798 1.00 3.12 C ATOM 37 C MET A 3 -2.609 4.416 5.204 1.00 60.11 C ATOM 38 O MET A 3 -1.477 4.069 4.855 1.00 32.10 O ATOM 39 CB MET A 3 -3.040 6.006 3.283 1.00 71.14 C ATOM 40 CG MET A 3 -3.753 4.968 2.425 1.00 50.45 C ATOM 41 SD MET A 3 -3.665 5.361 0.664 1.00 64.31 S ATOM 42 CE MET A 3 -4.658 4.044 -0.041 1.00 55.14 C ATOM 0 H MET A 3 -1.510 6.848 5.501 1.00 50.52 H new ATOM 0 HA MET A 3 -4.241 5.786 5.065 1.00 3.12 H new ATOM 0 HB2 MET A 3 -3.427 6.994 3.033 1.00 71.14 H new ATOM 0 HB3 MET A 3 -1.980 6.005 3.027 1.00 71.14 H new ATOM 0 HG2 MET A 3 -3.309 3.988 2.599 1.00 50.45 H new ATOM 0 HG3 MET A 3 -4.798 4.903 2.729 1.00 50.45 H new ATOM 0 HE1 MET A 3 -4.843 4.252 -1.095 1.00 55.14 H new ATOM 0 HE2 MET A 3 -4.127 3.097 0.054 1.00 55.14 H new ATOM 0 HE3 MET A 3 -5.609 3.982 0.489 1.00 55.14 H new ATOM 52 N ASP A 4 -3.401 3.653 5.958 1.00 32.04 N ATOM 53 CA ASP A 4 -3.042 2.294 6.372 1.00 1.31 C ATOM 54 C ASP A 4 -3.345 1.277 5.260 1.00 30.30 C ATOM 55 O ASP A 4 -4.501 0.920 5.033 1.00 14.20 O ATOM 56 CB ASP A 4 -3.840 1.900 7.622 1.00 71.24 C ATOM 57 CG ASP A 4 -3.562 2.786 8.820 1.00 41.33 C ATOM 58 OD1 ASP A 4 -3.972 3.964 8.801 1.00 32.21 O ATOM 59 OD2 ASP A 4 -2.957 2.291 9.797 1.00 72.13 O ATOM 0 H ASP A 4 -4.312 3.960 6.300 1.00 32.04 H new ATOM 0 HA ASP A 4 -1.973 2.284 6.585 1.00 1.31 H new ATOM 0 HB2 ASP A 4 -4.905 1.938 7.391 1.00 71.24 H new ATOM 0 HB3 ASP A 4 -3.607 0.867 7.882 1.00 71.24 H new ATOM 64 N ILE A 5 -2.308 0.808 4.575 1.00 51.42 N ATOM 65 CA ILE A 5 -2.467 -0.192 3.516 1.00 44.23 C ATOM 66 C ILE A 5 -1.940 -1.568 3.963 1.00 70.24 C ATOM 67 O ILE A 5 -0.735 -1.767 4.112 1.00 5.40 O ATOM 68 CB ILE A 5 -1.727 0.239 2.226 1.00 51.03 C ATOM 69 CG1 ILE A 5 -2.135 1.668 1.826 1.00 53.45 C ATOM 70 CG2 ILE A 5 -2.016 -0.741 1.091 1.00 21.11 C ATOM 71 CD1 ILE A 5 -1.410 2.193 0.602 1.00 33.01 C ATOM 0 H ILE A 5 -1.344 1.103 4.732 1.00 51.42 H new ATOM 0 HA ILE A 5 -3.534 -0.269 3.309 1.00 44.23 H new ATOM 0 HB ILE A 5 -0.655 0.229 2.422 1.00 51.03 H new ATOM 0 HG12 ILE A 5 -3.208 1.690 1.638 1.00 53.45 H new ATOM 0 HG13 ILE A 5 -1.945 2.338 2.664 1.00 53.45 H new ATOM 0 HG21 ILE A 5 -1.488 -0.423 0.192 1.00 21.11 H new ATOM 0 HG22 ILE A 5 -1.679 -1.738 1.376 1.00 21.11 H new ATOM 0 HG23 ILE A 5 -3.088 -0.763 0.893 1.00 21.11 H new ATOM 0 HD11 ILE A 5 -1.751 3.205 0.383 1.00 33.01 H new ATOM 0 HD12 ILE A 5 -0.337 2.205 0.792 1.00 33.01 H new ATOM 0 HD13 ILE A 5 -1.620 1.547 -0.250 1.00 33.01 H new ATOM 83 N ARG A 6 -2.850 -2.510 4.182 1.00 1.31 N ATOM 84 CA ARG A 6 -2.478 -3.863 4.610 1.00 4.51 C ATOM 85 C ARG A 6 -2.525 -4.858 3.440 1.00 12.22 C ATOM 86 O ARG A 6 -3.605 -5.228 2.974 1.00 53.33 O ATOM 87 CB ARG A 6 -3.408 -4.365 5.735 1.00 42.55 C ATOM 88 CG ARG A 6 -3.257 -3.636 7.073 1.00 25.24 C ATOM 89 CD ARG A 6 -3.796 -2.211 7.025 1.00 14.44 C ATOM 90 NE ARG A 6 -5.196 -2.169 6.602 1.00 1.54 N ATOM 91 CZ ARG A 6 -6.086 -1.342 7.082 1.00 63.32 C ATOM 92 NH1 ARG A 6 -5.792 -0.546 8.060 1.00 72.45 N ATOM 93 NH2 ARG A 6 -7.288 -1.340 6.603 1.00 55.34 N ATOM 0 H ARG A 6 -3.854 -2.366 4.071 1.00 1.31 H new ATOM 0 HA ARG A 6 -1.456 -3.805 4.984 1.00 4.51 H new ATOM 0 HB2 ARG A 6 -4.441 -4.270 5.401 1.00 42.55 H new ATOM 0 HB3 ARG A 6 -3.221 -5.427 5.894 1.00 42.55 H new ATOM 0 HG2 ARG A 6 -3.782 -4.194 7.848 1.00 25.24 H new ATOM 0 HG3 ARG A 6 -2.204 -3.614 7.354 1.00 25.24 H new ATOM 0 HD2 ARG A 6 -3.701 -1.754 8.010 1.00 14.44 H new ATOM 0 HD3 ARG A 6 -3.192 -1.618 6.339 1.00 14.44 H new ATOM 0 HE ARG A 6 -5.497 -2.829 5.885 1.00 1.54 H new ATOM 0 HH11 ARG A 6 -4.856 -0.560 8.465 1.00 72.45 H new ATOM 0 HH12 ARG A 6 -6.496 0.095 8.425 1.00 72.45 H new ATOM 0 HH21 ARG A 6 -7.539 -1.983 5.852 1.00 55.34 H new ATOM 0 HH22 ARG A 6 -7.985 -0.695 6.976 1.00 55.34 H new ATOM 107 N PHE A 7 -1.353 -5.275 2.966 1.00 74.11 N ATOM 108 CA PHE A 7 -1.260 -6.348 1.967 1.00 2.42 C ATOM 109 C PHE A 7 -1.171 -7.714 2.662 1.00 33.22 C ATOM 110 O PHE A 7 -0.475 -7.860 3.663 1.00 52.42 O ATOM 111 CB PHE A 7 -0.024 -6.164 1.069 1.00 3.25 C ATOM 112 CG PHE A 7 -0.112 -5.009 0.097 1.00 1.21 C ATOM 113 CD1 PHE A 7 -0.678 -5.184 -1.160 1.00 45.04 C ATOM 114 CD2 PHE A 7 0.391 -3.758 0.429 1.00 33.43 C ATOM 115 CE1 PHE A 7 -0.743 -4.138 -2.061 1.00 60.21 C ATOM 116 CE2 PHE A 7 0.324 -2.708 -0.471 1.00 14.20 C ATOM 117 CZ PHE A 7 -0.241 -2.900 -1.717 1.00 42.22 C ATOM 0 H PHE A 7 -0.454 -4.890 3.254 1.00 74.11 H new ATOM 0 HA PHE A 7 -2.157 -6.303 1.350 1.00 2.42 H new ATOM 0 HB2 PHE A 7 0.850 -6.020 1.704 1.00 3.25 H new ATOM 0 HB3 PHE A 7 0.138 -7.083 0.506 1.00 3.25 H new ATOM 0 HD1 PHE A 7 -1.072 -6.151 -1.437 1.00 45.04 H new ATOM 0 HD2 PHE A 7 0.839 -3.602 1.399 1.00 33.43 H new ATOM 0 HE1 PHE A 7 -1.187 -4.290 -3.034 1.00 60.21 H new ATOM 0 HE2 PHE A 7 0.714 -1.738 -0.199 1.00 14.20 H new ATOM 0 HZ PHE A 7 -0.290 -2.082 -2.421 1.00 42.22 H new ATOM 127 N ARG A 8 -1.874 -8.711 2.137 1.00 1.14 N ATOM 128 CA ARG A 8 -1.781 -10.075 2.672 1.00 62.23 C ATOM 129 C ARG A 8 -1.717 -11.099 1.532 1.00 22.11 C ATOM 130 O ARG A 8 -2.633 -11.187 0.709 1.00 52.53 O ATOM 131 CB ARG A 8 -2.971 -10.379 3.596 1.00 12.51 C ATOM 132 CG ARG A 8 -2.845 -11.706 4.349 1.00 64.32 C ATOM 133 CD ARG A 8 -4.061 -11.982 5.226 1.00 63.13 C ATOM 134 NE ARG A 8 -5.270 -12.194 4.435 1.00 13.01 N ATOM 135 CZ ARG A 8 -6.483 -11.968 4.859 1.00 4.12 C ATOM 136 NH1 ARG A 8 -6.702 -11.516 6.055 1.00 24.03 N ATOM 137 NH2 ARG A 8 -7.483 -12.217 4.083 1.00 10.40 N ATOM 0 H ARG A 8 -2.511 -8.608 1.347 1.00 1.14 H new ATOM 0 HA ARG A 8 -0.864 -10.148 3.256 1.00 62.23 H new ATOM 0 HB2 ARG A 8 -3.074 -9.570 4.319 1.00 12.51 H new ATOM 0 HB3 ARG A 8 -3.885 -10.394 3.003 1.00 12.51 H new ATOM 0 HG2 ARG A 8 -2.722 -12.519 3.633 1.00 64.32 H new ATOM 0 HG3 ARG A 8 -1.948 -11.688 4.968 1.00 64.32 H new ATOM 0 HD2 ARG A 8 -3.872 -12.861 5.842 1.00 63.13 H new ATOM 0 HD3 ARG A 8 -4.215 -11.144 5.906 1.00 63.13 H new ATOM 0 HE ARG A 8 -5.158 -12.544 3.483 1.00 13.01 H new ATOM 0 HH11 ARG A 8 -5.919 -11.331 6.682 1.00 24.03 H new ATOM 0 HH12 ARG A 8 -7.657 -11.345 6.369 1.00 24.03 H new ATOM 0 HH21 ARG A 8 -7.322 -12.587 3.146 1.00 10.40 H new ATOM 0 HH22 ARG A 8 -8.435 -12.043 4.406 1.00 10.40 H new ATOM 151 N GLY A 9 -0.634 -11.870 1.492 1.00 55.24 N ATOM 152 CA GLY A 9 -0.449 -12.852 0.431 1.00 13.22 C ATOM 153 C GLY A 9 0.646 -13.862 0.742 1.00 55.34 C ATOM 154 O GLY A 9 1.621 -13.549 1.424 1.00 43.23 O ATOM 0 H GLY A 9 0.122 -11.834 2.176 1.00 55.24 H new ATOM 0 HA2 GLY A 9 -1.387 -13.381 0.265 1.00 13.22 H new ATOM 0 HA3 GLY A 9 -0.206 -12.335 -0.497 1.00 13.22 H new ATOM 158 N ASP A 10 0.493 -15.078 0.225 1.00 63.31 N ATOM 159 CA ASP A 10 1.458 -16.157 0.465 1.00 13.24 C ATOM 160 C ASP A 10 2.611 -16.129 -0.562 1.00 1.03 C ATOM 161 O ASP A 10 3.275 -17.145 -0.797 1.00 11.25 O ATOM 162 CB ASP A 10 0.729 -17.506 0.397 1.00 15.33 C ATOM 163 CG ASP A 10 -0.562 -17.505 1.196 1.00 61.22 C ATOM 164 OD1 ASP A 10 -0.516 -17.714 2.426 1.00 43.23 O ATOM 165 OD2 ASP A 10 -1.633 -17.279 0.599 1.00 5.22 O ATOM 0 H ASP A 10 -0.293 -15.346 -0.367 1.00 63.31 H new ATOM 0 HA ASP A 10 1.895 -16.015 1.453 1.00 13.24 H new ATOM 0 HB2 ASP A 10 0.509 -17.746 -0.643 1.00 15.33 H new ATOM 0 HB3 ASP A 10 1.386 -18.291 0.773 1.00 15.33 H new ATOM 170 N ASP A 11 2.864 -14.961 -1.155 1.00 14.33 N ATOM 171 CA ASP A 11 3.863 -14.831 -2.226 1.00 63.44 C ATOM 172 C ASP A 11 4.987 -13.846 -1.832 1.00 60.22 C ATOM 173 O ASP A 11 4.733 -12.669 -1.567 1.00 72.42 O ATOM 174 CB ASP A 11 3.168 -14.369 -3.515 1.00 51.02 C ATOM 175 CG ASP A 11 4.024 -14.586 -4.750 1.00 41.25 C ATOM 176 OD1 ASP A 11 4.952 -13.789 -4.989 1.00 52.34 O ATOM 177 OD2 ASP A 11 3.789 -15.577 -5.473 1.00 0.11 O ATOM 0 H ASP A 11 2.393 -14.089 -0.914 1.00 14.33 H new ATOM 0 HA ASP A 11 4.326 -15.804 -2.391 1.00 63.44 H new ATOM 0 HB2 ASP A 11 2.228 -14.908 -3.630 1.00 51.02 H new ATOM 0 HB3 ASP A 11 2.920 -13.311 -3.431 1.00 51.02 H new ATOM 182 N LEU A 12 6.227 -14.334 -1.814 1.00 35.42 N ATOM 183 CA LEU A 12 7.383 -13.527 -1.387 1.00 11.45 C ATOM 184 C LEU A 12 7.758 -12.453 -2.427 1.00 32.14 C ATOM 185 O LEU A 12 8.140 -11.334 -2.072 1.00 64.32 O ATOM 186 CB LEU A 12 8.591 -14.438 -1.115 1.00 63.12 C ATOM 187 CG LEU A 12 9.845 -13.728 -0.570 1.00 22.12 C ATOM 188 CD1 LEU A 12 9.551 -13.045 0.767 1.00 13.34 C ATOM 189 CD2 LEU A 12 11.006 -14.713 -0.431 1.00 14.11 C ATOM 0 H LEU A 12 6.463 -15.287 -2.090 1.00 35.42 H new ATOM 0 HA LEU A 12 7.099 -13.011 -0.470 1.00 11.45 H new ATOM 0 HB2 LEU A 12 8.291 -15.207 -0.403 1.00 63.12 H new ATOM 0 HB3 LEU A 12 8.856 -14.947 -2.041 1.00 63.12 H new ATOM 0 HG LEU A 12 10.134 -12.957 -1.285 1.00 22.12 H new ATOM 0 HD11 LEU A 12 10.453 -12.552 1.130 1.00 13.34 H new ATOM 0 HD12 LEU A 12 8.762 -12.305 0.632 1.00 13.34 H new ATOM 0 HD13 LEU A 12 9.229 -13.791 1.493 1.00 13.34 H new ATOM 0 HD21 LEU A 12 11.882 -14.191 -0.045 1.00 14.11 H new ATOM 0 HD22 LEU A 12 10.726 -15.511 0.257 1.00 14.11 H new ATOM 0 HD23 LEU A 12 11.239 -15.140 -1.406 1.00 14.11 H new ATOM 201 N GLU A 13 7.660 -12.798 -3.710 1.00 74.34 N ATOM 202 CA GLU A 13 7.950 -11.847 -4.794 1.00 50.24 C ATOM 203 C GLU A 13 6.935 -10.691 -4.807 1.00 72.41 C ATOM 204 O GLU A 13 7.300 -9.529 -5.014 1.00 32.32 O ATOM 205 CB GLU A 13 7.965 -12.573 -6.156 1.00 34.02 C ATOM 206 CG GLU A 13 9.271 -13.312 -6.462 1.00 23.53 C ATOM 207 CD GLU A 13 9.739 -14.212 -5.329 1.00 14.35 C ATOM 208 OE1 GLU A 13 9.091 -15.248 -5.076 1.00 73.50 O ATOM 209 OE2 GLU A 13 10.767 -13.892 -4.692 1.00 14.24 O ATOM 0 H GLU A 13 7.383 -13.726 -4.029 1.00 74.34 H new ATOM 0 HA GLU A 13 8.937 -11.421 -4.615 1.00 50.24 H new ATOM 0 HB2 GLU A 13 7.142 -13.287 -6.183 1.00 34.02 H new ATOM 0 HB3 GLU A 13 7.780 -11.844 -6.945 1.00 34.02 H new ATOM 0 HG2 GLU A 13 9.137 -13.913 -7.361 1.00 23.53 H new ATOM 0 HG3 GLU A 13 10.050 -12.581 -6.680 1.00 23.53 H new ATOM 216 N ALA A 14 5.666 -11.021 -4.573 1.00 32.32 N ATOM 217 CA ALA A 14 4.600 -10.018 -4.463 1.00 0.43 C ATOM 218 C ALA A 14 4.910 -9.000 -3.360 1.00 72.23 C ATOM 219 O ALA A 14 4.723 -7.794 -3.538 1.00 55.24 O ATOM 220 CB ALA A 14 3.267 -10.701 -4.185 1.00 43.14 C ATOM 0 H ALA A 14 5.346 -11.982 -4.455 1.00 32.32 H new ATOM 0 HA ALA A 14 4.539 -9.483 -5.410 1.00 0.43 H new ATOM 0 HB1 ALA A 14 2.482 -9.949 -4.105 1.00 43.14 H new ATOM 0 HB2 ALA A 14 3.032 -11.385 -5.000 1.00 43.14 H new ATOM 0 HB3 ALA A 14 3.332 -11.258 -3.251 1.00 43.14 H new ATOM 226 N PHE A 15 5.386 -9.508 -2.221 1.00 63.14 N ATOM 227 CA PHE A 15 5.803 -8.665 -1.092 1.00 2.11 C ATOM 228 C PHE A 15 6.758 -7.548 -1.543 1.00 20.13 C ATOM 229 O PHE A 15 6.502 -6.366 -1.309 1.00 3.21 O ATOM 230 CB PHE A 15 6.473 -9.539 -0.014 1.00 1.55 C ATOM 231 CG PHE A 15 7.206 -8.760 1.056 1.00 10.02 C ATOM 232 CD1 PHE A 15 6.511 -8.120 2.070 1.00 1.02 C ATOM 233 CD2 PHE A 15 8.594 -8.666 1.039 1.00 52.31 C ATOM 234 CE1 PHE A 15 7.183 -7.405 3.045 1.00 43.15 C ATOM 235 CE2 PHE A 15 9.268 -7.951 2.011 1.00 11.51 C ATOM 236 CZ PHE A 15 8.561 -7.320 3.014 1.00 4.25 C ATOM 0 H PHE A 15 5.494 -10.508 -2.053 1.00 63.14 H new ATOM 0 HA PHE A 15 4.915 -8.189 -0.676 1.00 2.11 H new ATOM 0 HB2 PHE A 15 5.711 -10.156 0.461 1.00 1.55 H new ATOM 0 HB3 PHE A 15 7.176 -10.217 -0.498 1.00 1.55 H new ATOM 0 HD1 PHE A 15 5.433 -8.180 2.099 1.00 1.02 H new ATOM 0 HD2 PHE A 15 9.152 -9.158 0.256 1.00 52.31 H new ATOM 0 HE1 PHE A 15 6.630 -6.913 3.831 1.00 43.15 H new ATOM 0 HE2 PHE A 15 10.346 -7.886 1.986 1.00 11.51 H new ATOM 0 HZ PHE A 15 9.085 -6.760 3.774 1.00 4.25 H new ATOM 246 N GLU A 16 7.852 -7.931 -2.198 1.00 13.31 N ATOM 247 CA GLU A 16 8.868 -6.966 -2.636 1.00 35.01 C ATOM 248 C GLU A 16 8.305 -5.959 -3.649 1.00 63.11 C ATOM 249 O GLU A 16 8.371 -4.751 -3.437 1.00 31.51 O ATOM 250 CB GLU A 16 10.073 -7.691 -3.261 1.00 54.21 C ATOM 251 CG GLU A 16 11.191 -6.745 -3.702 1.00 41.23 C ATOM 252 CD GLU A 16 12.298 -7.445 -4.473 1.00 22.43 C ATOM 253 OE1 GLU A 16 13.242 -7.956 -3.838 1.00 72.43 O ATOM 254 OE2 GLU A 16 12.232 -7.477 -5.721 1.00 73.13 O ATOM 0 H GLU A 16 8.061 -8.900 -2.439 1.00 13.31 H new ATOM 0 HA GLU A 16 9.187 -6.420 -1.748 1.00 35.01 H new ATOM 0 HB2 GLU A 16 10.473 -8.403 -2.539 1.00 54.21 H new ATOM 0 HB3 GLU A 16 9.734 -8.267 -4.122 1.00 54.21 H new ATOM 0 HG2 GLU A 16 10.767 -5.956 -4.323 1.00 41.23 H new ATOM 0 HG3 GLU A 16 11.618 -6.263 -2.823 1.00 41.23 H new ATOM 261 N LYS A 17 7.750 -6.467 -4.747 1.00 31.11 N ATOM 262 CA LYS A 17 7.302 -5.616 -5.860 1.00 42.44 C ATOM 263 C LYS A 17 6.190 -4.636 -5.447 1.00 2.24 C ATOM 264 O LYS A 17 6.280 -3.439 -5.724 1.00 62.41 O ATOM 265 CB LYS A 17 6.846 -6.488 -7.040 1.00 2.34 C ATOM 266 CG LYS A 17 7.972 -7.328 -7.640 1.00 71.24 C ATOM 267 CD LYS A 17 9.100 -6.450 -8.187 1.00 33.32 C ATOM 268 CE LYS A 17 10.302 -7.272 -8.642 1.00 21.04 C ATOM 269 NZ LYS A 17 9.952 -8.237 -9.717 1.00 5.44 N ATOM 0 H LYS A 17 7.597 -7.465 -4.895 1.00 31.11 H new ATOM 0 HA LYS A 17 8.154 -5.009 -6.166 1.00 42.44 H new ATOM 0 HB2 LYS A 17 6.046 -7.150 -6.706 1.00 2.34 H new ATOM 0 HB3 LYS A 17 6.427 -5.847 -7.816 1.00 2.34 H new ATOM 0 HG2 LYS A 17 8.370 -8.001 -6.880 1.00 71.24 H new ATOM 0 HG3 LYS A 17 7.575 -7.951 -8.441 1.00 71.24 H new ATOM 0 HD2 LYS A 17 8.726 -5.862 -9.025 1.00 33.32 H new ATOM 0 HD3 LYS A 17 9.415 -5.745 -7.418 1.00 33.32 H new ATOM 0 HE2 LYS A 17 11.083 -6.601 -8.999 1.00 21.04 H new ATOM 0 HE3 LYS A 17 10.712 -7.814 -7.790 1.00 21.04 H new ATOM 0 HZ1 LYS A 17 10.815 -8.712 -10.052 1.00 5.44 H new ATOM 0 HZ2 LYS A 17 9.289 -8.946 -9.344 1.00 5.44 H new ATOM 0 HZ3 LYS A 17 9.507 -7.729 -10.508 1.00 5.44 H new ATOM 283 N ALA A 18 5.148 -5.136 -4.780 1.00 52.34 N ATOM 284 CA ALA A 18 4.031 -4.282 -4.349 1.00 31.12 C ATOM 285 C ALA A 18 4.503 -3.173 -3.393 1.00 13.14 C ATOM 286 O ALA A 18 4.171 -1.999 -3.570 1.00 44.21 O ATOM 287 CB ALA A 18 2.938 -5.123 -3.696 1.00 64.23 C ATOM 0 H ALA A 18 5.051 -6.119 -4.526 1.00 52.34 H new ATOM 0 HA ALA A 18 3.620 -3.800 -5.236 1.00 31.12 H new ATOM 0 HB1 ALA A 18 2.119 -4.476 -3.383 1.00 64.23 H new ATOM 0 HB2 ALA A 18 2.567 -5.857 -4.412 1.00 64.23 H new ATOM 0 HB3 ALA A 18 3.346 -5.638 -2.826 1.00 64.23 H new ATOM 293 N LEU A 19 5.285 -3.556 -2.384 1.00 72.11 N ATOM 294 CA LEU A 19 5.850 -2.596 -1.427 1.00 41.12 C ATOM 295 C LEU A 19 6.797 -1.599 -2.121 1.00 74.25 C ATOM 296 O LEU A 19 6.754 -0.392 -1.860 1.00 30.33 O ATOM 297 CB LEU A 19 6.603 -3.360 -0.327 1.00 14.12 C ATOM 298 CG LEU A 19 7.335 -2.497 0.715 1.00 65.32 C ATOM 299 CD1 LEU A 19 6.353 -1.641 1.511 1.00 63.44 C ATOM 300 CD2 LEU A 19 8.165 -3.376 1.646 1.00 11.20 C ATOM 0 H LEU A 19 5.544 -4.526 -2.205 1.00 72.11 H new ATOM 0 HA LEU A 19 5.032 -2.024 -0.988 1.00 41.12 H new ATOM 0 HB2 LEU A 19 5.891 -3.999 0.196 1.00 14.12 H new ATOM 0 HB3 LEU A 19 7.332 -4.016 -0.802 1.00 14.12 H new ATOM 0 HG LEU A 19 8.007 -1.823 0.184 1.00 65.32 H new ATOM 0 HD11 LEU A 19 6.900 -1.042 2.239 1.00 63.44 H new ATOM 0 HD12 LEU A 19 5.812 -0.982 0.832 1.00 63.44 H new ATOM 0 HD13 LEU A 19 5.645 -2.287 2.030 1.00 63.44 H new ATOM 0 HD21 LEU A 19 8.677 -2.750 2.377 1.00 11.20 H new ATOM 0 HD22 LEU A 19 7.511 -4.078 2.163 1.00 11.20 H new ATOM 0 HD23 LEU A 19 8.902 -3.929 1.063 1.00 11.20 H new ATOM 312 N LYS A 20 7.638 -2.120 -3.011 1.00 11.42 N ATOM 313 CA LYS A 20 8.647 -1.320 -3.715 1.00 0.41 C ATOM 314 C LYS A 20 8.010 -0.165 -4.503 1.00 52.32 C ATOM 315 O LYS A 20 8.460 0.978 -4.420 1.00 44.43 O ATOM 316 CB LYS A 20 9.452 -2.222 -4.665 1.00 22.40 C ATOM 317 CG LYS A 20 10.719 -1.585 -5.232 1.00 23.42 C ATOM 318 CD LYS A 20 11.719 -1.254 -4.128 1.00 50.13 C ATOM 319 CE LYS A 20 13.068 -0.826 -4.692 1.00 62.21 C ATOM 320 NZ LYS A 20 13.740 -1.927 -5.436 1.00 11.03 N ATOM 0 H LYS A 20 7.642 -3.107 -3.267 1.00 11.42 H new ATOM 0 HA LYS A 20 9.311 -0.884 -2.968 1.00 0.41 H new ATOM 0 HB2 LYS A 20 9.727 -3.133 -4.133 1.00 22.40 H new ATOM 0 HB3 LYS A 20 8.809 -2.519 -5.494 1.00 22.40 H new ATOM 0 HG2 LYS A 20 11.179 -2.264 -5.950 1.00 23.42 H new ATOM 0 HG3 LYS A 20 10.459 -0.676 -5.774 1.00 23.42 H new ATOM 0 HD2 LYS A 20 11.318 -0.457 -3.502 1.00 50.13 H new ATOM 0 HD3 LYS A 20 11.854 -2.125 -3.487 1.00 50.13 H new ATOM 0 HE2 LYS A 20 12.928 0.027 -5.356 1.00 62.21 H new ATOM 0 HE3 LYS A 20 13.712 -0.494 -3.878 1.00 62.21 H new ATOM 0 HZ1 LYS A 20 14.745 -1.695 -5.566 1.00 11.03 H new ATOM 0 HZ2 LYS A 20 13.656 -2.812 -4.896 1.00 11.03 H new ATOM 0 HZ3 LYS A 20 13.288 -2.044 -6.365 1.00 11.03 H new ATOM 334 N GLU A 21 6.962 -0.469 -5.266 1.00 44.01 N ATOM 335 CA GLU A 21 6.291 0.537 -6.097 1.00 63.24 C ATOM 336 C GLU A 21 5.582 1.613 -5.256 1.00 12.54 C ATOM 337 O GLU A 21 5.500 2.776 -5.660 1.00 23.01 O ATOM 338 CB GLU A 21 5.295 -0.135 -7.051 1.00 4.44 C ATOM 339 CG GLU A 21 5.951 -1.111 -8.025 1.00 5.31 C ATOM 340 CD GLU A 21 7.145 -0.499 -8.742 1.00 22.33 C ATOM 341 OE1 GLU A 21 6.951 0.456 -9.522 1.00 72.04 O ATOM 342 OE2 GLU A 21 8.287 -0.953 -8.505 1.00 33.11 O ATOM 0 H GLU A 21 6.557 -1.403 -5.328 1.00 44.01 H new ATOM 0 HA GLU A 21 7.064 1.040 -6.679 1.00 63.24 H new ATOM 0 HB2 GLU A 21 4.545 -0.667 -6.466 1.00 4.44 H new ATOM 0 HB3 GLU A 21 4.770 0.634 -7.618 1.00 4.44 H new ATOM 0 HG2 GLU A 21 6.273 -2.000 -7.483 1.00 5.31 H new ATOM 0 HG3 GLU A 21 5.215 -1.435 -8.761 1.00 5.31 H new ATOM 349 N MET A 22 5.066 1.225 -4.091 1.00 51.24 N ATOM 350 CA MET A 22 4.436 2.185 -3.174 1.00 45.02 C ATOM 351 C MET A 22 5.472 3.180 -2.625 1.00 43.00 C ATOM 352 O MET A 22 5.252 4.393 -2.631 1.00 33.15 O ATOM 353 CB MET A 22 3.735 1.458 -2.018 1.00 70.01 C ATOM 354 CG MET A 22 2.597 0.553 -2.472 1.00 73.42 C ATOM 355 SD MET A 22 1.381 1.423 -3.490 1.00 64.25 S ATOM 356 CE MET A 22 0.771 2.656 -2.343 1.00 61.34 C ATOM 0 H MET A 22 5.069 0.261 -3.758 1.00 51.24 H new ATOM 0 HA MET A 22 3.687 2.741 -3.738 1.00 45.02 H new ATOM 0 HB2 MET A 22 4.469 0.862 -1.476 1.00 70.01 H new ATOM 0 HB3 MET A 22 3.344 2.197 -1.318 1.00 70.01 H new ATOM 0 HG2 MET A 22 3.007 -0.284 -3.037 1.00 73.42 H new ATOM 0 HG3 MET A 22 2.100 0.134 -1.597 1.00 73.42 H new ATOM 0 HE1 MET A 22 -0.214 2.996 -2.664 1.00 61.34 H new ATOM 0 HE2 MET A 22 0.698 2.221 -1.346 1.00 61.34 H new ATOM 0 HE3 MET A 22 1.457 3.502 -2.320 1.00 61.34 H new ATOM 366 N ILE A 23 6.607 2.656 -2.165 1.00 44.41 N ATOM 367 CA ILE A 23 7.701 3.492 -1.663 1.00 72.24 C ATOM 368 C ILE A 23 8.307 4.344 -2.791 1.00 50.43 C ATOM 369 O ILE A 23 8.623 5.519 -2.596 1.00 33.43 O ATOM 370 CB ILE A 23 8.812 2.627 -1.009 1.00 43.53 C ATOM 371 CG1 ILE A 23 8.228 1.789 0.142 1.00 51.10 C ATOM 372 CG2 ILE A 23 9.961 3.504 -0.508 1.00 2.34 C ATOM 373 CD1 ILE A 23 9.241 0.892 0.826 1.00 1.51 C ATOM 0 H ILE A 23 6.795 1.654 -2.129 1.00 44.41 H new ATOM 0 HA ILE A 23 7.281 4.155 -0.906 1.00 72.24 H new ATOM 0 HB ILE A 23 9.210 1.950 -1.765 1.00 43.53 H new ATOM 0 HG12 ILE A 23 7.794 2.460 0.883 1.00 51.10 H new ATOM 0 HG13 ILE A 23 7.416 1.174 -0.246 1.00 51.10 H new ATOM 0 HG21 ILE A 23 10.727 2.876 -0.054 1.00 2.34 H new ATOM 0 HG22 ILE A 23 10.392 4.053 -1.345 1.00 2.34 H new ATOM 0 HG23 ILE A 23 9.584 4.209 0.233 1.00 2.34 H new ATOM 0 HD11 ILE A 23 8.752 0.335 1.625 1.00 1.51 H new ATOM 0 HD12 ILE A 23 9.658 0.195 0.100 1.00 1.51 H new ATOM 0 HD13 ILE A 23 10.042 1.501 1.246 1.00 1.51 H new ATOM 385 N ARG A 24 8.439 3.747 -3.980 1.00 12.14 N ATOM 386 CA ARG A 24 8.989 4.441 -5.154 1.00 2.03 C ATOM 387 C ARG A 24 8.222 5.745 -5.440 1.00 30.03 C ATOM 388 O ARG A 24 8.820 6.795 -5.693 1.00 20.13 O ATOM 389 CB ARG A 24 8.927 3.524 -6.391 1.00 51.32 C ATOM 390 CG ARG A 24 9.721 4.044 -7.588 1.00 11.40 C ATOM 391 CD ARG A 24 9.451 3.240 -8.862 1.00 14.31 C ATOM 392 NE ARG A 24 9.657 1.802 -8.682 1.00 2.33 N ATOM 393 CZ ARG A 24 10.739 1.157 -9.031 1.00 3.43 C ATOM 394 NH1 ARG A 24 11.743 1.782 -9.555 1.00 73.04 N ATOM 395 NH2 ARG A 24 10.808 -0.121 -8.862 1.00 24.31 N ATOM 0 H ARG A 24 8.171 2.779 -4.157 1.00 12.14 H new ATOM 0 HA ARG A 24 10.028 4.691 -4.938 1.00 2.03 H new ATOM 0 HB2 ARG A 24 9.303 2.538 -6.119 1.00 51.32 H new ATOM 0 HB3 ARG A 24 7.885 3.398 -6.686 1.00 51.32 H new ATOM 0 HG2 ARG A 24 9.468 5.090 -7.761 1.00 11.40 H new ATOM 0 HG3 ARG A 24 10.786 4.008 -7.358 1.00 11.40 H new ATOM 0 HD2 ARG A 24 8.426 3.417 -9.187 1.00 14.31 H new ATOM 0 HD3 ARG A 24 10.104 3.599 -9.657 1.00 14.31 H new ATOM 0 HE ARG A 24 8.903 1.265 -8.254 1.00 2.33 H new ATOM 0 HH11 ARG A 24 11.696 2.791 -9.700 1.00 73.04 H new ATOM 0 HH12 ARG A 24 12.581 1.266 -9.823 1.00 73.04 H new ATOM 0 HH21 ARG A 24 10.019 -0.625 -8.457 1.00 24.31 H new ATOM 0 HH22 ARG A 24 11.651 -0.627 -9.134 1.00 24.31 H new ATOM 409 N GLN A 25 6.891 5.668 -5.396 1.00 52.24 N ATOM 410 CA GLN A 25 6.035 6.836 -5.625 1.00 10.55 C ATOM 411 C GLN A 25 6.083 7.813 -4.438 1.00 53.44 C ATOM 412 O GLN A 25 6.226 9.022 -4.623 1.00 34.53 O ATOM 413 CB GLN A 25 4.588 6.388 -5.875 1.00 3.42 C ATOM 414 CG GLN A 25 4.426 5.498 -7.105 1.00 41.32 C ATOM 415 CD GLN A 25 2.995 5.018 -7.301 1.00 43.51 C ATOM 416 OE1 GLN A 25 2.197 5.657 -7.978 1.00 24.51 O ATOM 417 NE2 GLN A 25 2.660 3.884 -6.712 1.00 30.43 N ATOM 0 H GLN A 25 6.380 4.807 -5.203 1.00 52.24 H new ATOM 0 HA GLN A 25 6.412 7.357 -6.505 1.00 10.55 H new ATOM 0 HB2 GLN A 25 4.227 5.851 -4.998 1.00 3.42 H new ATOM 0 HB3 GLN A 25 3.958 7.270 -5.990 1.00 3.42 H new ATOM 0 HG2 GLN A 25 4.744 6.048 -7.990 1.00 41.32 H new ATOM 0 HG3 GLN A 25 5.085 4.634 -7.012 1.00 41.32 H new ATOM 0 HE21 GLN A 25 3.347 3.376 -6.155 1.00 30.43 H new ATOM 0 HE22 GLN A 25 1.714 3.516 -6.814 1.00 30.43 H new ATOM 426 N ALA A 26 5.975 7.279 -3.222 1.00 61.25 N ATOM 427 CA ALA A 26 6.006 8.104 -2.005 1.00 55.45 C ATOM 428 C ALA A 26 7.298 8.931 -1.895 1.00 24.35 C ATOM 429 O ALA A 26 7.285 10.058 -1.397 1.00 71.41 O ATOM 430 CB ALA A 26 5.833 7.228 -0.773 1.00 31.15 C ATOM 0 H ALA A 26 5.865 6.280 -3.049 1.00 61.25 H new ATOM 0 HA ALA A 26 5.177 8.808 -2.068 1.00 55.45 H new ATOM 0 HB1 ALA A 26 5.858 7.850 0.122 1.00 31.15 H new ATOM 0 HB2 ALA A 26 4.876 6.708 -0.828 1.00 31.15 H new ATOM 0 HB3 ALA A 26 6.641 6.498 -0.730 1.00 31.15 H new ATOM 436 N ARG A 27 8.411 8.362 -2.358 1.00 73.13 N ATOM 437 CA ARG A 27 9.704 9.064 -2.373 1.00 32.22 C ATOM 438 C ARG A 27 9.644 10.368 -3.189 1.00 75.41 C ATOM 439 O ARG A 27 10.389 11.309 -2.918 1.00 43.43 O ATOM 440 CB ARG A 27 10.810 8.142 -2.916 1.00 74.33 C ATOM 441 CG ARG A 27 11.234 7.052 -1.932 1.00 23.11 C ATOM 442 CD ARG A 27 12.301 6.131 -2.522 1.00 21.14 C ATOM 443 NE ARG A 27 12.855 5.217 -1.523 1.00 61.10 N ATOM 444 CZ ARG A 27 13.621 4.195 -1.803 1.00 40.41 C ATOM 445 NH1 ARG A 27 13.844 3.851 -3.033 1.00 35.15 N ATOM 446 NH2 ARG A 27 14.144 3.498 -0.846 1.00 53.53 N ATOM 0 H ARG A 27 8.448 7.413 -2.730 1.00 73.13 H new ATOM 0 HA ARG A 27 9.939 9.334 -1.344 1.00 32.22 H new ATOM 0 HB2 ARG A 27 10.462 7.674 -3.837 1.00 74.33 H new ATOM 0 HB3 ARG A 27 11.680 8.745 -3.175 1.00 74.33 H new ATOM 0 HG2 ARG A 27 11.617 7.514 -1.022 1.00 23.11 H new ATOM 0 HG3 ARG A 27 10.363 6.462 -1.647 1.00 23.11 H new ATOM 0 HD2 ARG A 27 11.869 5.554 -3.340 1.00 21.14 H new ATOM 0 HD3 ARG A 27 13.104 6.733 -2.946 1.00 21.14 H new ATOM 0 HE ARG A 27 12.629 5.388 -0.543 1.00 61.10 H new ATOM 0 HH11 ARG A 27 13.420 4.380 -3.795 1.00 35.15 H new ATOM 0 HH12 ARG A 27 14.444 3.052 -3.238 1.00 35.15 H new ATOM 0 HH21 ARG A 27 13.958 3.746 0.126 1.00 53.53 H new ATOM 0 HH22 ARG A 27 14.742 2.701 -1.064 1.00 53.53 H new ATOM 460 N LYS A 28 8.767 10.417 -4.193 1.00 72.14 N ATOM 461 CA LYS A 28 8.575 11.640 -4.989 1.00 21.14 C ATOM 462 C LYS A 28 7.970 12.769 -4.138 1.00 15.35 C ATOM 463 O LYS A 28 8.267 13.949 -4.340 1.00 24.33 O ATOM 464 CB LYS A 28 7.659 11.362 -6.191 1.00 52.41 C ATOM 465 CG LYS A 28 8.185 10.300 -7.150 1.00 74.12 C ATOM 466 CD LYS A 28 7.234 10.078 -8.325 1.00 25.03 C ATOM 467 CE LYS A 28 7.093 11.329 -9.191 1.00 1.21 C ATOM 468 NZ LYS A 28 8.357 11.663 -9.902 1.00 61.32 N ATOM 0 H LYS A 28 8.180 9.632 -4.476 1.00 72.14 H new ATOM 0 HA LYS A 28 9.555 11.957 -5.345 1.00 21.14 H new ATOM 0 HB2 LYS A 28 6.681 11.050 -5.823 1.00 52.41 H new ATOM 0 HB3 LYS A 28 7.511 12.291 -6.742 1.00 52.41 H new ATOM 0 HG2 LYS A 28 9.163 10.601 -7.525 1.00 74.12 H new ATOM 0 HG3 LYS A 28 8.325 9.362 -6.613 1.00 74.12 H new ATOM 0 HD2 LYS A 28 7.600 9.253 -8.936 1.00 25.03 H new ATOM 0 HD3 LYS A 28 6.254 9.786 -7.948 1.00 25.03 H new ATOM 0 HE2 LYS A 28 6.297 11.177 -9.920 1.00 1.21 H new ATOM 0 HE3 LYS A 28 6.796 12.171 -8.565 1.00 1.21 H new ATOM 0 HZ1 LYS A 28 8.185 12.444 -10.567 1.00 61.32 H new ATOM 0 HZ2 LYS A 28 9.079 11.949 -9.210 1.00 61.32 H new ATOM 0 HZ3 LYS A 28 8.691 10.829 -10.427 1.00 61.32 H new ATOM 482 N PHE A 29 7.118 12.396 -3.187 1.00 52.40 N ATOM 483 CA PHE A 29 6.420 13.363 -2.333 1.00 61.10 C ATOM 484 C PHE A 29 7.148 13.556 -0.991 1.00 72.13 C ATOM 485 O PHE A 29 8.204 12.966 -0.750 1.00 21.41 O ATOM 486 CB PHE A 29 4.977 12.895 -2.084 1.00 63.30 C ATOM 487 CG PHE A 29 4.207 12.607 -3.351 1.00 53.13 C ATOM 488 CD1 PHE A 29 3.709 13.643 -4.131 1.00 12.40 C ATOM 489 CD2 PHE A 29 3.986 11.299 -3.764 1.00 60.32 C ATOM 490 CE1 PHE A 29 3.008 13.380 -5.293 1.00 24.10 C ATOM 491 CE2 PHE A 29 3.284 11.032 -4.924 1.00 15.24 C ATOM 492 CZ PHE A 29 2.796 12.074 -5.689 1.00 23.41 C ATOM 0 H PHE A 29 6.890 11.423 -2.984 1.00 52.40 H new ATOM 0 HA PHE A 29 6.408 14.322 -2.850 1.00 61.10 H new ATOM 0 HB2 PHE A 29 4.997 11.996 -1.469 1.00 63.30 H new ATOM 0 HB3 PHE A 29 4.449 13.660 -1.514 1.00 63.30 H new ATOM 0 HD1 PHE A 29 3.871 14.666 -3.826 1.00 12.40 H new ATOM 0 HD2 PHE A 29 4.368 10.481 -3.171 1.00 60.32 H new ATOM 0 HE1 PHE A 29 2.627 14.195 -5.890 1.00 24.10 H new ATOM 0 HE2 PHE A 29 3.117 10.010 -5.232 1.00 15.24 H new ATOM 0 HZ PHE A 29 2.249 11.867 -6.597 1.00 23.41 H new ATOM 502 N ALA A 30 6.577 14.385 -0.119 1.00 30.40 N ATOM 503 CA ALA A 30 7.169 14.657 1.201 1.00 2.44 C ATOM 504 C ALA A 30 6.722 13.633 2.262 1.00 14.05 C ATOM 505 O ALA A 30 7.071 13.751 3.439 1.00 72.13 O ATOM 506 CB ALA A 30 6.806 16.070 1.645 1.00 52.31 C ATOM 0 H ALA A 30 5.705 14.883 -0.297 1.00 30.40 H new ATOM 0 HA ALA A 30 8.251 14.567 1.104 1.00 2.44 H new ATOM 0 HB1 ALA A 30 7.246 16.268 2.622 1.00 52.31 H new ATOM 0 HB2 ALA A 30 7.191 16.789 0.921 1.00 52.31 H new ATOM 0 HB3 ALA A 30 5.722 16.164 1.709 1.00 52.31 H new ATOM 512 N GLY A 31 5.959 12.626 1.841 1.00 15.44 N ATOM 513 CA GLY A 31 5.437 11.630 2.775 1.00 50.32 C ATOM 514 C GLY A 31 6.444 10.541 3.142 1.00 12.12 C ATOM 515 O GLY A 31 7.417 10.304 2.420 1.00 30.10 O ATOM 0 H GLY A 31 5.690 12.478 0.868 1.00 15.44 H new ATOM 0 HA2 GLY A 31 5.113 12.134 3.686 1.00 50.32 H new ATOM 0 HA3 GLY A 31 4.554 11.163 2.338 1.00 50.32 H new ATOM 519 N THR A 32 6.204 9.869 4.266 1.00 51.34 N ATOM 520 CA THR A 32 7.077 8.777 4.734 1.00 52.01 C ATOM 521 C THR A 32 6.298 7.457 4.822 1.00 51.32 C ATOM 522 O THR A 32 5.113 7.448 5.159 1.00 41.01 O ATOM 523 CB THR A 32 7.702 9.093 6.121 1.00 42.40 C ATOM 524 OG1 THR A 32 8.425 10.334 6.068 1.00 15.51 O ATOM 525 CG2 THR A 32 8.650 7.984 6.575 1.00 1.00 C ATOM 0 H THR A 32 5.410 10.058 4.877 1.00 51.34 H new ATOM 0 HA THR A 32 7.881 8.680 4.005 1.00 52.01 H new ATOM 0 HB THR A 32 6.884 9.167 6.838 1.00 42.40 H new ATOM 0 HG1 THR A 32 8.813 10.524 6.948 1.00 15.51 H new ATOM 0 HG21 THR A 32 9.068 8.239 7.549 1.00 1.00 H new ATOM 0 HG22 THR A 32 8.102 7.045 6.650 1.00 1.00 H new ATOM 0 HG23 THR A 32 9.457 7.876 5.850 1.00 1.00 H new ATOM 533 N VAL A 33 6.963 6.343 4.510 1.00 13.45 N ATOM 534 CA VAL A 33 6.316 5.024 4.511 1.00 31.42 C ATOM 535 C VAL A 33 6.946 4.074 5.540 1.00 1.20 C ATOM 536 O VAL A 33 8.155 3.834 5.520 1.00 20.14 O ATOM 537 CB VAL A 33 6.394 4.358 3.112 1.00 71.42 C ATOM 538 CG1 VAL A 33 5.724 2.984 3.116 1.00 14.34 C ATOM 539 CG2 VAL A 33 5.776 5.261 2.047 1.00 15.22 C ATOM 0 H VAL A 33 7.950 6.325 4.253 1.00 13.45 H new ATOM 0 HA VAL A 33 5.274 5.198 4.780 1.00 31.42 H new ATOM 0 HB VAL A 33 7.447 4.214 2.868 1.00 71.42 H new ATOM 0 HG11 VAL A 33 5.794 2.542 2.122 1.00 14.34 H new ATOM 0 HG12 VAL A 33 6.224 2.337 3.837 1.00 14.34 H new ATOM 0 HG13 VAL A 33 4.675 3.092 3.392 1.00 14.34 H new ATOM 0 HG21 VAL A 33 5.842 4.774 1.074 1.00 15.22 H new ATOM 0 HG22 VAL A 33 4.730 5.447 2.290 1.00 15.22 H new ATOM 0 HG23 VAL A 33 6.315 6.208 2.016 1.00 15.22 H new ATOM 549 N THR A 34 6.120 3.537 6.434 1.00 10.52 N ATOM 550 CA THR A 34 6.554 2.493 7.374 1.00 34.21 C ATOM 551 C THR A 34 5.759 1.203 7.147 1.00 54.42 C ATOM 552 O THR A 34 4.598 1.247 6.739 1.00 34.22 O ATOM 553 CB THR A 34 6.399 2.940 8.850 1.00 43.31 C ATOM 554 OG1 THR A 34 6.845 1.898 9.732 1.00 43.24 O ATOM 555 CG2 THR A 34 4.952 3.300 9.179 1.00 63.43 C ATOM 0 H THR A 34 5.141 3.805 6.532 1.00 10.52 H new ATOM 0 HA THR A 34 7.612 2.312 7.183 1.00 34.21 H new ATOM 0 HB THR A 34 7.013 3.830 8.990 1.00 43.31 H new ATOM 0 HG1 THR A 34 6.745 2.191 10.662 1.00 43.24 H new ATOM 0 HG21 THR A 34 4.882 3.609 10.222 1.00 63.43 H new ATOM 0 HG22 THR A 34 4.625 4.117 8.536 1.00 63.43 H new ATOM 0 HG23 THR A 34 4.314 2.431 9.014 1.00 63.43 H new ATOM 563 N TYR A 35 6.381 0.053 7.398 1.00 73.20 N ATOM 564 CA TYR A 35 5.724 -1.238 7.162 1.00 22.00 C ATOM 565 C TYR A 35 6.234 -2.330 8.115 1.00 63.40 C ATOM 566 O TYR A 35 7.434 -2.432 8.384 1.00 31.45 O ATOM 567 CB TYR A 35 5.917 -1.679 5.701 1.00 60.11 C ATOM 568 CG TYR A 35 7.370 -1.847 5.278 1.00 73.43 C ATOM 569 CD1 TYR A 35 8.091 -0.777 4.758 1.00 11.31 C ATOM 570 CD2 TYR A 35 8.014 -3.077 5.392 1.00 53.23 C ATOM 571 CE1 TYR A 35 9.408 -0.927 4.367 1.00 14.21 C ATOM 572 CE2 TYR A 35 9.330 -3.233 5.002 1.00 41.34 C ATOM 573 CZ TYR A 35 10.022 -2.156 4.492 1.00 15.14 C ATOM 574 OH TYR A 35 11.334 -2.308 4.101 1.00 32.31 O ATOM 0 H TYR A 35 7.331 -0.015 7.762 1.00 73.20 H new ATOM 0 HA TYR A 35 4.661 -1.100 7.360 1.00 22.00 H new ATOM 0 HB2 TYR A 35 5.396 -2.624 5.548 1.00 60.11 H new ATOM 0 HB3 TYR A 35 5.444 -0.945 5.048 1.00 60.11 H new ATOM 0 HD1 TYR A 35 7.614 0.187 4.658 1.00 11.31 H new ATOM 0 HD2 TYR A 35 7.475 -3.923 5.792 1.00 53.23 H new ATOM 0 HE1 TYR A 35 9.954 -0.086 3.965 1.00 14.21 H new ATOM 0 HE2 TYR A 35 9.814 -4.194 5.096 1.00 41.34 H new ATOM 0 HH TYR A 35 11.616 -3.234 4.256 1.00 32.31 H new ATOM 584 N THR A 36 5.309 -3.143 8.623 1.00 25.32 N ATOM 585 CA THR A 36 5.647 -4.276 9.497 1.00 41.34 C ATOM 586 C THR A 36 5.094 -5.589 8.926 1.00 2.02 C ATOM 587 O THR A 36 3.880 -5.738 8.747 1.00 54.22 O ATOM 588 CB THR A 36 5.080 -4.080 10.926 1.00 42.12 C ATOM 589 OG1 THR A 36 3.646 -4.034 10.886 1.00 0.45 O ATOM 590 CG2 THR A 36 5.612 -2.801 11.565 1.00 2.42 C ATOM 0 H THR A 36 4.310 -3.040 8.445 1.00 25.32 H new ATOM 0 HA THR A 36 6.735 -4.323 9.548 1.00 41.34 H new ATOM 0 HB THR A 36 5.404 -4.927 11.531 1.00 42.12 H new ATOM 0 HG1 THR A 36 3.314 -4.712 10.261 1.00 0.45 H new ATOM 0 HG21 THR A 36 5.195 -2.694 12.566 1.00 2.42 H new ATOM 0 HG22 THR A 36 6.699 -2.851 11.628 1.00 2.42 H new ATOM 0 HG23 THR A 36 5.323 -1.943 10.958 1.00 2.42 H new ATOM 598 N LEU A 37 5.980 -6.539 8.638 1.00 42.14 N ATOM 599 CA LEU A 37 5.575 -7.830 8.069 1.00 62.14 C ATOM 600 C LEU A 37 5.362 -8.892 9.165 1.00 14.14 C ATOM 601 O LEU A 37 6.319 -9.462 9.695 1.00 50.24 O ATOM 602 CB LEU A 37 6.619 -8.321 7.052 1.00 62.31 C ATOM 603 CG LEU A 37 6.298 -9.672 6.384 1.00 74.14 C ATOM 604 CD1 LEU A 37 4.970 -9.608 5.628 1.00 1.41 C ATOM 605 CD2 LEU A 37 7.432 -10.098 5.454 1.00 64.25 C ATOM 0 H LEU A 37 6.984 -6.443 8.788 1.00 42.14 H new ATOM 0 HA LEU A 37 4.623 -7.680 7.559 1.00 62.14 H new ATOM 0 HB2 LEU A 37 6.728 -7.566 6.274 1.00 62.31 H new ATOM 0 HB3 LEU A 37 7.583 -8.402 7.555 1.00 62.31 H new ATOM 0 HG LEU A 37 6.201 -10.422 7.169 1.00 74.14 H new ATOM 0 HD11 LEU A 37 4.767 -10.574 5.166 1.00 1.41 H new ATOM 0 HD12 LEU A 37 4.167 -9.363 6.323 1.00 1.41 H new ATOM 0 HD13 LEU A 37 5.028 -8.841 4.855 1.00 1.41 H new ATOM 0 HD21 LEU A 37 7.185 -11.054 4.993 1.00 64.25 H new ATOM 0 HD22 LEU A 37 7.568 -9.345 4.678 1.00 64.25 H new ATOM 0 HD23 LEU A 37 8.354 -10.199 6.027 1.00 64.25 H new ATOM 617 N ASP A 38 4.099 -9.141 9.502 1.00 50.01 N ATOM 618 CA ASP A 38 3.734 -10.151 10.501 1.00 25.11 C ATOM 619 C ASP A 38 3.300 -11.462 9.819 1.00 15.11 C ATOM 620 O ASP A 38 2.156 -11.604 9.381 1.00 55.21 O ATOM 621 CB ASP A 38 2.609 -9.608 11.393 1.00 24.32 C ATOM 622 CG ASP A 38 2.282 -10.530 12.555 1.00 14.03 C ATOM 623 OD1 ASP A 38 3.000 -10.485 13.578 1.00 74.22 O ATOM 624 OD2 ASP A 38 1.307 -11.303 12.458 1.00 73.04 O ATOM 0 H ASP A 38 3.301 -8.653 9.095 1.00 50.01 H new ATOM 0 HA ASP A 38 4.605 -10.369 11.119 1.00 25.11 H new ATOM 0 HB2 ASP A 38 2.898 -8.631 11.781 1.00 24.32 H new ATOM 0 HB3 ASP A 38 1.713 -9.459 10.790 1.00 24.32 H new ATOM 629 N GLY A 39 4.232 -12.407 9.708 1.00 64.14 N ATOM 630 CA GLY A 39 3.942 -13.687 9.068 1.00 30.52 C ATOM 631 C GLY A 39 3.634 -13.557 7.575 1.00 43.42 C ATOM 632 O GLY A 39 4.536 -13.611 6.740 1.00 11.35 O ATOM 0 H GLY A 39 5.188 -12.311 10.051 1.00 64.14 H new ATOM 0 HA2 GLY A 39 4.794 -14.353 9.200 1.00 30.52 H new ATOM 0 HA3 GLY A 39 3.093 -14.152 9.569 1.00 30.52 H new ATOM 636 N ASN A 40 2.355 -13.376 7.241 1.00 71.12 N ATOM 637 CA ASN A 40 1.923 -13.222 5.842 1.00 62.44 C ATOM 638 C ASN A 40 1.241 -11.864 5.620 1.00 54.35 C ATOM 639 O ASN A 40 0.826 -11.539 4.504 1.00 32.13 O ATOM 640 CB ASN A 40 0.961 -14.353 5.458 1.00 32.53 C ATOM 641 CG ASN A 40 1.603 -15.724 5.563 1.00 53.35 C ATOM 642 OD1 ASN A 40 2.204 -16.215 4.615 1.00 3.20 O ATOM 643 ND2 ASN A 40 1.477 -16.355 6.714 1.00 73.50 N ATOM 0 H ASN A 40 1.595 -13.332 7.919 1.00 71.12 H new ATOM 0 HA ASN A 40 2.809 -13.270 5.209 1.00 62.44 H new ATOM 0 HB2 ASN A 40 0.085 -14.315 6.105 1.00 32.53 H new ATOM 0 HB3 ASN A 40 0.611 -14.197 4.438 1.00 32.53 H new ATOM 0 HD21 ASN A 40 1.887 -17.281 6.835 1.00 73.50 H new ATOM 0 HD22 ASN A 40 0.970 -15.917 7.483 1.00 73.50 H new ATOM 650 N ASP A 41 1.131 -11.078 6.689 1.00 51.12 N ATOM 651 CA ASP A 41 0.463 -9.775 6.637 1.00 71.43 C ATOM 652 C ASP A 41 1.479 -8.623 6.661 1.00 22.42 C ATOM 653 O ASP A 41 2.270 -8.496 7.594 1.00 75.40 O ATOM 654 CB ASP A 41 -0.494 -9.639 7.830 1.00 61.21 C ATOM 655 CG ASP A 41 -1.580 -10.702 7.835 1.00 22.42 C ATOM 656 OD1 ASP A 41 -1.249 -11.903 7.923 1.00 2.54 O ATOM 657 OD2 ASP A 41 -2.776 -10.343 7.778 1.00 21.14 O ATOM 0 H ASP A 41 1.498 -11.321 7.609 1.00 51.12 H new ATOM 0 HA ASP A 41 -0.095 -9.718 5.702 1.00 71.43 H new ATOM 0 HB2 ASP A 41 0.076 -9.703 8.757 1.00 61.21 H new ATOM 0 HB3 ASP A 41 -0.957 -8.652 7.808 1.00 61.21 H new ATOM 662 N LEU A 42 1.446 -7.783 5.635 1.00 4.53 N ATOM 663 CA LEU A 42 2.302 -6.599 5.567 1.00 34.13 C ATOM 664 C LEU A 42 1.496 -5.329 5.878 1.00 2.12 C ATOM 665 O LEU A 42 0.776 -4.805 5.025 1.00 32.32 O ATOM 666 CB LEU A 42 2.952 -6.491 4.177 1.00 73.42 C ATOM 667 CG LEU A 42 3.846 -5.257 3.967 1.00 23.24 C ATOM 668 CD1 LEU A 42 5.011 -5.259 4.952 1.00 72.53 C ATOM 669 CD2 LEU A 42 4.350 -5.191 2.527 1.00 71.51 C ATOM 0 H LEU A 42 0.831 -7.899 4.830 1.00 4.53 H new ATOM 0 HA LEU A 42 3.088 -6.699 6.316 1.00 34.13 H new ATOM 0 HB2 LEU A 42 3.549 -7.386 4.002 1.00 73.42 H new ATOM 0 HB3 LEU A 42 2.164 -6.481 3.424 1.00 73.42 H new ATOM 0 HG LEU A 42 3.246 -4.367 4.155 1.00 23.24 H new ATOM 0 HD11 LEU A 42 5.630 -4.377 4.785 1.00 72.53 H new ATOM 0 HD12 LEU A 42 4.626 -5.244 5.971 1.00 72.53 H new ATOM 0 HD13 LEU A 42 5.611 -6.157 4.804 1.00 72.53 H new ATOM 0 HD21 LEU A 42 4.980 -4.310 2.402 1.00 71.51 H new ATOM 0 HD22 LEU A 42 4.930 -6.087 2.303 1.00 71.51 H new ATOM 0 HD23 LEU A 42 3.501 -5.129 1.847 1.00 71.51 H new ATOM 681 N GLU A 43 1.607 -4.851 7.113 1.00 14.22 N ATOM 682 CA GLU A 43 0.903 -3.640 7.540 1.00 44.21 C ATOM 683 C GLU A 43 1.706 -2.376 7.187 1.00 15.23 C ATOM 684 O GLU A 43 2.706 -2.062 7.832 1.00 63.14 O ATOM 685 CB GLU A 43 0.631 -3.683 9.053 1.00 21.34 C ATOM 686 CG GLU A 43 -0.214 -4.874 9.498 1.00 55.12 C ATOM 687 CD GLU A 43 -0.544 -4.830 10.984 1.00 23.13 C ATOM 688 OE1 GLU A 43 -1.584 -4.236 11.350 1.00 72.34 O ATOM 689 OE2 GLU A 43 0.242 -5.363 11.797 1.00 64.43 O ATOM 0 H GLU A 43 2.178 -5.282 7.840 1.00 14.22 H new ATOM 0 HA GLU A 43 -0.047 -3.602 7.007 1.00 44.21 H new ATOM 0 HB2 GLU A 43 1.583 -3.708 9.582 1.00 21.34 H new ATOM 0 HB3 GLU A 43 0.127 -2.763 9.348 1.00 21.34 H new ATOM 0 HG2 GLU A 43 -1.140 -4.894 8.924 1.00 55.12 H new ATOM 0 HG3 GLU A 43 0.319 -5.798 9.274 1.00 55.12 H new ATOM 696 N ILE A 44 1.268 -1.669 6.148 1.00 4.00 N ATOM 697 CA ILE A 44 1.934 -0.437 5.703 1.00 22.01 C ATOM 698 C ILE A 44 1.151 0.813 6.139 1.00 72.10 C ATOM 699 O ILE A 44 -0.072 0.851 6.040 1.00 73.54 O ATOM 700 CB ILE A 44 2.083 -0.405 4.158 1.00 3.53 C ATOM 701 CG1 ILE A 44 2.793 -1.673 3.656 1.00 30.41 C ATOM 702 CG2 ILE A 44 2.841 0.850 3.711 1.00 40.24 C ATOM 703 CD1 ILE A 44 2.901 -1.754 2.148 1.00 13.42 C ATOM 0 H ILE A 44 0.451 -1.926 5.593 1.00 4.00 H new ATOM 0 HA ILE A 44 2.920 -0.431 6.168 1.00 22.01 H new ATOM 0 HB ILE A 44 1.085 -0.374 3.721 1.00 3.53 H new ATOM 0 HG12 ILE A 44 3.794 -1.712 4.086 1.00 30.41 H new ATOM 0 HG13 ILE A 44 2.255 -2.548 4.020 1.00 30.41 H new ATOM 0 HG21 ILE A 44 2.934 0.852 2.625 1.00 40.24 H new ATOM 0 HG22 ILE A 44 2.295 1.738 4.030 1.00 40.24 H new ATOM 0 HG23 ILE A 44 3.834 0.854 4.160 1.00 40.24 H new ATOM 0 HD11 ILE A 44 3.413 -2.675 1.869 1.00 13.42 H new ATOM 0 HD12 ILE A 44 1.903 -1.747 1.711 1.00 13.42 H new ATOM 0 HD13 ILE A 44 3.465 -0.898 1.777 1.00 13.42 H new ATOM 715 N ARG A 45 1.860 1.824 6.633 1.00 25.13 N ATOM 716 CA ARG A 45 1.257 3.130 6.930 1.00 71.05 C ATOM 717 C ARG A 45 2.015 4.255 6.213 1.00 22.15 C ATOM 718 O ARG A 45 3.196 4.496 6.481 1.00 40.22 O ATOM 719 CB ARG A 45 1.229 3.398 8.443 1.00 2.21 C ATOM 720 CG ARG A 45 0.235 2.528 9.199 1.00 2.34 C ATOM 721 CD ARG A 45 0.160 2.901 10.677 1.00 70.50 C ATOM 722 NE ARG A 45 -0.200 4.307 10.890 1.00 65.14 N ATOM 723 CZ ARG A 45 -1.279 4.707 11.517 1.00 63.41 C ATOM 724 NH1 ARG A 45 -2.210 3.864 11.821 1.00 10.53 N ATOM 725 NH2 ARG A 45 -1.454 5.960 11.775 1.00 23.42 N ATOM 0 H ARG A 45 2.858 1.768 6.839 1.00 25.13 H new ATOM 0 HA ARG A 45 0.230 3.109 6.565 1.00 71.05 H new ATOM 0 HB2 ARG A 45 2.226 3.234 8.851 1.00 2.21 H new ATOM 0 HB3 ARG A 45 0.984 4.446 8.613 1.00 2.21 H new ATOM 0 HG2 ARG A 45 -0.752 2.630 8.749 1.00 2.34 H new ATOM 0 HG3 ARG A 45 0.523 1.481 9.103 1.00 2.34 H new ATOM 0 HD2 ARG A 45 -0.573 2.264 11.171 1.00 70.50 H new ATOM 0 HD3 ARG A 45 1.123 2.702 11.147 1.00 70.50 H new ATOM 0 HE ARG A 45 0.431 5.021 10.526 1.00 65.14 H new ATOM 0 HH11 ARG A 45 -2.108 2.880 11.573 1.00 10.53 H new ATOM 0 HH12 ARG A 45 -3.047 4.183 12.309 1.00 10.53 H new ATOM 0 HH21 ARG A 45 -0.751 6.642 11.491 1.00 23.42 H new ATOM 0 HH22 ARG A 45 -2.295 6.268 12.263 1.00 23.42 H new ATOM 739 N ILE A 46 1.337 4.929 5.289 1.00 23.12 N ATOM 740 CA ILE A 46 1.928 6.050 4.556 1.00 11.54 C ATOM 741 C ILE A 46 1.437 7.391 5.126 1.00 63.23 C ATOM 742 O ILE A 46 0.245 7.711 5.065 1.00 33.52 O ATOM 743 CB ILE A 46 1.601 5.974 3.043 1.00 40.13 C ATOM 744 CG1 ILE A 46 2.024 4.608 2.467 1.00 63.34 C ATOM 745 CG2 ILE A 46 2.286 7.118 2.293 1.00 21.14 C ATOM 746 CD1 ILE A 46 1.715 4.439 0.992 1.00 73.43 C ATOM 0 H ILE A 46 0.374 4.719 5.027 1.00 23.12 H new ATOM 0 HA ILE A 46 3.009 5.984 4.677 1.00 11.54 H new ATOM 0 HB ILE A 46 0.524 6.077 2.913 1.00 40.13 H new ATOM 0 HG12 ILE A 46 3.095 4.476 2.621 1.00 63.34 H new ATOM 0 HG13 ILE A 46 1.522 3.818 3.026 1.00 63.34 H new ATOM 0 HG21 ILE A 46 2.047 7.052 1.232 1.00 21.14 H new ATOM 0 HG22 ILE A 46 1.934 8.072 2.685 1.00 21.14 H new ATOM 0 HG23 ILE A 46 3.365 7.046 2.427 1.00 21.14 H new ATOM 0 HD11 ILE A 46 2.042 3.453 0.662 1.00 73.43 H new ATOM 0 HD12 ILE A 46 0.641 4.537 0.832 1.00 73.43 H new ATOM 0 HD13 ILE A 46 2.239 5.205 0.420 1.00 73.43 H new ATOM 758 N THR A 47 2.361 8.166 5.688 1.00 4.15 N ATOM 759 CA THR A 47 2.024 9.442 6.335 1.00 41.13 C ATOM 760 C THR A 47 2.350 10.640 5.428 1.00 3.34 C ATOM 761 O THR A 47 3.490 10.800 4.990 1.00 20.42 O ATOM 762 CB THR A 47 2.794 9.615 7.671 1.00 40.25 C ATOM 763 OG1 THR A 47 2.648 8.443 8.490 1.00 74.13 O ATOM 764 CG2 THR A 47 2.288 10.832 8.441 1.00 3.55 C ATOM 0 H THR A 47 3.354 7.936 5.711 1.00 4.15 H new ATOM 0 HA THR A 47 0.952 9.416 6.528 1.00 41.13 H new ATOM 0 HB THR A 47 3.847 9.762 7.429 1.00 40.25 H new ATOM 0 HG1 THR A 47 3.140 8.566 9.328 1.00 74.13 H new ATOM 0 HG21 THR A 47 2.844 10.930 9.373 1.00 3.55 H new ATOM 0 HG22 THR A 47 2.430 11.729 7.838 1.00 3.55 H new ATOM 0 HG23 THR A 47 1.228 10.707 8.663 1.00 3.55 H new ATOM 772 N GLY A 48 1.347 11.478 5.153 1.00 11.22 N ATOM 773 CA GLY A 48 1.569 12.688 4.361 1.00 62.32 C ATOM 774 C GLY A 48 1.379 12.476 2.861 1.00 73.11 C ATOM 775 O GLY A 48 2.328 12.594 2.082 1.00 3.34 O ATOM 0 H GLY A 48 0.385 11.343 5.463 1.00 11.22 H new ATOM 0 HA2 GLY A 48 0.884 13.465 4.700 1.00 62.32 H new ATOM 0 HA3 GLY A 48 2.580 13.052 4.544 1.00 62.32 H new ATOM 779 N VAL A 49 0.151 12.164 2.452 1.00 35.31 N ATOM 780 CA VAL A 49 -0.170 11.969 1.032 1.00 12.22 C ATOM 781 C VAL A 49 -1.131 13.051 0.506 1.00 41.40 C ATOM 782 O VAL A 49 -2.132 13.373 1.150 1.00 71.11 O ATOM 783 CB VAL A 49 -0.783 10.567 0.770 1.00 20.11 C ATOM 784 CG1 VAL A 49 0.287 9.481 0.879 1.00 22.23 C ATOM 785 CG2 VAL A 49 -1.934 10.282 1.735 1.00 55.42 C ATOM 0 H VAL A 49 -0.642 12.040 3.082 1.00 35.31 H new ATOM 0 HA VAL A 49 0.774 12.049 0.494 1.00 12.22 H new ATOM 0 HB VAL A 49 -1.181 10.560 -0.245 1.00 20.11 H new ATOM 0 HG11 VAL A 49 -0.164 8.506 0.692 1.00 22.23 H new ATOM 0 HG12 VAL A 49 1.070 9.666 0.143 1.00 22.23 H new ATOM 0 HG13 VAL A 49 0.719 9.495 1.880 1.00 22.23 H new ATOM 0 HG21 VAL A 49 -2.345 9.294 1.529 1.00 55.42 H new ATOM 0 HG22 VAL A 49 -1.566 10.316 2.760 1.00 55.42 H new ATOM 0 HG23 VAL A 49 -2.713 11.033 1.604 1.00 55.42 H new ATOM 795 N PRO A 50 -0.835 13.631 -0.680 1.00 73.32 N ATOM 796 CA PRO A 50 -1.692 14.662 -1.296 1.00 14.44 C ATOM 797 C PRO A 50 -3.075 14.122 -1.708 1.00 0.44 C ATOM 798 O PRO A 50 -3.181 13.149 -2.465 1.00 32.41 O ATOM 799 CB PRO A 50 -0.893 15.100 -2.534 1.00 10.41 C ATOM 800 CG PRO A 50 0.005 13.947 -2.836 1.00 35.45 C ATOM 801 CD PRO A 50 0.354 13.341 -1.504 1.00 10.44 C ATOM 0 HA PRO A 50 -1.907 15.473 -0.601 1.00 14.44 H new ATOM 0 HB2 PRO A 50 -1.553 15.318 -3.374 1.00 10.41 H new ATOM 0 HB3 PRO A 50 -0.320 16.006 -2.335 1.00 10.41 H new ATOM 0 HG2 PRO A 50 -0.493 13.221 -3.478 1.00 35.45 H new ATOM 0 HG3 PRO A 50 0.901 14.276 -3.363 1.00 35.45 H new ATOM 0 HD2 PRO A 50 0.537 12.269 -1.585 1.00 10.44 H new ATOM 0 HD3 PRO A 50 1.255 13.787 -1.082 1.00 10.44 H new ATOM 809 N GLU A 51 -4.129 14.781 -1.228 1.00 31.55 N ATOM 810 CA GLU A 51 -5.513 14.346 -1.471 1.00 22.41 C ATOM 811 C GLU A 51 -5.824 14.181 -2.971 1.00 52.22 C ATOM 812 O GLU A 51 -6.586 13.293 -3.358 1.00 4.44 O ATOM 813 CB GLU A 51 -6.491 15.344 -0.830 1.00 32.35 C ATOM 814 CG GLU A 51 -6.436 16.740 -1.443 1.00 75.43 C ATOM 815 CD GLU A 51 -7.042 17.809 -0.549 1.00 42.25 C ATOM 816 OE1 GLU A 51 -8.282 17.957 -0.536 1.00 64.05 O ATOM 817 OE2 GLU A 51 -6.275 18.517 0.135 1.00 72.13 O ATOM 0 H GLU A 51 -4.054 15.627 -0.663 1.00 31.55 H new ATOM 0 HA GLU A 51 -5.634 13.364 -1.012 1.00 22.41 H new ATOM 0 HB2 GLU A 51 -7.505 14.956 -0.924 1.00 32.35 H new ATOM 0 HB3 GLU A 51 -6.275 15.417 0.236 1.00 32.35 H new ATOM 0 HG2 GLU A 51 -5.398 16.997 -1.654 1.00 75.43 H new ATOM 0 HG3 GLU A 51 -6.962 16.732 -2.397 1.00 75.43 H new ATOM 824 N GLN A 52 -5.228 15.027 -3.811 1.00 5.51 N ATOM 825 CA GLN A 52 -5.452 14.952 -5.264 1.00 20.53 C ATOM 826 C GLN A 52 -4.935 13.626 -5.854 1.00 1.22 C ATOM 827 O GLN A 52 -5.583 13.023 -6.710 1.00 34.31 O ATOM 828 CB GLN A 52 -4.794 16.144 -5.979 1.00 10.41 C ATOM 829 CG GLN A 52 -3.277 16.233 -5.801 1.00 65.31 C ATOM 830 CD GLN A 52 -2.667 17.427 -6.523 1.00 14.20 C ATOM 831 OE1 GLN A 52 -3.315 18.453 -6.707 1.00 52.14 O ATOM 832 NE2 GLN A 52 -1.414 17.320 -6.917 1.00 0.22 N ATOM 0 H GLN A 52 -4.591 15.768 -3.519 1.00 5.51 H new ATOM 0 HA GLN A 52 -6.529 14.993 -5.428 1.00 20.53 H new ATOM 0 HB2 GLN A 52 -5.019 16.082 -7.044 1.00 10.41 H new ATOM 0 HB3 GLN A 52 -5.245 17.066 -5.611 1.00 10.41 H new ATOM 0 HG2 GLN A 52 -3.044 16.299 -4.738 1.00 65.31 H new ATOM 0 HG3 GLN A 52 -2.818 15.317 -6.172 1.00 65.31 H new ATOM 0 HE21 GLN A 52 -0.899 16.455 -6.751 1.00 0.22 H new ATOM 0 HE22 GLN A 52 -0.959 18.102 -7.388 1.00 0.22 H new ATOM 841 N VAL A 53 -3.778 13.169 -5.375 1.00 4.11 N ATOM 842 CA VAL A 53 -3.161 11.932 -5.873 1.00 50.52 C ATOM 843 C VAL A 53 -3.693 10.695 -5.125 1.00 73.12 C ATOM 844 O VAL A 53 -3.595 9.569 -5.617 1.00 52.32 O ATOM 845 CB VAL A 53 -1.613 11.991 -5.749 1.00 21.14 C ATOM 846 CG1 VAL A 53 -0.960 10.709 -6.275 1.00 3.02 C ATOM 847 CG2 VAL A 53 -1.062 13.214 -6.484 1.00 20.41 C ATOM 0 H VAL A 53 -3.245 13.636 -4.641 1.00 4.11 H new ATOM 0 HA VAL A 53 -3.430 11.843 -6.926 1.00 50.52 H new ATOM 0 HB VAL A 53 -1.368 12.079 -4.691 1.00 21.14 H new ATOM 0 HG11 VAL A 53 0.123 10.784 -6.173 1.00 3.02 H new ATOM 0 HG12 VAL A 53 -1.320 9.855 -5.701 1.00 3.02 H new ATOM 0 HG13 VAL A 53 -1.217 10.574 -7.326 1.00 3.02 H new ATOM 0 HG21 VAL A 53 0.023 13.239 -6.386 1.00 20.41 H new ATOM 0 HG22 VAL A 53 -1.330 13.156 -7.539 1.00 20.41 H new ATOM 0 HG23 VAL A 53 -1.486 14.120 -6.051 1.00 20.41 H new ATOM 857 N ARG A 54 -4.275 10.919 -3.947 1.00 2.40 N ATOM 858 CA ARG A 54 -4.807 9.832 -3.109 1.00 25.14 C ATOM 859 C ARG A 54 -5.702 8.860 -3.909 1.00 50.21 C ATOM 860 O ARG A 54 -5.688 7.653 -3.667 1.00 0.41 O ATOM 861 CB ARG A 54 -5.594 10.421 -1.929 1.00 13.22 C ATOM 862 CG ARG A 54 -6.160 9.371 -0.973 1.00 23.14 C ATOM 863 CD ARG A 54 -6.996 9.999 0.140 1.00 22.30 C ATOM 864 NE ARG A 54 -8.115 10.779 -0.390 1.00 63.14 N ATOM 865 CZ ARG A 54 -9.302 10.833 0.151 1.00 34.22 C ATOM 866 NH1 ARG A 54 -9.587 10.124 1.197 1.00 1.23 N ATOM 867 NH2 ARG A 54 -10.208 11.592 -0.372 1.00 30.33 N ATOM 0 H ARG A 54 -4.393 11.849 -3.545 1.00 2.40 H new ATOM 0 HA ARG A 54 -3.957 9.259 -2.738 1.00 25.14 H new ATOM 0 HB2 ARG A 54 -4.942 11.093 -1.370 1.00 13.22 H new ATOM 0 HB3 ARG A 54 -6.415 11.024 -2.318 1.00 13.22 H new ATOM 0 HG2 ARG A 54 -6.774 8.665 -1.533 1.00 23.14 H new ATOM 0 HG3 ARG A 54 -5.341 8.802 -0.533 1.00 23.14 H new ATOM 0 HD2 ARG A 54 -7.378 9.215 0.793 1.00 22.30 H new ATOM 0 HD3 ARG A 54 -6.362 10.642 0.751 1.00 22.30 H new ATOM 0 HE ARG A 54 -7.957 11.318 -1.241 1.00 63.14 H new ATOM 0 HH11 ARG A 54 -8.880 9.514 1.608 1.00 1.23 H new ATOM 0 HH12 ARG A 54 -10.518 10.176 1.610 1.00 1.23 H new ATOM 0 HH21 ARG A 54 -9.994 12.144 -1.202 1.00 30.33 H new ATOM 0 HH22 ARG A 54 -11.137 11.639 0.046 1.00 30.33 H new ATOM 881 N LYS A 55 -6.469 9.391 -4.861 1.00 24.43 N ATOM 882 CA LYS A 55 -7.327 8.559 -5.719 1.00 34.32 C ATOM 883 C LYS A 55 -6.497 7.558 -6.546 1.00 24.33 C ATOM 884 O LYS A 55 -6.873 6.392 -6.692 1.00 22.50 O ATOM 885 CB LYS A 55 -8.178 9.447 -6.645 1.00 10.23 C ATOM 886 CG LYS A 55 -7.370 10.291 -7.633 1.00 40.21 C ATOM 887 CD LYS A 55 -8.274 11.086 -8.575 1.00 0.12 C ATOM 888 CE LYS A 55 -9.048 12.183 -7.847 1.00 65.23 C ATOM 889 NZ LYS A 55 -8.159 13.296 -7.414 1.00 30.22 N ATOM 0 H LYS A 55 -6.517 10.390 -5.061 1.00 24.43 H new ATOM 0 HA LYS A 55 -7.990 7.985 -5.072 1.00 34.32 H new ATOM 0 HB2 LYS A 55 -8.865 8.813 -7.205 1.00 10.23 H new ATOM 0 HB3 LYS A 55 -8.786 10.112 -6.032 1.00 10.23 H new ATOM 0 HG2 LYS A 55 -6.726 10.977 -7.083 1.00 40.21 H new ATOM 0 HG3 LYS A 55 -6.718 9.641 -8.217 1.00 40.21 H new ATOM 0 HD2 LYS A 55 -7.669 11.533 -9.364 1.00 0.12 H new ATOM 0 HD3 LYS A 55 -8.977 10.408 -9.058 1.00 0.12 H new ATOM 0 HE2 LYS A 55 -9.826 12.574 -8.502 1.00 65.23 H new ATOM 0 HE3 LYS A 55 -9.548 11.758 -6.977 1.00 65.23 H new ATOM 0 HZ1 LYS A 55 -8.375 13.550 -6.429 1.00 30.22 H new ATOM 0 HZ2 LYS A 55 -7.166 12.995 -7.484 1.00 30.22 H new ATOM 0 HZ3 LYS A 55 -8.314 14.122 -8.026 1.00 30.22 H new ATOM 903 N GLU A 56 -5.359 8.015 -7.065 1.00 70.45 N ATOM 904 CA GLU A 56 -4.449 7.154 -7.827 1.00 61.24 C ATOM 905 C GLU A 56 -3.766 6.127 -6.912 1.00 34.43 C ATOM 906 O GLU A 56 -3.534 4.985 -7.309 1.00 3.30 O ATOM 907 CB GLU A 56 -3.396 8.003 -8.552 1.00 40.50 C ATOM 908 CG GLU A 56 -3.953 8.809 -9.722 1.00 12.12 C ATOM 909 CD GLU A 56 -4.395 7.926 -10.878 1.00 61.01 C ATOM 910 OE1 GLU A 56 -3.553 7.612 -11.746 1.00 54.33 O ATOM 911 OE2 GLU A 56 -5.576 7.520 -10.921 1.00 52.23 O ATOM 0 H GLU A 56 -5.042 8.980 -6.973 1.00 70.45 H new ATOM 0 HA GLU A 56 -5.036 6.611 -8.567 1.00 61.24 H new ATOM 0 HB2 GLU A 56 -2.939 8.687 -7.837 1.00 40.50 H new ATOM 0 HB3 GLU A 56 -2.605 7.349 -8.918 1.00 40.50 H new ATOM 0 HG2 GLU A 56 -4.799 9.404 -9.379 1.00 12.12 H new ATOM 0 HG3 GLU A 56 -3.193 9.508 -10.072 1.00 12.12 H new ATOM 918 N LEU A 57 -3.456 6.539 -5.685 1.00 4.41 N ATOM 919 CA LEU A 57 -2.873 5.634 -4.686 1.00 23.20 C ATOM 920 C LEU A 57 -3.871 4.530 -4.299 1.00 4.15 C ATOM 921 O LEU A 57 -3.511 3.359 -4.190 1.00 33.43 O ATOM 922 CB LEU A 57 -2.449 6.425 -3.440 1.00 53.24 C ATOM 923 CG LEU A 57 -1.400 7.520 -3.688 1.00 14.41 C ATOM 924 CD1 LEU A 57 -1.094 8.280 -2.398 1.00 10.30 C ATOM 925 CD2 LEU A 57 -0.124 6.923 -4.285 1.00 30.23 C ATOM 0 H LEU A 57 -3.597 7.494 -5.354 1.00 4.41 H new ATOM 0 HA LEU A 57 -1.993 5.162 -5.123 1.00 23.20 H new ATOM 0 HB2 LEU A 57 -3.335 6.885 -3.002 1.00 53.24 H new ATOM 0 HB3 LEU A 57 -2.055 5.726 -2.702 1.00 53.24 H new ATOM 0 HG LEU A 57 -1.811 8.228 -4.408 1.00 14.41 H new ATOM 0 HD11 LEU A 57 -0.349 9.050 -2.597 1.00 10.30 H new ATOM 0 HD12 LEU A 57 -2.006 8.746 -2.025 1.00 10.30 H new ATOM 0 HD13 LEU A 57 -0.708 7.587 -1.650 1.00 10.30 H new ATOM 0 HD21 LEU A 57 0.605 7.716 -4.452 1.00 30.23 H new ATOM 0 HD22 LEU A 57 0.291 6.188 -3.595 1.00 30.23 H new ATOM 0 HD23 LEU A 57 -0.358 6.439 -5.233 1.00 30.23 H new ATOM 937 N ALA A 58 -5.132 4.915 -4.101 1.00 24.51 N ATOM 938 CA ALA A 58 -6.204 3.951 -3.826 1.00 75.33 C ATOM 939 C ALA A 58 -6.417 3.013 -5.024 1.00 62.11 C ATOM 940 O ALA A 58 -6.661 1.816 -4.863 1.00 40.32 O ATOM 941 CB ALA A 58 -7.499 4.682 -3.486 1.00 34.24 C ATOM 0 H ALA A 58 -5.439 5.887 -4.125 1.00 24.51 H new ATOM 0 HA ALA A 58 -5.908 3.346 -2.969 1.00 75.33 H new ATOM 0 HB1 ALA A 58 -8.285 3.955 -3.284 1.00 34.24 H new ATOM 0 HB2 ALA A 58 -7.345 5.304 -2.604 1.00 34.24 H new ATOM 0 HB3 ALA A 58 -7.793 5.311 -4.326 1.00 34.24 H new ATOM 947 N LYS A 59 -6.336 3.576 -6.229 1.00 55.01 N ATOM 948 CA LYS A 59 -6.399 2.795 -7.466 1.00 24.43 C ATOM 949 C LYS A 59 -5.266 1.759 -7.527 1.00 63.03 C ATOM 950 O LYS A 59 -5.501 0.572 -7.765 1.00 14.41 O ATOM 951 CB LYS A 59 -6.288 3.735 -8.676 1.00 32.23 C ATOM 952 CG LYS A 59 -6.305 3.018 -10.024 1.00 5.44 C ATOM 953 CD LYS A 59 -5.687 3.870 -11.135 1.00 53.22 C ATOM 954 CE LYS A 59 -4.205 4.141 -10.878 1.00 24.10 C ATOM 955 NZ LYS A 59 -3.581 4.954 -11.957 1.00 5.11 N ATOM 0 H LYS A 59 -6.226 4.579 -6.376 1.00 55.01 H new ATOM 0 HA LYS A 59 -7.353 2.268 -7.486 1.00 24.43 H new ATOM 0 HB2 LYS A 59 -7.111 4.449 -8.645 1.00 32.23 H new ATOM 0 HB3 LYS A 59 -5.365 4.309 -8.593 1.00 32.23 H new ATOM 0 HG2 LYS A 59 -5.759 2.078 -9.942 1.00 5.44 H new ATOM 0 HG3 LYS A 59 -7.332 2.767 -10.288 1.00 5.44 H new ATOM 0 HD2 LYS A 59 -5.804 3.361 -12.092 1.00 53.22 H new ATOM 0 HD3 LYS A 59 -6.223 4.816 -11.209 1.00 53.22 H new ATOM 0 HE2 LYS A 59 -4.093 4.659 -9.926 1.00 24.10 H new ATOM 0 HE3 LYS A 59 -3.675 3.193 -10.789 1.00 24.10 H new ATOM 0 HZ1 LYS A 59 -2.761 4.445 -12.345 1.00 5.11 H new ATOM 0 HZ2 LYS A 59 -4.276 5.119 -12.713 1.00 5.11 H new ATOM 0 HZ3 LYS A 59 -3.269 5.867 -11.568 1.00 5.11 H new ATOM 969 N GLU A 60 -4.039 2.223 -7.295 1.00 14.42 N ATOM 970 CA GLU A 60 -2.844 1.387 -7.441 1.00 61.34 C ATOM 971 C GLU A 60 -2.768 0.308 -6.349 1.00 61.42 C ATOM 972 O GLU A 60 -2.361 -0.821 -6.614 1.00 63.43 O ATOM 973 CB GLU A 60 -1.580 2.261 -7.416 1.00 44.45 C ATOM 974 CG GLU A 60 -0.357 1.602 -8.052 1.00 43.12 C ATOM 975 CD GLU A 60 -0.532 1.374 -9.548 1.00 41.34 C ATOM 976 OE1 GLU A 60 -0.550 2.371 -10.305 1.00 11.52 O ATOM 977 OE2 GLU A 60 -0.666 0.209 -9.976 1.00 33.44 O ATOM 0 H GLU A 60 -3.844 3.181 -7.003 1.00 14.42 H new ATOM 0 HA GLU A 60 -2.910 0.878 -8.403 1.00 61.34 H new ATOM 0 HB2 GLU A 60 -1.787 3.197 -7.935 1.00 44.45 H new ATOM 0 HB3 GLU A 60 -1.347 2.515 -6.382 1.00 44.45 H new ATOM 0 HG2 GLU A 60 0.519 2.228 -7.883 1.00 43.12 H new ATOM 0 HG3 GLU A 60 -0.166 0.647 -7.562 1.00 43.12 H new ATOM 984 N ALA A 61 -3.172 0.658 -5.126 1.00 60.32 N ATOM 985 CA ALA A 61 -3.175 -0.294 -4.006 1.00 50.44 C ATOM 986 C ALA A 61 -3.920 -1.588 -4.369 1.00 2.04 C ATOM 987 O ALA A 61 -3.392 -2.691 -4.212 1.00 34.03 O ATOM 988 CB ALA A 61 -3.799 0.345 -2.770 1.00 23.21 C ATOM 0 H ALA A 61 -3.502 1.592 -4.883 1.00 60.32 H new ATOM 0 HA ALA A 61 -2.139 -0.555 -3.788 1.00 50.44 H new ATOM 0 HB1 ALA A 61 -3.795 -0.371 -1.949 1.00 23.21 H new ATOM 0 HB2 ALA A 61 -3.224 1.226 -2.486 1.00 23.21 H new ATOM 0 HB3 ALA A 61 -4.826 0.638 -2.991 1.00 23.21 H new ATOM 994 N GLU A 62 -5.148 -1.447 -4.867 1.00 53.15 N ATOM 995 CA GLU A 62 -5.928 -2.606 -5.312 1.00 21.11 C ATOM 996 C GLU A 62 -5.384 -3.173 -6.632 1.00 23.21 C ATOM 997 O GLU A 62 -5.462 -4.376 -6.876 1.00 14.01 O ATOM 998 CB GLU A 62 -7.409 -2.236 -5.468 1.00 15.02 C ATOM 999 CG GLU A 62 -8.078 -1.810 -4.167 1.00 63.24 C ATOM 1000 CD GLU A 62 -9.580 -1.626 -4.313 1.00 34.31 C ATOM 1001 OE1 GLU A 62 -10.326 -2.614 -4.133 1.00 51.24 O ATOM 1002 OE2 GLU A 62 -10.023 -0.501 -4.628 1.00 63.11 O ATOM 0 H GLU A 62 -5.623 -0.551 -4.973 1.00 53.15 H new ATOM 0 HA GLU A 62 -5.836 -3.377 -4.547 1.00 21.11 H new ATOM 0 HB2 GLU A 62 -7.497 -1.427 -6.193 1.00 15.02 H new ATOM 0 HB3 GLU A 62 -7.946 -3.091 -5.879 1.00 15.02 H new ATOM 0 HG2 GLU A 62 -7.881 -2.558 -3.400 1.00 63.24 H new ATOM 0 HG3 GLU A 62 -7.633 -0.876 -3.823 1.00 63.24 H new ATOM 1009 N ARG A 63 -4.829 -2.301 -7.477 1.00 23.01 N ATOM 1010 CA ARG A 63 -4.241 -2.720 -8.757 1.00 34.04 C ATOM 1011 C ARG A 63 -3.140 -3.769 -8.521 1.00 14.02 C ATOM 1012 O ARG A 63 -3.114 -4.818 -9.172 1.00 72.31 O ATOM 1013 CB ARG A 63 -3.675 -1.490 -9.500 1.00 40.41 C ATOM 1014 CG ARG A 63 -3.539 -1.655 -11.016 1.00 61.12 C ATOM 1015 CD ARG A 63 -2.442 -2.640 -11.404 1.00 71.41 C ATOM 1016 NE ARG A 63 -2.450 -2.930 -12.833 1.00 72.01 N ATOM 1017 CZ ARG A 63 -2.840 -4.064 -13.345 1.00 21.43 C ATOM 1018 NH1 ARG A 63 -3.276 -5.013 -12.582 1.00 14.22 N ATOM 1019 NH2 ARG A 63 -2.790 -4.251 -14.620 1.00 64.10 N ATOM 0 H ARG A 63 -4.773 -1.298 -7.300 1.00 23.01 H new ATOM 0 HA ARG A 63 -5.016 -3.174 -9.374 1.00 34.04 H new ATOM 0 HB2 ARG A 63 -4.320 -0.635 -9.299 1.00 40.41 H new ATOM 0 HB3 ARG A 63 -2.695 -1.254 -9.086 1.00 40.41 H new ATOM 0 HG2 ARG A 63 -4.489 -1.995 -11.427 1.00 61.12 H new ATOM 0 HG3 ARG A 63 -3.326 -0.685 -11.465 1.00 61.12 H new ATOM 0 HD2 ARG A 63 -1.472 -2.232 -11.122 1.00 71.41 H new ATOM 0 HD3 ARG A 63 -2.572 -3.567 -10.845 1.00 71.41 H new ATOM 0 HE ARG A 63 -2.131 -2.201 -13.471 1.00 72.01 H new ATOM 0 HH11 ARG A 63 -3.317 -4.877 -11.572 1.00 14.22 H new ATOM 0 HH12 ARG A 63 -3.579 -5.897 -12.990 1.00 14.22 H new ATOM 0 HH21 ARG A 63 -2.445 -3.511 -15.231 1.00 64.10 H new ATOM 0 HH22 ARG A 63 -3.096 -5.139 -15.018 1.00 64.10 H new ATOM 1033 N LEU A 64 -2.237 -3.469 -7.584 1.00 4.24 N ATOM 1034 CA LEU A 64 -1.188 -4.407 -7.166 1.00 24.31 C ATOM 1035 C LEU A 64 -1.784 -5.765 -6.769 1.00 33.33 C ATOM 1036 O LEU A 64 -1.305 -6.820 -7.194 1.00 63.33 O ATOM 1037 CB LEU A 64 -0.407 -3.815 -5.981 1.00 11.33 C ATOM 1038 CG LEU A 64 0.391 -2.539 -6.296 1.00 54.15 C ATOM 1039 CD1 LEU A 64 0.935 -1.905 -5.018 1.00 35.14 C ATOM 1040 CD2 LEU A 64 1.528 -2.844 -7.267 1.00 2.34 C ATOM 0 H LEU A 64 -2.211 -2.574 -7.095 1.00 4.24 H new ATOM 0 HA LEU A 64 -0.515 -4.565 -8.009 1.00 24.31 H new ATOM 0 HB2 LEU A 64 -1.109 -3.596 -5.177 1.00 11.33 H new ATOM 0 HB3 LEU A 64 0.282 -4.572 -5.606 1.00 11.33 H new ATOM 0 HG LEU A 64 -0.285 -1.826 -6.767 1.00 54.15 H new ATOM 0 HD11 LEU A 64 1.495 -1.004 -5.269 1.00 35.14 H new ATOM 0 HD12 LEU A 64 0.106 -1.645 -4.359 1.00 35.14 H new ATOM 0 HD13 LEU A 64 1.592 -2.612 -4.512 1.00 35.14 H new ATOM 0 HD21 LEU A 64 2.081 -1.929 -7.478 1.00 2.34 H new ATOM 0 HD22 LEU A 64 2.199 -3.579 -6.823 1.00 2.34 H new ATOM 0 HD23 LEU A 64 1.117 -3.242 -8.195 1.00 2.34 H new ATOM 1052 N ALA A 65 -2.837 -5.726 -5.954 1.00 75.54 N ATOM 1053 CA ALA A 65 -3.531 -6.943 -5.521 1.00 23.23 C ATOM 1054 C ALA A 65 -4.053 -7.758 -6.712 1.00 60.45 C ATOM 1055 O ALA A 65 -3.937 -8.982 -6.734 1.00 33.10 O ATOM 1056 CB ALA A 65 -4.680 -6.585 -4.589 1.00 31.51 C ATOM 0 H ALA A 65 -3.231 -4.863 -5.578 1.00 75.54 H new ATOM 0 HA ALA A 65 -2.810 -7.563 -4.988 1.00 23.23 H new ATOM 0 HB1 ALA A 65 -5.189 -7.495 -4.273 1.00 31.51 H new ATOM 0 HB2 ALA A 65 -4.290 -6.065 -3.714 1.00 31.51 H new ATOM 0 HB3 ALA A 65 -5.384 -5.938 -5.112 1.00 31.51 H new ATOM 1062 N LYS A 66 -4.613 -7.067 -7.702 1.00 50.35 N ATOM 1063 CA LYS A 66 -5.182 -7.721 -8.887 1.00 43.43 C ATOM 1064 C LYS A 66 -4.089 -8.359 -9.764 1.00 61.52 C ATOM 1065 O LYS A 66 -4.344 -9.320 -10.490 1.00 13.14 O ATOM 1066 CB LYS A 66 -6.006 -6.710 -9.698 1.00 43.14 C ATOM 1067 CG LYS A 66 -7.112 -6.041 -8.881 1.00 41.11 C ATOM 1068 CD LYS A 66 -7.941 -5.062 -9.712 1.00 71.05 C ATOM 1069 CE LYS A 66 -8.906 -4.259 -8.840 1.00 73.14 C ATOM 1070 NZ LYS A 66 -9.765 -5.135 -7.992 1.00 62.12 N ATOM 0 H LYS A 66 -4.687 -6.050 -7.711 1.00 50.35 H new ATOM 0 HA LYS A 66 -5.836 -8.525 -8.548 1.00 43.43 H new ATOM 0 HB2 LYS A 66 -5.340 -5.943 -10.093 1.00 43.14 H new ATOM 0 HB3 LYS A 66 -6.452 -7.217 -10.554 1.00 43.14 H new ATOM 0 HG2 LYS A 66 -7.767 -6.807 -8.467 1.00 41.11 H new ATOM 0 HG3 LYS A 66 -6.668 -5.512 -8.038 1.00 41.11 H new ATOM 0 HD2 LYS A 66 -7.276 -4.380 -10.242 1.00 71.05 H new ATOM 0 HD3 LYS A 66 -8.503 -5.611 -10.467 1.00 71.05 H new ATOM 0 HE2 LYS A 66 -8.338 -3.583 -8.201 1.00 73.14 H new ATOM 0 HE3 LYS A 66 -9.538 -3.640 -9.477 1.00 73.14 H new ATOM 0 HZ1 LYS A 66 -10.532 -4.570 -7.575 1.00 62.12 H new ATOM 0 HZ2 LYS A 66 -10.171 -5.893 -8.576 1.00 62.12 H new ATOM 0 HZ3 LYS A 66 -9.191 -5.553 -7.232 1.00 62.12 H new ATOM 1084 N GLU A 67 -2.872 -7.815 -9.694 1.00 72.13 N ATOM 1085 CA GLU A 67 -1.715 -8.407 -10.383 1.00 31.13 C ATOM 1086 C GLU A 67 -1.317 -9.750 -9.748 1.00 34.03 C ATOM 1087 O GLU A 67 -1.136 -10.754 -10.439 1.00 62.13 O ATOM 1088 CB GLU A 67 -0.514 -7.443 -10.336 1.00 72.33 C ATOM 1089 CG GLU A 67 -0.668 -6.194 -11.205 1.00 43.23 C ATOM 1090 CD GLU A 67 -0.478 -6.470 -12.693 1.00 2.34 C ATOM 1091 OE1 GLU A 67 -1.412 -6.985 -13.336 1.00 42.55 O ATOM 1092 OE2 GLU A 67 0.608 -6.152 -13.230 1.00 12.21 O ATOM 0 H GLU A 67 -2.659 -6.967 -9.169 1.00 72.13 H new ATOM 0 HA GLU A 67 -2.001 -8.583 -11.420 1.00 31.13 H new ATOM 0 HB2 GLU A 67 -0.353 -7.134 -9.303 1.00 72.33 H new ATOM 0 HB3 GLU A 67 0.380 -7.981 -10.651 1.00 72.33 H new ATOM 0 HG2 GLU A 67 -1.658 -5.768 -11.045 1.00 43.23 H new ATOM 0 HG3 GLU A 67 0.057 -5.445 -10.885 1.00 43.23 H new ATOM 1099 N PHE A 68 -1.191 -9.761 -8.423 1.00 23.54 N ATOM 1100 CA PHE A 68 -0.714 -10.945 -7.694 1.00 62.42 C ATOM 1101 C PHE A 68 -1.870 -11.806 -7.147 1.00 44.34 C ATOM 1102 O PHE A 68 -1.632 -12.818 -6.485 1.00 0.34 O ATOM 1103 CB PHE A 68 0.197 -10.505 -6.539 1.00 52.33 C ATOM 1104 CG PHE A 68 1.326 -9.596 -6.970 1.00 20.31 C ATOM 1105 CD1 PHE A 68 2.350 -10.074 -7.775 1.00 21.35 C ATOM 1106 CD2 PHE A 68 1.361 -8.265 -6.568 1.00 33.41 C ATOM 1107 CE1 PHE A 68 3.382 -9.244 -8.172 1.00 54.31 C ATOM 1108 CE2 PHE A 68 2.391 -7.434 -6.962 1.00 41.24 C ATOM 1109 CZ PHE A 68 3.403 -7.923 -7.764 1.00 61.03 C ATOM 0 H PHE A 68 -1.412 -8.964 -7.827 1.00 23.54 H new ATOM 0 HA PHE A 68 -0.158 -11.562 -8.400 1.00 62.42 H new ATOM 0 HB2 PHE A 68 -0.404 -9.992 -5.788 1.00 52.33 H new ATOM 0 HB3 PHE A 68 0.617 -11.390 -6.061 1.00 52.33 H new ATOM 0 HD1 PHE A 68 2.341 -11.105 -8.095 1.00 21.35 H new ATOM 0 HD2 PHE A 68 0.573 -7.877 -5.940 1.00 33.41 H new ATOM 0 HE1 PHE A 68 4.172 -9.627 -8.801 1.00 54.31 H new ATOM 0 HE2 PHE A 68 2.405 -6.402 -6.643 1.00 41.24 H new ATOM 0 HZ PHE A 68 4.210 -7.275 -8.072 1.00 61.03 H new ATOM 1119 N ASN A 69 -3.113 -11.396 -7.420 1.00 22.54 N ATOM 1120 CA ASN A 69 -4.311 -12.127 -6.957 1.00 31.53 C ATOM 1121 C ASN A 69 -4.392 -12.192 -5.417 1.00 50.52 C ATOM 1122 O ASN A 69 -5.018 -13.096 -4.860 1.00 43.24 O ATOM 1123 CB ASN A 69 -4.333 -13.552 -7.537 1.00 2.52 C ATOM 1124 CG ASN A 69 -4.350 -13.575 -9.056 1.00 71.33 C ATOM 1125 OD1 ASN A 69 -4.861 -12.667 -9.703 1.00 24.15 O ATOM 1126 ND2 ASN A 69 -3.799 -14.621 -9.640 1.00 33.51 N ATOM 0 H ASN A 69 -3.323 -10.558 -7.962 1.00 22.54 H new ATOM 0 HA ASN A 69 -5.179 -11.574 -7.316 1.00 31.53 H new ATOM 0 HB2 ASN A 69 -3.459 -14.097 -7.181 1.00 2.52 H new ATOM 0 HB3 ASN A 69 -5.211 -14.078 -7.161 1.00 2.52 H new ATOM 0 HD21 ASN A 69 -3.790 -14.691 -10.658 1.00 33.51 H new ATOM 0 HD22 ASN A 69 -3.382 -15.360 -9.074 1.00 33.51 H new ATOM 1133 N ILE A 70 -3.787 -11.221 -4.734 1.00 12.03 N ATOM 1134 CA ILE A 70 -3.735 -11.228 -3.260 1.00 32.22 C ATOM 1135 C ILE A 70 -4.732 -10.232 -2.631 1.00 34.24 C ATOM 1136 O ILE A 70 -5.408 -9.476 -3.332 1.00 63.32 O ATOM 1137 CB ILE A 70 -2.288 -10.960 -2.741 1.00 60.55 C ATOM 1138 CG1 ILE A 70 -1.713 -9.629 -3.282 1.00 42.43 C ATOM 1139 CG2 ILE A 70 -1.371 -12.127 -3.114 1.00 24.34 C ATOM 1140 CD1 ILE A 70 -2.137 -8.394 -2.509 1.00 24.12 C ATOM 0 H ILE A 70 -3.327 -10.421 -5.168 1.00 12.03 H new ATOM 0 HA ILE A 70 -4.034 -12.228 -2.945 1.00 32.22 H new ATOM 0 HB ILE A 70 -2.339 -10.873 -1.656 1.00 60.55 H new ATOM 0 HG12 ILE A 70 -0.625 -9.690 -3.275 1.00 42.43 H new ATOM 0 HG13 ILE A 70 -2.019 -9.513 -4.322 1.00 42.43 H new ATOM 0 HG21 ILE A 70 -0.364 -11.930 -2.747 1.00 24.34 H new ATOM 0 HG22 ILE A 70 -1.748 -13.045 -2.663 1.00 24.34 H new ATOM 0 HG23 ILE A 70 -1.347 -12.239 -4.198 1.00 24.34 H new ATOM 0 HD11 ILE A 70 -1.686 -7.510 -2.960 1.00 24.12 H new ATOM 0 HD12 ILE A 70 -3.223 -8.302 -2.537 1.00 24.12 H new ATOM 0 HD13 ILE A 70 -1.807 -8.482 -1.474 1.00 24.12 H new ATOM 1152 N THR A 71 -4.813 -10.242 -1.300 1.00 52.54 N ATOM 1153 CA THR A 71 -5.771 -9.399 -0.564 1.00 42.14 C ATOM 1154 C THR A 71 -5.124 -8.102 -0.053 1.00 45.53 C ATOM 1155 O THR A 71 -3.989 -8.111 0.419 1.00 62.43 O ATOM 1156 CB THR A 71 -6.372 -10.168 0.643 1.00 72.14 C ATOM 1157 OG1 THR A 71 -7.026 -11.364 0.186 1.00 24.32 O ATOM 1158 CG2 THR A 71 -7.373 -9.309 1.415 1.00 23.24 C ATOM 0 H THR A 71 -4.227 -10.825 -0.703 1.00 52.54 H new ATOM 0 HA THR A 71 -6.561 -9.141 -1.269 1.00 42.14 H new ATOM 0 HB THR A 71 -5.551 -10.424 1.313 1.00 72.14 H new ATOM 0 HG1 THR A 71 -7.401 -11.845 0.953 1.00 24.32 H new ATOM 0 HG21 THR A 71 -7.773 -9.880 2.253 1.00 23.24 H new ATOM 0 HG22 THR A 71 -6.873 -8.416 1.791 1.00 23.24 H new ATOM 0 HG23 THR A 71 -8.188 -9.017 0.753 1.00 23.24 H new ATOM 1166 N VAL A 72 -5.855 -6.988 -0.141 1.00 0.11 N ATOM 1167 CA VAL A 72 -5.373 -5.697 0.374 1.00 63.13 C ATOM 1168 C VAL A 72 -6.528 -4.837 0.925 1.00 10.24 C ATOM 1169 O VAL A 72 -7.605 -4.766 0.331 1.00 14.54 O ATOM 1170 CB VAL A 72 -4.614 -4.891 -0.716 1.00 73.11 C ATOM 1171 CG1 VAL A 72 -5.531 -4.540 -1.888 1.00 71.51 C ATOM 1172 CG2 VAL A 72 -3.984 -3.630 -0.121 1.00 3.42 C ATOM 0 H VAL A 72 -6.783 -6.951 -0.563 1.00 0.11 H new ATOM 0 HA VAL A 72 -4.685 -5.930 1.186 1.00 63.13 H new ATOM 0 HB VAL A 72 -3.814 -5.524 -1.099 1.00 73.11 H new ATOM 0 HG11 VAL A 72 -4.970 -3.976 -2.633 1.00 71.51 H new ATOM 0 HG12 VAL A 72 -5.913 -5.456 -2.338 1.00 71.51 H new ATOM 0 HG13 VAL A 72 -6.365 -3.937 -1.529 1.00 71.51 H new ATOM 0 HG21 VAL A 72 -3.458 -3.082 -0.903 1.00 3.42 H new ATOM 0 HG22 VAL A 72 -4.765 -2.998 0.302 1.00 3.42 H new ATOM 0 HG23 VAL A 72 -3.280 -3.910 0.662 1.00 3.42 H new ATOM 1182 N THR A 73 -6.304 -4.200 2.076 1.00 15.42 N ATOM 1183 CA THR A 73 -7.287 -3.270 2.665 1.00 22.23 C ATOM 1184 C THR A 73 -6.625 -1.932 3.007 1.00 53.45 C ATOM 1185 O THR A 73 -5.502 -1.903 3.509 1.00 44.45 O ATOM 1186 CB THR A 73 -7.937 -3.839 3.957 1.00 23.15 C ATOM 1187 OG1 THR A 73 -6.964 -3.928 5.016 1.00 42.41 O ATOM 1188 CG2 THR A 73 -8.550 -5.217 3.707 1.00 10.45 C ATOM 0 H THR A 73 -5.451 -4.307 2.625 1.00 15.42 H new ATOM 0 HA THR A 73 -8.065 -3.130 1.915 1.00 22.23 H new ATOM 0 HB THR A 73 -8.731 -3.154 4.255 1.00 23.15 H new ATOM 0 HG1 THR A 73 -7.390 -4.286 5.822 1.00 42.41 H new ATOM 0 HG21 THR A 73 -8.997 -5.589 4.629 1.00 10.45 H new ATOM 0 HG22 THR A 73 -9.318 -5.139 2.937 1.00 10.45 H new ATOM 0 HG23 THR A 73 -7.773 -5.906 3.377 1.00 10.45 H new ATOM 1196 N TYR A 74 -7.312 -0.823 2.744 1.00 10.01 N ATOM 1197 CA TYR A 74 -6.738 0.502 3.004 1.00 21.40 C ATOM 1198 C TYR A 74 -7.661 1.385 3.865 1.00 12.22 C ATOM 1199 O TYR A 74 -8.798 1.679 3.492 1.00 74.11 O ATOM 1200 CB TYR A 74 -6.376 1.209 1.684 1.00 51.45 C ATOM 1201 CG TYR A 74 -7.532 1.387 0.712 1.00 24.34 C ATOM 1202 CD1 TYR A 74 -7.894 0.370 -0.166 1.00 21.41 C ATOM 1203 CD2 TYR A 74 -8.251 2.578 0.666 1.00 50.12 C ATOM 1204 CE1 TYR A 74 -8.937 0.532 -1.056 1.00 74.44 C ATOM 1205 CE2 TYR A 74 -9.295 2.747 -0.221 1.00 24.42 C ATOM 1206 CZ TYR A 74 -9.635 1.722 -1.080 1.00 2.51 C ATOM 1207 OH TYR A 74 -10.674 1.892 -1.969 1.00 4.53 O ATOM 0 H TYR A 74 -8.255 -0.810 2.356 1.00 10.01 H new ATOM 0 HA TYR A 74 -5.825 0.346 3.578 1.00 21.40 H new ATOM 0 HB2 TYR A 74 -5.962 2.190 1.917 1.00 51.45 H new ATOM 0 HB3 TYR A 74 -5.589 0.640 1.189 1.00 51.45 H new ATOM 0 HD1 TYR A 74 -7.349 -0.563 -0.151 1.00 21.41 H new ATOM 0 HD2 TYR A 74 -7.988 3.383 1.336 1.00 50.12 H new ATOM 0 HE1 TYR A 74 -9.205 -0.268 -1.730 1.00 74.44 H new ATOM 0 HE2 TYR A 74 -9.843 3.677 -0.243 1.00 24.42 H new ATOM 0 HH TYR A 74 -11.059 2.786 -1.855 1.00 4.53 H new ATOM 1217 N THR A 75 -7.157 1.784 5.029 1.00 41.32 N ATOM 1218 CA THR A 75 -7.844 2.734 5.917 1.00 55.42 C ATOM 1219 C THR A 75 -7.186 4.116 5.805 1.00 24.31 C ATOM 1220 O THR A 75 -5.969 4.214 5.712 1.00 74.33 O ATOM 1221 CB THR A 75 -7.789 2.267 7.397 1.00 43.20 C ATOM 1222 OG1 THR A 75 -8.357 0.951 7.526 1.00 35.15 O ATOM 1223 CG2 THR A 75 -8.534 3.234 8.316 1.00 64.55 C ATOM 0 H THR A 75 -6.259 1.461 5.389 1.00 41.32 H new ATOM 0 HA THR A 75 -8.888 2.786 5.607 1.00 55.42 H new ATOM 0 HB THR A 75 -6.741 2.245 7.696 1.00 43.20 H new ATOM 0 HG1 THR A 75 -8.462 0.732 8.475 1.00 35.15 H new ATOM 0 HG21 THR A 75 -8.476 2.877 9.344 1.00 64.55 H new ATOM 0 HG22 THR A 75 -8.080 4.223 8.249 1.00 64.55 H new ATOM 0 HG23 THR A 75 -9.579 3.293 8.011 1.00 64.55 H new ATOM 1231 N ILE A 76 -7.980 5.185 5.797 1.00 51.20 N ATOM 1232 CA ILE A 76 -7.430 6.542 5.638 1.00 63.23 C ATOM 1233 C ILE A 76 -7.973 7.522 6.692 1.00 31.04 C ATOM 1234 O ILE A 76 -9.183 7.637 6.888 1.00 62.45 O ATOM 1235 CB ILE A 76 -7.727 7.103 4.218 1.00 74.24 C ATOM 1236 CG1 ILE A 76 -7.142 6.166 3.144 1.00 43.41 C ATOM 1237 CG2 ILE A 76 -7.167 8.520 4.064 1.00 61.22 C ATOM 1238 CD1 ILE A 76 -7.358 6.637 1.721 1.00 75.14 C ATOM 0 H ILE A 76 -8.994 5.146 5.897 1.00 51.20 H new ATOM 0 HA ILE A 76 -6.353 6.452 5.779 1.00 63.23 H new ATOM 0 HB ILE A 76 -8.808 7.153 4.085 1.00 74.24 H new ATOM 0 HG12 ILE A 76 -6.072 6.055 3.319 1.00 43.41 H new ATOM 0 HG13 ILE A 76 -7.588 5.178 3.259 1.00 43.41 H new ATOM 0 HG21 ILE A 76 -7.387 8.891 3.063 1.00 61.22 H new ATOM 0 HG22 ILE A 76 -7.627 9.175 4.803 1.00 61.22 H new ATOM 0 HG23 ILE A 76 -6.088 8.503 4.216 1.00 61.22 H new ATOM 0 HD11 ILE A 76 -6.916 5.920 1.029 1.00 75.14 H new ATOM 0 HD12 ILE A 76 -8.427 6.720 1.523 1.00 75.14 H new ATOM 0 HD13 ILE A 76 -6.887 7.611 1.585 1.00 75.14 H new ATOM 1250 N ARG A 77 -7.066 8.227 7.373 1.00 23.03 N ATOM 1251 CA ARG A 77 -7.453 9.288 8.312 1.00 35.40 C ATOM 1252 C ARG A 77 -7.640 10.614 7.555 1.00 12.33 C ATOM 1253 O ARG A 77 -6.665 11.242 7.135 1.00 41.43 O ATOM 1254 CB ARG A 77 -6.396 9.451 9.418 1.00 2.22 C ATOM 1255 CG ARG A 77 -6.090 8.163 10.181 1.00 11.42 C ATOM 1256 CD ARG A 77 -5.132 8.397 11.347 1.00 73.15 C ATOM 1257 NE ARG A 77 -5.754 9.146 12.440 1.00 32.23 N ATOM 1258 CZ ARG A 77 -5.091 9.770 13.383 1.00 51.53 C ATOM 1259 NH1 ARG A 77 -3.797 9.847 13.348 1.00 70.32 N ATOM 1260 NH2 ARG A 77 -5.733 10.330 14.356 1.00 75.44 N ATOM 0 H ARG A 77 -6.059 8.084 7.293 1.00 23.03 H new ATOM 0 HA ARG A 77 -8.396 9.009 8.781 1.00 35.40 H new ATOM 0 HB2 ARG A 77 -5.474 9.825 8.973 1.00 2.22 H new ATOM 0 HB3 ARG A 77 -6.738 10.207 10.125 1.00 2.22 H new ATOM 0 HG2 ARG A 77 -7.020 7.736 10.557 1.00 11.42 H new ATOM 0 HG3 ARG A 77 -5.657 7.432 9.498 1.00 11.42 H new ATOM 0 HD2 ARG A 77 -4.780 7.436 11.723 1.00 73.15 H new ATOM 0 HD3 ARG A 77 -4.256 8.940 10.991 1.00 73.15 H new ATOM 0 HE ARG A 77 -6.773 9.185 12.470 1.00 32.23 H new ATOM 0 HH11 ARG A 77 -3.281 9.419 12.579 1.00 70.32 H new ATOM 0 HH12 ARG A 77 -3.295 10.336 14.089 1.00 70.32 H new ATOM 0 HH21 ARG A 77 -6.752 10.285 14.388 1.00 75.44 H new ATOM 0 HH22 ARG A 77 -5.221 10.817 15.092 1.00 75.44 H new