USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 384 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 3 MET CE :methyl -163:sc= -0.0287 (180deg=-0.577) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.593 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.36 K(o=-1.4,f=-5.6!) USER MOD Single : A 14 GLN : amide:sc= -1.85! K(o=-1.8!,f=-0.24) USER MOD Single : A 19 TYR OH : rot 167:sc= 1.03 USER MOD Single : A 20 MET CE :methyl 161:sc= -12.4! (180deg=-13.8!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.13! C(o=-1.1!,f=-8.8!) USER MOD Single : A 28 THR OG1 : rot 21:sc= 0.719 USER MOD Single : A 35 SER OG : rot 102:sc= -0.681 USER MOD Single : A 43 SER OG : rot 108:sc= 1.22 USER MOD Single : A 44 GLN : amide:sc= -6.18! C(o=-6.2!,f=-9.2!) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 2.319 -0.655 -4.153 1.00 0.00 N ATOM 19 CA LEU A 2 2.578 -2.041 -4.534 1.00 0.00 C ATOM 20 C LEU A 2 3.984 -2.244 -5.073 1.00 0.00 C ATOM 21 O LEU A 2 4.493 -1.418 -5.829 1.00 0.00 O ATOM 22 CB LEU A 2 1.589 -2.449 -5.605 1.00 0.00 C ATOM 23 CG LEU A 2 1.437 -3.955 -5.604 1.00 0.00 C ATOM 24 CD1 LEU A 2 0.234 -4.330 -4.742 1.00 0.00 C ATOM 25 CD2 LEU A 2 1.237 -4.413 -7.048 1.00 0.00 C ATOM 0 HA LEU A 2 2.472 -2.652 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.624 -1.975 -5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 2 1.933 -2.108 -6.582 1.00 0.00 H new ATOM 0 HG LEU A 2 2.322 -4.441 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.115 -5.414 -4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.391 -3.975 -3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.665 -3.869 -5.152 1.00 0.00 H new ATOM 0 HD21 LEU A 2 1.125 -5.497 -7.074 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.341 -3.946 -7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 2 2.102 -4.124 -7.645 1.00 0.00 H new ATOM 37 N MET A 3 4.586 -3.372 -4.712 1.00 0.00 N ATOM 38 CA MET A 3 5.918 -3.705 -5.189 1.00 0.00 C ATOM 39 C MET A 3 5.797 -4.594 -6.420 1.00 0.00 C ATOM 40 O MET A 3 5.220 -5.680 -6.355 1.00 0.00 O ATOM 41 CB MET A 3 6.709 -4.432 -4.095 1.00 0.00 C ATOM 42 CG MET A 3 8.206 -4.194 -4.279 1.00 0.00 C ATOM 43 SD MET A 3 8.925 -5.579 -5.197 1.00 0.00 S ATOM 44 CE MET A 3 10.457 -4.757 -5.690 1.00 0.00 C ATOM 0 H MET A 3 4.172 -4.068 -4.092 1.00 0.00 H new ATOM 0 HA MET A 3 6.449 -2.789 -5.447 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.395 -4.078 -3.113 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.496 -5.500 -4.131 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.374 -3.261 -4.816 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.692 -4.095 -3.308 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.919 -5.309 -6.508 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.236 -3.741 -6.017 1.00 0.00 H new ATOM 0 HE3 MET A 3 11.141 -4.724 -4.842 1.00 0.00 H new ATOM 54 N ILE A 4 6.326 -4.124 -7.539 1.00 0.00 N ATOM 55 CA ILE A 4 6.252 -4.882 -8.779 1.00 0.00 C ATOM 56 C ILE A 4 7.540 -5.623 -9.036 1.00 0.00 C ATOM 57 O ILE A 4 7.563 -6.849 -9.146 1.00 0.00 O ATOM 58 CB ILE A 4 5.996 -3.927 -9.955 1.00 0.00 C ATOM 59 CG1 ILE A 4 4.589 -3.346 -9.826 1.00 0.00 C ATOM 60 CG2 ILE A 4 6.137 -4.670 -11.293 1.00 0.00 C ATOM 61 CD1 ILE A 4 3.542 -4.439 -10.066 1.00 0.00 C ATOM 0 H ILE A 4 6.808 -3.228 -7.615 1.00 0.00 H new ATOM 0 HA ILE A 4 5.437 -5.600 -8.687 1.00 0.00 H new ATOM 0 HB ILE A 4 6.731 -3.123 -9.932 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.455 -2.915 -8.834 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.454 -2.538 -10.545 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.952 -3.978 -12.115 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.145 -5.075 -11.380 1.00 0.00 H new ATOM 0 HG23 ILE A 4 5.414 -5.484 -11.335 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.543 -4.013 -9.971 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.668 -4.850 -11.068 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.669 -5.233 -9.330 1.00 0.00 H new ATOM 73 N THR A 5 8.599 -4.864 -9.181 1.00 0.00 N ATOM 74 CA THR A 5 9.883 -5.432 -9.491 1.00 0.00 C ATOM 75 C THR A 5 10.957 -4.405 -9.221 1.00 0.00 C ATOM 76 O THR A 5 10.753 -3.427 -8.499 1.00 0.00 O ATOM 77 CB THR A 5 9.905 -5.777 -10.989 1.00 0.00 C ATOM 78 OG1 THR A 5 11.006 -6.625 -11.277 1.00 0.00 O ATOM 79 CG2 THR A 5 10.042 -4.481 -11.771 1.00 0.00 C ATOM 0 H THR A 5 8.594 -3.848 -9.088 1.00 0.00 H new ATOM 0 HA THR A 5 10.058 -6.321 -8.885 1.00 0.00 H new ATOM 0 HB THR A 5 8.986 -6.294 -11.266 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.011 -6.841 -12.233 1.00 0.00 H new ATOM 0 HG21 THR A 5 10.060 -4.700 -12.839 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.196 -3.831 -11.548 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.968 -3.981 -11.488 1.00 0.00 H new ATOM 87 N SER A 6 12.071 -4.598 -9.876 1.00 0.00 N ATOM 88 CA SER A 6 13.157 -3.666 -9.789 1.00 0.00 C ATOM 89 C SER A 6 13.816 -3.601 -11.145 1.00 0.00 C ATOM 90 O SER A 6 13.884 -4.601 -11.862 1.00 0.00 O ATOM 91 CB SER A 6 14.139 -4.068 -8.714 1.00 0.00 C ATOM 92 OG SER A 6 14.354 -5.472 -8.767 1.00 0.00 O ATOM 0 H SER A 6 12.248 -5.401 -10.480 1.00 0.00 H new ATOM 0 HA SER A 6 12.785 -2.680 -9.509 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.082 -3.540 -8.853 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.756 -3.785 -7.733 1.00 0.00 H new ATOM 0 HG SER A 6 14.993 -5.732 -8.070 1.00 0.00 H new ATOM 98 N PHE A 7 14.242 -2.423 -11.519 1.00 0.00 N ATOM 99 CA PHE A 7 14.833 -2.226 -12.818 1.00 0.00 C ATOM 100 C PHE A 7 16.337 -2.037 -12.698 1.00 0.00 C ATOM 101 O PHE A 7 16.813 -1.299 -11.834 1.00 0.00 O ATOM 102 CB PHE A 7 14.169 -1.006 -13.435 1.00 0.00 C ATOM 103 CG PHE A 7 12.820 -1.396 -14.032 1.00 0.00 C ATOM 104 CD1 PHE A 7 11.871 -2.108 -13.276 1.00 0.00 C ATOM 105 CD2 PHE A 7 12.510 -1.037 -15.343 1.00 0.00 C ATOM 106 CE1 PHE A 7 10.640 -2.451 -13.839 1.00 0.00 C ATOM 107 CE2 PHE A 7 11.277 -1.390 -15.893 1.00 0.00 C ATOM 108 CZ PHE A 7 10.350 -2.097 -15.146 1.00 0.00 C ATOM 0 H PHE A 7 14.191 -1.584 -10.942 1.00 0.00 H new ATOM 0 HA PHE A 7 14.676 -3.098 -13.452 1.00 0.00 H new ATOM 0 HB2 PHE A 7 14.032 -0.234 -12.678 1.00 0.00 H new ATOM 0 HB3 PHE A 7 14.811 -0.584 -14.209 1.00 0.00 H new ATOM 0 HD1 PHE A 7 12.095 -2.390 -12.258 1.00 0.00 H new ATOM 0 HD2 PHE A 7 13.225 -0.485 -15.934 1.00 0.00 H new ATOM 0 HE1 PHE A 7 9.912 -2.994 -13.254 1.00 0.00 H new ATOM 0 HE2 PHE A 7 11.044 -1.109 -16.910 1.00 0.00 H new ATOM 0 HZ PHE A 7 9.401 -2.372 -15.582 1.00 0.00 H new ATOM 118 N ALA A 8 17.084 -2.712 -13.563 1.00 0.00 N ATOM 119 CA ALA A 8 18.536 -2.618 -13.539 1.00 0.00 C ATOM 120 C ALA A 8 18.965 -1.159 -13.570 1.00 0.00 C ATOM 121 O ALA A 8 20.076 -0.813 -13.164 1.00 0.00 O ATOM 122 CB ALA A 8 19.126 -3.339 -14.748 1.00 0.00 C ATOM 0 H ALA A 8 16.710 -3.327 -14.286 1.00 0.00 H new ATOM 0 HA ALA A 8 18.900 -3.084 -12.623 1.00 0.00 H new ATOM 0 HB1 ALA A 8 20.213 -3.264 -14.722 1.00 0.00 H new ATOM 0 HB2 ALA A 8 18.834 -4.389 -14.723 1.00 0.00 H new ATOM 0 HB3 ALA A 8 18.752 -2.880 -15.663 1.00 0.00 H new ATOM 128 N ASN A 9 18.078 -0.308 -14.061 1.00 0.00 N ATOM 129 CA ASN A 9 18.367 1.111 -14.154 1.00 0.00 C ATOM 130 C ASN A 9 17.153 1.930 -13.783 1.00 0.00 C ATOM 131 O ASN A 9 16.025 1.525 -14.036 1.00 0.00 O ATOM 132 CB ASN A 9 18.753 1.468 -15.587 1.00 0.00 C ATOM 133 CG ASN A 9 20.247 1.698 -15.695 1.00 0.00 C ATOM 134 OD1 ASN A 9 20.841 2.335 -14.829 1.00 0.00 O ATOM 135 ND2 ASN A 9 20.889 1.210 -16.712 1.00 0.00 N ATOM 0 H ASN A 9 17.154 -0.576 -14.400 1.00 0.00 H new ATOM 0 HA ASN A 9 19.185 1.331 -13.468 1.00 0.00 H new ATOM 0 HB2 ASN A 9 18.453 0.665 -16.261 1.00 0.00 H new ATOM 0 HB3 ASN A 9 18.218 2.364 -15.901 1.00 0.00 H new ATOM 0 HD21 ASN A 9 21.895 1.354 -16.797 1.00 0.00 H new ATOM 0 HD22 ASN A 9 20.387 0.682 -17.426 1.00 0.00 H new ATOM 142 N PRO A 10 17.360 3.090 -13.245 1.00 0.00 N ATOM 143 CA PRO A 10 16.252 4.021 -12.898 1.00 0.00 C ATOM 144 C PRO A 10 15.637 4.546 -14.180 1.00 0.00 C ATOM 145 O PRO A 10 14.448 4.839 -14.248 1.00 0.00 O ATOM 146 CB PRO A 10 16.950 5.137 -12.129 1.00 0.00 C ATOM 147 CG PRO A 10 18.339 5.119 -12.660 1.00 0.00 C ATOM 148 CD PRO A 10 18.670 3.658 -12.907 1.00 0.00 C ATOM 0 HA PRO A 10 15.449 3.565 -12.319 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.469 6.101 -12.298 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.930 4.955 -11.054 1.00 0.00 H new ATOM 0 HG2 PRO A 10 18.413 5.697 -13.581 1.00 0.00 H new ATOM 0 HG3 PRO A 10 19.035 5.563 -11.948 1.00 0.00 H new ATOM 0 HD2 PRO A 10 19.387 3.536 -13.719 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.103 3.185 -12.025 1.00 0.00 H new ATOM 156 N ARG A 11 16.482 4.637 -15.209 1.00 0.00 N ATOM 157 CA ARG A 11 16.040 5.095 -16.514 1.00 0.00 C ATOM 158 C ARG A 11 14.986 4.135 -17.031 1.00 0.00 C ATOM 159 O ARG A 11 13.849 4.528 -17.288 1.00 0.00 O ATOM 160 CB ARG A 11 17.215 5.141 -17.495 1.00 0.00 C ATOM 161 CG ARG A 11 18.388 5.894 -16.877 1.00 0.00 C ATOM 162 CD ARG A 11 19.162 6.592 -17.994 1.00 0.00 C ATOM 163 NE ARG A 11 18.932 8.032 -17.938 1.00 0.00 N ATOM 164 CZ ARG A 11 18.159 8.660 -18.825 1.00 0.00 C ATOM 165 NH1 ARG A 11 17.623 8.005 -19.822 1.00 0.00 N ATOM 166 NH2 ARG A 11 17.951 9.939 -18.702 1.00 0.00 N ATOM 0 H ARG A 11 17.472 4.399 -15.157 1.00 0.00 H new ATOM 0 HA ARG A 11 15.628 6.100 -16.423 1.00 0.00 H new ATOM 0 HB2 ARG A 11 17.521 4.128 -17.755 1.00 0.00 H new ATOM 0 HB3 ARG A 11 16.907 5.629 -18.420 1.00 0.00 H new ATOM 0 HG2 ARG A 11 18.029 6.624 -16.152 1.00 0.00 H new ATOM 0 HG3 ARG A 11 19.039 5.205 -16.339 1.00 0.00 H new ATOM 0 HD2 ARG A 11 20.227 6.382 -17.896 1.00 0.00 H new ATOM 0 HD3 ARG A 11 18.848 6.203 -18.963 1.00 0.00 H new ATOM 0 HE ARG A 11 19.376 8.575 -17.198 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.795 7.005 -19.926 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.033 8.494 -20.495 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.378 10.453 -17.932 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.361 10.427 -19.376 1.00 0.00 H new ATOM 180 N VAL A 12 15.360 2.862 -17.144 1.00 0.00 N ATOM 181 CA VAL A 12 14.419 1.850 -17.591 1.00 0.00 C ATOM 182 C VAL A 12 13.232 1.858 -16.647 1.00 0.00 C ATOM 183 O VAL A 12 12.085 1.711 -17.060 1.00 0.00 O ATOM 184 CB VAL A 12 15.079 0.454 -17.610 1.00 0.00 C ATOM 185 CG1 VAL A 12 16.338 0.486 -18.465 1.00 0.00 C ATOM 186 CG2 VAL A 12 15.461 0.003 -16.198 1.00 0.00 C ATOM 0 H VAL A 12 16.296 2.515 -16.934 1.00 0.00 H new ATOM 0 HA VAL A 12 14.095 2.074 -18.607 1.00 0.00 H new ATOM 0 HB VAL A 12 14.356 -0.248 -18.025 1.00 0.00 H new ATOM 0 HG11 VAL A 12 16.797 -0.502 -18.473 1.00 0.00 H new ATOM 0 HG12 VAL A 12 16.079 0.774 -19.484 1.00 0.00 H new ATOM 0 HG13 VAL A 12 17.041 1.209 -18.051 1.00 0.00 H new ATOM 0 HG21 VAL A 12 15.923 -0.983 -16.244 1.00 0.00 H new ATOM 0 HG22 VAL A 12 16.165 0.714 -15.767 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.567 -0.044 -15.577 1.00 0.00 H new ATOM 196 N ALA A 13 13.535 2.052 -15.369 1.00 0.00 N ATOM 197 CA ALA A 13 12.514 2.097 -14.348 1.00 0.00 C ATOM 198 C ALA A 13 11.555 3.228 -14.658 1.00 0.00 C ATOM 199 O ALA A 13 10.377 3.009 -14.919 1.00 0.00 O ATOM 200 CB ALA A 13 13.161 2.348 -12.985 1.00 0.00 C ATOM 0 H ALA A 13 14.485 2.180 -15.021 1.00 0.00 H new ATOM 0 HA ALA A 13 11.978 1.148 -14.326 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.389 2.382 -12.216 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.861 1.543 -12.761 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.695 3.298 -13.005 1.00 0.00 H new ATOM 206 N GLN A 14 12.085 4.443 -14.638 1.00 0.00 N ATOM 207 CA GLN A 14 11.283 5.613 -14.924 1.00 0.00 C ATOM 208 C GLN A 14 10.644 5.473 -16.293 1.00 0.00 C ATOM 209 O GLN A 14 9.442 5.653 -16.442 1.00 0.00 O ATOM 210 CB GLN A 14 12.147 6.860 -14.868 1.00 0.00 C ATOM 211 CG GLN A 14 12.484 7.157 -13.410 1.00 0.00 C ATOM 212 CD GLN A 14 13.770 7.959 -13.327 1.00 0.00 C ATOM 213 OE1 GLN A 14 13.772 9.089 -12.835 1.00 0.00 O ATOM 214 NE2 GLN A 14 14.872 7.435 -13.773 1.00 0.00 N ATOM 0 H GLN A 14 13.064 4.639 -14.427 1.00 0.00 H new ATOM 0 HA GLN A 14 10.496 5.702 -14.175 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.060 6.713 -15.444 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.621 7.704 -15.314 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.669 7.712 -12.946 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.591 6.225 -12.856 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.864 6.499 -14.179 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.745 7.959 -13.717 1.00 0.00 H new ATOM 223 N ALA A 15 11.448 5.124 -17.290 1.00 0.00 N ATOM 224 CA ALA A 15 10.920 4.939 -18.633 1.00 0.00 C ATOM 225 C ALA A 15 9.759 3.958 -18.580 1.00 0.00 C ATOM 226 O ALA A 15 8.731 4.160 -19.226 1.00 0.00 O ATOM 227 CB ALA A 15 12.006 4.405 -19.570 1.00 0.00 C ATOM 0 H ALA A 15 12.451 4.966 -17.196 1.00 0.00 H new ATOM 0 HA ALA A 15 10.577 5.900 -19.016 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.592 4.273 -20.570 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.833 5.114 -19.610 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.368 3.447 -19.198 1.00 0.00 H new ATOM 233 N PHE A 16 9.936 2.897 -17.797 1.00 0.00 N ATOM 234 CA PHE A 16 8.905 1.877 -17.645 1.00 0.00 C ATOM 235 C PHE A 16 7.716 2.426 -16.906 1.00 0.00 C ATOM 236 O PHE A 16 6.620 2.490 -17.446 1.00 0.00 O ATOM 237 CB PHE A 16 9.450 0.700 -16.858 1.00 0.00 C ATOM 238 CG PHE A 16 8.384 -0.344 -16.649 1.00 0.00 C ATOM 239 CD1 PHE A 16 7.974 -1.144 -17.715 1.00 0.00 C ATOM 240 CD2 PHE A 16 7.870 -0.558 -15.365 1.00 0.00 C ATOM 241 CE1 PHE A 16 7.049 -2.170 -17.500 1.00 0.00 C ATOM 242 CE2 PHE A 16 6.936 -1.573 -15.151 1.00 0.00 C ATOM 243 CZ PHE A 16 6.531 -2.386 -16.219 1.00 0.00 C ATOM 0 H PHE A 16 10.784 2.722 -17.258 1.00 0.00 H new ATOM 0 HA PHE A 16 8.602 1.559 -18.642 1.00 0.00 H new ATOM 0 HB2 PHE A 16 10.295 0.262 -17.389 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.823 1.043 -15.893 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.370 -0.971 -18.705 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.195 0.061 -14.542 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.735 -2.795 -18.323 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.526 -1.732 -14.165 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.818 -3.180 -16.052 1.00 0.00 H new ATOM 253 N VAL A 17 7.926 2.822 -15.666 1.00 0.00 N ATOM 254 CA VAL A 17 6.833 3.359 -14.893 1.00 0.00 C ATOM 255 C VAL A 17 6.215 4.500 -15.666 1.00 0.00 C ATOM 256 O VAL A 17 4.999 4.624 -15.719 1.00 0.00 O ATOM 257 CB VAL A 17 7.318 3.821 -13.531 1.00 0.00 C ATOM 258 CG1 VAL A 17 8.119 2.694 -12.888 1.00 0.00 C ATOM 259 CG2 VAL A 17 8.206 5.035 -13.707 1.00 0.00 C ATOM 0 H VAL A 17 8.824 2.782 -15.184 1.00 0.00 H new ATOM 0 HA VAL A 17 6.083 2.587 -14.724 1.00 0.00 H new ATOM 0 HB VAL A 17 6.470 4.080 -12.897 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.474 3.013 -11.908 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.485 1.815 -12.776 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.972 2.447 -13.520 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.558 5.373 -12.732 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.061 4.773 -14.331 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.639 5.834 -14.185 1.00 0.00 H new ATOM 269 N ASP A 18 7.060 5.307 -16.308 1.00 0.00 N ATOM 270 CA ASP A 18 6.546 6.390 -17.119 1.00 0.00 C ATOM 271 C ASP A 18 5.733 5.757 -18.230 1.00 0.00 C ATOM 272 O ASP A 18 4.601 6.152 -18.502 1.00 0.00 O ATOM 273 CB ASP A 18 7.671 7.234 -17.728 1.00 0.00 C ATOM 274 CG ASP A 18 7.082 8.237 -18.705 1.00 0.00 C ATOM 275 OD1 ASP A 18 6.703 9.309 -18.266 1.00 0.00 O ATOM 276 OD2 ASP A 18 7.002 7.921 -19.877 1.00 0.00 O ATOM 0 H ASP A 18 8.077 5.229 -16.280 1.00 0.00 H new ATOM 0 HA ASP A 18 5.946 7.058 -16.500 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.216 7.755 -16.941 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.387 6.590 -18.239 1.00 0.00 H new ATOM 281 N TYR A 19 6.316 4.728 -18.837 1.00 0.00 N ATOM 282 CA TYR A 19 5.633 3.990 -19.881 1.00 0.00 C ATOM 283 C TYR A 19 4.327 3.467 -19.298 1.00 0.00 C ATOM 284 O TYR A 19 3.237 3.810 -19.753 1.00 0.00 O ATOM 285 CB TYR A 19 6.499 2.815 -20.361 1.00 0.00 C ATOM 286 CG TYR A 19 5.604 1.635 -20.619 1.00 0.00 C ATOM 287 CD1 TYR A 19 4.604 1.746 -21.579 1.00 0.00 C ATOM 288 CD2 TYR A 19 5.745 0.458 -19.881 1.00 0.00 C ATOM 289 CE1 TYR A 19 3.738 0.686 -21.816 1.00 0.00 C ATOM 290 CE2 TYR A 19 4.877 -0.615 -20.117 1.00 0.00 C ATOM 291 CZ TYR A 19 3.868 -0.499 -21.089 1.00 0.00 C ATOM 292 OH TYR A 19 3.005 -1.547 -21.339 1.00 0.00 O ATOM 0 H TYR A 19 7.255 4.392 -18.622 1.00 0.00 H new ATOM 0 HA TYR A 19 5.441 4.638 -20.736 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.037 3.088 -21.269 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.248 2.565 -19.609 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.500 2.661 -22.143 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.519 0.376 -19.132 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.964 0.779 -22.563 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.982 -1.530 -19.553 1.00 0.00 H new ATOM 0 HH TYR A 19 3.346 -2.361 -20.912 1.00 0.00 H new ATOM 302 N MET A 20 4.451 2.654 -18.262 1.00 0.00 N ATOM 303 CA MET A 20 3.290 2.113 -17.586 1.00 0.00 C ATOM 304 C MET A 20 2.341 3.261 -17.294 1.00 0.00 C ATOM 305 O MET A 20 1.146 3.200 -17.581 1.00 0.00 O ATOM 306 CB MET A 20 3.724 1.450 -16.285 1.00 0.00 C ATOM 307 CG MET A 20 4.724 0.331 -16.590 1.00 0.00 C ATOM 308 SD MET A 20 4.206 -1.193 -15.770 1.00 0.00 S ATOM 309 CE MET A 20 2.581 -1.323 -16.529 1.00 0.00 C ATOM 0 H MET A 20 5.345 2.356 -17.873 1.00 0.00 H new ATOM 0 HA MET A 20 2.795 1.367 -18.208 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.178 2.187 -15.623 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.857 1.045 -15.764 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.788 0.172 -17.666 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.719 0.618 -16.250 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.216 -2.346 -16.435 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.890 -0.644 -16.029 1.00 0.00 H new ATOM 0 HE3 MET A 20 2.650 -1.058 -17.584 1.00 0.00 H new ATOM 319 N ALA A 21 2.904 4.322 -16.740 1.00 0.00 N ATOM 320 CA ALA A 21 2.140 5.510 -16.419 1.00 0.00 C ATOM 321 C ALA A 21 1.498 6.052 -17.685 1.00 0.00 C ATOM 322 O ALA A 21 0.397 6.602 -17.651 1.00 0.00 O ATOM 323 CB ALA A 21 3.066 6.551 -15.800 1.00 0.00 C ATOM 0 H ALA A 21 3.894 4.382 -16.503 1.00 0.00 H new ATOM 0 HA ALA A 21 1.354 5.268 -15.703 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.495 7.447 -15.557 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.512 6.147 -14.891 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.854 6.804 -16.509 1.00 0.00 H new ATOM 329 N THR A 22 2.176 5.846 -18.809 1.00 0.00 N ATOM 330 CA THR A 22 1.664 6.259 -20.094 1.00 0.00 C ATOM 331 C THR A 22 0.446 5.391 -20.379 1.00 0.00 C ATOM 332 O THR A 22 -0.563 5.850 -20.919 1.00 0.00 O ATOM 333 CB THR A 22 2.773 6.071 -21.142 1.00 0.00 C ATOM 334 OG1 THR A 22 3.032 7.305 -21.803 1.00 0.00 O ATOM 335 CG2 THR A 22 2.371 5.013 -22.166 1.00 0.00 C ATOM 0 H THR A 22 3.088 5.391 -18.847 1.00 0.00 H new ATOM 0 HA THR A 22 1.368 7.308 -20.117 1.00 0.00 H new ATOM 0 HB THR A 22 3.677 5.738 -20.632 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.741 7.178 -22.468 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.169 4.895 -22.899 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.200 4.063 -21.660 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.457 5.325 -22.672 1.00 0.00 H new ATOM 343 N GLN A 23 0.544 4.135 -19.934 1.00 0.00 N ATOM 344 CA GLN A 23 -0.555 3.187 -20.057 1.00 0.00 C ATOM 345 C GLN A 23 -1.579 3.527 -18.990 1.00 0.00 C ATOM 346 O GLN A 23 -2.573 2.825 -18.812 1.00 0.00 O ATOM 347 CB GLN A 23 -0.069 1.752 -19.830 1.00 0.00 C ATOM 348 CG GLN A 23 0.883 1.327 -20.952 1.00 0.00 C ATOM 349 CD GLN A 23 0.168 0.402 -21.932 1.00 0.00 C ATOM 350 OE1 GLN A 23 -0.653 -0.423 -21.526 1.00 0.00 O ATOM 351 NE2 GLN A 23 0.425 0.493 -23.203 1.00 0.00 N ATOM 0 H GLN A 23 1.377 3.755 -19.485 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.980 3.253 -21.059 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.438 1.681 -18.868 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.922 1.074 -19.792 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.253 2.208 -21.477 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.750 0.820 -20.529 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.104 1.176 -23.538 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.053 -0.118 -23.865 1.00 0.00 H new ATOM 360 N GLY A 24 -1.290 4.591 -18.249 1.00 0.00 N ATOM 361 CA GLY A 24 -2.145 5.014 -17.160 1.00 0.00 C ATOM 362 C GLY A 24 -1.819 4.193 -15.931 1.00 0.00 C ATOM 363 O GLY A 24 -2.401 4.373 -14.868 1.00 0.00 O ATOM 0 H GLY A 24 -0.465 5.175 -18.388 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.997 6.074 -16.955 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.193 4.885 -17.432 1.00 0.00 H new ATOM 367 N VAL A 25 -0.863 3.300 -16.106 1.00 0.00 N ATOM 368 CA VAL A 25 -0.404 2.429 -15.044 1.00 0.00 C ATOM 369 C VAL A 25 0.714 3.106 -14.289 1.00 0.00 C ATOM 370 O VAL A 25 1.848 3.185 -14.751 1.00 0.00 O ATOM 371 CB VAL A 25 0.061 1.129 -15.673 1.00 0.00 C ATOM 372 CG1 VAL A 25 0.214 0.074 -14.602 1.00 0.00 C ATOM 373 CG2 VAL A 25 -0.972 0.674 -16.711 1.00 0.00 C ATOM 0 H VAL A 25 -0.382 3.159 -16.994 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.204 2.217 -14.334 1.00 0.00 H new ATOM 0 HB VAL A 25 1.023 1.280 -16.162 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.548 -0.859 -15.056 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.949 0.404 -13.868 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.745 -0.085 -14.109 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.643 -0.260 -17.166 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.935 0.521 -16.223 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.074 1.438 -17.482 1.00 0.00 H new ATOM 383 N ILE A 26 0.362 3.635 -13.143 1.00 0.00 N ATOM 384 CA ILE A 26 1.304 4.371 -12.343 1.00 0.00 C ATOM 385 C ILE A 26 2.226 3.488 -11.529 1.00 0.00 C ATOM 386 O ILE A 26 1.806 2.811 -10.592 1.00 0.00 O ATOM 387 CB ILE A 26 0.561 5.294 -11.391 1.00 0.00 C ATOM 388 CG1 ILE A 26 -0.675 5.892 -12.085 1.00 0.00 C ATOM 389 CG2 ILE A 26 1.521 6.395 -10.978 1.00 0.00 C ATOM 390 CD1 ILE A 26 -1.880 4.969 -11.862 1.00 0.00 C ATOM 0 H ILE A 26 -0.574 3.568 -12.744 1.00 0.00 H new ATOM 0 HA ILE A 26 1.921 4.933 -13.044 1.00 0.00 H new ATOM 0 HB ILE A 26 0.216 4.743 -10.516 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.885 6.885 -11.687 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.485 6.010 -13.152 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.019 7.078 -10.292 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.387 5.956 -10.483 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.848 6.943 -11.862 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.757 5.391 -12.353 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.667 3.985 -12.281 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.073 4.874 -10.793 1.00 0.00 H new ATOM 402 N LEU A 27 3.498 3.579 -11.853 1.00 0.00 N ATOM 403 CA LEU A 27 4.527 2.872 -11.121 1.00 0.00 C ATOM 404 C LEU A 27 5.388 3.920 -10.455 1.00 0.00 C ATOM 405 O LEU A 27 4.995 5.086 -10.375 1.00 0.00 O ATOM 406 CB LEU A 27 5.401 2.037 -12.041 1.00 0.00 C ATOM 407 CG LEU A 27 4.867 0.619 -12.124 1.00 0.00 C ATOM 408 CD1 LEU A 27 4.394 0.382 -13.545 1.00 0.00 C ATOM 409 CD2 LEU A 27 5.995 -0.351 -11.765 1.00 0.00 C ATOM 0 H LEU A 27 3.847 4.143 -12.628 1.00 0.00 H new ATOM 0 HA LEU A 27 4.063 2.195 -10.404 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.426 2.483 -13.035 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.426 2.027 -11.671 1.00 0.00 H new ATOM 0 HG LEU A 27 4.038 0.465 -11.433 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.004 -0.632 -13.634 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.608 1.096 -13.791 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.230 0.511 -14.233 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.626 -1.375 -11.820 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.820 -0.225 -12.466 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.343 -0.145 -10.753 1.00 0.00 H new ATOM 421 N THR A 28 6.568 3.532 -10.027 1.00 0.00 N ATOM 422 CA THR A 28 7.490 4.471 -9.418 1.00 0.00 C ATOM 423 C THR A 28 8.763 3.739 -9.034 1.00 0.00 C ATOM 424 O THR A 28 8.765 2.512 -8.901 1.00 0.00 O ATOM 425 CB THR A 28 6.864 5.127 -8.176 1.00 0.00 C ATOM 426 OG1 THR A 28 5.964 6.152 -8.577 1.00 0.00 O ATOM 427 CG2 THR A 28 7.945 5.748 -7.284 1.00 0.00 C ATOM 0 H THR A 28 6.914 2.574 -10.088 1.00 0.00 H new ATOM 0 HA THR A 28 7.719 5.259 -10.136 1.00 0.00 H new ATOM 0 HB THR A 28 6.335 4.356 -7.616 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.683 5.997 -9.503 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.478 6.206 -6.412 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.638 4.972 -6.959 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.488 6.508 -7.846 1.00 0.00 H new ATOM 435 N ILE A 29 9.841 4.486 -8.866 1.00 0.00 N ATOM 436 CA ILE A 29 11.113 3.889 -8.506 1.00 0.00 C ATOM 437 C ILE A 29 11.360 4.002 -7.011 1.00 0.00 C ATOM 438 O ILE A 29 11.472 5.103 -6.473 1.00 0.00 O ATOM 439 CB ILE A 29 12.250 4.581 -9.264 1.00 0.00 C ATOM 440 CG1 ILE A 29 11.698 5.241 -10.529 1.00 0.00 C ATOM 441 CG2 ILE A 29 13.309 3.551 -9.654 1.00 0.00 C ATOM 442 CD1 ILE A 29 11.078 4.179 -11.442 1.00 0.00 C ATOM 0 H ILE A 29 9.860 5.500 -8.973 1.00 0.00 H new ATOM 0 HA ILE A 29 11.082 2.834 -8.777 1.00 0.00 H new ATOM 0 HB ILE A 29 12.698 5.340 -8.622 1.00 0.00 H new ATOM 0 HG12 ILE A 29 10.949 5.987 -10.263 1.00 0.00 H new ATOM 0 HG13 ILE A 29 12.497 5.764 -11.055 1.00 0.00 H new ATOM 0 HG21 ILE A 29 14.117 4.046 -10.193 1.00 0.00 H new ATOM 0 HG22 ILE A 29 13.708 3.081 -8.755 1.00 0.00 H new ATOM 0 HG23 ILE A 29 12.859 2.791 -10.292 1.00 0.00 H new ATOM 0 HD11 ILE A 29 10.687 4.655 -12.341 1.00 0.00 H new ATOM 0 HD12 ILE A 29 11.838 3.449 -11.720 1.00 0.00 H new ATOM 0 HD13 ILE A 29 10.267 3.676 -10.916 1.00 0.00 H new ATOM 536 N SER A 35 16.942 -0.027 -8.917 1.00 0.00 N ATOM 537 CA SER A 35 15.747 0.725 -9.264 1.00 0.00 C ATOM 538 C SER A 35 14.507 -0.094 -8.951 1.00 0.00 C ATOM 539 O SER A 35 13.862 -0.616 -9.857 1.00 0.00 O ATOM 540 CB SER A 35 15.778 1.097 -10.746 1.00 0.00 C ATOM 541 OG SER A 35 17.106 0.941 -11.238 1.00 0.00 O ATOM 0 HA SER A 35 15.718 1.640 -8.673 1.00 0.00 H new ATOM 0 HB2 SER A 35 15.092 0.463 -11.307 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.445 2.126 -10.883 1.00 0.00 H new ATOM 0 HG SER A 35 17.171 0.105 -11.745 1.00 0.00 H new ATOM 547 N ASP A 36 14.168 -0.196 -7.667 1.00 0.00 N ATOM 548 CA ASP A 36 12.978 -0.935 -7.287 1.00 0.00 C ATOM 549 C ASP A 36 11.803 -0.229 -7.913 1.00 0.00 C ATOM 550 O ASP A 36 11.664 0.985 -7.788 1.00 0.00 O ATOM 551 CB ASP A 36 12.798 -0.991 -5.771 1.00 0.00 C ATOM 552 CG ASP A 36 13.980 -1.680 -5.104 1.00 0.00 C ATOM 553 OD1 ASP A 36 14.817 -2.216 -5.808 1.00 0.00 O ATOM 554 OD2 ASP A 36 14.028 -1.666 -3.886 1.00 0.00 O ATOM 0 H ASP A 36 14.690 0.215 -6.893 1.00 0.00 H new ATOM 0 HA ASP A 36 13.063 -1.965 -7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.692 0.020 -5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.879 -1.525 -5.530 1.00 0.00 H new ATOM 559 N VAL A 37 10.993 -0.966 -8.627 1.00 0.00 N ATOM 560 CA VAL A 37 9.872 -0.374 -9.317 1.00 0.00 C ATOM 561 C VAL A 37 8.561 -0.860 -8.722 1.00 0.00 C ATOM 562 O VAL A 37 8.226 -2.050 -8.763 1.00 0.00 O ATOM 563 CB VAL A 37 10.031 -0.704 -10.798 1.00 0.00 C ATOM 564 CG1 VAL A 37 9.163 0.204 -11.657 1.00 0.00 C ATOM 565 CG2 VAL A 37 11.503 -0.461 -11.146 1.00 0.00 C ATOM 0 H VAL A 37 11.086 -1.975 -8.747 1.00 0.00 H new ATOM 0 HA VAL A 37 9.851 0.710 -9.201 1.00 0.00 H new ATOM 0 HB VAL A 37 9.728 -1.734 -10.988 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.296 -0.053 -12.708 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.116 0.074 -11.381 1.00 0.00 H new ATOM 0 HG13 VAL A 37 9.454 1.242 -11.498 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.669 -0.684 -12.200 1.00 0.00 H new ATOM 0 HG22 VAL A 37 11.756 0.581 -10.951 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.133 -1.107 -10.535 1.00 0.00 H new ATOM 575 N TRP A 38 7.852 0.085 -8.127 1.00 0.00 N ATOM 576 CA TRP A 38 6.592 -0.197 -7.464 1.00 0.00 C ATOM 577 C TRP A 38 5.410 0.242 -8.319 1.00 0.00 C ATOM 578 O TRP A 38 5.548 1.105 -9.184 1.00 0.00 O ATOM 579 CB TRP A 38 6.565 0.553 -6.133 1.00 0.00 C ATOM 580 CG TRP A 38 7.408 -0.154 -5.136 1.00 0.00 C ATOM 581 CD1 TRP A 38 8.679 -0.585 -5.317 1.00 0.00 C ATOM 582 CD2 TRP A 38 7.042 -0.511 -3.794 1.00 0.00 C ATOM 583 NE1 TRP A 38 9.112 -1.178 -4.142 1.00 0.00 N ATOM 584 CE2 TRP A 38 8.129 -1.157 -3.173 1.00 0.00 C ATOM 585 CE3 TRP A 38 5.870 -0.323 -3.070 1.00 0.00 C ATOM 586 CZ2 TRP A 38 8.046 -1.612 -1.858 1.00 0.00 C ATOM 587 CZ3 TRP A 38 5.774 -0.771 -1.758 1.00 0.00 C ATOM 588 CH2 TRP A 38 6.860 -1.414 -1.143 1.00 0.00 C ATOM 0 H TRP A 38 8.133 1.065 -8.090 1.00 0.00 H new ATOM 0 HA TRP A 38 6.510 -1.272 -7.302 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.928 1.571 -6.272 1.00 0.00 H new ATOM 0 HB3 TRP A 38 5.540 0.627 -5.768 1.00 0.00 H new ATOM 0 HD1 TRP A 38 9.257 -0.484 -6.224 1.00 0.00 H new ATOM 0 HE1 TRP A 38 10.040 -1.580 -4.010 1.00 0.00 H new ATOM 0 HE3 TRP A 38 5.029 0.174 -3.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.886 -2.111 -1.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.857 -0.623 -1.207 1.00 0.00 H new ATOM 0 HH2 TRP A 38 6.780 -1.755 -0.121 1.00 0.00 H new ATOM 599 N LEU A 39 4.250 -0.347 -8.046 1.00 0.00 N ATOM 600 CA LEU A 39 3.023 -0.012 -8.770 1.00 0.00 C ATOM 601 C LEU A 39 2.110 0.786 -7.861 1.00 0.00 C ATOM 602 O LEU A 39 1.883 0.411 -6.707 1.00 0.00 O ATOM 603 CB LEU A 39 2.281 -1.293 -9.187 1.00 0.00 C ATOM 604 CG LEU A 39 1.716 -1.200 -10.606 1.00 0.00 C ATOM 605 CD1 LEU A 39 0.622 -2.241 -10.768 1.00 0.00 C ATOM 606 CD2 LEU A 39 1.084 0.152 -10.849 1.00 0.00 C ATOM 0 H LEU A 39 4.131 -1.061 -7.327 1.00 0.00 H new ATOM 0 HA LEU A 39 3.288 0.564 -9.656 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.962 -2.142 -9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.468 -1.484 -8.486 1.00 0.00 H new ATOM 0 HG LEU A 39 2.534 -1.357 -11.308 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.212 -2.184 -11.776 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.038 -3.235 -10.601 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.170 -2.053 -10.043 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.690 0.192 -11.865 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.272 0.307 -10.139 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.834 0.933 -10.719 1.00 0.00 H new ATOM 618 N ALA A 40 1.560 1.850 -8.398 1.00 0.00 N ATOM 619 CA ALA A 40 0.625 2.668 -7.656 1.00 0.00 C ATOM 620 C ALA A 40 -0.759 2.232 -8.076 1.00 0.00 C ATOM 621 O ALA A 40 -1.658 2.042 -7.254 1.00 0.00 O ATOM 622 CB ALA A 40 0.843 4.139 -7.981 1.00 0.00 C ATOM 0 H ALA A 40 1.744 2.171 -9.349 1.00 0.00 H new ATOM 0 HA ALA A 40 0.761 2.548 -6.581 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.134 4.745 -7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.860 4.424 -7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.692 4.302 -9.048 1.00 0.00 H new ATOM 628 N ASP A 41 -0.886 2.018 -9.376 1.00 0.00 N ATOM 629 CA ASP A 41 -2.123 1.536 -9.949 1.00 0.00 C ATOM 630 C ASP A 41 -2.272 0.068 -9.603 1.00 0.00 C ATOM 631 O ASP A 41 -2.195 -0.792 -10.471 1.00 0.00 O ATOM 632 CB ASP A 41 -2.091 1.674 -11.471 1.00 0.00 C ATOM 633 CG ASP A 41 -3.506 1.612 -12.031 1.00 0.00 C ATOM 634 OD1 ASP A 41 -4.373 1.070 -11.366 1.00 0.00 O ATOM 635 OD2 ASP A 41 -3.708 2.102 -13.126 1.00 0.00 O ATOM 0 H ASP A 41 -0.140 2.173 -10.054 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.955 2.118 -9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.623 2.618 -11.749 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.485 0.878 -11.904 1.00 0.00 H new ATOM 640 N GLU A 42 -2.439 -0.225 -8.332 1.00 0.00 N ATOM 641 CA GLU A 42 -2.556 -1.607 -7.909 1.00 0.00 C ATOM 642 C GLU A 42 -3.533 -2.370 -8.778 1.00 0.00 C ATOM 643 O GLU A 42 -3.403 -3.580 -8.945 1.00 0.00 O ATOM 644 CB GLU A 42 -2.942 -1.663 -6.444 1.00 0.00 C ATOM 645 CG GLU A 42 -1.650 -1.521 -5.642 1.00 0.00 C ATOM 646 CD GLU A 42 -1.936 -1.263 -4.168 1.00 0.00 C ATOM 647 OE1 GLU A 42 -3.084 -1.341 -3.775 1.00 0.00 O ATOM 648 OE2 GLU A 42 -0.996 -0.993 -3.442 1.00 0.00 O ATOM 0 H GLU A 42 -2.496 0.463 -7.581 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.588 -2.094 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.640 -0.863 -6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.440 -2.604 -6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.054 -2.428 -5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.056 -0.702 -6.048 1.00 0.00 H new ATOM 655 N SER A 43 -4.465 -1.665 -9.382 1.00 0.00 N ATOM 656 CA SER A 43 -5.393 -2.308 -10.289 1.00 0.00 C ATOM 657 C SER A 43 -4.570 -2.975 -11.384 1.00 0.00 C ATOM 658 O SER A 43 -4.902 -4.044 -11.899 1.00 0.00 O ATOM 659 CB SER A 43 -6.292 -1.251 -10.908 1.00 0.00 C ATOM 660 OG SER A 43 -6.213 -0.057 -10.138 1.00 0.00 O ATOM 0 H SER A 43 -4.600 -0.661 -9.265 1.00 0.00 H new ATOM 0 HA SER A 43 -6.008 -3.041 -9.767 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.988 -1.055 -11.936 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.321 -1.608 -10.943 1.00 0.00 H new ATOM 0 HG SER A 43 -5.705 0.619 -10.634 1.00 0.00 H new ATOM 666 N GLN A 44 -3.481 -2.302 -11.712 1.00 0.00 N ATOM 667 CA GLN A 44 -2.549 -2.737 -12.717 1.00 0.00 C ATOM 668 C GLN A 44 -1.495 -3.669 -12.126 1.00 0.00 C ATOM 669 O GLN A 44 -0.675 -4.217 -12.851 1.00 0.00 O ATOM 670 CB GLN A 44 -1.880 -1.500 -13.274 1.00 0.00 C ATOM 671 CG GLN A 44 -2.748 -0.826 -14.337 1.00 0.00 C ATOM 672 CD GLN A 44 -4.239 -1.011 -14.082 1.00 0.00 C ATOM 673 OE1 GLN A 44 -4.756 -2.126 -14.136 1.00 0.00 O ATOM 674 NE2 GLN A 44 -4.966 0.028 -13.832 1.00 0.00 N ATOM 0 H GLN A 44 -3.222 -1.419 -11.272 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.075 -3.290 -13.496 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.681 -0.797 -12.465 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.916 -1.769 -13.706 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.518 0.239 -14.366 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.498 -1.233 -15.317 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.537 0.952 -13.787 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.969 -0.076 -13.679 1.00 0.00 H new ATOM 683 N ALA A 45 -1.520 -3.837 -10.810 1.00 0.00 N ATOM 684 CA ALA A 45 -0.560 -4.703 -10.122 1.00 0.00 C ATOM 685 C ALA A 45 -0.226 -5.898 -10.973 1.00 0.00 C ATOM 686 O ALA A 45 0.888 -6.035 -11.471 1.00 0.00 O ATOM 687 CB ALA A 45 -1.199 -5.196 -8.843 1.00 0.00 C ATOM 0 H ALA A 45 -2.195 -3.385 -10.193 1.00 0.00 H new ATOM 0 HA ALA A 45 0.351 -4.140 -9.920 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.500 -5.844 -8.314 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.454 -4.345 -8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.104 -5.755 -9.080 1.00 0.00 H new ATOM 693 N GLU A 46 -1.217 -6.730 -11.146 1.00 0.00 N ATOM 694 CA GLU A 46 -1.087 -7.924 -11.951 1.00 0.00 C ATOM 695 C GLU A 46 -0.540 -7.566 -13.319 1.00 0.00 C ATOM 696 O GLU A 46 0.329 -8.245 -13.864 1.00 0.00 O ATOM 697 CB GLU A 46 -2.475 -8.528 -12.100 1.00 0.00 C ATOM 698 CG GLU A 46 -3.379 -7.519 -12.824 1.00 0.00 C ATOM 699 CD GLU A 46 -4.802 -8.046 -12.887 1.00 0.00 C ATOM 700 OE1 GLU A 46 -5.504 -7.912 -11.904 1.00 0.00 O ATOM 701 OE2 GLU A 46 -5.175 -8.581 -13.915 1.00 0.00 O ATOM 0 H GLU A 46 -2.141 -6.603 -10.734 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.405 -8.631 -11.479 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.423 -9.460 -12.663 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.888 -8.770 -11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.360 -6.562 -12.302 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.004 -7.340 -13.832 1.00 0.00 H new ATOM 708 N ARG A 47 -1.068 -6.483 -13.853 1.00 0.00 N ATOM 709 CA ARG A 47 -0.667 -5.989 -15.152 1.00 0.00 C ATOM 710 C ARG A 47 0.811 -5.739 -15.156 1.00 0.00 C ATOM 711 O ARG A 47 1.578 -6.441 -15.795 1.00 0.00 O ATOM 712 CB ARG A 47 -1.404 -4.684 -15.437 1.00 0.00 C ATOM 713 CG ARG A 47 -1.429 -4.406 -16.933 1.00 0.00 C ATOM 714 CD ARG A 47 -1.017 -2.951 -17.129 1.00 0.00 C ATOM 715 NE ARG A 47 -1.075 -2.551 -18.528 1.00 0.00 N ATOM 716 CZ ARG A 47 -2.232 -2.225 -19.104 1.00 0.00 C ATOM 717 NH1 ARG A 47 -3.345 -2.377 -18.447 1.00 0.00 N ATOM 718 NH2 ARG A 47 -2.255 -1.754 -20.322 1.00 0.00 N ATOM 0 H ARG A 47 -1.787 -5.921 -13.397 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.911 -6.725 -15.918 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.423 -4.743 -15.054 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.915 -3.861 -14.916 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.747 -5.073 -17.460 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.425 -4.582 -17.340 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.670 -2.307 -16.540 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.004 -2.807 -16.753 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.216 -2.520 -19.077 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.329 -2.744 -17.496 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.233 -2.129 -18.884 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.384 -1.634 -20.839 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.144 -1.507 -20.756 1.00 0.00 H new ATOM 732 N VAL A 48 1.185 -4.743 -14.406 1.00 0.00 N ATOM 733 CA VAL A 48 2.562 -4.365 -14.268 1.00 0.00 C ATOM 734 C VAL A 48 3.407 -5.556 -13.896 1.00 0.00 C ATOM 735 O VAL A 48 4.334 -5.928 -14.616 1.00 0.00 O ATOM 736 CB VAL A 48 2.618 -3.313 -13.195 1.00 0.00 C ATOM 737 CG1 VAL A 48 4.021 -2.752 -13.124 1.00 0.00 C ATOM 738 CG2 VAL A 48 1.599 -2.240 -13.566 1.00 0.00 C ATOM 0 H VAL A 48 0.538 -4.166 -13.869 1.00 0.00 H new ATOM 0 HA VAL A 48 2.956 -3.980 -15.208 1.00 0.00 H new ATOM 0 HB VAL A 48 2.378 -3.718 -12.212 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.069 -1.988 -12.348 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.722 -3.553 -12.889 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.285 -2.310 -14.085 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.607 -1.454 -12.811 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.856 -1.814 -14.536 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.605 -2.684 -13.617 1.00 0.00 H new ATOM 748 N ARG A 49 3.081 -6.155 -12.768 1.00 0.00 N ATOM 749 CA ARG A 49 3.827 -7.316 -12.317 1.00 0.00 C ATOM 750 C ARG A 49 4.012 -8.280 -13.479 1.00 0.00 C ATOM 751 O ARG A 49 5.057 -8.921 -13.611 1.00 0.00 O ATOM 752 CB ARG A 49 3.102 -8.036 -11.174 1.00 0.00 C ATOM 753 CG ARG A 49 3.875 -7.854 -9.869 1.00 0.00 C ATOM 754 CD ARG A 49 3.824 -9.157 -9.080 1.00 0.00 C ATOM 755 NE ARG A 49 5.171 -9.640 -8.788 1.00 0.00 N ATOM 756 CZ ARG A 49 5.964 -10.113 -9.752 1.00 0.00 C ATOM 757 NH1 ARG A 49 5.550 -10.108 -10.993 1.00 0.00 N ATOM 758 NH2 ARG A 49 7.145 -10.580 -9.455 1.00 0.00 N ATOM 0 H ARG A 49 2.319 -5.865 -12.155 1.00 0.00 H new ATOM 0 HA ARG A 49 4.795 -6.976 -11.949 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.092 -7.640 -11.066 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.006 -9.097 -11.404 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.909 -7.580 -10.078 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.442 -7.042 -9.285 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.279 -9.002 -8.149 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.278 -9.910 -9.648 1.00 0.00 H new ATOM 0 HE ARG A 49 5.513 -9.615 -7.827 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.625 -9.744 -11.221 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.152 -10.468 -11.733 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.463 -10.584 -8.486 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.751 -10.941 -10.192 1.00 0.00 H new ATOM 772 N ALA A 50 2.994 -8.354 -14.329 1.00 0.00 N ATOM 773 CA ALA A 50 3.043 -9.213 -15.499 1.00 0.00 C ATOM 774 C ALA A 50 3.825 -8.507 -16.592 1.00 0.00 C ATOM 775 O ALA A 50 4.717 -9.091 -17.206 1.00 0.00 O ATOM 776 CB ALA A 50 1.626 -9.518 -15.992 1.00 0.00 C ATOM 0 H ALA A 50 2.126 -7.828 -14.227 1.00 0.00 H new ATOM 0 HA ALA A 50 3.530 -10.153 -15.240 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.677 -10.163 -16.869 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.067 -10.022 -15.203 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.124 -8.587 -16.255 1.00 0.00 H new ATOM 782 N GLU A 51 3.490 -7.233 -16.803 1.00 0.00 N ATOM 783 CA GLU A 51 4.168 -6.421 -17.798 1.00 0.00 C ATOM 784 C GLU A 51 5.629 -6.688 -17.750 1.00 0.00 C ATOM 785 O GLU A 51 6.210 -6.966 -18.768 1.00 0.00 O ATOM 786 CB GLU A 51 3.934 -4.932 -17.557 1.00 0.00 C ATOM 787 CG GLU A 51 2.474 -4.593 -17.904 1.00 0.00 C ATOM 788 CD GLU A 51 2.400 -3.413 -18.871 1.00 0.00 C ATOM 789 OE1 GLU A 51 3.327 -3.237 -19.643 1.00 0.00 O ATOM 790 OE2 GLU A 51 1.414 -2.701 -18.833 1.00 0.00 O ATOM 0 H GLU A 51 2.752 -6.747 -16.294 1.00 0.00 H new ATOM 0 HA GLU A 51 3.763 -6.685 -18.775 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.142 -4.682 -16.517 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.614 -4.340 -18.169 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.991 -5.463 -18.349 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.926 -4.355 -16.992 1.00 0.00 H new ATOM 797 N LEU A 52 6.228 -6.603 -16.574 1.00 0.00 N ATOM 798 CA LEU A 52 7.646 -6.842 -16.492 1.00 0.00 C ATOM 799 C LEU A 52 8.028 -7.978 -17.414 1.00 0.00 C ATOM 800 O LEU A 52 8.491 -7.734 -18.523 1.00 0.00 O ATOM 801 CB LEU A 52 8.094 -7.149 -15.077 1.00 0.00 C ATOM 802 CG LEU A 52 8.285 -5.856 -14.283 1.00 0.00 C ATOM 803 CD1 LEU A 52 9.632 -5.252 -14.657 1.00 0.00 C ATOM 804 CD2 LEU A 52 7.186 -4.834 -14.588 1.00 0.00 C ATOM 0 H LEU A 52 5.767 -6.377 -15.693 1.00 0.00 H new ATOM 0 HA LEU A 52 8.152 -5.928 -16.802 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.354 -7.780 -14.584 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.028 -7.711 -15.099 1.00 0.00 H new ATOM 0 HG LEU A 52 8.239 -6.097 -13.221 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.784 -4.328 -14.099 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.427 -5.957 -14.415 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.651 -5.038 -15.726 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.358 -3.930 -14.004 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.202 -4.589 -15.650 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.215 -5.255 -14.327 1.00 0.00 H new ATOM 816 N ALA A 53 7.818 -9.217 -16.969 1.00 0.00 N ATOM 817 CA ALA A 53 8.148 -10.379 -17.797 1.00 0.00 C ATOM 818 C ALA A 53 7.895 -10.080 -19.263 1.00 0.00 C ATOM 819 O ALA A 53 8.639 -10.538 -20.122 1.00 0.00 O ATOM 820 CB ALA A 53 7.318 -11.593 -17.383 1.00 0.00 C ATOM 0 H ALA A 53 7.427 -9.441 -16.054 1.00 0.00 H new ATOM 0 HA ALA A 53 9.205 -10.600 -17.650 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.580 -12.444 -18.011 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.523 -11.835 -16.340 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.258 -11.367 -17.502 1.00 0.00 H new ATOM 826 N ARG A 54 6.873 -9.285 -19.546 1.00 0.00 N ATOM 827 CA ARG A 54 6.582 -8.907 -20.929 1.00 0.00 C ATOM 828 C ARG A 54 7.565 -7.831 -21.315 1.00 0.00 C ATOM 829 O ARG A 54 8.375 -7.981 -22.207 1.00 0.00 O ATOM 830 CB ARG A 54 5.163 -8.352 -21.058 1.00 0.00 C ATOM 831 CG ARG A 54 4.194 -9.136 -20.168 1.00 0.00 C ATOM 832 CD ARG A 54 3.357 -10.045 -21.050 1.00 0.00 C ATOM 833 NE ARG A 54 4.231 -10.774 -21.969 1.00 0.00 N ATOM 834 CZ ARG A 54 3.837 -11.104 -23.199 1.00 0.00 C ATOM 835 NH1 ARG A 54 2.598 -10.920 -23.562 1.00 0.00 N ATOM 836 NH2 ARG A 54 4.686 -11.649 -24.028 1.00 0.00 N ATOM 0 H ARG A 54 6.238 -8.892 -18.851 1.00 0.00 H new ATOM 0 HA ARG A 54 6.664 -9.781 -21.575 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.152 -7.299 -20.777 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.838 -8.408 -22.097 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.745 -9.724 -19.434 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.553 -8.452 -19.612 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.792 -10.746 -20.435 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.631 -9.457 -21.611 1.00 0.00 H new ATOM 0 HE ARG A 54 5.167 -11.037 -21.660 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.927 -10.523 -22.904 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.299 -11.173 -24.504 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.647 -11.821 -23.734 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.388 -11.903 -24.970 1.00 0.00 H new ATOM 850 N PHE A 55 7.489 -6.769 -20.568 1.00 0.00 N ATOM 851 CA PHE A 55 8.351 -5.627 -20.700 1.00 0.00 C ATOM 852 C PHE A 55 9.798 -6.083 -20.889 1.00 0.00 C ATOM 853 O PHE A 55 10.629 -5.357 -21.434 1.00 0.00 O ATOM 854 CB PHE A 55 8.160 -4.813 -19.417 1.00 0.00 C ATOM 855 CG PHE A 55 9.413 -4.122 -19.000 1.00 0.00 C ATOM 856 CD1 PHE A 55 9.977 -3.186 -19.834 1.00 0.00 C ATOM 857 CD2 PHE A 55 10.008 -4.441 -17.783 1.00 0.00 C ATOM 858 CE1 PHE A 55 11.168 -2.558 -19.464 1.00 0.00 C ATOM 859 CE2 PHE A 55 11.190 -3.822 -17.398 1.00 0.00 C ATOM 860 CZ PHE A 55 11.779 -2.876 -18.245 1.00 0.00 C ATOM 0 H PHE A 55 6.800 -6.669 -19.822 1.00 0.00 H new ATOM 0 HA PHE A 55 8.111 -5.019 -21.572 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.373 -4.075 -19.570 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.826 -5.473 -18.616 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.501 -2.938 -20.771 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.549 -5.173 -17.135 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.618 -1.826 -20.119 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.651 -4.068 -16.453 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.702 -2.393 -17.959 1.00 0.00 H new