USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 276 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 22 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Set 2.1: A 4 THR OG1 : rot -117:sc= -0.0659 USER MOD Set 2.2: A 6 THR OG1 : rot 180:sc= -0.0803 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.637! C(o=-0.64!,f=-7.4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.0094) USER MOD Single : A 14 ASN : amide:sc= 0.0812 X(o=0.081,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.859 X(o=-0.86,f=-0.87) USER MOD Single : A 36 THR OG1 : rot -56:sc= 0.458 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.359 -24.815 -6.323 1.00 0.00 N ATOM 2 CA LYS A 1 -0.256 -23.924 -7.355 1.00 0.00 C ATOM 3 C LYS A 1 -1.079 -22.824 -6.679 1.00 0.00 C ATOM 4 O LYS A 1 -0.653 -21.690 -6.580 1.00 0.00 O ATOM 5 CB LYS A 1 -1.161 -24.830 -8.196 1.00 0.00 C ATOM 6 CG LYS A 1 -0.443 -25.206 -9.495 1.00 0.00 C ATOM 7 CD LYS A 1 0.012 -26.665 -9.426 1.00 0.00 C ATOM 8 CE LYS A 1 1.539 -26.727 -9.520 1.00 0.00 C ATOM 9 NZ LYS A 1 1.913 -28.006 -8.853 1.00 0.00 N ATOM 0 H1 LYS A 1 0.915 -25.558 -6.793 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.981 -24.254 -5.706 1.00 0.00 H new ATOM 0 H3 LYS A 1 -0.391 -25.253 -5.751 1.00 0.00 H new ATOM 0 HA LYS A 1 0.498 -23.431 -7.968 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -1.415 -25.729 -7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -2.097 -24.319 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -1.109 -25.062 -10.345 1.00 0.00 H new ATOM 0 HG3 LYS A 1 0.416 -24.553 -9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -0.325 -27.119 -8.494 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -0.437 -27.236 -10.239 1.00 0.00 H new ATOM 0 HE2 LYS A 1 1.872 -26.711 -10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 1 2.000 -25.873 -9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 2.946 -28.121 -8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 1.589 -27.990 -7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 1.465 -28.801 -9.351 1.00 0.00 H new ATOM 25 N CYS A 2 -2.254 -23.149 -6.214 1.00 0.00 N ATOM 26 CA CYS A 2 -3.104 -22.121 -5.546 1.00 0.00 C ATOM 27 C CYS A 2 -2.977 -22.229 -4.024 1.00 0.00 C ATOM 28 O CYS A 2 -3.536 -21.441 -3.288 1.00 0.00 O ATOM 29 CB CYS A 2 -4.533 -22.444 -5.982 1.00 0.00 C ATOM 30 SG CYS A 2 -5.631 -21.098 -5.477 1.00 0.00 S ATOM 0 H CYS A 2 -2.663 -24.082 -6.267 1.00 0.00 H new ATOM 0 HA CYS A 2 -2.809 -21.108 -5.818 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -4.574 -22.576 -7.063 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.859 -23.382 -5.533 1.00 0.00 H new ATOM 35 N ASN A 3 -2.251 -23.203 -3.549 1.00 0.00 N ATOM 36 CA ASN A 3 -2.095 -23.366 -2.074 1.00 0.00 C ATOM 37 C ASN A 3 -1.480 -22.106 -1.454 1.00 0.00 C ATOM 38 O ASN A 3 -1.590 -21.873 -0.267 1.00 0.00 O ATOM 39 CB ASN A 3 -1.155 -24.560 -1.909 1.00 0.00 C ATOM 40 CG ASN A 3 -1.785 -25.794 -2.558 1.00 0.00 C ATOM 41 OD1 ASN A 3 -2.462 -25.688 -3.561 1.00 0.00 O ATOM 42 ND2 ASN A 3 -1.590 -26.969 -2.025 1.00 0.00 N ATOM 0 H ASN A 3 -1.759 -23.893 -4.117 1.00 0.00 H new ATOM 0 HA ASN A 3 -3.051 -23.523 -1.575 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.191 -24.345 -2.370 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.968 -24.747 -0.852 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.006 -27.797 -2.451 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.022 -27.059 -1.183 1.00 0.00 H new ATOM 49 N THR A 4 -0.834 -21.293 -2.244 1.00 0.00 N ATOM 50 CA THR A 4 -0.215 -20.053 -1.692 1.00 0.00 C ATOM 51 C THR A 4 -1.300 -19.064 -1.250 1.00 0.00 C ATOM 52 O THR A 4 -2.465 -19.230 -1.549 1.00 0.00 O ATOM 53 CB THR A 4 0.603 -19.475 -2.847 1.00 0.00 C ATOM 54 OG1 THR A 4 1.116 -18.204 -2.472 1.00 0.00 O ATOM 55 CG2 THR A 4 -0.287 -19.324 -4.080 1.00 0.00 C ATOM 0 H THR A 4 -0.708 -21.433 -3.246 1.00 0.00 H new ATOM 0 HA THR A 4 0.400 -20.254 -0.815 1.00 0.00 H new ATOM 0 HB THR A 4 1.429 -20.147 -3.079 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.749 -17.515 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.298 -18.912 -4.902 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.680 -20.299 -4.367 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.115 -18.653 -3.851 1.00 0.00 H new ATOM 63 N ALA A 5 -0.922 -18.034 -0.538 1.00 0.00 N ATOM 64 CA ALA A 5 -1.930 -17.032 -0.072 1.00 0.00 C ATOM 65 C ALA A 5 -2.358 -16.129 -1.218 1.00 0.00 C ATOM 66 O ALA A 5 -3.513 -15.805 -1.369 1.00 0.00 O ATOM 67 CB ALA A 5 -1.207 -16.186 0.967 1.00 0.00 C ATOM 0 H ALA A 5 0.040 -17.842 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.820 -17.524 0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.886 -15.427 1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.870 -16.823 1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.346 -15.701 0.506 1.00 0.00 H new ATOM 73 N THR A 6 -1.423 -15.700 -2.007 1.00 0.00 N ATOM 74 CA THR A 6 -1.752 -14.784 -3.127 1.00 0.00 C ATOM 75 C THR A 6 -2.886 -15.358 -3.974 1.00 0.00 C ATOM 76 O THR A 6 -3.801 -14.651 -4.339 1.00 0.00 O ATOM 77 CB THR A 6 -0.451 -14.686 -3.913 1.00 0.00 C ATOM 78 OG1 THR A 6 -0.150 -15.952 -4.481 1.00 0.00 O ATOM 79 CG2 THR A 6 0.669 -14.273 -2.955 1.00 0.00 C ATOM 0 H THR A 6 -0.436 -15.946 -1.925 1.00 0.00 H new ATOM 0 HA THR A 6 -2.103 -13.807 -2.795 1.00 0.00 H new ATOM 0 HB THR A 6 -0.547 -13.949 -4.710 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.686 -15.892 -4.989 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.608 -14.199 -3.504 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.430 -13.306 -2.511 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.767 -15.020 -2.167 1.00 0.00 H new ATOM 87 N CYS A 7 -2.873 -16.626 -4.268 1.00 0.00 N ATOM 88 CA CYS A 7 -4.004 -17.181 -5.059 1.00 0.00 C ATOM 89 C CYS A 7 -5.302 -16.739 -4.383 1.00 0.00 C ATOM 90 O CYS A 7 -6.205 -16.220 -5.008 1.00 0.00 O ATOM 91 CB CYS A 7 -3.845 -18.700 -4.998 1.00 0.00 C ATOM 92 SG CYS A 7 -4.819 -19.456 -6.325 1.00 0.00 S ATOM 0 H CYS A 7 -2.146 -17.290 -4.002 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.020 -16.842 -6.095 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.795 -18.972 -5.102 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.177 -19.074 -4.029 1.00 0.00 H new ATOM 97 N ALA A 8 -5.375 -16.919 -3.092 1.00 0.00 N ATOM 98 CA ALA A 8 -6.580 -16.491 -2.325 1.00 0.00 C ATOM 99 C ALA A 8 -6.566 -14.983 -2.150 1.00 0.00 C ATOM 100 O ALA A 8 -7.500 -14.279 -2.465 1.00 0.00 O ATOM 101 CB ALA A 8 -6.377 -17.118 -0.955 1.00 0.00 C ATOM 0 H ALA A 8 -4.642 -17.350 -2.529 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.510 -16.778 -2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.217 -16.861 -0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.315 -18.202 -1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.453 -16.742 -0.516 1.00 0.00 H new ATOM 107 N THR A 9 -5.479 -14.516 -1.627 1.00 0.00 N ATOM 108 CA THR A 9 -5.282 -13.077 -1.364 1.00 0.00 C ATOM 109 C THR A 9 -5.442 -12.269 -2.656 1.00 0.00 C ATOM 110 O THR A 9 -5.626 -11.070 -2.647 1.00 0.00 O ATOM 111 CB THR A 9 -3.858 -13.027 -0.823 1.00 0.00 C ATOM 112 OG1 THR A 9 -3.869 -13.413 0.548 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.269 -11.617 -0.948 1.00 0.00 C ATOM 0 H THR A 9 -4.686 -15.099 -1.360 1.00 0.00 H new ATOM 0 HA THR A 9 -6.005 -12.646 -0.672 1.00 0.00 H new ATOM 0 HB THR A 9 -3.240 -13.710 -1.406 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.956 -13.385 0.903 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.253 -11.611 -0.554 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.254 -11.321 -1.997 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.881 -10.915 -0.382 1.00 0.00 H new ATOM 121 N GLN A 10 -5.366 -12.909 -3.775 1.00 0.00 N ATOM 122 CA GLN A 10 -5.506 -12.153 -5.040 1.00 0.00 C ATOM 123 C GLN A 10 -6.771 -11.298 -4.965 1.00 0.00 C ATOM 124 O GLN A 10 -6.832 -10.213 -5.507 1.00 0.00 O ATOM 125 CB GLN A 10 -5.629 -13.207 -6.138 1.00 0.00 C ATOM 126 CG GLN A 10 -5.420 -12.552 -7.504 1.00 0.00 C ATOM 127 CD GLN A 10 -4.004 -12.849 -8.000 1.00 0.00 C ATOM 128 OE1 GLN A 10 -3.800 -13.110 -9.169 1.00 0.00 O ATOM 129 NE2 GLN A 10 -3.010 -12.819 -7.154 1.00 0.00 N ATOM 0 H GLN A 10 -5.215 -13.913 -3.873 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.663 -11.488 -5.231 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.891 -13.994 -5.984 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.611 -13.678 -6.096 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.153 -12.930 -8.217 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.573 -11.475 -7.430 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.182 -12.600 -6.173 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.062 -13.015 -7.474 1.00 0.00 H new ATOM 138 N ARG A 11 -7.780 -11.774 -4.282 1.00 0.00 N ATOM 139 CA ARG A 11 -9.031 -10.973 -4.164 1.00 0.00 C ATOM 140 C ARG A 11 -8.910 -9.949 -3.024 1.00 0.00 C ATOM 141 O ARG A 11 -9.267 -8.801 -3.184 1.00 0.00 O ATOM 142 CB ARG A 11 -10.160 -11.979 -3.890 1.00 0.00 C ATOM 143 CG ARG A 11 -9.789 -12.923 -2.742 1.00 0.00 C ATOM 144 CD ARG A 11 -10.789 -12.747 -1.597 1.00 0.00 C ATOM 145 NE ARG A 11 -11.652 -13.962 -1.649 1.00 0.00 N ATOM 146 CZ ARG A 11 -12.495 -14.212 -0.682 1.00 0.00 C ATOM 147 NH1 ARG A 11 -12.587 -13.398 0.335 1.00 0.00 N ATOM 148 NH2 ARG A 11 -13.246 -15.278 -0.732 1.00 0.00 N ATOM 0 H ARG A 11 -7.791 -12.676 -3.805 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.229 -10.405 -5.073 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.077 -11.444 -3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.362 -12.558 -4.791 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.795 -13.956 -3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.779 -12.710 -2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.279 -12.665 -0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.378 -11.839 -1.723 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.584 -14.600 -2.442 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.000 -12.565 0.376 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.246 -13.595 1.088 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.175 -15.915 -1.525 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.904 -15.474 0.022 1.00 0.00 H new ATOM 162 N LEU A 12 -8.409 -10.342 -1.879 1.00 0.00 N ATOM 163 CA LEU A 12 -8.272 -9.366 -0.756 1.00 0.00 C ATOM 164 C LEU A 12 -7.122 -8.448 -1.010 1.00 0.00 C ATOM 165 O LEU A 12 -7.081 -7.351 -0.496 1.00 0.00 O ATOM 166 CB LEU A 12 -8.127 -10.205 0.533 1.00 0.00 C ATOM 167 CG LEU A 12 -6.687 -10.231 1.091 1.00 0.00 C ATOM 168 CD1 LEU A 12 -5.728 -10.673 0.020 1.00 0.00 C ATOM 169 CD2 LEU A 12 -6.245 -8.870 1.573 1.00 0.00 C ATOM 0 H LEU A 12 -8.091 -11.289 -1.675 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.139 -8.713 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.796 -9.805 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.448 -11.227 0.330 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.685 -10.926 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.715 -10.688 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.998 -11.673 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.775 -9.979 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.227 -8.933 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.277 -8.163 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.912 -8.531 2.366 1.00 0.00 H new ATOM 181 N ALA A 13 -6.201 -8.842 -1.817 1.00 0.00 N ATOM 182 CA ALA A 13 -5.086 -7.931 -2.103 1.00 0.00 C ATOM 183 C ALA A 13 -5.662 -6.553 -2.288 1.00 0.00 C ATOM 184 O ALA A 13 -5.153 -5.569 -1.807 1.00 0.00 O ATOM 185 CB ALA A 13 -4.531 -8.436 -3.414 1.00 0.00 C ATOM 0 H ALA A 13 -6.170 -9.746 -2.288 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.326 -7.893 -1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.687 -7.815 -3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.199 -9.467 -3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.306 -8.390 -4.179 1.00 0.00 H new ATOM 191 N ASN A 14 -6.780 -6.542 -2.934 1.00 0.00 N ATOM 192 CA ASN A 14 -7.538 -5.307 -3.183 1.00 0.00 C ATOM 193 C ASN A 14 -7.922 -4.650 -1.859 1.00 0.00 C ATOM 194 O ASN A 14 -7.746 -3.468 -1.645 1.00 0.00 O ATOM 195 CB ASN A 14 -8.792 -5.839 -3.859 1.00 0.00 C ATOM 196 CG ASN A 14 -8.510 -6.140 -5.326 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.602 -5.271 -6.171 1.00 0.00 O ATOM 198 ND2 ASN A 14 -8.171 -7.354 -5.662 1.00 0.00 N ATOM 0 H ASN A 14 -7.217 -7.381 -3.316 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.990 -4.564 -3.762 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.131 -6.743 -3.353 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.596 -5.108 -3.778 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.981 -7.579 -6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.096 -8.079 -4.948 1.00 0.00 H new ATOM 205 N PHE A 15 -8.451 -5.442 -0.980 1.00 0.00 N ATOM 206 CA PHE A 15 -8.884 -4.959 0.355 1.00 0.00 C ATOM 207 C PHE A 15 -7.729 -4.226 1.025 1.00 0.00 C ATOM 208 O PHE A 15 -7.904 -3.271 1.755 1.00 0.00 O ATOM 209 CB PHE A 15 -9.269 -6.282 1.057 1.00 0.00 C ATOM 210 CG PHE A 15 -8.746 -6.431 2.468 1.00 0.00 C ATOM 211 CD1 PHE A 15 -8.666 -5.357 3.349 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.385 -7.705 2.896 1.00 0.00 C ATOM 213 CE1 PHE A 15 -8.209 -5.567 4.655 1.00 0.00 C ATOM 214 CE2 PHE A 15 -7.936 -7.924 4.191 1.00 0.00 C ATOM 215 CZ PHE A 15 -7.845 -6.852 5.080 1.00 0.00 C ATOM 0 H PHE A 15 -8.607 -6.438 -1.136 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.705 -4.242 0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.356 -6.362 1.078 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.899 -7.115 0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.955 -4.367 3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.455 -8.536 2.210 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.136 -4.734 5.339 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.659 -8.918 4.509 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.496 -7.012 6.090 1.00 0.00 H new ATOM 225 N LEU A 16 -6.551 -4.679 0.778 1.00 0.00 N ATOM 226 CA LEU A 16 -5.356 -4.060 1.396 1.00 0.00 C ATOM 227 C LEU A 16 -4.728 -2.989 0.506 1.00 0.00 C ATOM 228 O LEU A 16 -4.471 -1.883 0.941 1.00 0.00 O ATOM 229 CB LEU A 16 -4.444 -5.259 1.523 1.00 0.00 C ATOM 230 CG LEU A 16 -5.058 -6.226 2.516 1.00 0.00 C ATOM 231 CD1 LEU A 16 -4.074 -7.356 2.817 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.416 -5.488 3.807 1.00 0.00 C ATOM 0 H LEU A 16 -6.354 -5.468 0.162 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.568 -3.540 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.315 -5.742 0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.454 -4.949 1.859 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.965 -6.650 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.521 -8.047 3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.838 -7.888 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.160 -6.939 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.857 -6.189 4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.515 -5.053 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.132 -4.696 3.587 1.00 0.00 H new ATOM 244 N VAL A 17 -4.472 -3.300 -0.726 1.00 0.00 N ATOM 245 CA VAL A 17 -3.854 -2.292 -1.623 1.00 0.00 C ATOM 246 C VAL A 17 -4.821 -1.127 -1.785 1.00 0.00 C ATOM 247 O VAL A 17 -4.431 0.022 -1.852 1.00 0.00 O ATOM 248 CB VAL A 17 -3.605 -3.038 -2.929 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.529 -4.098 -2.677 1.00 0.00 C ATOM 250 CG2 VAL A 17 -4.889 -3.731 -3.386 1.00 0.00 C ATOM 0 H VAL A 17 -4.663 -4.207 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.923 -1.869 -1.247 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.284 -2.338 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.334 -4.645 -3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.612 -3.613 -2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.874 -4.791 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.703 -4.262 -4.320 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.211 -4.440 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.669 -2.986 -3.541 1.00 0.00 H new ATOM 260 N ARG A 18 -6.085 -1.422 -1.806 1.00 0.00 N ATOM 261 CA ARG A 18 -7.104 -0.352 -1.913 1.00 0.00 C ATOM 262 C ARG A 18 -7.274 0.299 -0.538 1.00 0.00 C ATOM 263 O ARG A 18 -7.857 1.356 -0.401 1.00 0.00 O ATOM 264 CB ARG A 18 -8.370 -1.093 -2.330 1.00 0.00 C ATOM 265 CG ARG A 18 -9.354 -0.118 -2.979 1.00 0.00 C ATOM 266 CD ARG A 18 -10.000 -0.785 -4.196 1.00 0.00 C ATOM 267 NE ARG A 18 -11.348 -1.213 -3.728 1.00 0.00 N ATOM 268 CZ ARG A 18 -11.988 -2.169 -4.350 1.00 0.00 C ATOM 269 NH1 ARG A 18 -11.456 -2.747 -5.394 1.00 0.00 N ATOM 270 NH2 ARG A 18 -13.163 -2.545 -3.926 1.00 0.00 N ATOM 0 H ARG A 18 -6.459 -2.369 -1.753 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.848 0.439 -2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.121 -1.891 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.830 -1.563 -1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.120 0.175 -2.261 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.836 0.792 -3.281 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.074 -0.091 -5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.412 -1.636 -4.538 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.773 -0.759 -2.920 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.538 -2.453 -5.727 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.959 -3.492 -5.876 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.580 -2.094 -3.112 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.665 -3.290 -4.409 1.00 0.00 H new ATOM 284 N SER A 19 -6.761 -0.341 0.485 1.00 0.00 N ATOM 285 CA SER A 19 -6.874 0.211 1.863 1.00 0.00 C ATOM 286 C SER A 19 -6.115 1.538 1.972 1.00 0.00 C ATOM 287 O SER A 19 -6.464 2.405 2.748 1.00 0.00 O ATOM 288 CB SER A 19 -6.233 -0.847 2.759 1.00 0.00 C ATOM 289 OG SER A 19 -7.041 -1.036 3.912 1.00 0.00 O ATOM 0 H SER A 19 -6.265 -1.230 0.419 1.00 0.00 H new ATOM 0 HA SER A 19 -7.907 0.417 2.142 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.129 -1.786 2.216 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.230 -0.535 3.050 1.00 0.00 H new ATOM 0 HG SER A 19 -6.634 -1.716 4.489 1.00 0.00 H new ATOM 295 N SER A 20 -5.072 1.693 1.203 1.00 0.00 N ATOM 296 CA SER A 20 -4.275 2.953 1.258 1.00 0.00 C ATOM 297 C SER A 20 -5.194 4.177 1.318 1.00 0.00 C ATOM 298 O SER A 20 -4.858 5.185 1.907 1.00 0.00 O ATOM 299 CB SER A 20 -3.463 2.961 -0.036 1.00 0.00 C ATOM 300 OG SER A 20 -3.302 4.300 -0.482 1.00 0.00 O ATOM 0 H SER A 20 -4.736 0.999 0.536 1.00 0.00 H new ATOM 0 HA SER A 20 -3.642 2.995 2.145 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.489 2.501 0.130 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.968 2.370 -0.800 1.00 0.00 H new ATOM 0 HG SER A 20 -2.780 4.308 -1.311 1.00 0.00 H new ATOM 306 N ASN A 21 -6.346 4.103 0.711 1.00 0.00 N ATOM 307 CA ASN A 21 -7.274 5.270 0.736 1.00 0.00 C ATOM 308 C ASN A 21 -7.541 5.706 2.179 1.00 0.00 C ATOM 309 O ASN A 21 -7.516 6.879 2.498 1.00 0.00 O ATOM 310 CB ASN A 21 -8.561 4.772 0.078 1.00 0.00 C ATOM 311 CG ASN A 21 -8.920 5.683 -1.097 1.00 0.00 C ATOM 312 OD1 ASN A 21 -9.690 6.611 -0.949 1.00 0.00 O ATOM 313 ND2 ASN A 21 -8.388 5.458 -2.268 1.00 0.00 N ATOM 0 H ASN A 21 -6.685 3.288 0.200 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.861 6.134 0.216 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.431 3.747 -0.269 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.373 4.762 0.805 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.619 6.061 -3.057 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.741 4.679 -2.393 1.00 0.00 H new ATOM 320 N ASN A 22 -7.798 4.772 3.054 1.00 0.00 N ATOM 321 CA ASN A 22 -8.067 5.137 4.476 1.00 0.00 C ATOM 322 C ASN A 22 -6.830 5.789 5.097 1.00 0.00 C ATOM 323 O ASN A 22 -6.929 6.582 6.013 1.00 0.00 O ATOM 324 CB ASN A 22 -8.380 3.812 5.172 1.00 0.00 C ATOM 325 CG ASN A 22 -9.488 3.084 4.409 1.00 0.00 C ATOM 326 OD1 ASN A 22 -9.309 1.962 3.977 1.00 0.00 O ATOM 327 ND2 ASN A 22 -10.633 3.680 4.224 1.00 0.00 N ATOM 0 H ASN A 22 -7.834 3.774 2.847 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.885 5.851 4.572 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.485 3.191 5.215 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.691 3.994 6.201 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.379 3.205 3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.782 4.621 4.587 1.00 0.00 H new ATOM 334 N LEU A 23 -5.666 5.461 4.608 1.00 0.00 N ATOM 335 CA LEU A 23 -4.423 6.063 5.172 1.00 0.00 C ATOM 336 C LEU A 23 -4.121 7.396 4.483 1.00 0.00 C ATOM 337 O LEU A 23 -3.858 8.392 5.127 1.00 0.00 O ATOM 338 CB LEU A 23 -3.319 5.047 4.875 1.00 0.00 C ATOM 339 CG LEU A 23 -2.014 5.511 5.522 1.00 0.00 C ATOM 340 CD1 LEU A 23 -2.161 5.488 7.045 1.00 0.00 C ATOM 341 CD2 LEU A 23 -0.877 4.574 5.105 1.00 0.00 C ATOM 0 H LEU A 23 -5.521 4.803 3.843 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.513 6.268 6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.599 4.066 5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.187 4.942 3.798 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.788 6.526 5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.230 5.819 7.505 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.970 6.155 7.343 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.388 4.474 7.373 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.054 4.904 5.566 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.104 3.559 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.771 4.591 4.020 1.00 0.00 H new ATOM 353 N GLY A 24 -4.155 7.420 3.180 1.00 0.00 N ATOM 354 CA GLY A 24 -3.868 8.687 2.451 1.00 0.00 C ATOM 355 C GLY A 24 -2.468 9.183 2.816 1.00 0.00 C ATOM 356 O GLY A 24 -2.316 10.056 3.647 1.00 0.00 O ATOM 0 H GLY A 24 -4.369 6.617 2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.938 8.523 1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.611 9.442 2.708 1.00 0.00 H new ATOM 360 N PRO A 25 -1.488 8.607 2.176 1.00 0.00 N ATOM 361 CA PRO A 25 -0.080 8.998 2.433 1.00 0.00 C ATOM 362 C PRO A 25 0.109 10.487 2.149 1.00 0.00 C ATOM 363 O PRO A 25 0.889 11.159 2.795 1.00 0.00 O ATOM 364 CB PRO A 25 0.734 8.145 1.457 1.00 0.00 C ATOM 365 CG PRO A 25 -0.255 7.579 0.483 1.00 0.00 C ATOM 366 CD PRO A 25 -1.594 7.554 1.168 1.00 0.00 C ATOM 0 HA PRO A 25 0.224 8.838 3.467 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.486 8.746 0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.265 7.350 1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.297 8.188 -0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.039 6.575 0.177 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.406 7.751 0.468 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.793 6.583 1.622 1.00 0.00 H new ATOM 374 N VAL A 26 -0.605 11.010 1.194 1.00 0.00 N ATOM 375 CA VAL A 26 -0.471 12.457 0.877 1.00 0.00 C ATOM 376 C VAL A 26 -1.848 13.123 0.893 1.00 0.00 C ATOM 377 O VAL A 26 -2.180 13.910 0.028 1.00 0.00 O ATOM 378 CB VAL A 26 0.135 12.506 -0.525 1.00 0.00 C ATOM 379 CG1 VAL A 26 0.577 13.937 -0.839 1.00 0.00 C ATOM 380 CG2 VAL A 26 1.347 11.573 -0.588 1.00 0.00 C ATOM 0 H VAL A 26 -1.275 10.499 0.620 1.00 0.00 H new ATOM 0 HA VAL A 26 0.149 12.985 1.602 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.609 12.187 -1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.009 13.973 -1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.285 14.603 -0.792 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.322 14.256 -0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.781 11.607 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.091 11.893 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.034 10.554 -0.363 1.00 0.00 H new ATOM 390 N LEU A 27 -2.655 12.811 1.871 1.00 0.00 N ATOM 391 CA LEU A 27 -4.013 13.420 1.945 1.00 0.00 C ATOM 392 C LEU A 27 -3.937 14.929 1.693 1.00 0.00 C ATOM 393 O LEU A 27 -3.294 15.650 2.431 1.00 0.00 O ATOM 394 CB LEU A 27 -4.493 13.138 3.368 1.00 0.00 C ATOM 395 CG LEU A 27 -3.501 13.732 4.369 1.00 0.00 C ATOM 396 CD1 LEU A 27 -4.198 14.812 5.198 1.00 0.00 C ATOM 397 CD2 LEU A 27 -2.991 12.627 5.298 1.00 0.00 C ATOM 0 H LEU A 27 -2.431 12.159 2.623 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.689 13.010 1.195 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.482 13.569 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.585 12.063 3.526 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.661 14.172 3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.491 15.236 5.912 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.563 15.599 4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.038 14.372 5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.284 13.049 6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.831 12.188 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.495 11.856 4.708 1.00 0.00 H new ATOM 409 N PRO A 28 -4.605 15.358 0.656 1.00 0.00 N ATOM 410 CA PRO A 28 -4.622 16.792 0.299 1.00 0.00 C ATOM 411 C PRO A 28 -5.287 17.613 1.407 1.00 0.00 C ATOM 412 O PRO A 28 -4.850 18.708 1.700 1.00 0.00 O ATOM 413 CB PRO A 28 -5.446 16.853 -0.989 1.00 0.00 C ATOM 414 CG PRO A 28 -5.539 15.441 -1.475 1.00 0.00 C ATOM 415 CD PRO A 28 -5.395 14.554 -0.272 1.00 0.00 C ATOM 0 HA PRO A 28 -3.621 17.203 0.170 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.436 17.269 -0.802 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.967 17.492 -1.731 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.493 15.266 -1.972 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.757 15.232 -2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.365 14.291 0.151 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.892 13.620 -0.521 1.00 0.00 H new ATOM 423 N PRO A 29 -6.335 17.070 1.987 1.00 0.00 N ATOM 424 CA PRO A 29 -7.052 17.781 3.055 1.00 0.00 C ATOM 425 C PRO A 29 -6.087 18.498 4.006 1.00 0.00 C ATOM 426 O PRO A 29 -4.890 18.291 3.968 1.00 0.00 O ATOM 427 CB PRO A 29 -7.801 16.667 3.768 1.00 0.00 C ATOM 428 CG PRO A 29 -8.107 15.690 2.687 1.00 0.00 C ATOM 429 CD PRO A 29 -6.963 15.767 1.711 1.00 0.00 C ATOM 0 HA PRO A 29 -7.706 18.566 2.675 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.194 16.216 4.553 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.711 17.037 4.241 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.207 14.682 3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.051 15.933 2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -6.259 14.948 1.858 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.314 15.705 0.681 1.00 0.00 H new ATOM 437 N THR A 30 -6.608 19.339 4.862 1.00 0.00 N ATOM 438 CA THR A 30 -5.737 20.078 5.822 1.00 0.00 C ATOM 439 C THR A 30 -4.622 19.167 6.349 1.00 0.00 C ATOM 440 O THR A 30 -4.765 17.962 6.404 1.00 0.00 O ATOM 441 CB THR A 30 -6.672 20.503 6.958 1.00 0.00 C ATOM 442 OG1 THR A 30 -6.043 21.513 7.735 1.00 0.00 O ATOM 443 CG2 THR A 30 -6.991 19.299 7.846 1.00 0.00 C ATOM 0 H THR A 30 -7.604 19.546 4.937 1.00 0.00 H new ATOM 0 HA THR A 30 -5.245 20.932 5.357 1.00 0.00 H new ATOM 0 HB THR A 30 -7.599 20.891 6.535 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.641 21.787 8.461 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.656 19.608 8.652 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.477 18.526 7.250 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.067 18.904 8.269 1.00 0.00 H new ATOM 451 N ASN A 31 -3.513 19.738 6.731 1.00 0.00 N ATOM 452 CA ASN A 31 -2.383 18.911 7.247 1.00 0.00 C ATOM 453 C ASN A 31 -2.749 18.278 8.592 1.00 0.00 C ATOM 454 O ASN A 31 -3.854 18.421 9.080 1.00 0.00 O ATOM 455 CB ASN A 31 -1.223 19.892 7.419 1.00 0.00 C ATOM 456 CG ASN A 31 -0.592 20.181 6.056 1.00 0.00 C ATOM 457 OD1 ASN A 31 0.350 19.524 5.660 1.00 0.00 O ATOM 458 ND2 ASN A 31 -1.072 21.143 5.317 1.00 0.00 N ATOM 0 H ASN A 31 -3.339 20.743 6.708 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.134 18.092 6.572 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.580 20.818 7.870 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.477 19.475 8.096 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.656 21.343 4.407 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.863 21.695 5.649 1.00 0.00 H new ATOM 465 N VAL A 32 -1.827 17.577 9.195 1.00 0.00 N ATOM 466 CA VAL A 32 -2.113 16.932 10.509 1.00 0.00 C ATOM 467 C VAL A 32 -2.856 17.906 11.431 1.00 0.00 C ATOM 468 O VAL A 32 -3.695 17.510 12.216 1.00 0.00 O ATOM 469 CB VAL A 32 -0.736 16.586 11.084 1.00 0.00 C ATOM 470 CG1 VAL A 32 -0.844 16.364 12.595 1.00 0.00 C ATOM 471 CG2 VAL A 32 -0.217 15.307 10.423 1.00 0.00 C ATOM 0 H VAL A 32 -0.886 17.423 8.833 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.747 16.051 10.409 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.049 17.409 10.888 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.139 16.118 12.998 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.214 17.272 13.071 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.533 15.543 12.794 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.763 15.059 10.831 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.910 14.489 10.620 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.134 15.461 9.347 1.00 0.00 H new ATOM 481 N GLY A 33 -2.558 19.174 11.344 1.00 0.00 N ATOM 482 CA GLY A 33 -3.255 20.159 12.221 1.00 0.00 C ATOM 483 C GLY A 33 -2.711 21.568 11.962 1.00 0.00 C ATOM 484 O GLY A 33 -1.616 21.741 11.466 1.00 0.00 O ATOM 0 H GLY A 33 -1.866 19.569 10.707 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.328 20.134 12.030 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.112 19.892 13.268 1.00 0.00 H new ATOM 488 N SER A 34 -3.475 22.573 12.302 1.00 0.00 N ATOM 489 CA SER A 34 -3.020 23.978 12.088 1.00 0.00 C ATOM 490 C SER A 34 -4.147 24.947 12.458 1.00 0.00 C ATOM 491 O SER A 34 -5.238 24.870 11.931 1.00 0.00 O ATOM 492 CB SER A 34 -2.701 24.074 10.596 1.00 0.00 C ATOM 493 OG SER A 34 -2.498 25.437 10.247 1.00 0.00 O ATOM 0 H SER A 34 -4.400 22.480 12.721 1.00 0.00 H new ATOM 0 HA SER A 34 -2.156 24.233 12.702 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.810 23.491 10.364 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.518 23.654 10.010 1.00 0.00 H new ATOM 0 HG SER A 34 -2.292 25.503 9.291 1.00 0.00 H new ATOM 499 N ASN A 35 -3.899 25.854 13.364 1.00 0.00 N ATOM 500 CA ASN A 35 -4.971 26.814 13.763 1.00 0.00 C ATOM 501 C ASN A 35 -4.384 28.209 13.998 1.00 0.00 C ATOM 502 O ASN A 35 -4.725 28.881 14.952 1.00 0.00 O ATOM 503 CB ASN A 35 -5.553 26.256 15.069 1.00 0.00 C ATOM 504 CG ASN A 35 -5.593 24.725 15.018 1.00 0.00 C ATOM 505 OD1 ASN A 35 -4.700 24.067 15.515 1.00 0.00 O ATOM 506 ND2 ASN A 35 -6.597 24.128 14.437 1.00 0.00 N ATOM 0 H ASN A 35 -3.006 25.972 13.843 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.730 26.915 12.988 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.948 26.583 15.915 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.558 26.648 15.225 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.632 23.109 14.400 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.347 24.680 14.020 1.00 0.00 H new ATOM 513 N THR A 36 -3.506 28.652 13.138 1.00 0.00 N ATOM 514 CA THR A 36 -2.905 30.007 13.320 1.00 0.00 C ATOM 515 C THR A 36 -1.942 30.318 12.171 1.00 0.00 C ATOM 516 O THR A 36 -0.838 30.781 12.382 1.00 0.00 O ATOM 517 CB THR A 36 -2.146 29.929 14.646 1.00 0.00 C ATOM 518 OG1 THR A 36 -1.628 31.212 14.968 1.00 0.00 O ATOM 519 CG2 THR A 36 -0.996 28.930 14.520 1.00 0.00 C ATOM 0 H THR A 36 -3.179 28.137 12.320 1.00 0.00 H new ATOM 0 HA THR A 36 -3.659 30.795 13.326 1.00 0.00 H new ATOM 0 HB THR A 36 -2.823 29.601 15.434 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.065 31.532 14.232 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.456 28.875 15.465 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.394 27.946 14.272 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.316 29.255 13.732 1.00 0.00 H new ATOM 527 N TYR A 37 -2.350 30.068 10.957 1.00 0.00 N ATOM 528 CA TYR A 37 -1.457 30.350 9.797 1.00 0.00 C ATOM 529 C TYR A 37 -2.288 30.576 8.531 1.00 0.00 C ATOM 530 O TYR A 37 -3.058 29.725 8.132 1.00 0.00 O ATOM 531 CB TYR A 37 -0.591 29.099 9.653 1.00 0.00 C ATOM 532 CG TYR A 37 0.798 29.385 10.170 1.00 0.00 C ATOM 533 CD1 TYR A 37 1.755 29.960 9.325 1.00 0.00 C ATOM 534 CD2 TYR A 37 1.130 29.074 11.494 1.00 0.00 C ATOM 535 CE1 TYR A 37 3.043 30.224 9.806 1.00 0.00 C ATOM 536 CE2 TYR A 37 2.417 29.338 11.974 1.00 0.00 C ATOM 537 CZ TYR A 37 3.375 29.914 11.131 1.00 0.00 C ATOM 538 OH TYR A 37 4.644 30.175 11.604 1.00 0.00 O ATOM 0 H TYR A 37 -3.263 29.681 10.718 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.857 31.248 9.946 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.034 28.272 10.208 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.546 28.794 8.608 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.500 30.200 8.303 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.392 28.630 12.145 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.782 30.667 9.155 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.672 29.097 12.996 1.00 0.00 H new ATOM 0 HH TYR A 37 4.706 29.901 12.543 1.00 0.00 H new HETATM 548 N NH2 A 38 -2.163 31.697 7.876 1.00 0.00 N TER 551 NH2 A 38