USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 481 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 5 GLN : amide:sc= -2.1 K(o=-2.1,f=-0.69) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -12:sc= 0.854 USER MOD Single : A 26 ASN : amide:sc= -3.17! C(o=-3.2!,f=-5.5!) USER MOD Single : A 29 HIS : no HD1:sc= -4.81! C(o=-4.8!,f=-4!) USER MOD Single : A 32 SER OG : rot -170:sc=-0.000337 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -3.17! K(o=-3.2!,f=-0.35) USER MOD Single : A 38 GLN : amide:sc= -7.29! C(o=-7.3!,f=-3!) USER MOD Single : A 50 GLN : amide:sc= -2.8 K(o=-2.8,f=-0.23) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N ALA A 3 10.871 5.107 -3.670 1.00 0.00 N ATOM 30 CA ALA A 3 10.842 3.814 -3.023 1.00 0.00 C ATOM 31 C ALA A 3 11.197 3.929 -1.555 1.00 0.00 C ATOM 32 O ALA A 3 12.359 3.898 -1.172 1.00 0.00 O ATOM 33 CB ALA A 3 11.776 2.857 -3.726 1.00 0.00 C ATOM 0 HA ALA A 3 9.827 3.422 -3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.745 1.887 -3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.466 2.743 -4.765 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.792 3.250 -3.692 1.00 0.00 H new ATOM 39 N VAL A 4 10.185 4.076 -0.745 1.00 0.00 N ATOM 40 CA VAL A 4 10.361 4.134 0.694 1.00 0.00 C ATOM 41 C VAL A 4 9.540 3.038 1.347 1.00 0.00 C ATOM 42 O VAL A 4 8.324 2.973 1.164 1.00 0.00 O ATOM 43 CB VAL A 4 9.944 5.498 1.280 1.00 0.00 C ATOM 44 CG1 VAL A 4 10.361 5.615 2.739 1.00 0.00 C ATOM 45 CG2 VAL A 4 10.521 6.633 0.453 1.00 0.00 C ATOM 0 H VAL A 4 9.217 4.159 -1.054 1.00 0.00 H new ATOM 0 HA VAL A 4 11.422 3.995 0.900 1.00 0.00 H new ATOM 0 HB VAL A 4 8.857 5.569 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.055 6.586 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.883 4.825 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.444 5.518 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.216 7.587 0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.609 6.566 0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.153 6.561 -0.570 1.00 0.00 H new ATOM 55 N GLN A 5 10.211 2.159 2.070 1.00 0.00 N ATOM 56 CA GLN A 5 9.550 1.068 2.754 1.00 0.00 C ATOM 57 C GLN A 5 8.575 1.630 3.779 1.00 0.00 C ATOM 58 O GLN A 5 8.973 2.203 4.795 1.00 0.00 O ATOM 59 CB GLN A 5 10.610 0.179 3.421 1.00 0.00 C ATOM 60 CG GLN A 5 10.136 -1.220 3.780 1.00 0.00 C ATOM 61 CD GLN A 5 9.163 -1.243 4.937 1.00 0.00 C ATOM 62 OE1 GLN A 5 9.559 -1.317 6.097 1.00 0.00 O ATOM 63 NE2 GLN A 5 7.880 -1.203 4.623 1.00 0.00 N ATOM 0 H GLN A 5 11.223 2.183 2.198 1.00 0.00 H new ATOM 0 HA GLN A 5 8.985 0.461 2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.467 0.096 2.753 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.959 0.673 4.328 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.663 -1.671 2.908 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.000 -1.836 4.029 1.00 0.00 H new ATOM 0 HE21 GLN A 5 7.596 -1.141 3.645 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.174 -1.234 5.358 1.00 0.00 H new ATOM 72 N VAL A 6 7.297 1.458 3.490 1.00 0.00 N ATOM 73 CA VAL A 6 6.240 1.968 4.343 1.00 0.00 C ATOM 74 C VAL A 6 5.048 1.041 4.317 1.00 0.00 C ATOM 75 O VAL A 6 4.321 0.899 5.296 1.00 0.00 O ATOM 76 CB VAL A 6 5.789 3.373 3.885 1.00 0.00 C ATOM 77 CG1 VAL A 6 5.070 3.281 2.550 1.00 0.00 C ATOM 78 CG2 VAL A 6 4.906 4.027 4.940 1.00 0.00 C ATOM 0 H VAL A 6 6.965 0.964 2.662 1.00 0.00 H new ATOM 0 HA VAL A 6 6.636 2.031 5.356 1.00 0.00 H new ATOM 0 HB VAL A 6 6.672 4.000 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.756 4.277 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.743 2.860 1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.194 2.640 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.600 5.015 4.597 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.022 3.411 5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.463 4.123 5.872 1.00 0.00 H new ATOM 88 N LEU A 7 4.870 0.388 3.200 1.00 0.00 N ATOM 89 CA LEU A 7 3.720 -0.430 2.990 1.00 0.00 C ATOM 90 C LEU A 7 4.200 -1.855 2.848 1.00 0.00 C ATOM 91 O LEU A 7 5.338 -2.074 2.473 1.00 0.00 O ATOM 92 CB LEU A 7 3.002 0.067 1.728 1.00 0.00 C ATOM 93 CG LEU A 7 1.475 -0.125 1.713 1.00 0.00 C ATOM 94 CD1 LEU A 7 0.846 0.521 0.494 1.00 0.00 C ATOM 95 CD2 LEU A 7 1.083 -1.587 1.771 1.00 0.00 C ATOM 0 H LEU A 7 5.521 0.412 2.415 1.00 0.00 H new ATOM 0 HA LEU A 7 3.013 -0.380 3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.218 1.128 1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.424 -0.448 0.865 1.00 0.00 H new ATOM 0 HG LEU A 7 1.097 0.366 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.233 0.366 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.059 1.590 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.259 0.072 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.004 -1.673 1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.499 -2.110 0.909 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.471 -2.032 2.687 1.00 0.00 H new ATOM 107 N LYS A 8 3.382 -2.808 3.221 1.00 0.00 N ATOM 108 CA LYS A 8 3.723 -4.186 3.034 1.00 0.00 C ATOM 109 C LYS A 8 2.460 -5.002 2.861 1.00 0.00 C ATOM 110 O LYS A 8 1.414 -4.663 3.414 1.00 0.00 O ATOM 111 CB LYS A 8 4.548 -4.690 4.220 1.00 0.00 C ATOM 112 CG LYS A 8 3.805 -4.695 5.545 1.00 0.00 C ATOM 113 CD LYS A 8 4.534 -3.892 6.614 1.00 0.00 C ATOM 114 CE LYS A 8 4.158 -2.420 6.580 1.00 0.00 C ATOM 115 NZ LYS A 8 4.659 -1.702 7.778 1.00 0.00 N ATOM 0 H LYS A 8 2.474 -2.648 3.657 1.00 0.00 H new ATOM 0 HA LYS A 8 4.329 -4.293 2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.889 -5.703 4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.438 -4.068 4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.806 -4.283 5.401 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.680 -5.723 5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.301 -4.302 7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.610 -3.994 6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.568 -1.960 5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.074 -2.322 6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.385 -0.700 7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.248 -2.126 8.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.696 -1.775 7.818 1.00 0.00 H new ATOM 129 N PHE A 9 2.557 -6.056 2.083 1.00 0.00 N ATOM 130 CA PHE A 9 1.449 -6.964 1.884 1.00 0.00 C ATOM 131 C PHE A 9 1.841 -8.305 2.455 1.00 0.00 C ATOM 132 O PHE A 9 2.485 -9.109 1.781 1.00 0.00 O ATOM 133 CB PHE A 9 1.061 -7.088 0.400 1.00 0.00 C ATOM 134 CG PHE A 9 1.998 -6.407 -0.542 1.00 0.00 C ATOM 135 CD1 PHE A 9 3.311 -6.775 -0.572 1.00 0.00 C ATOM 136 CD2 PHE A 9 1.559 -5.422 -1.408 1.00 0.00 C ATOM 137 CE1 PHE A 9 4.197 -6.179 -1.429 1.00 0.00 C ATOM 138 CE2 PHE A 9 2.437 -4.815 -2.278 1.00 0.00 C ATOM 139 CZ PHE A 9 3.760 -5.197 -2.290 1.00 0.00 C ATOM 0 H PHE A 9 3.403 -6.308 1.572 1.00 0.00 H new ATOM 0 HA PHE A 9 0.568 -6.575 2.395 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.007 -8.145 0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.062 -6.674 0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.659 -7.552 0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.520 -5.127 -1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 9 5.235 -6.478 -1.430 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.089 -4.043 -2.948 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.453 -4.728 -2.973 1.00 0.00 H new ATOM 149 N PRO A 10 1.512 -8.495 3.739 1.00 0.00 N ATOM 150 CA PRO A 10 1.777 -9.699 4.513 1.00 0.00 C ATOM 151 C PRO A 10 1.846 -10.974 3.691 1.00 0.00 C ATOM 152 O PRO A 10 0.825 -11.619 3.469 1.00 0.00 O ATOM 153 CB PRO A 10 0.531 -9.761 5.382 1.00 0.00 C ATOM 154 CG PRO A 10 0.052 -8.350 5.536 1.00 0.00 C ATOM 155 CD PRO A 10 0.829 -7.505 4.574 1.00 0.00 C ATOM 0 HA PRO A 10 2.741 -9.645 5.019 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.235 -10.383 4.919 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.756 -10.203 6.353 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.016 -8.283 5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.202 -8.003 6.559 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.176 -6.862 3.984 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.536 -6.855 5.089 1.00 0.00 H new ATOM 163 N LEU A 11 3.057 -11.386 3.331 1.00 0.00 N ATOM 164 CA LEU A 11 3.246 -12.553 2.472 1.00 0.00 C ATOM 165 C LEU A 11 2.876 -13.822 3.222 1.00 0.00 C ATOM 166 O LEU A 11 2.762 -14.908 2.653 1.00 0.00 O ATOM 167 CB LEU A 11 4.690 -12.598 1.944 1.00 0.00 C ATOM 168 CG LEU A 11 5.818 -12.493 2.981 1.00 0.00 C ATOM 169 CD1 LEU A 11 5.853 -13.726 3.835 1.00 0.00 C ATOM 170 CD2 LEU A 11 7.156 -12.315 2.298 1.00 0.00 C ATOM 0 H LEU A 11 3.923 -10.931 3.620 1.00 0.00 H new ATOM 0 HA LEU A 11 2.584 -12.476 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.821 -13.531 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.813 -11.787 1.227 1.00 0.00 H new ATOM 0 HG LEU A 11 5.623 -11.623 3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.657 -13.640 4.566 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.901 -13.836 4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.027 -14.599 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.942 -12.243 3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.351 -13.170 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.141 -11.404 1.700 1.00 0.00 H new ATOM 182 N SER A 12 2.682 -13.638 4.509 1.00 0.00 N ATOM 183 CA SER A 12 2.374 -14.711 5.427 1.00 0.00 C ATOM 184 C SER A 12 0.870 -14.811 5.708 1.00 0.00 C ATOM 185 O SER A 12 0.438 -15.645 6.510 1.00 0.00 O ATOM 186 CB SER A 12 3.140 -14.450 6.728 1.00 0.00 C ATOM 187 OG SER A 12 2.787 -15.369 7.750 1.00 0.00 O ATOM 0 H SER A 12 2.735 -12.722 4.955 1.00 0.00 H new ATOM 0 HA SER A 12 2.674 -15.660 4.982 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.211 -14.515 6.537 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.939 -13.435 7.069 1.00 0.00 H new ATOM 0 HG SER A 12 1.989 -15.869 7.479 1.00 0.00 H new ATOM 193 N VAL A 13 0.061 -13.982 5.055 1.00 0.00 N ATOM 194 CA VAL A 13 -1.373 -13.997 5.308 1.00 0.00 C ATOM 195 C VAL A 13 -2.126 -13.935 4.000 1.00 0.00 C ATOM 196 O VAL A 13 -1.535 -13.950 2.920 1.00 0.00 O ATOM 197 CB VAL A 13 -1.840 -12.826 6.226 1.00 0.00 C ATOM 198 CG1 VAL A 13 -0.831 -12.540 7.316 1.00 0.00 C ATOM 199 CG2 VAL A 13 -2.140 -11.559 5.434 1.00 0.00 C ATOM 0 H VAL A 13 0.368 -13.303 4.359 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.590 -14.928 5.831 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.769 -13.151 6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.189 -11.719 7.937 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.699 -13.429 7.932 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.123 -12.266 6.866 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.461 -10.771 6.116 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.242 -11.238 4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.932 -11.760 4.712 1.00 0.00 H new ATOM 209 N ASP A 14 -3.428 -13.856 4.116 1.00 0.00 N ATOM 210 CA ASP A 14 -4.295 -13.705 2.967 1.00 0.00 C ATOM 211 C ASP A 14 -4.257 -12.255 2.496 1.00 0.00 C ATOM 212 O ASP A 14 -5.263 -11.543 2.476 1.00 0.00 O ATOM 213 CB ASP A 14 -5.711 -14.131 3.319 1.00 0.00 C ATOM 214 CG ASP A 14 -6.537 -14.412 2.083 1.00 0.00 C ATOM 215 OD1 ASP A 14 -6.301 -15.452 1.437 1.00 0.00 O ATOM 216 OD2 ASP A 14 -7.428 -13.605 1.753 1.00 0.00 O ATOM 0 H ASP A 14 -3.920 -13.894 5.009 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.947 -14.345 2.156 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.677 -15.023 3.944 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.191 -13.348 3.906 1.00 0.00 H new ATOM 221 N LEU A 15 -3.056 -11.838 2.130 1.00 0.00 N ATOM 222 CA LEU A 15 -2.768 -10.483 1.701 1.00 0.00 C ATOM 223 C LEU A 15 -3.586 -10.060 0.500 1.00 0.00 C ATOM 224 O LEU A 15 -3.610 -8.892 0.190 1.00 0.00 O ATOM 225 CB LEU A 15 -1.285 -10.379 1.382 1.00 0.00 C ATOM 226 CG LEU A 15 -0.684 -11.640 0.752 1.00 0.00 C ATOM 227 CD1 LEU A 15 -1.292 -11.954 -0.604 1.00 0.00 C ATOM 228 CD2 LEU A 15 0.791 -11.488 0.613 1.00 0.00 C ATOM 0 H LEU A 15 -2.238 -12.447 2.123 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.039 -9.809 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.129 -9.539 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.743 -10.152 2.300 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.913 -12.472 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.833 -12.856 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.365 -12.111 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.115 -11.121 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.209 -12.389 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.010 -10.631 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.235 -11.333 1.596 1.00 0.00 H new ATOM 240 N ALA A 16 -4.255 -10.997 -0.165 1.00 0.00 N ATOM 241 CA ALA A 16 -5.061 -10.679 -1.346 1.00 0.00 C ATOM 242 C ALA A 16 -6.019 -9.534 -1.060 1.00 0.00 C ATOM 243 O ALA A 16 -6.428 -8.807 -1.964 1.00 0.00 O ATOM 244 CB ALA A 16 -5.822 -11.909 -1.812 1.00 0.00 C ATOM 0 H ALA A 16 -4.257 -11.984 0.092 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.388 -10.362 -2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.417 -11.658 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.116 -12.699 -2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.480 -12.253 -1.014 1.00 0.00 H new ATOM 250 N GLY A 17 -6.341 -9.363 0.211 1.00 0.00 N ATOM 251 CA GLY A 17 -7.166 -8.260 0.616 1.00 0.00 C ATOM 252 C GLY A 17 -6.429 -6.935 0.537 1.00 0.00 C ATOM 253 O GLY A 17 -6.982 -5.946 0.071 1.00 0.00 O ATOM 0 H GLY A 17 -6.041 -9.975 0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.052 -8.219 -0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.511 -8.422 1.637 1.00 0.00 H new ATOM 257 N PHE A 18 -5.171 -6.910 0.971 1.00 0.00 N ATOM 258 CA PHE A 18 -4.418 -5.663 0.982 1.00 0.00 C ATOM 259 C PHE A 18 -3.566 -5.499 -0.265 1.00 0.00 C ATOM 260 O PHE A 18 -3.575 -4.443 -0.890 1.00 0.00 O ATOM 261 CB PHE A 18 -3.520 -5.542 2.200 1.00 0.00 C ATOM 262 CG PHE A 18 -3.205 -4.104 2.519 1.00 0.00 C ATOM 263 CD1 PHE A 18 -3.723 -3.081 1.730 1.00 0.00 C ATOM 264 CD2 PHE A 18 -2.421 -3.769 3.610 1.00 0.00 C ATOM 265 CE1 PHE A 18 -3.461 -1.763 2.025 1.00 0.00 C ATOM 266 CE2 PHE A 18 -2.152 -2.445 3.903 1.00 0.00 C ATOM 267 CZ PHE A 18 -2.673 -1.443 3.106 1.00 0.00 C ATOM 0 H PHE A 18 -4.661 -7.724 1.313 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.169 -4.873 1.013 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.006 -6.007 3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.593 -6.087 2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.338 -3.325 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.016 -4.549 4.238 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.874 -0.979 1.407 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.536 -2.194 4.754 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.461 -0.408 3.332 1.00 0.00 H new ATOM 277 N VAL A 19 -2.819 -6.532 -0.628 1.00 0.00 N ATOM 278 CA VAL A 19 -1.977 -6.456 -1.796 1.00 0.00 C ATOM 279 C VAL A 19 -2.872 -6.232 -2.975 1.00 0.00 C ATOM 280 O VAL A 19 -2.551 -5.496 -3.884 1.00 0.00 O ATOM 281 CB VAL A 19 -1.153 -7.751 -2.022 1.00 0.00 C ATOM 282 CG1 VAL A 19 -2.041 -8.941 -2.342 1.00 0.00 C ATOM 283 CG2 VAL A 19 -0.113 -7.562 -3.120 1.00 0.00 C ATOM 0 H VAL A 19 -2.784 -7.422 -0.131 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.262 -5.645 -1.661 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.636 -7.960 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.423 -9.826 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.728 -9.115 -1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.610 -8.737 -3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.447 -8.487 -3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.612 -7.302 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.571 -6.761 -2.839 1.00 0.00 H new ATOM 293 N GLY A 20 -4.028 -6.851 -2.888 1.00 0.00 N ATOM 294 CA GLY A 20 -5.056 -6.658 -3.871 1.00 0.00 C ATOM 295 C GLY A 20 -5.586 -5.253 -3.804 1.00 0.00 C ATOM 296 O GLY A 20 -5.771 -4.619 -4.820 1.00 0.00 O ATOM 0 H GLY A 20 -4.275 -7.496 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.659 -6.857 -4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.866 -7.368 -3.704 1.00 0.00 H new ATOM 300 N LEU A 21 -5.735 -4.745 -2.589 1.00 0.00 N ATOM 301 CA LEU A 21 -6.337 -3.439 -2.357 1.00 0.00 C ATOM 302 C LEU A 21 -5.639 -2.345 -3.154 1.00 0.00 C ATOM 303 O LEU A 21 -6.291 -1.579 -3.853 1.00 0.00 O ATOM 304 CB LEU A 21 -6.306 -3.103 -0.863 1.00 0.00 C ATOM 305 CG LEU A 21 -7.081 -1.845 -0.458 1.00 0.00 C ATOM 306 CD1 LEU A 21 -7.623 -1.982 0.954 1.00 0.00 C ATOM 307 CD2 LEU A 21 -6.194 -0.619 -0.545 1.00 0.00 C ATOM 0 H LEU A 21 -5.443 -5.225 -1.738 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.372 -3.487 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.707 -3.951 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.267 -2.984 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.916 -1.728 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.170 -1.078 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.293 -2.840 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.796 -2.126 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.763 0.263 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.342 -0.738 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.838 -0.499 -1.568 1.00 0.00 H new ATOM 319 N LEU A 22 -4.317 -2.266 -3.081 1.00 0.00 N ATOM 320 CA LEU A 22 -3.635 -1.185 -3.764 1.00 0.00 C ATOM 321 C LEU A 22 -3.254 -1.583 -5.177 1.00 0.00 C ATOM 322 O LEU A 22 -3.074 -0.742 -6.065 1.00 0.00 O ATOM 323 CB LEU A 22 -2.428 -0.650 -3.003 1.00 0.00 C ATOM 324 CG LEU A 22 -1.426 -1.618 -2.340 1.00 0.00 C ATOM 325 CD1 LEU A 22 -1.811 -1.913 -0.901 1.00 0.00 C ATOM 326 CD2 LEU A 22 -1.261 -2.912 -3.105 1.00 0.00 C ATOM 0 H LEU A 22 -3.716 -2.915 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.350 -0.364 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.862 -0.026 -3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.807 0.006 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.464 -1.106 -2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.085 -2.598 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.824 -0.984 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.801 -2.369 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.544 -3.551 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.222 -3.422 -3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.898 -2.697 -4.110 1.00 0.00 H new ATOM 338 N ARG A 23 -3.118 -2.873 -5.362 1.00 0.00 N ATOM 339 CA ARG A 23 -2.915 -3.448 -6.687 1.00 0.00 C ATOM 340 C ARG A 23 -4.140 -3.144 -7.536 1.00 0.00 C ATOM 341 O ARG A 23 -4.086 -3.088 -8.761 1.00 0.00 O ATOM 342 CB ARG A 23 -2.716 -4.943 -6.524 1.00 0.00 C ATOM 343 CG ARG A 23 -2.067 -5.664 -7.695 1.00 0.00 C ATOM 344 CD ARG A 23 -3.094 -6.108 -8.713 1.00 0.00 C ATOM 345 NE ARG A 23 -2.629 -7.251 -9.497 1.00 0.00 N ATOM 346 CZ ARG A 23 -3.349 -7.836 -10.453 1.00 0.00 C ATOM 347 NH1 ARG A 23 -4.523 -7.323 -10.804 1.00 0.00 N ATOM 348 NH2 ARG A 23 -2.891 -8.919 -11.071 1.00 0.00 N ATOM 0 H ARG A 23 -3.143 -3.559 -4.608 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.039 -3.026 -7.180 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.107 -5.113 -5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.688 -5.400 -6.336 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.342 -5.005 -8.172 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.517 -6.531 -7.330 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.020 -6.371 -8.202 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.323 -5.279 -9.382 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.699 -7.622 -9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.871 -6.483 -10.342 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.076 -7.769 -11.536 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.983 -9.307 -10.814 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.447 -9.362 -11.802 1.00 0.00 H new ATOM 362 N ARG A 24 -5.237 -2.931 -6.833 1.00 0.00 N ATOM 363 CA ARG A 24 -6.503 -2.561 -7.422 1.00 0.00 C ATOM 364 C ARG A 24 -6.535 -1.082 -7.738 1.00 0.00 C ATOM 365 O ARG A 24 -7.247 -0.641 -8.641 1.00 0.00 O ATOM 366 CB ARG A 24 -7.616 -2.884 -6.442 1.00 0.00 C ATOM 367 CG ARG A 24 -8.021 -4.347 -6.451 1.00 0.00 C ATOM 368 CD ARG A 24 -8.307 -4.808 -7.863 1.00 0.00 C ATOM 369 NE ARG A 24 -8.725 -6.201 -7.925 1.00 0.00 N ATOM 370 CZ ARG A 24 -9.581 -6.667 -8.828 1.00 0.00 C ATOM 371 NH1 ARG A 24 -10.210 -5.827 -9.640 1.00 0.00 N ATOM 372 NH2 ARG A 24 -9.840 -7.965 -8.893 1.00 0.00 N ATOM 0 H ARG A 24 -5.270 -3.013 -5.817 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.637 -3.119 -8.349 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.296 -2.609 -5.437 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.487 -2.272 -6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.225 -4.953 -6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.905 -4.490 -5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.086 -4.180 -8.295 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.414 -4.673 -8.473 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.341 -6.852 -7.240 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.036 -4.824 -9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.867 -6.184 -10.334 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.382 -8.609 -8.249 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.498 -8.320 -9.587 1.00 0.00 H new ATOM 386 N LEU A 25 -5.738 -0.325 -7.004 1.00 0.00 N ATOM 387 CA LEU A 25 -5.812 1.113 -7.057 1.00 0.00 C ATOM 388 C LEU A 25 -5.143 1.641 -8.316 1.00 0.00 C ATOM 389 O LEU A 25 -5.671 2.536 -8.981 1.00 0.00 O ATOM 390 CB LEU A 25 -5.153 1.679 -5.809 1.00 0.00 C ATOM 391 CG LEU A 25 -5.276 3.177 -5.623 1.00 0.00 C ATOM 392 CD1 LEU A 25 -6.740 3.575 -5.498 1.00 0.00 C ATOM 393 CD2 LEU A 25 -4.497 3.585 -4.397 1.00 0.00 C ATOM 0 H LEU A 25 -5.032 -0.690 -6.364 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.855 1.427 -7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.585 1.187 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.094 1.420 -5.830 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.866 3.692 -6.492 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.814 4.654 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.275 3.284 -6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.182 3.072 -4.637 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.580 4.663 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.899 3.072 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.449 3.316 -4.526 1.00 0.00 H new ATOM 405 N ASN A 26 -4.005 1.039 -8.652 1.00 0.00 N ATOM 406 CA ASN A 26 -3.194 1.467 -9.785 1.00 0.00 C ATOM 407 C ASN A 26 -1.857 0.726 -9.825 1.00 0.00 C ATOM 408 O ASN A 26 -1.110 0.856 -10.791 1.00 0.00 O ATOM 409 CB ASN A 26 -2.954 2.987 -9.766 1.00 0.00 C ATOM 410 CG ASN A 26 -2.191 3.474 -8.544 1.00 0.00 C ATOM 411 OD1 ASN A 26 -2.216 2.851 -7.480 1.00 0.00 O ATOM 412 ND2 ASN A 26 -1.527 4.610 -8.681 1.00 0.00 N ATOM 0 H ASN A 26 -3.621 0.241 -8.146 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.754 1.220 -10.687 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.403 3.269 -10.663 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.916 3.498 -9.809 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.013 4.999 -7.891 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.529 5.097 -9.577 1.00 0.00 H new ATOM 419 N VAL A 27 -1.585 -0.061 -8.769 1.00 0.00 N ATOM 420 CA VAL A 27 -0.366 -0.883 -8.637 1.00 0.00 C ATOM 421 C VAL A 27 0.873 -0.254 -9.313 1.00 0.00 C ATOM 422 O VAL A 27 1.431 -0.776 -10.277 1.00 0.00 O ATOM 423 CB VAL A 27 -0.623 -2.339 -9.132 1.00 0.00 C ATOM 424 CG1 VAL A 27 -0.999 -2.387 -10.608 1.00 0.00 C ATOM 425 CG2 VAL A 27 0.570 -3.242 -8.853 1.00 0.00 C ATOM 0 H VAL A 27 -2.214 -0.146 -7.971 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.128 -0.921 -7.574 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.475 -2.714 -8.564 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.168 -3.421 -10.907 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.909 -1.809 -10.771 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.189 -1.965 -11.204 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.356 -4.249 -9.211 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.449 -2.853 -9.367 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.761 -3.271 -7.780 1.00 0.00 H new ATOM 435 N PRO A 28 1.296 0.904 -8.787 1.00 0.00 N ATOM 436 CA PRO A 28 2.442 1.673 -9.291 1.00 0.00 C ATOM 437 C PRO A 28 3.697 1.538 -8.428 1.00 0.00 C ATOM 438 O PRO A 28 4.563 2.413 -8.438 1.00 0.00 O ATOM 439 CB PRO A 28 1.894 3.079 -9.124 1.00 0.00 C ATOM 440 CG PRO A 28 1.230 3.010 -7.785 1.00 0.00 C ATOM 441 CD PRO A 28 0.630 1.629 -7.692 1.00 0.00 C ATOM 0 HA PRO A 28 2.756 1.365 -10.288 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.685 3.828 -9.147 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.189 3.336 -9.914 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.949 3.178 -6.983 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.461 3.777 -7.690 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.827 1.168 -6.724 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.452 1.650 -7.821 1.00 0.00 H new ATOM 449 N HIS A 29 3.810 0.448 -7.693 1.00 0.00 N ATOM 450 CA HIS A 29 4.727 0.404 -6.561 1.00 0.00 C ATOM 451 C HIS A 29 5.843 -0.612 -6.713 1.00 0.00 C ATOM 452 O HIS A 29 5.861 -1.415 -7.641 1.00 0.00 O ATOM 453 CB HIS A 29 3.951 0.101 -5.286 1.00 0.00 C ATOM 454 CG HIS A 29 3.070 -1.116 -5.389 1.00 0.00 C ATOM 455 ND1 HIS A 29 1.695 -1.047 -5.485 1.00 0.00 N ATOM 456 CD2 HIS A 29 3.375 -2.437 -5.413 1.00 0.00 C ATOM 457 CE1 HIS A 29 1.198 -2.270 -5.566 1.00 0.00 C ATOM 458 NE2 HIS A 29 2.196 -3.131 -5.526 1.00 0.00 N ATOM 0 H HIS A 29 3.286 -0.412 -7.854 1.00 0.00 H new ATOM 0 HA HIS A 29 5.199 1.386 -6.514 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.656 -0.040 -4.467 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.335 0.964 -5.032 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.365 -2.865 -5.354 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.151 -2.521 -5.651 1.00 0.00 H new ATOM 0 HE2 HIS A 29 2.107 -4.146 -5.572 1.00 0.00 H new ATOM 467 N ARG A 30 6.771 -0.557 -5.767 1.00 0.00 N ATOM 468 CA ARG A 30 7.818 -1.557 -5.660 1.00 0.00 C ATOM 469 C ARG A 30 7.417 -2.647 -4.672 1.00 0.00 C ATOM 470 O ARG A 30 7.008 -2.351 -3.553 1.00 0.00 O ATOM 471 CB ARG A 30 9.118 -0.909 -5.197 1.00 0.00 C ATOM 472 CG ARG A 30 10.172 -1.921 -4.796 1.00 0.00 C ATOM 473 CD ARG A 30 11.375 -1.259 -4.154 1.00 0.00 C ATOM 474 NE ARG A 30 12.015 -0.299 -5.054 1.00 0.00 N ATOM 475 CZ ARG A 30 13.275 -0.401 -5.472 1.00 0.00 C ATOM 476 NH1 ARG A 30 14.016 -1.443 -5.108 1.00 0.00 N ATOM 477 NH2 ARG A 30 13.789 0.532 -6.265 1.00 0.00 N ATOM 0 H ARG A 30 6.817 0.176 -5.059 1.00 0.00 H new ATOM 0 HA ARG A 30 7.965 -2.004 -6.643 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.510 -0.281 -5.997 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.910 -0.254 -4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.739 -2.640 -4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.491 -2.480 -5.675 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.065 -0.750 -3.241 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.097 -2.022 -3.864 1.00 0.00 H new ATOM 0 HE ARG A 30 11.464 0.495 -5.380 1.00 0.00 H new ATOM 0 HH11 ARG A 30 13.619 -2.166 -4.508 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.981 -1.520 -5.429 1.00 0.00 H new ATOM 0 HH21 ARG A 30 13.219 1.327 -6.554 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.754 0.454 -6.585 1.00 0.00 H new ATOM 491 N VAL A 31 7.506 -3.892 -5.111 1.00 0.00 N ATOM 492 CA VAL A 31 7.317 -5.047 -4.244 1.00 0.00 C ATOM 493 C VAL A 31 8.660 -5.693 -3.927 1.00 0.00 C ATOM 494 O VAL A 31 9.387 -6.107 -4.828 1.00 0.00 O ATOM 495 CB VAL A 31 6.403 -6.102 -4.901 1.00 0.00 C ATOM 496 CG1 VAL A 31 6.262 -7.337 -4.012 1.00 0.00 C ATOM 497 CG2 VAL A 31 5.046 -5.498 -5.217 1.00 0.00 C ATOM 0 H VAL A 31 7.712 -4.132 -6.081 1.00 0.00 H new ATOM 0 HA VAL A 31 6.845 -4.692 -3.328 1.00 0.00 H new ATOM 0 HB VAL A 31 6.863 -6.422 -5.836 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.613 -8.064 -4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.244 -7.781 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.829 -7.048 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.411 -6.253 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.580 -5.147 -4.296 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.172 -4.659 -5.902 1.00 0.00 H new ATOM 507 N SER A 32 8.987 -5.769 -2.653 1.00 0.00 N ATOM 508 CA SER A 32 10.226 -6.394 -2.217 1.00 0.00 C ATOM 509 C SER A 32 10.021 -7.044 -0.864 1.00 0.00 C ATOM 510 O SER A 32 9.514 -6.420 0.058 1.00 0.00 O ATOM 511 CB SER A 32 11.360 -5.372 -2.138 1.00 0.00 C ATOM 512 OG SER A 32 11.534 -4.697 -3.376 1.00 0.00 O ATOM 0 H SER A 32 8.410 -5.404 -1.895 1.00 0.00 H new ATOM 0 HA SER A 32 10.504 -7.153 -2.948 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.145 -4.647 -1.353 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.287 -5.875 -1.862 1.00 0.00 H new ATOM 0 HG SER A 32 12.359 -4.168 -3.347 1.00 0.00 H new ATOM 518 N GLU A 33 10.423 -8.291 -0.748 1.00 0.00 N ATOM 519 CA GLU A 33 10.160 -9.072 0.451 1.00 0.00 C ATOM 520 C GLU A 33 11.186 -8.761 1.529 1.00 0.00 C ATOM 521 O GLU A 33 12.322 -9.230 1.484 1.00 0.00 O ATOM 522 CB GLU A 33 10.142 -10.555 0.093 1.00 0.00 C ATOM 523 CG GLU A 33 9.010 -10.897 -0.863 1.00 0.00 C ATOM 524 CD GLU A 33 9.210 -12.212 -1.580 1.00 0.00 C ATOM 525 OE1 GLU A 33 8.791 -13.260 -1.048 1.00 0.00 O ATOM 526 OE2 GLU A 33 9.772 -12.201 -2.696 1.00 0.00 O ATOM 0 H GLU A 33 10.937 -8.793 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 33 9.184 -8.805 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.095 -10.830 -0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.039 -11.146 1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.073 -10.933 -0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.913 -10.100 -1.600 1.00 0.00 H new ATOM 533 N GLU A 34 10.764 -7.960 2.499 1.00 0.00 N ATOM 534 CA GLU A 34 11.661 -7.460 3.533 1.00 0.00 C ATOM 535 C GLU A 34 11.431 -8.171 4.864 1.00 0.00 C ATOM 536 O GLU A 34 10.354 -8.053 5.456 1.00 0.00 O ATOM 537 CB GLU A 34 11.464 -5.949 3.719 1.00 0.00 C ATOM 538 CG GLU A 34 11.771 -5.127 2.477 1.00 0.00 C ATOM 539 CD GLU A 34 13.194 -5.308 1.990 1.00 0.00 C ATOM 540 OE1 GLU A 34 14.122 -4.762 2.628 1.00 0.00 O ATOM 541 OE2 GLU A 34 13.395 -5.997 0.970 1.00 0.00 O ATOM 0 H GLU A 34 9.800 -7.641 2.591 1.00 0.00 H new ATOM 0 HA GLU A 34 12.682 -7.660 3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.433 -5.762 4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.101 -5.608 4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.081 -5.408 1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.597 -4.073 2.692 1.00 0.00 H new ATOM 548 N SER A 35 12.441 -8.931 5.297 1.00 0.00 N ATOM 549 CA SER A 35 12.481 -9.562 6.625 1.00 0.00 C ATOM 550 C SER A 35 11.468 -10.704 6.785 1.00 0.00 C ATOM 551 O SER A 35 11.764 -11.719 7.419 1.00 0.00 O ATOM 552 CB SER A 35 12.271 -8.511 7.721 1.00 0.00 C ATOM 553 OG SER A 35 13.186 -7.436 7.577 1.00 0.00 O ATOM 0 H SER A 35 13.265 -9.130 4.730 1.00 0.00 H new ATOM 0 HA SER A 35 13.471 -10.007 6.726 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.250 -8.133 7.676 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.397 -8.972 8.701 1.00 0.00 H new ATOM 0 HG SER A 35 13.031 -6.778 8.286 1.00 0.00 H new ATOM 559 N GLY A 36 10.287 -10.543 6.218 1.00 0.00 N ATOM 560 CA GLY A 36 9.254 -11.542 6.370 1.00 0.00 C ATOM 561 C GLY A 36 7.899 -11.086 5.866 1.00 0.00 C ATOM 562 O GLY A 36 6.908 -11.792 6.029 1.00 0.00 O ATOM 0 H GLY A 36 10.023 -9.736 5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.549 -12.444 5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.170 -11.811 7.423 1.00 0.00 H new ATOM 566 N GLN A 37 7.836 -9.903 5.273 1.00 0.00 N ATOM 567 CA GLN A 37 6.624 -9.451 4.625 1.00 0.00 C ATOM 568 C GLN A 37 6.994 -8.972 3.248 1.00 0.00 C ATOM 569 O GLN A 37 8.080 -8.438 3.055 1.00 0.00 O ATOM 570 CB GLN A 37 5.947 -8.313 5.412 1.00 0.00 C ATOM 571 CG GLN A 37 5.728 -8.632 6.887 1.00 0.00 C ATOM 572 CD GLN A 37 4.530 -7.928 7.506 1.00 0.00 C ATOM 573 OE1 GLN A 37 4.594 -7.476 8.646 1.00 0.00 O ATOM 574 NE2 GLN A 37 3.407 -7.911 6.807 1.00 0.00 N ATOM 0 H GLN A 37 8.612 -9.242 5.230 1.00 0.00 H new ATOM 0 HA GLN A 37 5.912 -10.275 4.577 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.558 -7.414 5.331 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.985 -8.087 4.952 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.600 -9.709 6.999 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.624 -8.357 7.444 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.389 -8.295 5.862 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.560 -7.514 7.213 1.00 0.00 H new ATOM 583 N GLN A 38 6.134 -9.207 2.280 1.00 0.00 N ATOM 584 CA GLN A 38 6.307 -8.581 1.002 1.00 0.00 C ATOM 585 C GLN A 38 6.040 -7.129 1.214 1.00 0.00 C ATOM 586 O GLN A 38 5.112 -6.772 1.918 1.00 0.00 O ATOM 587 CB GLN A 38 5.324 -9.121 -0.014 1.00 0.00 C ATOM 588 CG GLN A 38 5.427 -10.602 -0.309 1.00 0.00 C ATOM 589 CD GLN A 38 4.183 -11.064 -1.025 1.00 0.00 C ATOM 590 OE1 GLN A 38 4.220 -11.933 -1.897 1.00 0.00 O ATOM 591 NE2 GLN A 38 3.058 -10.504 -0.612 1.00 0.00 N ATOM 0 H GLN A 38 5.322 -9.819 2.358 1.00 0.00 H new ATOM 0 HA GLN A 38 7.310 -8.771 0.619 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.314 -8.909 0.338 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.458 -8.574 -0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.306 -10.800 -0.922 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.553 -11.160 0.619 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.081 -9.788 0.114 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.167 -10.788 -1.019 1.00 0.00 H new ATOM 600 N VAL A 39 6.856 -6.295 0.656 1.00 0.00 N ATOM 601 CA VAL A 39 6.824 -4.918 1.023 1.00 0.00 C ATOM 602 C VAL A 39 6.723 -4.013 -0.176 1.00 0.00 C ATOM 603 O VAL A 39 7.283 -4.270 -1.227 1.00 0.00 O ATOM 604 CB VAL A 39 8.031 -4.610 1.907 1.00 0.00 C ATOM 605 CG1 VAL A 39 8.125 -3.153 2.230 1.00 0.00 C ATOM 606 CG2 VAL A 39 7.868 -5.426 3.149 1.00 0.00 C ATOM 0 H VAL A 39 7.549 -6.541 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 39 5.920 -4.720 1.599 1.00 0.00 H new ATOM 0 HB VAL A 39 8.957 -4.861 1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.996 -2.976 2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.222 -2.581 1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.225 -2.839 2.758 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.709 -5.242 3.818 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.940 -5.148 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.837 -6.484 2.888 1.00 0.00 H new ATOM 616 N LEU A 40 5.972 -2.972 0.014 1.00 0.00 N ATOM 617 CA LEU A 40 5.574 -2.079 -1.026 1.00 0.00 C ATOM 618 C LEU A 40 6.105 -0.692 -0.714 1.00 0.00 C ATOM 619 O LEU A 40 5.917 -0.166 0.386 1.00 0.00 O ATOM 620 CB LEU A 40 4.058 -2.145 -1.082 1.00 0.00 C ATOM 621 CG LEU A 40 3.329 -1.241 -2.085 1.00 0.00 C ATOM 622 CD1 LEU A 40 1.853 -1.571 -2.092 1.00 0.00 C ATOM 623 CD2 LEU A 40 3.518 0.226 -1.766 1.00 0.00 C ATOM 0 H LEU A 40 5.607 -2.713 0.931 1.00 0.00 H new ATOM 0 HA LEU A 40 5.977 -2.346 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.777 -3.176 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.678 -1.913 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 40 3.759 -1.427 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.339 -0.927 -2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.715 -2.613 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.440 -1.411 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.985 0.830 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.125 0.436 -0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.580 0.471 -1.796 1.00 0.00 H new ATOM 635 N TRP A 41 6.791 -0.119 -1.677 1.00 0.00 N ATOM 636 CA TRP A 41 7.449 1.147 -1.476 1.00 0.00 C ATOM 637 C TRP A 41 7.018 2.113 -2.574 1.00 0.00 C ATOM 638 O TRP A 41 7.454 1.959 -3.716 1.00 0.00 O ATOM 639 CB TRP A 41 8.993 1.001 -1.569 1.00 0.00 C ATOM 640 CG TRP A 41 9.585 -0.229 -0.930 1.00 0.00 C ATOM 641 CD1 TRP A 41 9.024 -1.462 -0.863 1.00 0.00 C ATOM 642 CD2 TRP A 41 10.877 -0.358 -0.321 1.00 0.00 C ATOM 643 NE1 TRP A 41 9.841 -2.333 -0.214 1.00 0.00 N ATOM 644 CE2 TRP A 41 10.990 -1.688 0.127 1.00 0.00 C ATOM 645 CE3 TRP A 41 11.939 0.519 -0.093 1.00 0.00 C ATOM 646 CZ2 TRP A 41 12.114 -2.161 0.782 1.00 0.00 C ATOM 647 CZ3 TRP A 41 13.061 0.044 0.559 1.00 0.00 C ATOM 648 CH2 TRP A 41 13.139 -1.284 0.991 1.00 0.00 C ATOM 0 H TRP A 41 6.907 -0.514 -2.610 1.00 0.00 H new ATOM 0 HA TRP A 41 7.175 1.512 -0.486 1.00 0.00 H new ATOM 0 HB2 TRP A 41 9.275 1.010 -2.622 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.448 1.878 -1.110 1.00 0.00 H new ATOM 0 HD1 TRP A 41 8.057 -1.718 -1.271 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.628 -3.310 -0.015 1.00 0.00 H new ATOM 0 HE3 TRP A 41 11.885 1.547 -0.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.178 -3.186 1.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 13.892 0.710 0.738 1.00 0.00 H new ATOM 0 HH2 TRP A 41 14.029 -1.623 1.501 1.00 0.00 H new ATOM 659 N VAL A 42 6.124 3.051 -2.278 1.00 0.00 N ATOM 660 CA VAL A 42 5.917 4.161 -3.221 1.00 0.00 C ATOM 661 C VAL A 42 5.792 5.584 -2.621 1.00 0.00 C ATOM 662 O VAL A 42 5.371 6.488 -3.342 1.00 0.00 O ATOM 663 CB VAL A 42 4.707 3.949 -4.148 1.00 0.00 C ATOM 664 CG1 VAL A 42 5.157 3.353 -5.466 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.646 3.083 -3.495 1.00 0.00 C ATOM 0 H VAL A 42 5.551 3.075 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 42 6.857 4.127 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 42 4.255 4.922 -4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.292 3.207 -6.114 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.862 4.029 -5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.640 2.393 -5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.808 2.956 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.069 2.108 -3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.298 3.562 -2.580 1.00 0.00 H new ATOM 675 N PRO A 43 6.131 5.863 -1.342 1.00 0.00 N ATOM 676 CA PRO A 43 6.036 7.222 -0.820 1.00 0.00 C ATOM 677 C PRO A 43 7.338 8.026 -0.881 1.00 0.00 C ATOM 678 O PRO A 43 8.122 7.924 -1.821 1.00 0.00 O ATOM 679 CB PRO A 43 5.689 6.918 0.615 1.00 0.00 C ATOM 680 CG PRO A 43 6.611 5.822 0.939 1.00 0.00 C ATOM 681 CD PRO A 43 6.534 4.937 -0.263 1.00 0.00 C ATOM 0 HA PRO A 43 5.339 7.841 -1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.842 7.782 1.262 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.647 6.618 0.726 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.625 6.186 1.106 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.308 5.297 1.845 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.493 4.464 -0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.807 4.137 -0.127 1.00 0.00 H new ATOM 689 N ASP A 44 7.534 8.816 0.169 1.00 0.00 N ATOM 690 CA ASP A 44 8.686 9.704 0.319 1.00 0.00 C ATOM 691 C ASP A 44 9.119 9.717 1.771 1.00 0.00 C ATOM 692 O ASP A 44 10.175 9.209 2.142 1.00 0.00 O ATOM 693 CB ASP A 44 8.324 11.140 -0.079 1.00 0.00 C ATOM 694 CG ASP A 44 9.397 12.141 0.320 1.00 0.00 C ATOM 695 OD1 ASP A 44 10.523 12.064 -0.215 1.00 0.00 O ATOM 696 OD2 ASP A 44 9.116 13.009 1.180 1.00 0.00 O ATOM 0 H ASP A 44 6.886 8.859 0.955 1.00 0.00 H new ATOM 0 HA ASP A 44 9.485 9.338 -0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.170 11.187 -1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.380 11.417 0.390 1.00 0.00 H new ATOM 701 N GLU A 45 8.259 10.308 2.579 1.00 0.00 N ATOM 702 CA GLU A 45 8.488 10.479 3.998 1.00 0.00 C ATOM 703 C GLU A 45 7.210 10.990 4.616 1.00 0.00 C ATOM 704 O GLU A 45 6.653 10.382 5.525 1.00 0.00 O ATOM 705 CB GLU A 45 9.628 11.474 4.225 1.00 0.00 C ATOM 706 CG GLU A 45 9.921 11.769 5.682 1.00 0.00 C ATOM 707 CD GLU A 45 11.021 12.795 5.845 1.00 0.00 C ATOM 708 OE1 GLU A 45 12.145 12.550 5.350 1.00 0.00 O ATOM 709 OE2 GLU A 45 10.769 13.860 6.447 1.00 0.00 O ATOM 0 H GLU A 45 7.368 10.688 2.261 1.00 0.00 H new ATOM 0 HA GLU A 45 8.771 9.532 4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.532 11.085 3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.384 12.409 3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.014 12.130 6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.208 10.847 6.187 1.00 0.00 H new ATOM 716 N ARG A 46 6.726 12.093 4.074 1.00 0.00 N ATOM 717 CA ARG A 46 5.424 12.607 4.455 1.00 0.00 C ATOM 718 C ARG A 46 4.367 11.887 3.641 1.00 0.00 C ATOM 719 O ARG A 46 3.260 11.619 4.106 1.00 0.00 O ATOM 720 CB ARG A 46 5.318 14.127 4.257 1.00 0.00 C ATOM 721 CG ARG A 46 5.441 14.606 2.818 1.00 0.00 C ATOM 722 CD ARG A 46 6.880 14.948 2.478 1.00 0.00 C ATOM 723 NE ARG A 46 7.450 15.882 3.444 1.00 0.00 N ATOM 724 CZ ARG A 46 8.716 15.859 3.851 1.00 0.00 C ATOM 725 NH1 ARG A 46 9.575 14.990 3.327 1.00 0.00 N ATOM 726 NH2 ARG A 46 9.121 16.708 4.786 1.00 0.00 N ATOM 0 H ARG A 46 7.214 12.648 3.371 1.00 0.00 H new ATOM 0 HA ARG A 46 5.274 12.424 5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.360 14.462 4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.095 14.609 4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.078 13.832 2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.810 15.482 2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.477 14.036 2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.926 15.383 1.479 1.00 0.00 H new ATOM 0 HE ARG A 46 6.837 16.599 3.832 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.264 14.336 2.609 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.545 14.977 3.643 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.463 17.374 5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.091 16.694 5.102 1.00 0.00 H new ATOM 740 N LEU A 47 4.757 11.540 2.424 1.00 0.00 N ATOM 741 CA LEU A 47 3.909 10.798 1.510 1.00 0.00 C ATOM 742 C LEU A 47 3.623 9.411 2.084 1.00 0.00 C ATOM 743 O LEU A 47 2.548 8.867 1.890 1.00 0.00 O ATOM 744 CB LEU A 47 4.618 10.695 0.150 1.00 0.00 C ATOM 745 CG LEU A 47 3.726 10.427 -1.066 1.00 0.00 C ATOM 746 CD1 LEU A 47 4.547 10.524 -2.339 1.00 0.00 C ATOM 747 CD2 LEU A 47 3.075 9.063 -0.978 1.00 0.00 C ATOM 0 H LEU A 47 5.675 11.767 2.043 1.00 0.00 H new ATOM 0 HA LEU A 47 2.957 11.312 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.161 11.624 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.360 9.899 0.211 1.00 0.00 H new ATOM 0 HG LEU A 47 2.938 11.180 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.907 10.332 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.975 11.523 -2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.349 9.786 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.448 8.902 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.846 8.294 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.461 9.010 -0.079 1.00 0.00 H new ATOM 759 N ALA A 48 4.591 8.877 2.823 1.00 0.00 N ATOM 760 CA ALA A 48 4.523 7.528 3.390 1.00 0.00 C ATOM 761 C ALA A 48 3.162 7.213 4.005 1.00 0.00 C ATOM 762 O ALA A 48 2.557 6.164 3.740 1.00 0.00 O ATOM 763 CB ALA A 48 5.611 7.381 4.439 1.00 0.00 C ATOM 0 H ALA A 48 5.454 9.371 3.049 1.00 0.00 H new ATOM 0 HA ALA A 48 4.671 6.817 2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.570 6.380 4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.586 7.538 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.460 8.120 5.226 1.00 0.00 H new ATOM 769 N GLU A 49 2.671 8.159 4.782 1.00 0.00 N ATOM 770 CA GLU A 49 1.442 7.984 5.532 1.00 0.00 C ATOM 771 C GLU A 49 0.264 8.043 4.582 1.00 0.00 C ATOM 772 O GLU A 49 -0.653 7.233 4.644 1.00 0.00 O ATOM 773 CB GLU A 49 1.327 9.080 6.586 1.00 0.00 C ATOM 774 CG GLU A 49 2.655 9.426 7.229 1.00 0.00 C ATOM 775 CD GLU A 49 2.515 10.410 8.364 1.00 0.00 C ATOM 776 OE1 GLU A 49 2.367 11.621 8.100 1.00 0.00 O ATOM 777 OE2 GLU A 49 2.569 9.977 9.531 1.00 0.00 O ATOM 0 H GLU A 49 3.112 9.070 4.911 1.00 0.00 H new ATOM 0 HA GLU A 49 1.448 7.015 6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.908 9.975 6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.628 8.761 7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.123 8.514 7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.322 9.842 6.474 1.00 0.00 H new ATOM 784 N GLN A 50 0.340 8.984 3.663 1.00 0.00 N ATOM 785 CA GLN A 50 -0.688 9.179 2.667 1.00 0.00 C ATOM 786 C GLN A 50 -0.793 7.947 1.778 1.00 0.00 C ATOM 787 O GLN A 50 -1.879 7.570 1.341 1.00 0.00 O ATOM 788 CB GLN A 50 -0.361 10.447 1.854 1.00 0.00 C ATOM 789 CG GLN A 50 -0.363 10.274 0.339 1.00 0.00 C ATOM 790 CD GLN A 50 -1.741 10.414 -0.287 1.00 0.00 C ATOM 791 OE1 GLN A 50 -1.867 10.852 -1.430 1.00 0.00 O ATOM 792 NE2 GLN A 50 -2.780 10.049 0.445 1.00 0.00 N ATOM 0 H GLN A 50 1.120 9.636 3.588 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.658 9.317 3.145 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.083 11.221 2.115 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.620 10.810 2.159 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.305 11.013 -0.104 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.041 9.292 0.093 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.638 9.690 1.389 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.724 10.126 0.065 1.00 0.00 H new ATOM 801 N VAL A 51 0.331 7.279 1.580 1.00 0.00 N ATOM 802 CA VAL A 51 0.406 6.235 0.588 1.00 0.00 C ATOM 803 C VAL A 51 -0.312 4.993 1.085 1.00 0.00 C ATOM 804 O VAL A 51 -1.262 4.555 0.475 1.00 0.00 O ATOM 805 CB VAL A 51 1.874 5.934 0.142 1.00 0.00 C ATOM 806 CG1 VAL A 51 2.526 4.786 0.897 1.00 0.00 C ATOM 807 CG2 VAL A 51 1.924 5.673 -1.354 1.00 0.00 C ATOM 0 H VAL A 51 1.197 7.444 2.093 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.103 6.587 -0.309 1.00 0.00 H new ATOM 0 HB VAL A 51 2.453 6.824 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.542 4.640 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.555 5.020 1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.949 3.874 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.951 5.465 -1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.295 4.816 -1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.562 6.551 -1.889 1.00 0.00 H new ATOM 817 N ARG A 52 0.077 4.447 2.213 1.00 0.00 N ATOM 818 CA ARG A 52 -0.563 3.216 2.648 1.00 0.00 C ATOM 819 C ARG A 52 -1.863 3.509 3.379 1.00 0.00 C ATOM 820 O ARG A 52 -2.860 2.814 3.193 1.00 0.00 O ATOM 821 CB ARG A 52 0.372 2.376 3.517 1.00 0.00 C ATOM 822 CG ARG A 52 0.373 2.774 4.979 1.00 0.00 C ATOM 823 CD ARG A 52 1.437 2.041 5.757 1.00 0.00 C ATOM 824 NE ARG A 52 1.359 2.341 7.189 1.00 0.00 N ATOM 825 CZ ARG A 52 2.400 2.340 8.021 1.00 0.00 C ATOM 826 NH1 ARG A 52 3.611 2.049 7.573 1.00 0.00 N ATOM 827 NH2 ARG A 52 2.226 2.616 9.307 1.00 0.00 N ATOM 0 H ARG A 52 0.803 4.813 2.829 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.797 2.634 1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.084 1.328 3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.387 2.459 3.127 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.536 3.848 5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.604 2.565 5.414 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.327 0.968 5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.421 2.318 5.379 1.00 0.00 H new ATOM 0 HE ARG A 52 0.443 2.567 7.577 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.750 1.824 6.588 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.405 2.049 8.213 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.294 2.830 9.661 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.025 2.614 9.942 1.00 0.00 H new ATOM 841 N GLU A 53 -1.870 4.571 4.169 1.00 0.00 N ATOM 842 CA GLU A 53 -2.974 4.817 5.074 1.00 0.00 C ATOM 843 C GLU A 53 -4.138 5.432 4.368 1.00 0.00 C ATOM 844 O GLU A 53 -5.248 5.336 4.839 1.00 0.00 O ATOM 845 CB GLU A 53 -2.563 5.722 6.221 1.00 0.00 C ATOM 846 CG GLU A 53 -1.468 5.137 7.075 1.00 0.00 C ATOM 847 CD GLU A 53 -1.905 3.875 7.795 1.00 0.00 C ATOM 848 OE1 GLU A 53 -3.042 3.838 8.311 1.00 0.00 O ATOM 849 OE2 GLU A 53 -1.115 2.915 7.854 1.00 0.00 O ATOM 0 H GLU A 53 -1.128 5.270 4.200 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.268 3.845 5.470 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.230 6.679 5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.433 5.924 6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.604 4.914 6.449 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.148 5.878 7.808 1.00 0.00 H new ATOM 856 N LEU A 54 -3.904 6.091 3.265 1.00 0.00 N ATOM 857 CA LEU A 54 -5.017 6.643 2.535 1.00 0.00 C ATOM 858 C LEU A 54 -5.351 5.803 1.335 1.00 0.00 C ATOM 859 O LEU A 54 -6.494 5.739 0.940 1.00 0.00 O ATOM 860 CB LEU A 54 -4.799 8.100 2.153 1.00 0.00 C ATOM 861 CG LEU A 54 -4.866 9.059 3.338 1.00 0.00 C ATOM 862 CD1 LEU A 54 -3.585 8.972 4.143 1.00 0.00 C ATOM 863 CD2 LEU A 54 -5.124 10.482 2.870 1.00 0.00 C ATOM 0 H LEU A 54 -2.983 6.257 2.860 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.875 6.624 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.826 8.199 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.550 8.391 1.418 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.699 8.769 3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.639 9.659 4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.455 7.954 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.739 9.240 3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.167 11.147 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.318 10.799 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.072 10.522 2.333 1.00 0.00 H new ATOM 875 N TYR A 55 -4.392 5.098 0.782 1.00 0.00 N ATOM 876 CA TYR A 55 -4.713 4.252 -0.358 1.00 0.00 C ATOM 877 C TYR A 55 -5.637 3.154 0.111 1.00 0.00 C ATOM 878 O TYR A 55 -6.473 2.662 -0.631 1.00 0.00 O ATOM 879 CB TYR A 55 -3.475 3.646 -1.003 1.00 0.00 C ATOM 880 CG TYR A 55 -2.693 4.599 -1.890 1.00 0.00 C ATOM 881 CD1 TYR A 55 -3.001 5.955 -1.942 1.00 0.00 C ATOM 882 CD2 TYR A 55 -1.638 4.140 -2.669 1.00 0.00 C ATOM 883 CE1 TYR A 55 -2.287 6.820 -2.748 1.00 0.00 C ATOM 884 CE2 TYR A 55 -0.919 5.001 -3.478 1.00 0.00 C ATOM 885 CZ TYR A 55 -1.246 6.340 -3.511 1.00 0.00 C ATOM 886 OH TYR A 55 -0.532 7.202 -4.316 1.00 0.00 O ATOM 0 H TYR A 55 -3.417 5.086 1.083 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.192 4.869 -1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.815 3.278 -0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.776 2.783 -1.596 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.813 6.338 -1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.375 3.093 -2.642 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.544 7.868 -2.780 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.105 4.626 -4.081 1.00 0.00 H new ATOM 0 HH TYR A 55 0.169 6.705 -4.787 1.00 0.00 H new ATOM 896 N ARG A 56 -5.486 2.808 1.379 1.00 0.00 N ATOM 897 CA ARG A 56 -6.274 1.757 1.988 1.00 0.00 C ATOM 898 C ARG A 56 -7.718 2.194 2.296 1.00 0.00 C ATOM 899 O ARG A 56 -8.542 1.354 2.655 1.00 0.00 O ATOM 900 CB ARG A 56 -5.572 1.288 3.261 1.00 0.00 C ATOM 901 CG ARG A 56 -5.855 2.152 4.469 1.00 0.00 C ATOM 902 CD ARG A 56 -4.835 1.931 5.584 1.00 0.00 C ATOM 903 NE ARG A 56 -4.857 0.560 6.091 1.00 0.00 N ATOM 904 CZ ARG A 56 -4.206 0.162 7.184 1.00 0.00 C ATOM 905 NH1 ARG A 56 -3.509 1.033 7.904 1.00 0.00 N ATOM 906 NH2 ARG A 56 -4.267 -1.105 7.569 1.00 0.00 N ATOM 0 H ARG A 56 -4.816 3.248 2.010 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.351 0.938 1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.879 0.265 3.478 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.497 1.267 3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.847 3.201 4.174 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.855 1.934 4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.837 2.163 5.212 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.038 2.622 6.402 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.403 -0.133 5.578 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.470 2.012 7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.013 0.723 8.739 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.812 -1.777 7.029 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.768 -1.408 8.406 1.00 0.00 H new ATOM 920 N ARG A 57 -8.054 3.487 2.148 1.00 0.00 N ATOM 921 CA ARG A 57 -9.360 3.948 2.639 1.00 0.00 C ATOM 922 C ARG A 57 -9.919 5.182 1.927 1.00 0.00 C ATOM 923 O ARG A 57 -11.121 5.405 1.964 1.00 0.00 O ATOM 924 CB ARG A 57 -9.276 4.209 4.141 1.00 0.00 C ATOM 925 CG ARG A 57 -7.911 4.691 4.587 1.00 0.00 C ATOM 926 CD ARG A 57 -7.794 4.819 6.095 1.00 0.00 C ATOM 927 NE ARG A 57 -8.755 5.768 6.665 1.00 0.00 N ATOM 928 CZ ARG A 57 -9.863 5.407 7.323 1.00 0.00 C ATOM 929 NH1 ARG A 57 -10.143 4.123 7.507 1.00 0.00 N ATOM 930 NH2 ARG A 57 -10.682 6.337 7.802 1.00 0.00 N ATOM 0 H ARG A 57 -7.469 4.201 1.713 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.061 3.144 2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.025 4.952 4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.524 3.293 4.677 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.151 3.998 4.226 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.705 5.658 4.128 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.945 3.840 6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.783 5.137 6.350 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.568 6.764 6.553 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.513 3.407 7.146 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.989 3.852 8.009 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.466 7.325 7.668 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.527 6.063 8.304 1.00 0.00 H new ATOM 944 N TYR A 58 -9.075 5.997 1.317 1.00 0.00 N ATOM 945 CA TYR A 58 -9.558 7.205 0.648 1.00 0.00 C ATOM 946 C TYR A 58 -9.388 7.119 -0.881 1.00 0.00 C ATOM 947 O TYR A 58 -10.375 7.000 -1.571 1.00 0.00 O ATOM 948 CB TYR A 58 -8.927 8.475 1.247 1.00 0.00 C ATOM 949 CG TYR A 58 -9.407 8.792 2.642 1.00 0.00 C ATOM 950 CD1 TYR A 58 -9.281 7.862 3.649 1.00 0.00 C ATOM 951 CD2 TYR A 58 -9.980 10.020 2.952 1.00 0.00 C ATOM 952 CE1 TYR A 58 -9.708 8.125 4.927 1.00 0.00 C ATOM 953 CE2 TYR A 58 -10.414 10.299 4.236 1.00 0.00 C ATOM 954 CZ TYR A 58 -10.275 9.341 5.220 1.00 0.00 C ATOM 955 OH TYR A 58 -10.699 9.599 6.504 1.00 0.00 O ATOM 0 H TYR A 58 -8.066 5.853 1.268 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.630 7.276 0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.843 8.358 1.263 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.147 9.321 0.596 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.836 6.903 3.429 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.088 10.767 2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.598 7.378 5.699 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.857 11.257 4.466 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.076 10.502 6.549 1.00 0.00 H new ATOM 965 N PRO A 59 -8.164 7.222 -1.453 1.00 0.00 N ATOM 966 CA PRO A 59 -7.914 6.864 -2.859 1.00 0.00 C ATOM 967 C PRO A 59 -8.662 5.610 -3.354 1.00 0.00 C ATOM 968 O PRO A 59 -9.207 5.617 -4.459 1.00 0.00 O ATOM 969 CB PRO A 59 -6.411 6.632 -2.849 1.00 0.00 C ATOM 970 CG PRO A 59 -5.906 7.677 -1.927 1.00 0.00 C ATOM 971 CD PRO A 59 -6.952 7.821 -0.859 1.00 0.00 C ATOM 0 HA PRO A 59 -8.270 7.635 -3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.162 5.631 -2.497 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.982 6.735 -3.846 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.946 7.389 -1.498 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.751 8.620 -2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.660 7.305 0.056 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.112 8.867 -0.597 1.00 0.00 H new