USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 456 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 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -2.34! K(o=-2.3!,f=-3.6) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.759 X(o=-0.76,f=-0.37) USER MOD Single : A 42 SER OG : rot -164:sc= -0.68 USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= -0.073 (180deg=-0.55) USER MOD Single : A 48 CYS SG : rot 170:sc= -1.75 USER MOD Single : A 51 HIS : no HD1:sc= -0.0554 X(o=-0.055,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.241 K(o=-0.24,f=-1.7) USER MOD Single : A 63 GLN : amide:sc= -1.9! K(o=-1.9!,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 11.574 4.395 -3.043 1.00 0.00 N ATOM 60 CA GLY A 7 10.282 3.843 -2.677 1.00 0.00 C ATOM 61 C GLY A 7 9.815 4.315 -1.314 1.00 0.00 C ATOM 62 O GLY A 7 10.549 4.217 -0.330 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.544 4.125 -3.428 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.341 2.755 -2.681 1.00 0.00 H new ATOM 66 N LEU A 8 8.592 4.830 -1.256 1.00 0.00 N ATOM 67 CA LEU A 8 8.028 5.321 -0.003 1.00 0.00 C ATOM 68 C LEU A 8 7.504 4.168 0.847 1.00 0.00 C ATOM 69 O LEU A 8 7.444 3.024 0.393 1.00 0.00 O ATOM 70 CB LEU A 8 6.901 6.316 -0.284 1.00 0.00 C ATOM 71 CG LEU A 8 7.334 7.740 -0.631 1.00 0.00 C ATOM 72 CD1 LEU A 8 8.127 8.351 0.513 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.151 7.751 -1.915 1.00 0.00 C ATOM 0 H LEU A 8 7.972 4.919 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 8 8.820 5.825 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.299 5.930 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.254 6.358 0.592 1.00 0.00 H new ATOM 0 HG LEU A 8 6.440 8.343 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.427 9.365 0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.509 8.379 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.015 7.748 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.451 8.773 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.039 7.133 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.549 7.355 -2.733 1.00 0.00 H new ATOM 85 N LEU A 9 7.124 4.476 2.082 1.00 0.00 N ATOM 86 CA LEU A 9 6.602 3.465 2.997 1.00 0.00 C ATOM 87 C LEU A 9 5.286 3.921 3.617 1.00 0.00 C ATOM 88 O LEU A 9 5.238 4.923 4.330 1.00 0.00 O ATOM 89 CB LEU A 9 7.623 3.169 4.097 1.00 0.00 C ATOM 90 CG LEU A 9 9.037 2.827 3.627 1.00 0.00 C ATOM 91 CD1 LEU A 9 10.004 2.826 4.800 1.00 0.00 C ATOM 92 CD2 LEU A 9 9.052 1.480 2.919 1.00 0.00 C ATOM 0 H LEU A 9 7.167 5.417 2.473 1.00 0.00 H new ATOM 0 HA LEU A 9 6.417 2.554 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.680 4.036 4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.250 2.339 4.697 1.00 0.00 H new ATOM 0 HG LEU A 9 9.359 3.591 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.005 2.580 4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.015 3.812 5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.686 2.084 5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.066 1.253 2.591 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.710 0.705 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.391 1.517 2.053 1.00 0.00 H new ATOM 104 N ALA A 10 4.219 3.177 3.343 1.00 0.00 N ATOM 105 CA ALA A 10 2.903 3.501 3.878 1.00 0.00 C ATOM 106 C ALA A 10 2.370 2.369 4.750 1.00 0.00 C ATOM 107 O ALA A 10 2.877 1.248 4.706 1.00 0.00 O ATOM 108 CB ALA A 10 1.932 3.800 2.745 1.00 0.00 C ATOM 0 H ALA A 10 4.241 2.345 2.753 1.00 0.00 H new ATOM 0 HA ALA A 10 3.001 4.389 4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.953 4.040 3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.299 4.647 2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.848 2.927 2.098 1.00 0.00 H new ATOM 114 N ARG A 11 1.346 2.670 5.541 1.00 0.00 N ATOM 115 CA ARG A 11 0.746 1.678 6.425 1.00 0.00 C ATOM 116 C ARG A 11 -0.605 1.216 5.886 1.00 0.00 C ATOM 117 O ARG A 11 -1.190 1.860 5.016 1.00 0.00 O ATOM 118 CB ARG A 11 0.576 2.253 7.832 1.00 0.00 C ATOM 119 CG ARG A 11 0.093 1.235 8.852 1.00 0.00 C ATOM 120 CD ARG A 11 0.034 1.832 10.250 1.00 0.00 C ATOM 121 NE ARG A 11 -1.170 2.633 10.452 1.00 0.00 N ATOM 122 CZ ARG A 11 -1.637 2.969 11.650 1.00 0.00 C ATOM 123 NH1 ARG A 11 -1.004 2.575 12.746 1.00 0.00 N ATOM 124 NH2 ARG A 11 -2.739 3.701 11.752 1.00 0.00 N ATOM 0 H ARG A 11 0.914 3.593 5.588 1.00 0.00 H new ATOM 0 HA ARG A 11 1.414 0.818 6.470 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.529 2.664 8.165 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.132 3.081 7.794 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.895 0.874 8.567 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.760 0.373 8.851 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.064 1.031 10.988 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.915 2.452 10.417 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.681 2.952 9.629 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.156 2.013 12.671 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.365 2.834 13.664 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.228 4.006 10.911 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.097 3.959 12.672 1.00 0.00 H new ATOM 138 N ALA A 12 -1.093 0.096 6.409 1.00 0.00 N ATOM 139 CA ALA A 12 -2.375 -0.451 5.982 1.00 0.00 C ATOM 140 C ALA A 12 -3.413 -0.351 7.095 1.00 0.00 C ATOM 141 O ALA A 12 -3.433 -1.170 8.015 1.00 0.00 O ATOM 142 CB ALA A 12 -2.210 -1.897 5.540 1.00 0.00 C ATOM 0 H ALA A 12 -0.620 -0.450 7.129 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.730 0.138 5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.175 -2.293 5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.508 -1.945 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.829 -2.490 6.371 1.00 0.00 H new ATOM 148 N LEU A 13 -4.273 0.657 7.006 1.00 0.00 N ATOM 149 CA LEU A 13 -5.314 0.865 8.007 1.00 0.00 C ATOM 150 C LEU A 13 -6.333 -0.270 7.976 1.00 0.00 C ATOM 151 O LEU A 13 -7.069 -0.483 8.940 1.00 0.00 O ATOM 152 CB LEU A 13 -6.017 2.202 7.770 1.00 0.00 C ATOM 153 CG LEU A 13 -5.107 3.422 7.621 1.00 0.00 C ATOM 154 CD1 LEU A 13 -5.913 4.642 7.204 1.00 0.00 C ATOM 155 CD2 LEU A 13 -4.360 3.692 8.919 1.00 0.00 C ATOM 0 H LEU A 13 -4.270 1.343 6.251 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.842 0.879 8.989 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.625 2.115 6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.700 2.383 8.600 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.375 3.212 6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.248 5.500 7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.401 4.447 6.249 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.668 4.855 7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.717 4.564 8.794 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.076 3.881 9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.750 2.825 9.175 1.00 0.00 H new ATOM 167 N TYR A 14 -6.368 -0.997 6.865 1.00 0.00 N ATOM 168 CA TYR A 14 -7.296 -2.111 6.709 1.00 0.00 C ATOM 169 C TYR A 14 -6.747 -3.144 5.729 1.00 0.00 C ATOM 170 O TYR A 14 -6.313 -2.803 4.629 1.00 0.00 O ATOM 171 CB TYR A 14 -8.656 -1.605 6.226 1.00 0.00 C ATOM 172 CG TYR A 14 -9.083 -0.306 6.872 1.00 0.00 C ATOM 173 CD1 TYR A 14 -8.741 0.918 6.311 1.00 0.00 C ATOM 174 CD2 TYR A 14 -9.830 -0.304 8.044 1.00 0.00 C ATOM 175 CE1 TYR A 14 -9.129 2.106 6.898 1.00 0.00 C ATOM 176 CE2 TYR A 14 -10.223 0.880 8.638 1.00 0.00 C ATOM 177 CZ TYR A 14 -9.870 2.082 8.061 1.00 0.00 C ATOM 178 OH TYR A 14 -10.259 3.264 8.649 1.00 0.00 O ATOM 0 H TYR A 14 -5.764 -0.835 6.059 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.418 -2.588 7.681 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.621 -1.469 5.145 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.410 -2.366 6.427 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.162 0.941 5.400 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.108 -1.244 8.498 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.854 3.049 6.449 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.803 0.864 9.549 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.775 3.072 9.460 1.00 0.00 H new ATOM 188 N ASP A 15 -6.772 -4.408 6.137 1.00 0.00 N ATOM 189 CA ASP A 15 -6.279 -5.492 5.296 1.00 0.00 C ATOM 190 C ASP A 15 -6.933 -5.451 3.918 1.00 0.00 C ATOM 191 O ASP A 15 -7.833 -4.650 3.671 1.00 0.00 O ATOM 192 CB ASP A 15 -6.546 -6.844 5.961 1.00 0.00 C ATOM 193 CG ASP A 15 -8.023 -7.187 6.002 1.00 0.00 C ATOM 194 OD1 ASP A 15 -8.634 -7.310 4.920 1.00 0.00 O ATOM 195 OD2 ASP A 15 -8.566 -7.333 7.117 1.00 0.00 O ATOM 0 H ASP A 15 -7.128 -4.707 7.045 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.204 -5.363 5.172 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.010 -7.624 5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.151 -6.831 6.977 1.00 0.00 H new ATOM 200 N ASN A 16 -6.472 -6.321 3.024 1.00 0.00 N ATOM 201 CA ASN A 16 -7.011 -6.382 1.671 1.00 0.00 C ATOM 202 C ASN A 16 -7.040 -7.820 1.162 1.00 0.00 C ATOM 203 O ASN A 16 -6.034 -8.529 1.218 1.00 0.00 O ATOM 204 CB ASN A 16 -6.178 -5.512 0.728 1.00 0.00 C ATOM 205 CG ASN A 16 -6.579 -5.685 -0.725 1.00 0.00 C ATOM 206 OD1 ASN A 16 -7.713 -6.057 -1.027 1.00 0.00 O ATOM 207 ND2 ASN A 16 -5.647 -5.416 -1.632 1.00 0.00 N ATOM 0 H ASN A 16 -5.727 -6.992 3.213 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.033 -6.003 1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.289 -4.465 1.011 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.124 -5.763 0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.858 -5.515 -2.625 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.720 -5.110 -1.336 1.00 0.00 H new ATOM 214 N CYS A 17 -8.196 -8.243 0.665 1.00 0.00 N ATOM 215 CA CYS A 17 -8.356 -9.597 0.145 1.00 0.00 C ATOM 216 C CYS A 17 -8.567 -9.578 -1.365 1.00 0.00 C ATOM 217 O CYS A 17 -9.693 -9.634 -1.860 1.00 0.00 O ATOM 218 CB CYS A 17 -9.535 -10.292 0.829 1.00 0.00 C ATOM 219 SG CYS A 17 -9.447 -12.098 0.795 1.00 0.00 S ATOM 0 H CYS A 17 -9.037 -7.668 0.611 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.443 -10.152 0.359 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.586 -9.961 1.866 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.460 -9.975 0.347 1.00 0.00 H new ATOM 0 HG CYS A 17 -10.486 -12.595 1.399 1.00 0.00 H new ATOM 225 N PRO A 18 -7.459 -9.496 -2.117 1.00 0.00 N ATOM 226 CA PRO A 18 -7.497 -9.467 -3.582 1.00 0.00 C ATOM 227 C PRO A 18 -7.920 -10.805 -4.178 1.00 0.00 C ATOM 228 O PRO A 18 -7.646 -11.863 -3.610 1.00 0.00 O ATOM 229 CB PRO A 18 -6.052 -9.143 -3.968 1.00 0.00 C ATOM 230 CG PRO A 18 -5.236 -9.627 -2.819 1.00 0.00 C ATOM 231 CD PRO A 18 -6.085 -9.426 -1.594 1.00 0.00 C ATOM 0 HA PRO A 18 -8.225 -8.747 -3.956 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.768 -9.643 -4.894 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.915 -8.074 -4.128 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.972 -10.677 -2.943 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.302 -9.071 -2.742 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.900 -10.197 -0.846 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.884 -8.466 -1.119 1.00 0.00 H new ATOM 239 N ASP A 19 -8.589 -10.752 -5.325 1.00 0.00 N ATOM 240 CA ASP A 19 -9.048 -11.961 -5.998 1.00 0.00 C ATOM 241 C ASP A 19 -8.103 -12.344 -7.133 1.00 0.00 C ATOM 242 O ASP A 19 -8.127 -13.475 -7.619 1.00 0.00 O ATOM 243 CB ASP A 19 -10.463 -11.760 -6.543 1.00 0.00 C ATOM 244 CG ASP A 19 -10.797 -12.731 -7.659 1.00 0.00 C ATOM 245 OD1 ASP A 19 -10.820 -13.951 -7.396 1.00 0.00 O ATOM 246 OD2 ASP A 19 -11.034 -12.270 -8.796 1.00 0.00 O ATOM 0 H ASP A 19 -8.825 -9.885 -5.808 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.058 -12.771 -5.269 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.182 -11.881 -5.733 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.566 -10.739 -6.911 1.00 0.00 H new ATOM 251 N CYS A 20 -7.272 -11.395 -7.549 1.00 0.00 N ATOM 252 CA CYS A 20 -6.319 -11.632 -8.628 1.00 0.00 C ATOM 253 C CYS A 20 -4.890 -11.386 -8.155 1.00 0.00 C ATOM 254 O CYS A 20 -4.660 -11.035 -6.997 1.00 0.00 O ATOM 255 CB CYS A 20 -6.635 -10.732 -9.823 1.00 0.00 C ATOM 256 SG CYS A 20 -8.068 -11.264 -10.789 1.00 0.00 S ATOM 0 H CYS A 20 -7.239 -10.454 -7.156 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.407 -12.674 -8.934 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.808 -9.717 -9.464 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.763 -10.694 -10.476 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.257 -10.439 -11.776 1.00 0.00 H new ATOM 262 N SER A 21 -3.933 -11.574 -9.057 1.00 0.00 N ATOM 263 CA SER A 21 -2.525 -11.378 -8.731 1.00 0.00 C ATOM 264 C SER A 21 -2.152 -9.901 -8.799 1.00 0.00 C ATOM 265 O SER A 21 -1.374 -9.407 -7.983 1.00 0.00 O ATOM 266 CB SER A 21 -1.641 -12.184 -9.685 1.00 0.00 C ATOM 267 OG SER A 21 -1.497 -13.521 -9.240 1.00 0.00 O ATOM 0 H SER A 21 -4.107 -11.862 -10.020 1.00 0.00 H new ATOM 0 HA SER A 21 -2.362 -11.729 -7.712 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.076 -12.175 -10.684 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.660 -11.715 -9.760 1.00 0.00 H new ATOM 0 HG SER A 21 -0.929 -14.015 -9.868 1.00 0.00 H new ATOM 273 N ASP A 22 -2.712 -9.201 -9.780 1.00 0.00 N ATOM 274 CA ASP A 22 -2.440 -7.779 -9.956 1.00 0.00 C ATOM 275 C ASP A 22 -2.471 -7.050 -8.616 1.00 0.00 C ATOM 276 O ASP A 22 -1.478 -6.453 -8.201 1.00 0.00 O ATOM 277 CB ASP A 22 -3.459 -7.158 -10.912 1.00 0.00 C ATOM 278 CG ASP A 22 -3.435 -5.642 -10.880 1.00 0.00 C ATOM 279 OD1 ASP A 22 -4.102 -5.056 -10.002 1.00 0.00 O ATOM 280 OD2 ASP A 22 -2.748 -5.042 -11.733 1.00 0.00 O ATOM 0 H ASP A 22 -3.357 -9.595 -10.465 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.442 -7.675 -10.383 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.256 -7.500 -11.927 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.458 -7.508 -10.651 1.00 0.00 H new ATOM 285 N GLU A 23 -3.619 -7.101 -7.947 1.00 0.00 N ATOM 286 CA GLU A 23 -3.779 -6.444 -6.655 1.00 0.00 C ATOM 287 C GLU A 23 -2.812 -7.022 -5.626 1.00 0.00 C ATOM 288 O GLU A 23 -2.225 -8.085 -5.837 1.00 0.00 O ATOM 289 CB GLU A 23 -5.218 -6.591 -6.158 1.00 0.00 C ATOM 290 CG GLU A 23 -6.172 -5.562 -6.741 1.00 0.00 C ATOM 291 CD GLU A 23 -7.601 -6.065 -6.812 1.00 0.00 C ATOM 292 OE1 GLU A 23 -7.812 -7.179 -7.336 1.00 0.00 O ATOM 293 OE2 GLU A 23 -8.507 -5.345 -6.344 1.00 0.00 O ATOM 0 H GLU A 23 -4.451 -7.590 -8.278 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.553 -5.386 -6.785 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.579 -7.589 -6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.228 -6.509 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.139 -4.657 -6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.837 -5.288 -7.741 1.00 0.00 H new ATOM 300 N LEU A 24 -2.650 -6.316 -4.513 1.00 0.00 N ATOM 301 CA LEU A 24 -1.754 -6.759 -3.450 1.00 0.00 C ATOM 302 C LEU A 24 -2.544 -7.265 -2.247 1.00 0.00 C ATOM 303 O LEU A 24 -3.587 -6.712 -1.900 1.00 0.00 O ATOM 304 CB LEU A 24 -0.832 -5.615 -3.024 1.00 0.00 C ATOM 305 CG LEU A 24 0.549 -6.022 -2.508 1.00 0.00 C ATOM 306 CD1 LEU A 24 1.551 -4.898 -2.721 1.00 0.00 C ATOM 307 CD2 LEU A 24 0.477 -6.404 -1.037 1.00 0.00 C ATOM 0 H LEU A 24 -3.127 -5.435 -4.323 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.150 -7.580 -3.836 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.697 -4.947 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.334 -5.041 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 24 0.885 -6.892 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.528 -5.206 -2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.624 -4.672 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.221 -4.009 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.468 -6.691 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.119 -5.553 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.209 -7.242 -0.912 1.00 0.00 H new ATOM 319 N ALA A 25 -2.038 -8.318 -1.614 1.00 0.00 N ATOM 320 CA ALA A 25 -2.693 -8.896 -0.447 1.00 0.00 C ATOM 321 C ALA A 25 -1.919 -8.583 0.829 1.00 0.00 C ATOM 322 O ALA A 25 -0.900 -9.210 1.118 1.00 0.00 O ATOM 323 CB ALA A 25 -2.846 -10.400 -0.619 1.00 0.00 C ATOM 0 H ALA A 25 -1.176 -8.788 -1.890 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.683 -8.449 -0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.337 -10.819 0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.449 -10.606 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.862 -10.855 -0.737 1.00 0.00 H new ATOM 329 N PHE A 26 -2.409 -7.609 1.588 1.00 0.00 N ATOM 330 CA PHE A 26 -1.762 -7.212 2.833 1.00 0.00 C ATOM 331 C PHE A 26 -2.774 -7.138 3.973 1.00 0.00 C ATOM 332 O PHE A 26 -3.963 -6.916 3.748 1.00 0.00 O ATOM 333 CB PHE A 26 -1.069 -5.858 2.663 1.00 0.00 C ATOM 334 CG PHE A 26 -2.002 -4.756 2.248 1.00 0.00 C ATOM 335 CD1 PHE A 26 -2.857 -4.170 3.168 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.023 -4.305 0.938 1.00 0.00 C ATOM 337 CE1 PHE A 26 -3.716 -3.156 2.790 1.00 0.00 C ATOM 338 CE2 PHE A 26 -2.879 -3.290 0.554 1.00 0.00 C ATOM 339 CZ PHE A 26 -3.728 -2.716 1.480 1.00 0.00 C ATOM 0 H PHE A 26 -3.252 -7.080 1.363 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.016 -7.966 3.082 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.590 -5.583 3.603 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.279 -5.954 1.919 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.852 -4.510 4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.363 -4.752 0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.377 -2.708 3.517 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.884 -2.946 -0.470 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.400 -1.925 1.181 1.00 0.00 H new ATOM 349 N SER A 27 -2.292 -7.328 5.197 1.00 0.00 N ATOM 350 CA SER A 27 -3.154 -7.288 6.373 1.00 0.00 C ATOM 351 C SER A 27 -2.827 -6.081 7.246 1.00 0.00 C ATOM 352 O SER A 27 -1.704 -5.577 7.231 1.00 0.00 O ATOM 353 CB SER A 27 -3.003 -8.576 7.186 1.00 0.00 C ATOM 354 OG SER A 27 -3.450 -9.700 6.447 1.00 0.00 O ATOM 0 H SER A 27 -1.309 -7.511 5.400 1.00 0.00 H new ATOM 0 HA SER A 27 -4.186 -7.200 6.034 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.959 -8.713 7.466 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.573 -8.495 8.111 1.00 0.00 H new ATOM 0 HG SER A 27 -3.342 -10.511 6.987 1.00 0.00 H new ATOM 360 N ARG A 28 -3.816 -5.623 8.006 1.00 0.00 N ATOM 361 CA ARG A 28 -3.635 -4.474 8.885 1.00 0.00 C ATOM 362 C ARG A 28 -2.301 -4.557 9.621 1.00 0.00 C ATOM 363 O ARG A 28 -1.822 -5.645 9.938 1.00 0.00 O ATOM 364 CB ARG A 28 -4.782 -4.391 9.894 1.00 0.00 C ATOM 365 CG ARG A 28 -4.538 -3.391 11.012 1.00 0.00 C ATOM 366 CD ARG A 28 -4.869 -1.973 10.574 1.00 0.00 C ATOM 367 NE ARG A 28 -5.271 -1.132 11.698 1.00 0.00 N ATOM 368 CZ ARG A 28 -4.422 -0.661 12.604 1.00 0.00 C ATOM 369 NH1 ARG A 28 -3.130 -0.946 12.518 1.00 0.00 N ATOM 370 NH2 ARG A 28 -4.864 0.098 13.599 1.00 0.00 N ATOM 0 H ARG A 28 -4.751 -6.030 8.031 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.635 -3.574 8.270 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.698 -4.120 9.369 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.944 -5.377 10.329 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.145 -3.656 11.878 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.495 -3.442 11.326 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.000 -1.533 10.085 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.671 -2.000 9.836 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.258 -0.893 11.792 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.786 -1.528 11.755 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.480 -0.583 13.215 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.857 0.320 13.669 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.211 0.459 14.294 1.00 0.00 H new ATOM 384 N GLY A 29 -1.705 -3.399 9.889 1.00 0.00 N ATOM 385 CA GLY A 29 -0.432 -3.364 10.585 1.00 0.00 C ATOM 386 C GLY A 29 0.702 -3.919 9.747 1.00 0.00 C ATOM 387 O GLY A 29 1.624 -4.543 10.273 1.00 0.00 O ATOM 0 H GLY A 29 -2.081 -2.485 9.637 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.203 -2.336 10.866 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.511 -3.937 11.509 1.00 0.00 H new ATOM 391 N ASP A 30 0.635 -3.693 8.440 1.00 0.00 N ATOM 392 CA ASP A 30 1.664 -4.176 7.526 1.00 0.00 C ATOM 393 C ASP A 30 2.255 -3.027 6.716 1.00 0.00 C ATOM 394 O ASP A 30 1.555 -2.382 5.934 1.00 0.00 O ATOM 395 CB ASP A 30 1.086 -5.235 6.586 1.00 0.00 C ATOM 396 CG ASP A 30 0.855 -6.562 7.281 1.00 0.00 C ATOM 397 OD1 ASP A 30 0.669 -6.560 8.516 1.00 0.00 O ATOM 398 OD2 ASP A 30 0.861 -7.603 6.591 1.00 0.00 O ATOM 0 H ASP A 30 -0.121 -3.178 7.989 1.00 0.00 H new ATOM 0 HA ASP A 30 2.460 -4.625 8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.143 -4.875 6.174 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.766 -5.381 5.747 1.00 0.00 H new ATOM 403 N ILE A 31 3.545 -2.775 6.909 1.00 0.00 N ATOM 404 CA ILE A 31 4.229 -1.703 6.196 1.00 0.00 C ATOM 405 C ILE A 31 4.505 -2.094 4.749 1.00 0.00 C ATOM 406 O ILE A 31 5.255 -3.033 4.480 1.00 0.00 O ATOM 407 CB ILE A 31 5.559 -1.332 6.878 1.00 0.00 C ATOM 408 CG1 ILE A 31 5.324 -0.994 8.352 1.00 0.00 C ATOM 409 CG2 ILE A 31 6.215 -0.163 6.159 1.00 0.00 C ATOM 410 CD1 ILE A 31 4.317 0.114 8.565 1.00 0.00 C ATOM 0 H ILE A 31 4.138 -3.298 7.553 1.00 0.00 H new ATOM 0 HA ILE A 31 3.566 -0.838 6.216 1.00 0.00 H new ATOM 0 HB ILE A 31 6.230 -2.189 6.823 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.982 -1.889 8.872 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.272 -0.704 8.806 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.154 0.087 6.653 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.412 -0.438 5.123 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.550 0.700 6.186 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.201 0.300 9.633 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.666 1.022 8.074 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.357 -0.181 8.142 1.00 0.00 H new ATOM 422 N LEU A 32 3.895 -1.367 3.819 1.00 0.00 N ATOM 423 CA LEU A 32 4.076 -1.637 2.396 1.00 0.00 C ATOM 424 C LEU A 32 5.079 -0.666 1.782 1.00 0.00 C ATOM 425 O LEU A 32 5.103 0.518 2.121 1.00 0.00 O ATOM 426 CB LEU A 32 2.737 -1.536 1.664 1.00 0.00 C ATOM 427 CG LEU A 32 1.819 -2.754 1.772 1.00 0.00 C ATOM 428 CD1 LEU A 32 2.583 -4.028 1.448 1.00 0.00 C ATOM 429 CD2 LEU A 32 1.205 -2.837 3.161 1.00 0.00 C ATOM 0 H LEU A 32 3.271 -0.587 4.024 1.00 0.00 H new ATOM 0 HA LEU A 32 4.466 -2.649 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.201 -0.667 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.936 -1.348 0.609 1.00 0.00 H new ATOM 0 HG LEU A 32 1.013 -2.643 1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.914 -4.884 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.974 -3.969 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.409 -4.145 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.555 -3.710 3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.997 -2.924 3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.622 -1.937 3.356 1.00 0.00 H new ATOM 441 N THR A 33 5.907 -1.174 0.874 1.00 0.00 N ATOM 442 CA THR A 33 6.912 -0.353 0.211 1.00 0.00 C ATOM 443 C THR A 33 6.391 0.189 -1.115 1.00 0.00 C ATOM 444 O THR A 33 6.417 -0.503 -2.133 1.00 0.00 O ATOM 445 CB THR A 33 8.206 -1.147 -0.046 1.00 0.00 C ATOM 446 OG1 THR A 33 8.758 -1.599 1.196 1.00 0.00 O ATOM 447 CG2 THR A 33 9.229 -0.293 -0.779 1.00 0.00 C ATOM 0 H THR A 33 5.901 -2.151 0.581 1.00 0.00 H new ATOM 0 HA THR A 33 7.132 0.479 0.880 1.00 0.00 H new ATOM 0 HB THR A 33 7.960 -2.007 -0.669 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.580 -2.105 1.024 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.134 -0.876 -0.949 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.817 0.026 -1.737 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.469 0.584 -0.177 1.00 0.00 H new ATOM 455 N ILE A 34 5.918 1.431 -1.096 1.00 0.00 N ATOM 456 CA ILE A 34 5.393 2.066 -2.299 1.00 0.00 C ATOM 457 C ILE A 34 6.469 2.184 -3.373 1.00 0.00 C ATOM 458 O ILE A 34 7.233 3.150 -3.400 1.00 0.00 O ATOM 459 CB ILE A 34 4.831 3.468 -1.995 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.816 3.398 -0.853 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.195 4.065 -3.242 1.00 0.00 C ATOM 462 CD1 ILE A 34 3.482 4.748 -0.257 1.00 0.00 C ATOM 0 H ILE A 34 5.888 2.017 -0.262 1.00 0.00 H new ATOM 0 HA ILE A 34 4.586 1.431 -2.665 1.00 0.00 H new ATOM 0 HB ILE A 34 5.653 4.114 -1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.900 2.935 -1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.208 2.751 -0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.802 5.055 -3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.944 4.146 -4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.382 3.422 -3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.757 4.621 0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.388 5.204 0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.060 5.392 -1.029 1.00 0.00 H new ATOM 474 N LEU A 35 6.522 1.196 -4.259 1.00 0.00 N ATOM 475 CA LEU A 35 7.504 1.188 -5.339 1.00 0.00 C ATOM 476 C LEU A 35 7.329 2.405 -6.242 1.00 0.00 C ATOM 477 O LEU A 35 8.298 3.089 -6.571 1.00 0.00 O ATOM 478 CB LEU A 35 7.376 -0.095 -6.162 1.00 0.00 C ATOM 479 CG LEU A 35 7.521 -1.406 -5.388 1.00 0.00 C ATOM 480 CD1 LEU A 35 6.860 -2.548 -6.145 1.00 0.00 C ATOM 481 CD2 LEU A 35 8.988 -1.713 -5.130 1.00 0.00 C ATOM 0 H LEU A 35 5.897 0.390 -4.251 1.00 0.00 H new ATOM 0 HA LEU A 35 8.498 1.229 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.403 -0.092 -6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.130 -0.075 -6.948 1.00 0.00 H new ATOM 0 HG LEU A 35 7.019 -1.296 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.973 -3.473 -5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.800 -2.331 -6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.333 -2.659 -7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.072 -2.649 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.513 -1.804 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.431 -0.907 -4.546 1.00 0.00 H new ATOM 493 N GLU A 36 6.087 2.670 -6.636 1.00 0.00 N ATOM 494 CA GLU A 36 5.787 3.805 -7.500 1.00 0.00 C ATOM 495 C GLU A 36 4.312 4.185 -7.405 1.00 0.00 C ATOM 496 O GLU A 36 3.434 3.326 -7.476 1.00 0.00 O ATOM 497 CB GLU A 36 6.149 3.481 -8.950 1.00 0.00 C ATOM 498 CG GLU A 36 5.251 2.432 -9.583 1.00 0.00 C ATOM 499 CD GLU A 36 5.857 1.819 -10.830 1.00 0.00 C ATOM 500 OE1 GLU A 36 7.080 1.563 -10.830 1.00 0.00 O ATOM 501 OE2 GLU A 36 5.111 1.597 -11.806 1.00 0.00 O ATOM 0 H GLU A 36 5.274 2.115 -6.371 1.00 0.00 H new ATOM 0 HA GLU A 36 6.386 4.652 -7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.098 4.395 -9.541 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.182 3.134 -8.989 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.051 1.645 -8.856 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.292 2.885 -9.835 1.00 0.00 H new ATOM 508 N GLN A 37 4.049 5.478 -7.245 1.00 0.00 N ATOM 509 CA GLN A 37 2.681 5.972 -7.139 1.00 0.00 C ATOM 510 C GLN A 37 2.082 6.215 -8.521 1.00 0.00 C ATOM 511 O GLN A 37 0.904 5.943 -8.755 1.00 0.00 O ATOM 512 CB GLN A 37 2.644 7.262 -6.320 1.00 0.00 C ATOM 513 CG GLN A 37 2.806 7.039 -4.825 1.00 0.00 C ATOM 514 CD GLN A 37 3.465 8.212 -4.127 1.00 0.00 C ATOM 515 OE1 GLN A 37 2.864 9.275 -3.973 1.00 0.00 O ATOM 516 NE2 GLN A 37 4.709 8.025 -3.701 1.00 0.00 N ATOM 0 H GLN A 37 4.765 6.202 -7.186 1.00 0.00 H new ATOM 0 HA GLN A 37 2.085 5.212 -6.633 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.435 7.926 -6.668 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.698 7.771 -6.502 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.827 6.860 -4.380 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.401 6.141 -4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.169 7.127 -3.850 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.204 8.779 -3.225 1.00 0.00 H new ATOM 525 N HIS A 38 2.900 6.730 -9.433 1.00 0.00 N ATOM 526 CA HIS A 38 2.451 7.010 -10.792 1.00 0.00 C ATOM 527 C HIS A 38 2.123 5.718 -11.533 1.00 0.00 C ATOM 528 O HIS A 38 3.008 5.064 -12.084 1.00 0.00 O ATOM 529 CB HIS A 38 3.522 7.791 -11.555 1.00 0.00 C ATOM 530 CG HIS A 38 3.414 7.659 -13.043 1.00 0.00 C ATOM 531 ND1 HIS A 38 2.455 8.310 -13.789 1.00 0.00 N ATOM 532 CD2 HIS A 38 4.153 6.945 -13.924 1.00 0.00 C ATOM 533 CE1 HIS A 38 2.608 8.002 -15.064 1.00 0.00 C ATOM 534 NE2 HIS A 38 3.632 7.175 -15.173 1.00 0.00 N ATOM 0 H HIS A 38 3.877 6.962 -9.256 1.00 0.00 H new ATOM 0 HA HIS A 38 1.545 7.614 -10.732 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.452 8.845 -11.286 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.506 7.446 -11.238 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.996 6.312 -13.688 1.00 0.00 H new ATOM 0 HE1 HIS A 38 1.999 8.365 -15.879 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.979 6.773 -16.044 1.00 0.00 H new ATOM 543 N VAL A 39 0.844 5.355 -11.541 1.00 0.00 N ATOM 544 CA VAL A 39 0.399 4.140 -12.215 1.00 0.00 C ATOM 545 C VAL A 39 -0.781 4.425 -13.138 1.00 0.00 C ATOM 546 O VAL A 39 -1.939 4.430 -12.722 1.00 0.00 O ATOM 547 CB VAL A 39 -0.007 3.054 -11.202 1.00 0.00 C ATOM 548 CG1 VAL A 39 -0.431 1.783 -11.923 1.00 0.00 C ATOM 549 CG2 VAL A 39 1.134 2.773 -10.236 1.00 0.00 C ATOM 0 H VAL A 39 0.098 5.884 -11.089 1.00 0.00 H new ATOM 0 HA VAL A 39 1.240 3.779 -12.806 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.858 3.418 -10.627 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.714 1.027 -11.191 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.281 1.998 -12.570 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.399 1.412 -12.525 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.829 2.003 -9.527 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.006 2.429 -10.793 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.386 3.685 -9.695 1.00 0.00 H new ATOM 559 N PRO A 40 -0.481 4.668 -14.423 1.00 0.00 N ATOM 560 CA PRO A 40 -1.503 4.958 -15.433 1.00 0.00 C ATOM 561 C PRO A 40 -2.356 3.737 -15.761 1.00 0.00 C ATOM 562 O PRO A 40 -3.254 3.803 -16.599 1.00 0.00 O ATOM 563 CB PRO A 40 -0.685 5.382 -16.655 1.00 0.00 C ATOM 564 CG PRO A 40 0.639 4.722 -16.472 1.00 0.00 C ATOM 565 CD PRO A 40 0.879 4.679 -14.988 1.00 0.00 C ATOM 0 HA PRO A 40 -2.209 5.715 -15.092 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.162 5.062 -17.581 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.583 6.466 -16.707 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.636 3.718 -16.896 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.426 5.280 -16.979 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.442 3.792 -14.697 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.449 5.544 -14.648 1.00 0.00 H new ATOM 573 N GLU A 41 -2.068 2.623 -15.095 1.00 0.00 N ATOM 574 CA GLU A 41 -2.809 1.387 -15.317 1.00 0.00 C ATOM 575 C GLU A 41 -3.707 1.069 -14.125 1.00 0.00 C ATOM 576 O GLU A 41 -4.167 -0.061 -13.964 1.00 0.00 O ATOM 577 CB GLU A 41 -1.845 0.226 -15.567 1.00 0.00 C ATOM 578 CG GLU A 41 -0.858 0.486 -16.693 1.00 0.00 C ATOM 579 CD GLU A 41 -0.367 -0.792 -17.345 1.00 0.00 C ATOM 580 OE1 GLU A 41 0.440 -1.507 -16.717 1.00 0.00 O ATOM 581 OE2 GLU A 41 -0.790 -1.075 -18.485 1.00 0.00 O ATOM 0 H GLU A 41 -1.327 2.551 -14.398 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.437 1.524 -16.197 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.292 0.020 -14.651 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.421 -0.670 -15.800 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.330 1.116 -17.447 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.005 1.041 -16.303 1.00 0.00 H new ATOM 588 N SER A 42 -3.951 2.075 -13.291 1.00 0.00 N ATOM 589 CA SER A 42 -4.790 1.903 -12.110 1.00 0.00 C ATOM 590 C SER A 42 -5.375 3.238 -11.660 1.00 0.00 C ATOM 591 O SER A 42 -4.792 4.295 -11.900 1.00 0.00 O ATOM 592 CB SER A 42 -3.983 1.276 -10.972 1.00 0.00 C ATOM 593 OG SER A 42 -3.065 2.208 -10.425 1.00 0.00 O ATOM 0 H SER A 42 -3.580 3.017 -13.411 1.00 0.00 H new ATOM 0 HA SER A 42 -5.612 1.237 -12.372 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.659 0.926 -10.192 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.444 0.404 -11.342 1.00 0.00 H new ATOM 0 HG SER A 42 -2.397 1.733 -9.888 1.00 0.00 H new ATOM 599 N GLU A 43 -6.531 3.180 -11.006 1.00 0.00 N ATOM 600 CA GLU A 43 -7.195 4.384 -10.522 1.00 0.00 C ATOM 601 C GLU A 43 -7.207 4.424 -8.997 1.00 0.00 C ATOM 602 O GLU A 43 -7.974 3.711 -8.352 1.00 0.00 O ATOM 603 CB GLU A 43 -8.628 4.452 -11.056 1.00 0.00 C ATOM 604 CG GLU A 43 -8.710 4.510 -12.572 1.00 0.00 C ATOM 605 CD GLU A 43 -8.316 5.866 -13.126 1.00 0.00 C ATOM 606 OE1 GLU A 43 -8.633 6.886 -12.480 1.00 0.00 O ATOM 607 OE2 GLU A 43 -7.690 5.905 -14.206 1.00 0.00 O ATOM 0 H GLU A 43 -7.026 2.313 -10.799 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.637 5.247 -10.886 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.180 3.581 -10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.121 5.331 -10.640 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.060 3.745 -12.997 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.727 4.275 -12.886 1.00 0.00 H new ATOM 614 N GLY A 44 -6.348 5.264 -8.426 1.00 0.00 N ATOM 615 CA GLY A 44 -6.275 5.382 -6.981 1.00 0.00 C ATOM 616 C GLY A 44 -5.649 4.164 -6.332 1.00 0.00 C ATOM 617 O GLY A 44 -6.087 3.725 -5.268 1.00 0.00 O ATOM 0 H GLY A 44 -5.702 5.864 -8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.695 6.267 -6.720 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.278 5.529 -6.580 1.00 0.00 H new ATOM 621 N TRP A 45 -4.623 3.615 -6.973 1.00 0.00 N ATOM 622 CA TRP A 45 -3.937 2.438 -6.451 1.00 0.00 C ATOM 623 C TRP A 45 -2.448 2.712 -6.269 1.00 0.00 C ATOM 624 O TRP A 45 -1.932 3.725 -6.742 1.00 0.00 O ATOM 625 CB TRP A 45 -4.138 1.247 -7.389 1.00 0.00 C ATOM 626 CG TRP A 45 -5.560 0.775 -7.453 1.00 0.00 C ATOM 627 CD1 TRP A 45 -6.572 1.322 -8.188 1.00 0.00 C ATOM 628 CD2 TRP A 45 -6.125 -0.338 -6.752 1.00 0.00 C ATOM 629 NE1 TRP A 45 -7.734 0.615 -7.986 1.00 0.00 N ATOM 630 CE2 TRP A 45 -7.485 -0.409 -7.111 1.00 0.00 C ATOM 631 CE3 TRP A 45 -5.614 -1.284 -5.859 1.00 0.00 C ATOM 632 CZ2 TRP A 45 -8.338 -1.386 -6.606 1.00 0.00 C ATOM 633 CZ3 TRP A 45 -6.462 -2.253 -5.358 1.00 0.00 C ATOM 634 CH2 TRP A 45 -7.811 -2.299 -5.733 1.00 0.00 C ATOM 0 H TRP A 45 -4.248 3.966 -7.854 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.365 2.201 -5.477 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.809 1.523 -8.391 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.504 0.424 -7.060 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.474 2.183 -8.833 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -8.635 0.820 -8.418 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.575 -1.258 -5.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -9.379 -1.422 -6.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -6.078 -2.988 -4.665 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -8.448 -3.070 -5.325 1.00 0.00 H new ATOM 645 N TRP A 46 -1.763 1.804 -5.583 1.00 0.00 N ATOM 646 CA TRP A 46 -0.333 1.949 -5.340 1.00 0.00 C ATOM 647 C TRP A 46 0.386 0.614 -5.507 1.00 0.00 C ATOM 648 O TRP A 46 -0.072 -0.415 -5.010 1.00 0.00 O ATOM 649 CB TRP A 46 -0.086 2.503 -3.936 1.00 0.00 C ATOM 650 CG TRP A 46 -0.270 3.987 -3.842 1.00 0.00 C ATOM 651 CD1 TRP A 46 -0.142 4.894 -4.855 1.00 0.00 C ATOM 652 CD2 TRP A 46 -0.612 4.736 -2.671 1.00 0.00 C ATOM 653 NE1 TRP A 46 -0.384 6.162 -4.384 1.00 0.00 N ATOM 654 CE2 TRP A 46 -0.675 6.092 -3.048 1.00 0.00 C ATOM 655 CE3 TRP A 46 -0.873 4.394 -1.342 1.00 0.00 C ATOM 656 CZ2 TRP A 46 -0.987 7.103 -2.142 1.00 0.00 C ATOM 657 CZ3 TRP A 46 -1.182 5.397 -0.444 1.00 0.00 C ATOM 658 CH2 TRP A 46 -1.238 6.738 -0.847 1.00 0.00 C ATOM 0 H TRP A 46 -2.175 0.960 -5.185 1.00 0.00 H new ATOM 0 HA TRP A 46 0.065 2.649 -6.074 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.764 2.015 -3.236 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.928 2.250 -3.626 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.112 4.650 -5.876 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -0.352 7.017 -4.940 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.834 3.363 -1.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -1.029 8.137 -2.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.384 5.143 0.586 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.484 7.499 -0.121 1.00 0.00 H new ATOM 669 N LYS A 47 1.514 0.638 -6.209 1.00 0.00 N ATOM 670 CA LYS A 47 2.297 -0.570 -6.440 1.00 0.00 C ATOM 671 C LYS A 47 3.326 -0.771 -5.333 1.00 0.00 C ATOM 672 O LYS A 47 4.390 -0.151 -5.341 1.00 0.00 O ATOM 673 CB LYS A 47 3.001 -0.494 -7.797 1.00 0.00 C ATOM 674 CG LYS A 47 3.505 -1.837 -8.296 1.00 0.00 C ATOM 675 CD LYS A 47 3.627 -1.858 -9.811 1.00 0.00 C ATOM 676 CE LYS A 47 4.854 -1.094 -10.282 1.00 0.00 C ATOM 677 NZ LYS A 47 6.116 -1.704 -9.778 1.00 0.00 N ATOM 0 H LYS A 47 1.906 1.481 -6.628 1.00 0.00 H new ATOM 0 HA LYS A 47 1.616 -1.421 -6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.312 -0.078 -8.532 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.842 0.196 -7.723 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.476 -2.052 -7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.824 -2.625 -7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.684 -2.890 -10.158 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.733 -1.421 -10.255 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.872 -1.072 -11.372 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.790 -0.060 -9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.908 -1.416 -10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.293 -1.382 -8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.029 -2.740 -9.789 1.00 0.00 H new ATOM 691 N CYS A 48 3.003 -1.642 -4.383 1.00 0.00 N ATOM 692 CA CYS A 48 3.901 -1.926 -3.268 1.00 0.00 C ATOM 693 C CYS A 48 4.400 -3.366 -3.325 1.00 0.00 C ATOM 694 O CYS A 48 3.864 -4.191 -4.067 1.00 0.00 O ATOM 695 CB CYS A 48 3.191 -1.671 -1.938 1.00 0.00 C ATOM 696 SG CYS A 48 2.604 0.026 -1.728 1.00 0.00 S ATOM 0 H CYS A 48 2.127 -2.164 -4.362 1.00 0.00 H new ATOM 0 HA CYS A 48 4.760 -1.260 -3.346 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.343 -2.350 -1.855 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.873 -1.912 -1.122 1.00 0.00 H new ATOM 0 HG CYS A 48 1.837 0.093 -0.681 1.00 0.00 H new ATOM 702 N LEU A 49 5.429 -3.661 -2.539 1.00 0.00 N ATOM 703 CA LEU A 49 6.002 -5.002 -2.500 1.00 0.00 C ATOM 704 C LEU A 49 5.913 -5.592 -1.096 1.00 0.00 C ATOM 705 O LEU A 49 6.333 -4.967 -0.121 1.00 0.00 O ATOM 706 CB LEU A 49 7.460 -4.968 -2.960 1.00 0.00 C ATOM 707 CG LEU A 49 8.167 -6.321 -3.051 1.00 0.00 C ATOM 708 CD1 LEU A 49 8.368 -6.913 -1.665 1.00 0.00 C ATOM 709 CD2 LEU A 49 7.376 -7.277 -3.932 1.00 0.00 C ATOM 0 H LEU A 49 5.884 -2.990 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 49 5.429 -5.635 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.500 -4.493 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.021 -4.333 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 49 9.147 -6.168 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.872 -7.875 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.976 -6.236 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.399 -7.052 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.893 -8.235 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.383 -7.425 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.285 -6.857 -4.934 1.00 0.00 H new ATOM 721 N LEU A 50 5.366 -6.798 -1.000 1.00 0.00 N ATOM 722 CA LEU A 50 5.224 -7.475 0.284 1.00 0.00 C ATOM 723 C LEU A 50 5.315 -8.988 0.116 1.00 0.00 C ATOM 724 O LEU A 50 4.665 -9.566 -0.756 1.00 0.00 O ATOM 725 CB LEU A 50 3.891 -7.101 0.935 1.00 0.00 C ATOM 726 CG LEU A 50 3.661 -7.637 2.349 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.296 -6.715 3.379 1.00 0.00 C ATOM 728 CD2 LEU A 50 2.173 -7.800 2.622 1.00 0.00 C ATOM 0 H LEU A 50 5.013 -7.328 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 50 6.040 -7.151 0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.816 -6.014 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.084 -7.460 0.296 1.00 0.00 H new ATOM 0 HG LEU A 50 4.134 -8.616 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.122 -7.112 4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.369 -6.649 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.853 -5.722 3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.028 -8.182 3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.677 -6.834 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.746 -8.501 1.904 1.00 0.00 H new ATOM 740 N HIS A 51 6.123 -9.625 0.958 1.00 0.00 N ATOM 741 CA HIS A 51 6.296 -11.072 0.904 1.00 0.00 C ATOM 742 C HIS A 51 6.353 -11.559 -0.541 1.00 0.00 C ATOM 743 O HIS A 51 5.850 -12.634 -0.864 1.00 0.00 O ATOM 744 CB HIS A 51 5.157 -11.771 1.646 1.00 0.00 C ATOM 745 CG HIS A 51 5.278 -11.697 3.137 1.00 0.00 C ATOM 746 ND1 HIS A 51 5.244 -12.810 3.951 1.00 0.00 N ATOM 747 CD2 HIS A 51 5.436 -10.635 3.960 1.00 0.00 C ATOM 748 CE1 HIS A 51 5.373 -12.435 5.211 1.00 0.00 C ATOM 749 NE2 HIS A 51 5.493 -11.120 5.244 1.00 0.00 N ATOM 0 H HIS A 51 6.668 -9.162 1.685 1.00 0.00 H new ATOM 0 HA HIS A 51 7.240 -11.319 1.389 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.210 -11.324 1.344 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.126 -12.818 1.344 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.505 -9.599 3.663 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.379 -13.092 6.068 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.609 -10.556 6.086 1.00 0.00 H new ATOM 758 N GLY A 52 6.969 -10.759 -1.406 1.00 0.00 N ATOM 759 CA GLY A 52 7.080 -11.126 -2.806 1.00 0.00 C ATOM 760 C GLY A 52 5.741 -11.107 -3.517 1.00 0.00 C ATOM 761 O GLY A 52 5.358 -12.086 -4.159 1.00 0.00 O ATOM 0 H GLY A 52 7.393 -9.864 -1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.763 -10.439 -3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.516 -12.122 -2.884 1.00 0.00 H new ATOM 765 N ARG A 53 5.028 -9.992 -3.403 1.00 0.00 N ATOM 766 CA ARG A 53 3.723 -9.851 -4.038 1.00 0.00 C ATOM 767 C ARG A 53 3.822 -9.002 -5.302 1.00 0.00 C ATOM 768 O ARG A 53 3.436 -9.438 -6.386 1.00 0.00 O ATOM 769 CB ARG A 53 2.724 -9.223 -3.065 1.00 0.00 C ATOM 770 CG ARG A 53 2.030 -10.234 -2.167 1.00 0.00 C ATOM 771 CD ARG A 53 0.736 -10.735 -2.789 1.00 0.00 C ATOM 772 NE ARG A 53 0.950 -11.915 -3.622 1.00 0.00 N ATOM 773 CZ ARG A 53 1.277 -11.858 -4.908 1.00 0.00 C ATOM 774 NH1 ARG A 53 1.427 -10.683 -5.506 1.00 0.00 N ATOM 775 NH2 ARG A 53 1.455 -12.976 -5.600 1.00 0.00 N ATOM 0 H ARG A 53 5.332 -9.173 -2.877 1.00 0.00 H new ATOM 0 HA ARG A 53 3.373 -10.845 -4.316 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.244 -8.495 -2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.971 -8.677 -3.633 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.697 -11.077 -1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.818 -9.778 -1.200 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.023 -10.973 -2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.292 -9.942 -3.391 1.00 0.00 H new ATOM 0 HE ARG A 53 0.842 -12.834 -3.193 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.291 -9.821 -4.978 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.678 -10.642 -6.494 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.341 -13.881 -5.144 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.706 -12.930 -6.588 1.00 0.00 H new ATOM 789 N GLN A 54 4.342 -7.788 -5.153 1.00 0.00 N ATOM 790 CA GLN A 54 4.491 -6.877 -6.282 1.00 0.00 C ATOM 791 C GLN A 54 3.140 -6.589 -6.930 1.00 0.00 C ATOM 792 O GLN A 54 2.985 -6.710 -8.145 1.00 0.00 O ATOM 793 CB GLN A 54 5.451 -7.466 -7.317 1.00 0.00 C ATOM 794 CG GLN A 54 6.905 -7.090 -7.081 1.00 0.00 C ATOM 795 CD GLN A 54 7.719 -7.079 -8.359 1.00 0.00 C ATOM 796 OE1 GLN A 54 7.908 -8.115 -8.998 1.00 0.00 O ATOM 797 NE2 GLN A 54 8.208 -5.905 -8.741 1.00 0.00 N ATOM 0 H GLN A 54 4.667 -7.413 -4.262 1.00 0.00 H new ATOM 0 HA GLN A 54 4.902 -5.939 -5.908 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.359 -8.552 -7.309 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.154 -7.128 -8.310 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.951 -6.105 -6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.349 -7.795 -6.378 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.027 -5.071 -8.182 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.764 -5.837 -9.593 1.00 0.00 H new ATOM 806 N GLY A 55 2.165 -6.207 -6.111 1.00 0.00 N ATOM 807 CA GLY A 55 0.841 -5.908 -6.623 1.00 0.00 C ATOM 808 C GLY A 55 0.395 -4.498 -6.290 1.00 0.00 C ATOM 809 O GLY A 55 1.136 -3.735 -5.669 1.00 0.00 O ATOM 0 H GLY A 55 2.269 -6.099 -5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.834 -6.042 -7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.126 -6.619 -6.210 1.00 0.00 H new ATOM 813 N LEU A 56 -0.818 -4.149 -6.704 1.00 0.00 N ATOM 814 CA LEU A 56 -1.361 -2.820 -6.448 1.00 0.00 C ATOM 815 C LEU A 56 -2.113 -2.785 -5.121 1.00 0.00 C ATOM 816 O LEU A 56 -2.441 -3.828 -4.555 1.00 0.00 O ATOM 817 CB LEU A 56 -2.292 -2.399 -7.586 1.00 0.00 C ATOM 818 CG LEU A 56 -1.759 -2.614 -9.003 1.00 0.00 C ATOM 819 CD1 LEU A 56 -2.835 -2.301 -10.031 1.00 0.00 C ATOM 820 CD2 LEU A 56 -0.524 -1.758 -9.244 1.00 0.00 C ATOM 0 H LEU A 56 -1.444 -4.768 -7.219 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.528 -2.120 -6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.228 -2.947 -7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.527 -1.342 -7.464 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.477 -3.662 -9.109 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.438 -2.460 -11.033 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.691 -2.956 -9.872 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.148 -1.262 -9.925 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.158 -1.924 -10.257 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.780 -0.706 -9.118 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.252 -2.030 -8.529 1.00 0.00 H new ATOM 832 N ALA A 57 -2.386 -1.580 -4.633 1.00 0.00 N ATOM 833 CA ALA A 57 -3.103 -1.410 -3.375 1.00 0.00 C ATOM 834 C ALA A 57 -3.888 -0.102 -3.363 1.00 0.00 C ATOM 835 O ALA A 57 -3.444 0.921 -3.886 1.00 0.00 O ATOM 836 CB ALA A 57 -2.134 -1.456 -2.204 1.00 0.00 C ATOM 0 H ALA A 57 -2.122 -0.707 -5.089 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.813 -2.231 -3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.684 -1.328 -1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.621 -2.418 -2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.401 -0.655 -2.306 1.00 0.00 H new ATOM 842 N PRO A 58 -5.083 -0.134 -2.755 1.00 0.00 N ATOM 843 CA PRO A 58 -5.955 1.041 -2.661 1.00 0.00 C ATOM 844 C PRO A 58 -5.395 2.105 -1.722 1.00 0.00 C ATOM 845 O PRO A 58 -5.536 2.007 -0.504 1.00 0.00 O ATOM 846 CB PRO A 58 -7.261 0.470 -2.104 1.00 0.00 C ATOM 847 CG PRO A 58 -6.853 -0.757 -1.364 1.00 0.00 C ATOM 848 CD PRO A 58 -5.675 -1.319 -2.111 1.00 0.00 C ATOM 0 HA PRO A 58 -6.069 1.542 -3.622 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.756 1.184 -1.445 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.963 0.235 -2.904 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.585 -0.521 -0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.670 -1.478 -1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.968 -1.806 -1.439 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.983 -2.064 -2.845 1.00 0.00 H new ATOM 856 N ALA A 59 -4.760 3.120 -2.298 1.00 0.00 N ATOM 857 CA ALA A 59 -4.181 4.203 -1.512 1.00 0.00 C ATOM 858 C ALA A 59 -5.168 4.710 -0.466 1.00 0.00 C ATOM 859 O ALA A 59 -4.777 5.342 0.514 1.00 0.00 O ATOM 860 CB ALA A 59 -3.744 5.341 -2.423 1.00 0.00 C ATOM 0 H ALA A 59 -4.633 3.215 -3.306 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.307 3.813 -0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.314 6.143 -1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.998 4.976 -3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.607 5.721 -2.970 1.00 0.00 H new ATOM 866 N ASN A 60 -6.448 4.429 -0.682 1.00 0.00 N ATOM 867 CA ASN A 60 -7.492 4.858 0.243 1.00 0.00 C ATOM 868 C ASN A 60 -7.342 4.162 1.593 1.00 0.00 C ATOM 869 O ASN A 60 -7.565 4.767 2.642 1.00 0.00 O ATOM 870 CB ASN A 60 -8.874 4.565 -0.343 1.00 0.00 C ATOM 871 CG ASN A 60 -9.996 5.104 0.523 1.00 0.00 C ATOM 872 OD1 ASN A 60 -10.209 4.637 1.642 1.00 0.00 O ATOM 873 ND2 ASN A 60 -10.719 6.092 0.008 1.00 0.00 N ATOM 0 H ASN A 60 -6.788 3.906 -1.489 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.389 5.933 0.394 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.944 5.004 -1.338 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.995 3.488 -0.460 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.487 6.495 0.545 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.506 6.448 -0.924 1.00 0.00 H new ATOM 880 N ARG A 61 -6.962 2.889 1.557 1.00 0.00 N ATOM 881 CA ARG A 61 -6.782 2.111 2.777 1.00 0.00 C ATOM 882 C ARG A 61 -5.330 2.158 3.243 1.00 0.00 C ATOM 883 O ARG A 61 -4.913 1.368 4.091 1.00 0.00 O ATOM 884 CB ARG A 61 -7.210 0.660 2.549 1.00 0.00 C ATOM 885 CG ARG A 61 -8.586 0.522 1.919 1.00 0.00 C ATOM 886 CD ARG A 61 -9.139 -0.884 2.090 1.00 0.00 C ATOM 887 NE ARG A 61 -10.598 -0.894 2.153 1.00 0.00 N ATOM 888 CZ ARG A 61 -11.296 -0.309 3.121 1.00 0.00 C ATOM 889 NH1 ARG A 61 -10.671 0.330 4.100 1.00 0.00 N ATOM 890 NH2 ARG A 61 -12.622 -0.362 3.109 1.00 0.00 N ATOM 0 H ARG A 61 -6.773 2.375 0.697 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.408 2.550 3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.476 0.170 1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.202 0.134 3.504 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.269 1.240 2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.527 0.764 0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.808 -1.507 1.259 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.734 -1.325 3.001 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.109 -1.376 1.414 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.652 0.374 4.112 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.209 0.778 4.842 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.106 -0.852 2.357 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.157 0.087 3.852 1.00 0.00 H new ATOM 904 N LEU A 62 -4.564 3.088 2.684 1.00 0.00 N ATOM 905 CA LEU A 62 -3.158 3.238 3.041 1.00 0.00 C ATOM 906 C LEU A 62 -2.925 4.539 3.803 1.00 0.00 C ATOM 907 O LEU A 62 -3.655 5.514 3.622 1.00 0.00 O ATOM 908 CB LEU A 62 -2.286 3.206 1.785 1.00 0.00 C ATOM 909 CG LEU A 62 -1.908 1.819 1.265 1.00 0.00 C ATOM 910 CD1 LEU A 62 -1.044 1.086 2.281 1.00 0.00 C ATOM 911 CD2 LEU A 62 -3.156 1.012 0.943 1.00 0.00 C ATOM 0 H LEU A 62 -4.893 3.750 1.981 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.882 2.405 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.808 3.740 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.368 3.758 1.990 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.332 1.940 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.784 0.101 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.133 1.656 2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.595 0.976 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.868 0.028 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.759 0.900 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.737 1.530 0.180 1.00 0.00 H new ATOM 923 N GLN A 63 -1.903 4.547 4.652 1.00 0.00 N ATOM 924 CA GLN A 63 -1.574 5.729 5.440 1.00 0.00 C ATOM 925 C GLN A 63 -0.122 6.143 5.220 1.00 0.00 C ATOM 926 O GLN A 63 0.799 5.499 5.724 1.00 0.00 O ATOM 927 CB GLN A 63 -1.822 5.464 6.926 1.00 0.00 C ATOM 928 CG GLN A 63 -1.259 6.541 7.838 1.00 0.00 C ATOM 929 CD GLN A 63 -1.892 6.528 9.216 1.00 0.00 C ATOM 930 OE1 GLN A 63 -1.209 6.352 10.225 1.00 0.00 O ATOM 931 NE2 GLN A 63 -3.206 6.717 9.265 1.00 0.00 N ATOM 0 H GLN A 63 -1.289 3.749 4.812 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.219 6.544 5.112 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.895 5.379 7.097 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.380 4.505 7.194 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.182 6.403 7.936 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.415 7.518 7.380 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.733 6.859 8.403 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.688 6.720 10.164 1.00 0.00 H new ATOM 940 N ILE A 64 0.073 7.219 4.466 1.00 0.00 N ATOM 941 CA ILE A 64 1.413 7.718 4.181 1.00 0.00 C ATOM 942 C ILE A 64 2.048 8.330 5.425 1.00 0.00 C ATOM 943 O ILE A 64 1.565 9.332 5.953 1.00 0.00 O ATOM 944 CB ILE A 64 1.394 8.770 3.057 1.00 0.00 C ATOM 945 CG1 ILE A 64 0.781 8.180 1.785 1.00 0.00 C ATOM 946 CG2 ILE A 64 2.802 9.280 2.785 1.00 0.00 C ATOM 947 CD1 ILE A 64 1.640 7.117 1.138 1.00 0.00 C ATOM 0 H ILE A 64 -0.679 7.762 4.042 1.00 0.00 H new ATOM 0 HA ILE A 64 2.006 6.863 3.857 1.00 0.00 H new ATOM 0 HB ILE A 64 0.779 9.611 3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.193 7.753 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.609 8.983 1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.772 10.023 1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.205 9.734 3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.438 8.448 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.144 6.744 0.242 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.605 7.545 0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.791 6.295 1.838 1.00 0.00 H new ATOM 959 N LEU A 65 3.134 7.721 5.888 1.00 0.00 N ATOM 960 CA LEU A 65 3.838 8.207 7.070 1.00 0.00 C ATOM 961 C LEU A 65 4.974 9.147 6.679 1.00 0.00 C ATOM 962 O LEU A 65 6.024 8.707 6.211 1.00 0.00 O ATOM 963 CB LEU A 65 4.389 7.031 7.879 1.00 0.00 C ATOM 964 CG LEU A 65 3.366 5.984 8.322 1.00 0.00 C ATOM 965 CD1 LEU A 65 4.057 4.668 8.645 1.00 0.00 C ATOM 966 CD2 LEU A 65 2.578 6.484 9.523 1.00 0.00 C ATOM 0 H LEU A 65 3.546 6.890 5.463 1.00 0.00 H new ATOM 0 HA LEU A 65 3.128 8.761 7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.154 6.533 7.284 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.883 7.426 8.767 1.00 0.00 H new ATOM 0 HG LEU A 65 2.669 5.813 7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.314 3.934 8.958 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.576 4.303 7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.776 4.823 9.449 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.855 5.726 9.825 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.261 6.683 10.349 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.053 7.401 9.257 1.00 0.00 H new