USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 630 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 Set 1.1: A 55 THR OG1 : rot -70:sc= 0.232 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= -2.54! USER MOD Set 2.1: A 22 THR OG1 : rot -25:sc= 1.12 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.71 K(o=2.8,f=-6.8!) USER MOD Set 3.1: A 7 THR OG1 : rot -172:sc= 1.29 USER MOD Set 3.2: A 9 THR OG1 : rot -45:sc= 0.567 USER MOD Single : A 1 MET CE :methyl -148:sc= -0.552 (180deg=-2.19!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.54 K(o=-1.5,f=-0.66) USER MOD Single : A 6 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.397) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.031) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -91:sc= 0.095 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= -0.431! (180deg=-0.671!) USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= -0.0637 (180deg=-0.402) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 41 GLN : amide:sc= -6.74! C(o=-6.7!,f=-12!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.33 USER MOD Single : A 60 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.6) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 87:sc= 0.705 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.43! K(o=-1.4!,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.599 -20.172 -2.599 1.00 0.00 N ATOM 2 CA MET A 1 3.174 -19.063 -3.494 1.00 0.00 C ATOM 3 C MET A 1 3.862 -17.755 -3.115 1.00 0.00 C ATOM 4 O MET A 1 3.458 -17.082 -2.167 1.00 0.00 O ATOM 5 CB MET A 1 1.656 -18.909 -3.392 1.00 0.00 C ATOM 6 CG MET A 1 1.148 -17.557 -3.865 1.00 0.00 C ATOM 7 SD MET A 1 1.302 -17.344 -5.649 1.00 0.00 S ATOM 8 CE MET A 1 -0.209 -16.454 -6.015 1.00 0.00 C ATOM 0 H1 MET A 1 3.116 -21.049 -2.880 1.00 0.00 H new ATOM 0 H2 MET A 1 4.628 -20.304 -2.674 1.00 0.00 H new ATOM 0 H3 MET A 1 3.351 -19.939 -1.616 1.00 0.00 H new ATOM 0 HA MET A 1 3.460 -19.300 -4.519 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.179 -19.693 -3.981 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.353 -19.059 -2.356 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.102 -17.445 -3.578 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.703 -16.767 -3.359 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.558 -16.724 -7.012 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.971 -16.714 -5.281 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.018 -15.382 -5.976 1.00 0.00 H new ATOM 20 N GLN A 2 4.904 -17.402 -3.862 1.00 0.00 N ATOM 21 CA GLN A 2 5.649 -16.175 -3.605 1.00 0.00 C ATOM 22 C GLN A 2 4.984 -14.982 -4.283 1.00 0.00 C ATOM 23 O GLN A 2 4.245 -15.140 -5.254 1.00 0.00 O ATOM 24 CB GLN A 2 7.091 -16.316 -4.096 1.00 0.00 C ATOM 25 CG GLN A 2 8.103 -15.582 -3.233 1.00 0.00 C ATOM 26 CD GLN A 2 8.843 -16.507 -2.288 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.658 -17.326 -2.713 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.562 -16.381 -0.996 1.00 0.00 N ATOM 0 H GLN A 2 5.251 -17.949 -4.650 1.00 0.00 H new ATOM 0 HA GLN A 2 5.654 -16.002 -2.529 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.353 -17.374 -4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.156 -15.940 -5.117 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.822 -15.074 -3.875 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.592 -14.812 -2.655 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.879 -15.689 -0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.029 -16.977 -0.312 1.00 0.00 H new ATOM 37 N LEU A 3 5.253 -13.787 -3.766 1.00 0.00 N ATOM 38 CA LEU A 3 4.681 -12.567 -4.322 1.00 0.00 C ATOM 39 C LEU A 3 5.711 -11.442 -4.334 1.00 0.00 C ATOM 40 O LEU A 3 6.238 -11.058 -3.290 1.00 0.00 O ATOM 41 CB LEU A 3 3.452 -12.141 -3.518 1.00 0.00 C ATOM 42 CG LEU A 3 2.487 -13.273 -3.162 1.00 0.00 C ATOM 43 CD1 LEU A 3 1.733 -12.949 -1.883 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.518 -13.526 -4.307 1.00 0.00 C ATOM 0 H LEU A 3 5.864 -13.638 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 3 4.379 -12.772 -5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.787 -11.666 -2.596 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.909 -11.386 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 3 3.067 -14.181 -2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.051 -13.766 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.442 -12.819 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.164 -12.029 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.839 -14.334 -4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.944 -12.621 -4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.076 -13.804 -5.201 1.00 0.00 H new ATOM 56 N PHE A 4 5.994 -10.919 -5.521 1.00 0.00 N ATOM 57 CA PHE A 4 6.960 -9.837 -5.670 1.00 0.00 C ATOM 58 C PHE A 4 6.266 -8.480 -5.653 1.00 0.00 C ATOM 59 O PHE A 4 5.616 -8.091 -6.624 1.00 0.00 O ATOM 60 CB PHE A 4 7.748 -10.004 -6.971 1.00 0.00 C ATOM 61 CG PHE A 4 8.834 -11.038 -6.888 1.00 0.00 C ATOM 62 CD1 PHE A 4 8.650 -12.200 -6.146 1.00 0.00 C ATOM 63 CD2 PHE A 4 10.041 -10.851 -7.553 1.00 0.00 C ATOM 64 CE1 PHE A 4 9.652 -13.155 -6.069 1.00 0.00 C ATOM 65 CE2 PHE A 4 11.045 -11.803 -7.479 1.00 0.00 C ATOM 66 CZ PHE A 4 10.850 -12.957 -6.735 1.00 0.00 C ATOM 0 H PHE A 4 5.568 -11.227 -6.395 1.00 0.00 H new ATOM 0 HA PHE A 4 7.650 -9.882 -4.827 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.059 -10.276 -7.771 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.190 -9.046 -7.244 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.718 -12.360 -5.625 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.197 -9.954 -8.134 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.498 -14.053 -5.490 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.978 -11.647 -8.000 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.631 -13.700 -6.675 1.00 0.00 H new ATOM 76 N VAL A 5 6.407 -7.762 -4.543 1.00 0.00 N ATOM 77 CA VAL A 5 5.792 -6.448 -4.400 1.00 0.00 C ATOM 78 C VAL A 5 6.813 -5.338 -4.623 1.00 0.00 C ATOM 79 O VAL A 5 7.632 -5.049 -3.750 1.00 0.00 O ATOM 80 CB VAL A 5 5.156 -6.273 -3.009 1.00 0.00 C ATOM 81 CG1 VAL A 5 4.726 -4.830 -2.794 1.00 0.00 C ATOM 82 CG2 VAL A 5 3.977 -7.220 -2.839 1.00 0.00 C ATOM 0 H VAL A 5 6.942 -8.068 -3.730 1.00 0.00 H new ATOM 0 HA VAL A 5 5.012 -6.379 -5.158 1.00 0.00 H new ATOM 0 HB VAL A 5 5.903 -6.520 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.279 -4.727 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.595 -4.176 -2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.995 -4.551 -3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.540 -7.083 -1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.227 -7.007 -3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.319 -8.250 -2.945 1.00 0.00 H new ATOM 92 N LYS A 6 6.758 -4.717 -5.798 1.00 0.00 N ATOM 93 CA LYS A 6 7.678 -3.637 -6.136 1.00 0.00 C ATOM 94 C LYS A 6 7.008 -2.277 -5.966 1.00 0.00 C ATOM 95 O LYS A 6 5.798 -2.142 -6.153 1.00 0.00 O ATOM 96 CB LYS A 6 8.177 -3.797 -7.573 1.00 0.00 C ATOM 97 CG LYS A 6 7.200 -3.282 -8.617 1.00 0.00 C ATOM 98 CD LYS A 6 7.457 -3.907 -9.977 1.00 0.00 C ATOM 99 CE LYS A 6 8.474 -3.108 -10.774 1.00 0.00 C ATOM 100 NZ LYS A 6 9.872 -3.467 -10.410 1.00 0.00 N ATOM 0 H LYS A 6 6.086 -4.944 -6.531 1.00 0.00 H new ATOM 0 HA LYS A 6 8.527 -3.690 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.124 -3.268 -7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.378 -4.851 -7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.180 -3.501 -8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.284 -2.198 -8.692 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.816 -4.928 -9.847 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.522 -3.966 -10.534 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.320 -3.284 -11.839 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.316 -2.044 -10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.509 -3.222 -11.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.155 -2.942 -9.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.930 -4.488 -10.222 1.00 0.00 H new ATOM 114 N THR A 7 7.802 -1.272 -5.612 1.00 0.00 N ATOM 115 CA THR A 7 7.285 0.077 -5.417 1.00 0.00 C ATOM 116 C THR A 7 7.875 1.040 -6.442 1.00 0.00 C ATOM 117 O THR A 7 8.498 0.618 -7.417 1.00 0.00 O ATOM 118 CB THR A 7 7.600 0.566 -4.002 1.00 0.00 C ATOM 119 OG1 THR A 7 8.967 0.917 -3.885 1.00 0.00 O ATOM 120 CG2 THR A 7 7.297 -0.462 -2.933 1.00 0.00 C ATOM 0 H THR A 7 8.805 -1.366 -5.454 1.00 0.00 H new ATOM 0 HA THR A 7 6.204 0.048 -5.553 1.00 0.00 H new ATOM 0 HB THR A 7 6.956 1.431 -3.845 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.177 1.106 -2.947 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.543 -0.052 -1.954 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.238 -0.718 -2.964 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.892 -1.358 -3.111 1.00 0.00 H new ATOM 128 N LEU A 8 7.675 2.334 -6.216 1.00 0.00 N ATOM 129 CA LEU A 8 8.187 3.357 -7.121 1.00 0.00 C ATOM 130 C LEU A 8 9.684 3.572 -6.916 1.00 0.00 C ATOM 131 O LEU A 8 10.292 4.425 -7.561 1.00 0.00 O ATOM 132 CB LEU A 8 7.440 4.675 -6.910 1.00 0.00 C ATOM 133 CG LEU A 8 5.931 4.610 -7.158 1.00 0.00 C ATOM 134 CD1 LEU A 8 5.302 5.984 -6.981 1.00 0.00 C ATOM 135 CD2 LEU A 8 5.642 4.064 -8.547 1.00 0.00 C ATOM 0 H LEU A 8 7.162 2.699 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 8 8.025 3.012 -8.142 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.611 5.012 -5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.869 5.428 -7.570 1.00 0.00 H new ATOM 0 HG LEU A 8 5.490 3.934 -6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.229 5.919 -7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.479 6.337 -5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.747 6.682 -7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.564 4.025 -8.706 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.096 4.714 -9.295 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.059 3.061 -8.638 1.00 0.00 H new ATOM 147 N THR A 9 10.274 2.793 -6.013 1.00 0.00 N ATOM 148 CA THR A 9 11.700 2.903 -5.726 1.00 0.00 C ATOM 149 C THR A 9 12.488 1.808 -6.441 1.00 0.00 C ATOM 150 O THR A 9 13.717 1.783 -6.392 1.00 0.00 O ATOM 151 CB THR A 9 11.946 2.822 -4.219 1.00 0.00 C ATOM 152 OG1 THR A 9 11.412 1.624 -3.686 1.00 0.00 O ATOM 153 CG2 THR A 9 11.339 3.977 -3.452 1.00 0.00 C ATOM 0 H THR A 9 9.787 2.081 -5.469 1.00 0.00 H new ATOM 0 HA THR A 9 12.044 3.870 -6.093 1.00 0.00 H new ATOM 0 HB THR A 9 13.029 2.857 -4.101 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.512 1.479 -4.046 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.550 3.859 -2.389 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.769 4.914 -3.805 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.260 3.991 -3.609 1.00 0.00 H new ATOM 161 N GLY A 10 11.773 0.904 -7.104 1.00 0.00 N ATOM 162 CA GLY A 10 12.426 -0.179 -7.818 1.00 0.00 C ATOM 163 C GLY A 10 12.659 -1.394 -6.941 1.00 0.00 C ATOM 164 O GLY A 10 12.923 -2.488 -7.442 1.00 0.00 O ATOM 0 H GLY A 10 10.755 0.902 -7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.816 -0.465 -8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.381 0.172 -8.209 1.00 0.00 H new ATOM 168 N LYS A 11 12.564 -1.203 -5.630 1.00 0.00 N ATOM 169 CA LYS A 11 12.767 -2.292 -4.681 1.00 0.00 C ATOM 170 C LYS A 11 11.692 -3.362 -4.842 1.00 0.00 C ATOM 171 O LYS A 11 10.509 -3.052 -4.979 1.00 0.00 O ATOM 172 CB LYS A 11 12.759 -1.755 -3.249 1.00 0.00 C ATOM 173 CG LYS A 11 13.372 -2.710 -2.238 1.00 0.00 C ATOM 174 CD LYS A 11 12.456 -2.924 -1.046 1.00 0.00 C ATOM 175 CE LYS A 11 13.245 -3.061 0.246 1.00 0.00 C ATOM 176 NZ LYS A 11 14.164 -4.231 0.214 1.00 0.00 N ATOM 0 H LYS A 11 12.348 -0.304 -5.200 1.00 0.00 H new ATOM 0 HA LYS A 11 13.737 -2.745 -4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.303 -0.811 -3.221 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.731 -1.540 -2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.576 -3.667 -2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.329 -2.315 -1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.763 -2.087 -0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.856 -3.820 -1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.821 -2.152 0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.555 -3.164 1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.608 -4.350 1.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.626 -5.088 -0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.901 -4.074 -0.502 1.00 0.00 H new ATOM 190 N THR A 12 12.112 -4.623 -4.824 1.00 0.00 N ATOM 191 CA THR A 12 11.184 -5.739 -4.966 1.00 0.00 C ATOM 192 C THR A 12 11.114 -6.557 -3.681 1.00 0.00 C ATOM 193 O THR A 12 12.126 -7.069 -3.203 1.00 0.00 O ATOM 194 CB THR A 12 11.605 -6.634 -6.133 1.00 0.00 C ATOM 195 OG1 THR A 12 12.209 -5.869 -7.160 1.00 0.00 O ATOM 196 CG2 THR A 12 10.452 -7.398 -6.747 1.00 0.00 C ATOM 0 H THR A 12 13.088 -4.897 -4.713 1.00 0.00 H new ATOM 0 HA THR A 12 10.194 -5.331 -5.169 1.00 0.00 H new ATOM 0 HB THR A 12 12.309 -7.350 -5.708 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.473 -6.460 -7.896 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.819 -8.013 -7.569 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.996 -8.037 -5.991 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.709 -6.695 -7.124 1.00 0.00 H new ATOM 204 N LEU A 13 9.912 -6.677 -3.126 1.00 0.00 N ATOM 205 CA LEU A 13 9.709 -7.433 -1.896 1.00 0.00 C ATOM 206 C LEU A 13 9.192 -8.836 -2.197 1.00 0.00 C ATOM 207 O LEU A 13 8.234 -9.007 -2.952 1.00 0.00 O ATOM 208 CB LEU A 13 8.724 -6.701 -0.981 1.00 0.00 C ATOM 209 CG LEU A 13 9.213 -6.484 0.453 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.081 -5.971 1.330 1.00 0.00 C ATOM 211 CD2 LEU A 13 9.790 -7.772 1.019 1.00 0.00 C ATOM 0 H LEU A 13 9.064 -6.260 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 13 10.671 -7.521 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.494 -5.731 -1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.792 -7.265 -0.950 1.00 0.00 H new ATOM 0 HG LEU A 13 10.002 -5.732 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.447 -5.822 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.715 -5.024 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.270 -6.699 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.133 -7.600 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.022 -8.545 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.630 -8.096 0.404 1.00 0.00 H new ATOM 223 N THR A 14 9.834 -9.837 -1.603 1.00 0.00 N ATOM 224 CA THR A 14 9.439 -11.226 -1.806 1.00 0.00 C ATOM 225 C THR A 14 8.800 -11.799 -0.545 1.00 0.00 C ATOM 226 O THR A 14 9.492 -12.134 0.416 1.00 0.00 O ATOM 227 CB THR A 14 10.650 -12.069 -2.207 1.00 0.00 C ATOM 228 OG1 THR A 14 11.283 -11.524 -3.352 1.00 0.00 O ATOM 229 CG2 THR A 14 10.301 -13.508 -2.518 1.00 0.00 C ATOM 0 H THR A 14 10.630 -9.712 -0.977 1.00 0.00 H new ATOM 0 HA THR A 14 8.703 -11.255 -2.610 1.00 0.00 H new ATOM 0 HB THR A 14 11.313 -12.051 -1.342 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.906 -11.932 -4.159 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.205 -14.050 -2.795 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.855 -13.972 -1.639 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.591 -13.540 -3.345 1.00 0.00 H new ATOM 237 N VAL A 15 7.475 -11.907 -0.556 1.00 0.00 N ATOM 238 CA VAL A 15 6.742 -12.438 0.586 1.00 0.00 C ATOM 239 C VAL A 15 6.096 -13.778 0.252 1.00 0.00 C ATOM 240 O VAL A 15 5.747 -14.040 -0.899 1.00 0.00 O ATOM 241 CB VAL A 15 5.649 -11.459 1.056 1.00 0.00 C ATOM 242 CG1 VAL A 15 6.273 -10.224 1.687 1.00 0.00 C ATOM 243 CG2 VAL A 15 4.743 -11.075 -0.104 1.00 0.00 C ATOM 0 H VAL A 15 6.888 -11.634 -1.344 1.00 0.00 H new ATOM 0 HA VAL A 15 7.467 -12.577 1.388 1.00 0.00 H new ATOM 0 HB VAL A 15 5.042 -11.956 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.485 -9.544 2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.876 -10.519 2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.906 -9.722 0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.977 -10.383 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.334 -10.597 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.267 -11.970 -0.506 1.00 0.00 H new ATOM 253 N GLU A 16 5.939 -14.623 1.266 1.00 0.00 N ATOM 254 CA GLU A 16 5.334 -15.937 1.079 1.00 0.00 C ATOM 255 C GLU A 16 3.883 -15.939 1.549 1.00 0.00 C ATOM 256 O GLU A 16 3.609 -15.902 2.750 1.00 0.00 O ATOM 257 CB GLU A 16 6.129 -17.002 1.837 1.00 0.00 C ATOM 258 CG GLU A 16 6.651 -18.117 0.947 1.00 0.00 C ATOM 259 CD GLU A 16 5.635 -19.223 0.740 1.00 0.00 C ATOM 260 OE1 GLU A 16 4.428 -18.912 0.650 1.00 0.00 O ATOM 261 OE2 GLU A 16 6.045 -20.401 0.668 1.00 0.00 O ATOM 0 H GLU A 16 6.222 -14.421 2.225 1.00 0.00 H new ATOM 0 HA GLU A 16 5.353 -16.169 0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.970 -16.526 2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.496 -17.433 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.933 -17.702 -0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.554 -18.537 1.389 1.00 0.00 H new ATOM 268 N LEU A 17 2.958 -15.981 0.597 1.00 0.00 N ATOM 269 CA LEU A 17 1.535 -15.988 0.914 1.00 0.00 C ATOM 270 C LEU A 17 0.780 -16.948 0.003 1.00 0.00 C ATOM 271 O LEU A 17 1.110 -17.092 -1.175 1.00 0.00 O ATOM 272 CB LEU A 17 0.952 -14.580 0.781 1.00 0.00 C ATOM 273 CG LEU A 17 0.230 -14.058 2.025 1.00 0.00 C ATOM 274 CD1 LEU A 17 1.197 -13.936 3.191 1.00 0.00 C ATOM 275 CD2 LEU A 17 -0.432 -12.719 1.733 1.00 0.00 C ATOM 0 H LEU A 17 3.168 -16.011 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 17 1.421 -16.325 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.759 -13.891 0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.254 -14.570 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.547 -14.772 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.666 -13.563 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.623 -14.914 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.997 -13.243 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.941 -12.362 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.327 -11.996 1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.156 -12.839 0.927 1.00 0.00 H new ATOM 287 N GLU A 18 -0.236 -17.600 0.556 1.00 0.00 N ATOM 288 CA GLU A 18 -1.041 -18.545 -0.205 1.00 0.00 C ATOM 289 C GLU A 18 -2.233 -17.844 -0.850 1.00 0.00 C ATOM 290 O GLU A 18 -2.705 -16.820 -0.357 1.00 0.00 O ATOM 291 CB GLU A 18 -1.528 -19.672 0.707 1.00 0.00 C ATOM 292 CG GLU A 18 -0.477 -20.728 0.981 1.00 0.00 C ATOM 293 CD GLU A 18 -0.137 -20.843 2.455 1.00 0.00 C ATOM 294 OE1 GLU A 18 -1.070 -20.813 3.283 1.00 0.00 O ATOM 295 OE2 GLU A 18 1.063 -20.963 2.778 1.00 0.00 O ATOM 0 H GLU A 18 -0.521 -17.491 1.529 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.420 -18.967 -0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.857 -19.245 1.654 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.397 -20.146 0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.832 -21.692 0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.427 -20.490 0.421 1.00 0.00 H new ATOM 302 N PRO A 19 -2.732 -18.392 -1.968 1.00 0.00 N ATOM 303 CA PRO A 19 -3.874 -17.820 -2.686 1.00 0.00 C ATOM 304 C PRO A 19 -5.075 -17.595 -1.775 1.00 0.00 C ATOM 305 O PRO A 19 -5.803 -16.612 -1.921 1.00 0.00 O ATOM 306 CB PRO A 19 -4.196 -18.877 -3.745 1.00 0.00 C ATOM 307 CG PRO A 19 -2.916 -19.611 -3.950 1.00 0.00 C ATOM 308 CD PRO A 19 -2.223 -19.612 -2.615 1.00 0.00 C ATOM 0 HA PRO A 19 -3.644 -16.839 -3.102 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -4.987 -19.547 -3.408 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.541 -18.417 -4.671 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.100 -20.628 -4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.303 -19.123 -4.708 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.464 -20.504 -2.037 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.139 -19.587 -2.725 1.00 0.00 H new ATOM 316 N SER A 20 -5.276 -18.512 -0.835 1.00 0.00 N ATOM 317 CA SER A 20 -6.388 -18.414 0.103 1.00 0.00 C ATOM 318 C SER A 20 -6.330 -17.102 0.880 1.00 0.00 C ATOM 319 O SER A 20 -7.363 -16.513 1.198 1.00 0.00 O ATOM 320 CB SER A 20 -6.370 -19.596 1.072 1.00 0.00 C ATOM 321 OG SER A 20 -5.119 -19.699 1.730 1.00 0.00 O ATOM 0 H SER A 20 -4.683 -19.332 -0.702 1.00 0.00 H new ATOM 0 HA SER A 20 -7.316 -18.436 -0.468 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.163 -19.477 1.810 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.575 -20.518 0.529 1.00 0.00 H new ATOM 0 HG SER A 20 -5.135 -20.462 2.345 1.00 0.00 H new ATOM 327 N ASP A 21 -5.117 -16.652 1.180 1.00 0.00 N ATOM 328 CA ASP A 21 -4.924 -15.409 1.919 1.00 0.00 C ATOM 329 C ASP A 21 -5.651 -14.254 1.235 1.00 0.00 C ATOM 330 O ASP A 21 -5.862 -14.272 0.023 1.00 0.00 O ATOM 331 CB ASP A 21 -3.434 -15.088 2.040 1.00 0.00 C ATOM 332 CG ASP A 21 -2.754 -15.901 3.126 1.00 0.00 C ATOM 333 OD1 ASP A 21 -3.169 -15.790 4.298 1.00 0.00 O ATOM 334 OD2 ASP A 21 -1.807 -16.649 2.803 1.00 0.00 O ATOM 0 H ASP A 21 -4.253 -17.129 0.923 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.341 -15.540 2.917 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.945 -15.281 1.085 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.310 -14.026 2.253 1.00 0.00 H new ATOM 339 N THR A 22 -6.030 -13.252 2.022 1.00 0.00 N ATOM 340 CA THR A 22 -6.734 -12.091 1.491 1.00 0.00 C ATOM 341 C THR A 22 -5.828 -10.864 1.482 1.00 0.00 C ATOM 342 O THR A 22 -4.804 -10.830 2.165 1.00 0.00 O ATOM 343 CB THR A 22 -7.988 -11.806 2.319 1.00 0.00 C ATOM 344 OG1 THR A 22 -7.641 -11.346 3.613 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.882 -13.016 2.486 1.00 0.00 C ATOM 0 H THR A 22 -5.862 -13.221 3.028 1.00 0.00 H new ATOM 0 HA THR A 22 -7.027 -12.313 0.465 1.00 0.00 H new ATOM 0 HB THR A 22 -8.535 -11.044 1.763 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.746 -11.671 3.847 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.753 -12.745 3.083 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.208 -13.366 1.506 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.330 -13.810 2.989 1.00 0.00 H new ATOM 353 N VAL A 23 -6.215 -9.856 0.706 1.00 0.00 N ATOM 354 CA VAL A 23 -5.439 -8.626 0.612 1.00 0.00 C ATOM 355 C VAL A 23 -5.107 -8.083 1.996 1.00 0.00 C ATOM 356 O VAL A 23 -4.073 -7.444 2.193 1.00 0.00 O ATOM 357 CB VAL A 23 -6.192 -7.545 -0.186 1.00 0.00 C ATOM 358 CG1 VAL A 23 -5.369 -6.268 -0.264 1.00 0.00 C ATOM 359 CG2 VAL A 23 -6.537 -8.052 -1.577 1.00 0.00 C ATOM 0 H VAL A 23 -7.060 -9.867 0.135 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.515 -8.872 0.089 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.123 -7.318 0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.917 -5.516 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.179 -5.896 0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.421 -6.476 -0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.069 -7.275 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.621 -8.309 -2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.170 -8.936 -1.496 1.00 0.00 H new ATOM 369 N GLU A 24 -5.989 -8.346 2.955 1.00 0.00 N ATOM 370 CA GLU A 24 -5.790 -7.887 4.324 1.00 0.00 C ATOM 371 C GLU A 24 -4.538 -8.517 4.924 1.00 0.00 C ATOM 372 O GLU A 24 -3.687 -7.822 5.482 1.00 0.00 O ATOM 373 CB GLU A 24 -7.010 -8.228 5.181 1.00 0.00 C ATOM 374 CG GLU A 24 -7.015 -7.531 6.533 1.00 0.00 C ATOM 375 CD GLU A 24 -6.865 -8.500 7.690 1.00 0.00 C ATOM 376 OE1 GLU A 24 -7.876 -9.122 8.078 1.00 0.00 O ATOM 377 OE2 GLU A 24 -5.737 -8.637 8.207 1.00 0.00 O ATOM 0 H GLU A 24 -6.849 -8.875 2.809 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.661 -6.805 4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.914 -7.955 4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.045 -9.306 5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.204 -6.804 6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.946 -6.975 6.648 1.00 0.00 H new ATOM 384 N ASN A 25 -4.430 -9.836 4.804 1.00 0.00 N ATOM 385 CA ASN A 25 -3.279 -10.558 5.333 1.00 0.00 C ATOM 386 C ASN A 25 -1.989 -10.051 4.697 1.00 0.00 C ATOM 387 O ASN A 25 -1.047 -9.675 5.395 1.00 0.00 O ATOM 388 CB ASN A 25 -3.432 -12.059 5.081 1.00 0.00 C ATOM 389 CG ASN A 25 -4.773 -12.590 5.548 1.00 0.00 C ATOM 390 OD1 ASN A 25 -5.777 -12.480 4.846 1.00 0.00 O ATOM 391 ND2 ASN A 25 -4.796 -13.171 6.743 1.00 0.00 N ATOM 0 H ASN A 25 -5.125 -10.426 4.346 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.229 -10.383 6.408 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.316 -12.259 4.016 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.633 -12.594 5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.670 -13.547 7.111 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.940 -13.241 7.293 1.00 0.00 H new ATOM 398 N LEU A 26 -1.955 -10.039 3.368 1.00 0.00 N ATOM 399 CA LEU A 26 -0.782 -9.571 2.640 1.00 0.00 C ATOM 400 C LEU A 26 -0.294 -8.243 3.209 1.00 0.00 C ATOM 401 O LEU A 26 0.882 -8.094 3.548 1.00 0.00 O ATOM 402 CB LEU A 26 -1.106 -9.417 1.153 1.00 0.00 C ATOM 403 CG LEU A 26 -0.031 -8.711 0.325 1.00 0.00 C ATOM 404 CD1 LEU A 26 1.349 -9.242 0.678 1.00 0.00 C ATOM 405 CD2 LEU A 26 -0.308 -8.886 -1.161 1.00 0.00 C ATOM 0 H LEU A 26 -2.725 -10.348 2.775 1.00 0.00 H new ATOM 0 HA LEU A 26 0.010 -10.311 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.277 -10.407 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.040 -8.863 1.056 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.057 -7.647 0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.101 -8.728 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.546 -9.068 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.391 -10.312 0.473 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.465 -8.378 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.307 -9.947 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.281 -8.458 -1.403 1.00 0.00 H new ATOM 417 N LYS A 27 -1.207 -7.284 3.318 1.00 0.00 N ATOM 418 CA LYS A 27 -0.872 -5.972 3.853 1.00 0.00 C ATOM 419 C LYS A 27 -0.222 -6.105 5.225 1.00 0.00 C ATOM 420 O LYS A 27 0.871 -5.588 5.459 1.00 0.00 O ATOM 421 CB LYS A 27 -2.126 -5.100 3.948 1.00 0.00 C ATOM 422 CG LYS A 27 -2.885 -4.982 2.636 1.00 0.00 C ATOM 423 CD LYS A 27 -2.772 -3.583 2.051 1.00 0.00 C ATOM 424 CE LYS A 27 -3.815 -3.346 0.970 1.00 0.00 C ATOM 425 NZ LYS A 27 -4.057 -1.896 0.741 1.00 0.00 N ATOM 0 H LYS A 27 -2.183 -7.392 3.043 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.163 -5.496 3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.790 -5.514 4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.841 -4.103 4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.496 -5.708 1.923 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.935 -5.226 2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.894 -2.845 2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.775 -3.441 1.634 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.486 -3.810 0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.749 -3.829 1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.876 -1.776 0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.247 -1.428 1.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.217 -1.469 0.301 1.00 0.00 H new ATOM 439 N ALA A 28 -0.899 -6.805 6.129 1.00 0.00 N ATOM 440 CA ALA A 28 -0.382 -7.009 7.475 1.00 0.00 C ATOM 441 C ALA A 28 1.116 -7.285 7.440 1.00 0.00 C ATOM 442 O ALA A 28 1.896 -6.620 8.121 1.00 0.00 O ATOM 443 CB ALA A 28 -1.119 -8.153 8.158 1.00 0.00 C ATOM 0 H ALA A 28 -1.805 -7.239 5.954 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.548 -6.097 8.049 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.721 -8.293 9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.181 -7.917 8.218 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.982 -9.069 7.583 1.00 0.00 H new ATOM 449 N LYS A 29 1.512 -8.266 6.634 1.00 0.00 N ATOM 450 CA LYS A 29 2.919 -8.621 6.504 1.00 0.00 C ATOM 451 C LYS A 29 3.741 -7.403 6.101 1.00 0.00 C ATOM 452 O LYS A 29 4.817 -7.156 6.645 1.00 0.00 O ATOM 453 CB LYS A 29 3.096 -9.736 5.471 1.00 0.00 C ATOM 454 CG LYS A 29 3.025 -11.133 6.064 1.00 0.00 C ATOM 455 CD LYS A 29 1.611 -11.689 6.017 1.00 0.00 C ATOM 456 CE LYS A 29 1.565 -13.131 6.494 1.00 0.00 C ATOM 457 NZ LYS A 29 0.167 -13.621 6.649 1.00 0.00 N ATOM 0 H LYS A 29 0.880 -8.827 6.063 1.00 0.00 H new ATOM 0 HA LYS A 29 3.272 -8.979 7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.326 -9.636 4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.058 -9.610 4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.696 -11.796 5.517 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.373 -11.109 7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.957 -11.078 6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.229 -11.629 4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.095 -13.765 5.784 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.087 -13.215 7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.152 -14.658 6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.199 -13.338 7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.430 -13.210 5.903 1.00 0.00 H new ATOM 471 N ILE A 30 3.221 -6.641 5.143 1.00 0.00 N ATOM 472 CA ILE A 30 3.901 -5.443 4.667 1.00 0.00 C ATOM 473 C ILE A 30 4.035 -4.413 5.783 1.00 0.00 C ATOM 474 O ILE A 30 4.861 -3.503 5.708 1.00 0.00 O ATOM 475 CB ILE A 30 3.151 -4.806 3.482 1.00 0.00 C ATOM 476 CG1 ILE A 30 3.027 -5.808 2.332 1.00 0.00 C ATOM 477 CG2 ILE A 30 3.864 -3.545 3.018 1.00 0.00 C ATOM 478 CD1 ILE A 30 2.322 -5.251 1.115 1.00 0.00 C ATOM 0 H ILE A 30 2.331 -6.833 4.682 1.00 0.00 H new ATOM 0 HA ILE A 30 4.893 -5.749 4.335 1.00 0.00 H new ATOM 0 HB ILE A 30 2.149 -4.532 3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.024 -6.141 2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.487 -6.687 2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.321 -3.107 2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.905 -2.828 3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.877 -3.795 2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.271 -6.017 0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.312 -4.944 1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.874 -4.390 0.737 1.00 0.00 H new ATOM 490 N GLN A 31 3.217 -4.564 6.819 1.00 0.00 N ATOM 491 CA GLN A 31 3.244 -3.650 7.955 1.00 0.00 C ATOM 492 C GLN A 31 4.218 -4.140 9.020 1.00 0.00 C ATOM 493 O GLN A 31 4.708 -3.358 9.834 1.00 0.00 O ATOM 494 CB GLN A 31 1.843 -3.506 8.554 1.00 0.00 C ATOM 495 CG GLN A 31 1.707 -2.327 9.505 1.00 0.00 C ATOM 496 CD GLN A 31 0.411 -2.360 10.292 1.00 0.00 C ATOM 497 OE1 GLN A 31 -0.610 -2.850 9.809 1.00 0.00 O ATOM 498 NE2 GLN A 31 0.446 -1.833 11.510 1.00 0.00 N ATOM 0 H GLN A 31 2.527 -5.311 6.895 1.00 0.00 H new ATOM 0 HA GLN A 31 3.580 -2.676 7.600 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.121 -3.395 7.745 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.588 -4.423 9.086 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.549 -2.325 10.198 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.759 -1.398 8.937 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.315 -1.438 11.870 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.396 -1.823 12.086 1.00 0.00 H new ATOM 507 N ASP A 32 4.494 -5.440 9.008 1.00 0.00 N ATOM 508 CA ASP A 32 5.410 -6.037 9.973 1.00 0.00 C ATOM 509 C ASP A 32 6.845 -6.009 9.456 1.00 0.00 C ATOM 510 O ASP A 32 7.785 -6.318 10.189 1.00 0.00 O ATOM 511 CB ASP A 32 4.996 -7.473 10.280 1.00 0.00 C ATOM 512 CG ASP A 32 4.604 -7.665 11.731 1.00 0.00 C ATOM 513 OD1 ASP A 32 5.019 -6.841 12.573 1.00 0.00 O ATOM 514 OD2 ASP A 32 3.882 -8.641 12.027 1.00 0.00 O ATOM 0 H ASP A 32 4.096 -6.100 8.340 1.00 0.00 H new ATOM 0 HA ASP A 32 5.363 -5.448 10.889 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.158 -7.751 9.641 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.819 -8.145 10.037 1.00 0.00 H new ATOM 519 N LYS A 33 7.007 -5.638 8.190 1.00 0.00 N ATOM 520 CA LYS A 33 8.329 -5.569 7.577 1.00 0.00 C ATOM 521 C LYS A 33 8.644 -4.147 7.123 1.00 0.00 C ATOM 522 O LYS A 33 9.670 -3.580 7.498 1.00 0.00 O ATOM 523 CB LYS A 33 8.411 -6.527 6.387 1.00 0.00 C ATOM 524 CG LYS A 33 8.499 -7.990 6.788 1.00 0.00 C ATOM 525 CD LYS A 33 9.872 -8.337 7.341 1.00 0.00 C ATOM 526 CE LYS A 33 10.477 -9.530 6.619 1.00 0.00 C ATOM 527 NZ LYS A 33 11.868 -9.808 7.072 1.00 0.00 N ATOM 0 H LYS A 33 6.240 -5.381 7.569 1.00 0.00 H new ATOM 0 HA LYS A 33 9.066 -5.864 8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.534 -6.384 5.755 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.283 -6.271 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.738 -8.209 7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.285 -8.618 5.923 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.534 -7.476 7.242 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.792 -8.557 8.406 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.857 -10.410 6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.476 -9.343 5.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.244 -10.629 6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.466 -8.978 6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.867 -10.012 8.092 1.00 0.00 H new ATOM 541 N GLU A 34 7.754 -3.578 6.317 1.00 0.00 N ATOM 542 CA GLU A 34 7.938 -2.222 5.813 1.00 0.00 C ATOM 543 C GLU A 34 7.161 -1.216 6.658 1.00 0.00 C ATOM 544 O GLU A 34 7.041 -0.046 6.295 1.00 0.00 O ATOM 545 CB GLU A 34 7.489 -2.132 4.353 1.00 0.00 C ATOM 546 CG GLU A 34 8.504 -2.692 3.371 1.00 0.00 C ATOM 547 CD GLU A 34 9.254 -3.887 3.923 1.00 0.00 C ATOM 548 OE1 GLU A 34 8.740 -5.019 3.803 1.00 0.00 O ATOM 549 OE2 GLU A 34 10.357 -3.692 4.475 1.00 0.00 O ATOM 0 H GLU A 34 6.899 -4.034 5.999 1.00 0.00 H new ATOM 0 HA GLU A 34 8.999 -1.980 5.876 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.548 -2.670 4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.293 -1.089 4.105 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.993 -2.981 2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.217 -1.911 3.107 1.00 0.00 H new ATOM 556 N GLY A 35 6.633 -1.680 7.787 1.00 0.00 N ATOM 557 CA GLY A 35 5.874 -0.807 8.664 1.00 0.00 C ATOM 558 C GLY A 35 4.833 0.003 7.918 1.00 0.00 C ATOM 559 O GLY A 35 4.521 1.130 8.303 1.00 0.00 O ATOM 0 H GLY A 35 6.717 -2.644 8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.383 -1.406 9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.557 -0.130 9.177 1.00 0.00 H new ATOM 563 N ILE A 36 4.293 -0.571 6.846 1.00 0.00 N ATOM 564 CA ILE A 36 3.280 0.107 6.047 1.00 0.00 C ATOM 565 C ILE A 36 1.880 -0.381 6.403 1.00 0.00 C ATOM 566 O ILE A 36 1.589 -1.573 6.325 1.00 0.00 O ATOM 567 CB ILE A 36 3.516 -0.109 4.540 1.00 0.00 C ATOM 568 CG1 ILE A 36 5.015 -0.126 4.231 1.00 0.00 C ATOM 569 CG2 ILE A 36 2.816 0.974 3.733 1.00 0.00 C ATOM 570 CD1 ILE A 36 5.328 -0.174 2.752 1.00 0.00 C ATOM 0 H ILE A 36 4.540 -1.503 6.512 1.00 0.00 H new ATOM 0 HA ILE A 36 3.360 1.170 6.273 1.00 0.00 H new ATOM 0 HB ILE A 36 3.096 -1.074 4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.477 0.762 4.663 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.468 -0.990 4.718 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.992 0.807 2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.745 0.941 3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.208 1.950 4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.409 -0.184 2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.896 -1.076 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.905 0.703 2.262 1.00 0.00 H new ATOM 582 N PRO A 37 0.992 0.543 6.801 1.00 0.00 N ATOM 583 CA PRO A 37 -0.382 0.211 7.171 1.00 0.00 C ATOM 584 C PRO A 37 -1.285 0.049 5.954 1.00 0.00 C ATOM 585 O PRO A 37 -1.076 0.688 4.922 1.00 0.00 O ATOM 586 CB PRO A 37 -0.810 1.417 8.002 1.00 0.00 C ATOM 587 CG PRO A 37 -0.040 2.558 7.428 1.00 0.00 C ATOM 588 CD PRO A 37 1.262 1.987 6.923 1.00 0.00 C ATOM 0 HA PRO A 37 -0.452 -0.739 7.700 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.884 1.587 7.931 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.579 1.274 9.058 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.595 3.032 6.619 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.139 3.324 8.183 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.545 2.423 5.965 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.080 2.183 7.616 1.00 0.00 H new ATOM 596 N PRO A 38 -2.308 -0.812 6.061 1.00 0.00 N ATOM 597 CA PRO A 38 -3.252 -1.061 4.967 1.00 0.00 C ATOM 598 C PRO A 38 -4.019 0.195 4.570 1.00 0.00 C ATOM 599 O PRO A 38 -4.531 0.295 3.454 1.00 0.00 O ATOM 600 CB PRO A 38 -4.207 -2.114 5.542 1.00 0.00 C ATOM 601 CG PRO A 38 -4.046 -2.022 7.021 1.00 0.00 C ATOM 602 CD PRO A 38 -2.623 -1.606 7.256 1.00 0.00 C ATOM 0 HA PRO A 38 -2.743 -1.385 4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.237 -1.916 5.245 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.957 -3.111 5.180 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.740 -1.296 7.445 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.256 -2.980 7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.520 -1.019 8.169 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.962 -2.467 7.354 1.00 0.00 H new ATOM 610 N ASP A 39 -4.094 1.153 5.488 1.00 0.00 N ATOM 611 CA ASP A 39 -4.799 2.404 5.233 1.00 0.00 C ATOM 612 C ASP A 39 -4.027 3.270 4.242 1.00 0.00 C ATOM 613 O ASP A 39 -4.608 4.102 3.544 1.00 0.00 O ATOM 614 CB ASP A 39 -5.013 3.168 6.539 1.00 0.00 C ATOM 615 CG ASP A 39 -5.382 2.254 7.690 1.00 0.00 C ATOM 616 OD1 ASP A 39 -6.518 1.734 7.695 1.00 0.00 O ATOM 617 OD2 ASP A 39 -4.536 2.058 8.588 1.00 0.00 O ATOM 0 H ASP A 39 -3.675 1.087 6.416 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.770 2.164 4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.104 3.715 6.790 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.801 3.908 6.399 1.00 0.00 H new ATOM 622 N GLN A 40 -2.713 3.071 4.187 1.00 0.00 N ATOM 623 CA GLN A 40 -1.861 3.833 3.281 1.00 0.00 C ATOM 624 C GLN A 40 -1.215 2.924 2.240 1.00 0.00 C ATOM 625 O GLN A 40 -0.365 3.360 1.463 1.00 0.00 O ATOM 626 CB GLN A 40 -0.776 4.573 4.066 1.00 0.00 C ATOM 627 CG GLN A 40 -1.292 5.252 5.325 1.00 0.00 C ATOM 628 CD GLN A 40 -0.269 6.187 5.944 1.00 0.00 C ATOM 629 OE1 GLN A 40 0.355 5.862 6.952 1.00 0.00 O ATOM 630 NE2 GLN A 40 -0.094 7.355 5.338 1.00 0.00 N ATOM 0 H GLN A 40 -2.216 2.389 4.759 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.488 4.559 2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.008 3.867 4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.319 5.323 3.420 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.195 5.814 5.086 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.573 4.492 6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.634 7.582 4.503 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.581 8.025 5.707 1.00 0.00 H new ATOM 639 N GLN A 41 -1.620 1.657 2.231 1.00 0.00 N ATOM 640 CA GLN A 41 -1.077 0.690 1.286 1.00 0.00 C ATOM 641 C GLN A 41 -1.946 0.593 0.037 1.00 0.00 C ATOM 642 O GLN A 41 -3.143 0.319 0.122 1.00 0.00 O ATOM 643 CB GLN A 41 -0.963 -0.685 1.944 1.00 0.00 C ATOM 644 CG GLN A 41 0.417 -0.981 2.508 1.00 0.00 C ATOM 645 CD GLN A 41 0.608 -2.448 2.831 1.00 0.00 C ATOM 646 OE1 GLN A 41 0.953 -3.247 1.962 1.00 0.00 O ATOM 647 NE2 GLN A 41 0.381 -2.812 4.088 1.00 0.00 N ATOM 0 H GLN A 41 -2.321 1.278 2.867 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.086 1.032 0.989 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.697 -0.755 2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.218 -1.451 1.211 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.175 -0.669 1.789 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.572 -0.390 3.411 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.096 -2.116 4.777 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.491 -3.788 4.364 1.00 0.00 H new ATOM 656 N ARG A 42 -1.335 0.813 -1.122 1.00 0.00 N ATOM 657 CA ARG A 42 -2.053 0.746 -2.390 1.00 0.00 C ATOM 658 C ARG A 42 -1.454 -0.330 -3.289 1.00 0.00 C ATOM 659 O ARG A 42 -0.522 -0.069 -4.050 1.00 0.00 O ATOM 660 CB ARG A 42 -2.015 2.102 -3.096 1.00 0.00 C ATOM 661 CG ARG A 42 -3.362 2.536 -3.651 1.00 0.00 C ATOM 662 CD ARG A 42 -3.346 3.996 -4.072 1.00 0.00 C ATOM 663 NE ARG A 42 -4.144 4.228 -5.273 1.00 0.00 N ATOM 664 CZ ARG A 42 -5.473 4.227 -5.286 1.00 0.00 C ATOM 665 NH1 ARG A 42 -6.148 4.011 -4.165 1.00 0.00 N ATOM 666 NH2 ARG A 42 -6.128 4.443 -6.418 1.00 0.00 N ATOM 0 H ARG A 42 -0.344 1.039 -1.210 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.091 0.487 -2.182 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.659 2.857 -2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.293 2.058 -3.911 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.622 1.912 -4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.134 2.382 -2.897 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.728 4.612 -3.258 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.318 4.310 -4.254 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.654 4.400 -6.151 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.647 3.845 -3.292 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.168 4.010 -4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.612 4.610 -7.282 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.148 4.442 -6.425 1.00 0.00 H new ATOM 680 N LEU A 43 -1.993 -1.541 -3.193 1.00 0.00 N ATOM 681 CA LEU A 43 -1.509 -2.660 -3.994 1.00 0.00 C ATOM 682 C LEU A 43 -2.254 -2.745 -5.322 1.00 0.00 C ATOM 683 O LEU A 43 -3.480 -2.643 -5.366 1.00 0.00 O ATOM 684 CB LEU A 43 -1.668 -3.972 -3.224 1.00 0.00 C ATOM 685 CG LEU A 43 -0.636 -4.206 -2.119 1.00 0.00 C ATOM 686 CD1 LEU A 43 -1.228 -5.055 -1.007 1.00 0.00 C ATOM 687 CD2 LEU A 43 0.612 -4.864 -2.688 1.00 0.00 C ATOM 0 H LEU A 43 -2.765 -1.773 -2.568 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.452 -2.493 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.664 -3.997 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.613 -4.799 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.355 -3.240 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.479 -5.211 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.092 -4.545 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.538 -6.019 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.336 -5.023 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.347 -5.823 -3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.049 -4.218 -3.450 1.00 0.00 H new ATOM 699 N ILE A 44 -1.504 -2.934 -6.402 1.00 0.00 N ATOM 700 CA ILE A 44 -2.090 -3.034 -7.733 1.00 0.00 C ATOM 701 C ILE A 44 -1.446 -4.161 -8.533 1.00 0.00 C ATOM 702 O ILE A 44 -0.244 -4.138 -8.800 1.00 0.00 O ATOM 703 CB ILE A 44 -1.940 -1.714 -8.514 1.00 0.00 C ATOM 704 CG1 ILE A 44 -2.750 -0.604 -7.843 1.00 0.00 C ATOM 705 CG2 ILE A 44 -2.378 -1.901 -9.959 1.00 0.00 C ATOM 706 CD1 ILE A 44 -1.895 0.494 -7.250 1.00 0.00 C ATOM 0 H ILE A 44 -0.488 -3.021 -6.381 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.150 -3.248 -7.597 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.890 -1.423 -8.509 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.430 -0.168 -8.575 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.365 -1.040 -7.056 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.266 -0.960 -10.498 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.760 -2.665 -10.431 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.422 -2.212 -9.985 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.536 1.247 -6.791 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.233 0.072 -6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.299 0.956 -8.037 1.00 0.00 H new ATOM 718 N PHE A 45 -2.251 -5.149 -8.912 1.00 0.00 N ATOM 719 CA PHE A 45 -1.759 -6.285 -9.681 1.00 0.00 C ATOM 720 C PHE A 45 -2.196 -6.187 -11.139 1.00 0.00 C ATOM 721 O PHE A 45 -3.390 -6.191 -11.440 1.00 0.00 O ATOM 722 CB PHE A 45 -2.261 -7.596 -9.072 1.00 0.00 C ATOM 723 CG PHE A 45 -1.978 -8.802 -9.924 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.686 -9.067 -10.366 1.00 0.00 C ATOM 725 CD2 PHE A 45 -3.001 -9.670 -10.284 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.422 -10.179 -11.152 1.00 0.00 C ATOM 727 CE2 PHE A 45 -2.743 -10.783 -11.070 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.452 -11.037 -11.503 1.00 0.00 C ATOM 0 H PHE A 45 -3.248 -5.185 -8.698 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.670 -6.270 -9.646 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.797 -7.734 -8.095 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.336 -7.522 -8.907 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.119 -8.401 -10.095 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.009 -9.476 -9.948 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.585 -10.376 -11.490 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.547 -11.450 -11.344 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.248 -11.904 -12.114 1.00 0.00 H new ATOM 738 N ALA A 46 -1.223 -6.099 -12.039 1.00 0.00 N ATOM 739 CA ALA A 46 -1.509 -5.999 -13.465 1.00 0.00 C ATOM 740 C ALA A 46 -2.522 -4.895 -13.744 1.00 0.00 C ATOM 741 O ALA A 46 -3.468 -5.084 -14.509 1.00 0.00 O ATOM 742 CB ALA A 46 -2.017 -7.331 -13.995 1.00 0.00 C ATOM 0 H ALA A 46 -0.230 -6.095 -11.806 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.583 -5.745 -13.980 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.227 -7.242 -15.061 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.259 -8.098 -13.837 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.930 -7.608 -13.468 1.00 0.00 H new ATOM 748 N GLY A 47 -2.319 -3.740 -13.118 1.00 0.00 N ATOM 749 CA GLY A 47 -3.223 -2.622 -13.311 1.00 0.00 C ATOM 750 C GLY A 47 -4.588 -2.868 -12.699 1.00 0.00 C ATOM 751 O GLY A 47 -5.569 -2.228 -13.076 1.00 0.00 O ATOM 0 H GLY A 47 -1.544 -3.559 -12.480 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.787 -1.726 -12.870 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.336 -2.430 -14.378 1.00 0.00 H new ATOM 755 N LYS A 48 -4.650 -3.799 -11.752 1.00 0.00 N ATOM 756 CA LYS A 48 -5.905 -4.130 -11.087 1.00 0.00 C ATOM 757 C LYS A 48 -5.777 -3.973 -9.575 1.00 0.00 C ATOM 758 O LYS A 48 -5.295 -4.872 -8.885 1.00 0.00 O ATOM 759 CB LYS A 48 -6.325 -5.560 -11.428 1.00 0.00 C ATOM 760 CG LYS A 48 -7.805 -5.700 -11.751 1.00 0.00 C ATOM 761 CD LYS A 48 -8.079 -6.939 -12.588 1.00 0.00 C ATOM 762 CE LYS A 48 -9.055 -7.874 -11.895 1.00 0.00 C ATOM 763 NZ LYS A 48 -9.821 -8.701 -12.869 1.00 0.00 N ATOM 0 H LYS A 48 -3.846 -4.337 -11.428 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.669 -3.439 -11.443 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.741 -5.908 -12.280 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.082 -6.211 -10.588 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.377 -5.752 -10.825 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.147 -4.815 -12.287 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.482 -6.643 -13.557 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.143 -7.465 -12.779 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.510 -8.528 -11.214 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.749 -7.291 -11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.476 -9.325 -12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.362 -8.079 -13.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.161 -9.277 -13.429 1.00 0.00 H new ATOM 777 N GLN A 49 -6.212 -2.825 -9.065 1.00 0.00 N ATOM 778 CA GLN A 49 -6.146 -2.551 -7.634 1.00 0.00 C ATOM 779 C GLN A 49 -6.887 -3.622 -6.840 1.00 0.00 C ATOM 780 O GLN A 49 -8.029 -3.962 -7.153 1.00 0.00 O ATOM 781 CB GLN A 49 -6.738 -1.174 -7.329 1.00 0.00 C ATOM 782 CG GLN A 49 -6.042 -0.454 -6.185 1.00 0.00 C ATOM 783 CD GLN A 49 -7.018 0.131 -5.184 1.00 0.00 C ATOM 784 OE1 GLN A 49 -7.836 0.987 -5.523 1.00 0.00 O ATOM 785 NE2 GLN A 49 -6.937 -0.328 -3.940 1.00 0.00 N ATOM 0 H GLN A 49 -6.614 -2.070 -9.621 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.098 -2.563 -7.336 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.681 -0.556 -8.225 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.795 -1.287 -7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.377 -1.150 -5.674 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.419 0.344 -6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.244 -1.038 -3.702 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.568 0.029 -3.222 1.00 0.00 H new ATOM 794 N LEU A 50 -6.232 -4.151 -5.812 1.00 0.00 N ATOM 795 CA LEU A 50 -6.829 -5.183 -4.973 1.00 0.00 C ATOM 796 C LEU A 50 -7.817 -4.577 -3.982 1.00 0.00 C ATOM 797 O LEU A 50 -7.745 -3.390 -3.667 1.00 0.00 O ATOM 798 CB LEU A 50 -5.739 -5.952 -4.221 1.00 0.00 C ATOM 799 CG LEU A 50 -4.552 -6.394 -5.078 1.00 0.00 C ATOM 800 CD1 LEU A 50 -3.618 -7.286 -4.274 1.00 0.00 C ATOM 801 CD2 LEU A 50 -5.037 -7.114 -6.326 1.00 0.00 C ATOM 0 H LEU A 50 -5.287 -3.882 -5.540 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.371 -5.873 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.369 -5.326 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.187 -6.835 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.998 -5.507 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.779 -7.591 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.245 -6.737 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.160 -8.170 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.180 -7.422 -6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.613 -7.993 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.666 -6.444 -6.911 1.00 0.00 H new ATOM 813 N GLU A 51 -8.739 -5.401 -3.495 1.00 0.00 N ATOM 814 CA GLU A 51 -9.741 -4.945 -2.538 1.00 0.00 C ATOM 815 C GLU A 51 -9.734 -5.815 -1.285 1.00 0.00 C ATOM 816 O GLU A 51 -9.930 -7.029 -1.359 1.00 0.00 O ATOM 817 CB GLU A 51 -11.132 -4.964 -3.177 1.00 0.00 C ATOM 818 CG GLU A 51 -11.320 -3.906 -4.253 1.00 0.00 C ATOM 819 CD GLU A 51 -12.777 -3.706 -4.623 1.00 0.00 C ATOM 820 OE1 GLU A 51 -13.468 -2.936 -3.923 1.00 0.00 O ATOM 821 OE2 GLU A 51 -13.227 -4.319 -5.614 1.00 0.00 O ATOM 0 H GLU A 51 -8.813 -6.387 -3.747 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.493 -3.923 -2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.310 -5.948 -3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.882 -4.818 -2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.904 -2.961 -3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.759 -4.193 -5.142 1.00 0.00 H new ATOM 828 N ASP A 52 -9.507 -5.187 -0.137 1.00 0.00 N ATOM 829 CA ASP A 52 -9.476 -5.904 1.133 1.00 0.00 C ATOM 830 C ASP A 52 -10.676 -6.837 1.259 1.00 0.00 C ATOM 831 O ASP A 52 -11.761 -6.540 0.759 1.00 0.00 O ATOM 832 CB ASP A 52 -9.458 -4.917 2.301 1.00 0.00 C ATOM 833 CG ASP A 52 -9.265 -5.606 3.638 1.00 0.00 C ATOM 834 OD1 ASP A 52 -10.159 -6.379 4.043 1.00 0.00 O ATOM 835 OD2 ASP A 52 -8.219 -5.371 4.279 1.00 0.00 O ATOM 0 H ASP A 52 -9.342 -4.183 -0.059 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.566 -6.504 1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.657 -4.194 2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.394 -4.358 2.315 1.00 0.00 H new ATOM 840 N GLY A 53 -10.473 -7.967 1.928 1.00 0.00 N ATOM 841 CA GLY A 53 -11.546 -8.926 2.107 1.00 0.00 C ATOM 842 C GLY A 53 -11.567 -9.982 1.019 1.00 0.00 C ATOM 843 O GLY A 53 -12.156 -11.048 1.190 1.00 0.00 O ATOM 0 H GLY A 53 -9.584 -8.235 2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.438 -9.411 3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.501 -8.401 2.118 1.00 0.00 H new ATOM 847 N ARG A 54 -10.922 -9.683 -0.105 1.00 0.00 N ATOM 848 CA ARG A 54 -10.868 -10.615 -1.225 1.00 0.00 C ATOM 849 C ARG A 54 -9.656 -11.534 -1.110 1.00 0.00 C ATOM 850 O ARG A 54 -8.647 -11.173 -0.504 1.00 0.00 O ATOM 851 CB ARG A 54 -10.820 -9.851 -2.550 1.00 0.00 C ATOM 852 CG ARG A 54 -11.774 -10.394 -3.602 1.00 0.00 C ATOM 853 CD ARG A 54 -13.216 -10.035 -3.285 1.00 0.00 C ATOM 854 NE ARG A 54 -14.161 -10.796 -4.098 1.00 0.00 N ATOM 855 CZ ARG A 54 -15.448 -10.935 -3.797 1.00 0.00 C ATOM 856 NH1 ARG A 54 -15.940 -10.367 -2.704 1.00 0.00 N ATOM 857 NH2 ARG A 54 -16.245 -11.641 -4.588 1.00 0.00 N ATOM 0 H ARG A 54 -10.430 -8.804 -0.264 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.769 -11.227 -1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.056 -8.803 -2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.803 -9.884 -2.942 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.505 -9.994 -4.580 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -11.673 -11.478 -3.662 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.413 -10.223 -2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.370 -8.969 -3.453 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.814 -11.246 -4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.330 -9.823 -2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.928 -10.474 -2.474 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.871 -12.079 -5.430 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.232 -11.746 -4.355 1.00 0.00 H new ATOM 871 N THR A 55 -9.762 -12.722 -1.696 1.00 0.00 N ATOM 872 CA THR A 55 -8.675 -13.693 -1.658 1.00 0.00 C ATOM 873 C THR A 55 -7.748 -13.518 -2.855 1.00 0.00 C ATOM 874 O THR A 55 -8.201 -13.420 -3.996 1.00 0.00 O ATOM 875 CB THR A 55 -9.235 -15.116 -1.636 1.00 0.00 C ATOM 876 OG1 THR A 55 -10.088 -15.335 -2.745 1.00 0.00 O ATOM 877 CG2 THR A 55 -10.022 -15.431 -0.382 1.00 0.00 C ATOM 0 H THR A 55 -10.590 -13.035 -2.203 1.00 0.00 H new ATOM 0 HA THR A 55 -8.100 -13.522 -0.748 1.00 0.00 H new ATOM 0 HB THR A 55 -8.364 -15.770 -1.672 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.910 -14.813 -2.634 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.391 -16.456 -0.432 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.377 -15.319 0.490 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.866 -14.746 -0.300 1.00 0.00 H new ATOM 885 N LEU A 56 -6.446 -13.482 -2.589 1.00 0.00 N ATOM 886 CA LEU A 56 -5.454 -13.321 -3.645 1.00 0.00 C ATOM 887 C LEU A 56 -5.756 -14.249 -4.819 1.00 0.00 C ATOM 888 O LEU A 56 -5.439 -13.938 -5.967 1.00 0.00 O ATOM 889 CB LEU A 56 -4.051 -13.606 -3.104 1.00 0.00 C ATOM 890 CG LEU A 56 -3.526 -12.585 -2.094 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.343 -13.155 -1.326 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.135 -11.295 -2.798 1.00 0.00 C ATOM 0 H LEU A 56 -6.054 -13.562 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.498 -12.290 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.052 -14.590 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.357 -13.653 -3.943 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.321 -12.362 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.982 -12.415 -0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.654 -14.053 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.544 -13.406 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.763 -10.579 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.355 -11.502 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.006 -10.878 -3.304 1.00 0.00 H new ATOM 904 N SER A 57 -6.371 -15.389 -4.520 1.00 0.00 N ATOM 905 CA SER A 57 -6.716 -16.365 -5.546 1.00 0.00 C ATOM 906 C SER A 57 -7.837 -15.844 -6.440 1.00 0.00 C ATOM 907 O SER A 57 -8.029 -16.329 -7.556 1.00 0.00 O ATOM 908 CB SER A 57 -7.137 -17.685 -4.898 1.00 0.00 C ATOM 909 OG SER A 57 -7.258 -17.547 -3.492 1.00 0.00 O ATOM 0 H SER A 57 -6.641 -15.659 -3.574 1.00 0.00 H new ATOM 0 HA SER A 57 -5.834 -16.534 -6.164 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.088 -18.013 -5.318 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.404 -18.457 -5.129 1.00 0.00 H new ATOM 0 HG SER A 57 -7.529 -18.404 -3.101 1.00 0.00 H new ATOM 915 N ASP A 58 -8.573 -14.853 -5.946 1.00 0.00 N ATOM 916 CA ASP A 58 -9.674 -14.267 -6.703 1.00 0.00 C ATOM 917 C ASP A 58 -9.149 -13.438 -7.871 1.00 0.00 C ATOM 918 O ASP A 58 -9.881 -13.150 -8.818 1.00 0.00 O ATOM 919 CB ASP A 58 -10.542 -13.397 -5.793 1.00 0.00 C ATOM 920 CG ASP A 58 -11.541 -14.211 -4.995 1.00 0.00 C ATOM 921 OD1 ASP A 58 -12.190 -15.100 -5.587 1.00 0.00 O ATOM 922 OD2 ASP A 58 -11.678 -13.959 -3.779 1.00 0.00 O ATOM 0 H ASP A 58 -8.427 -14.439 -5.025 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.281 -15.080 -7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.902 -12.841 -5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.076 -12.664 -6.398 1.00 0.00 H new ATOM 927 N TYR A 59 -7.877 -13.058 -7.797 1.00 0.00 N ATOM 928 CA TYR A 59 -7.256 -12.261 -8.848 1.00 0.00 C ATOM 929 C TYR A 59 -6.395 -13.135 -9.754 1.00 0.00 C ATOM 930 O TYR A 59 -5.390 -12.680 -10.301 1.00 0.00 O ATOM 931 CB TYR A 59 -6.407 -11.145 -8.238 1.00 0.00 C ATOM 932 CG TYR A 59 -7.214 -10.109 -7.488 1.00 0.00 C ATOM 933 CD1 TYR A 59 -8.155 -9.319 -8.149 1.00 0.00 C ATOM 934 CD2 TYR A 59 -7.039 -9.919 -6.118 1.00 0.00 C ATOM 935 CE1 TYR A 59 -8.897 -8.369 -7.464 1.00 0.00 C ATOM 936 CE2 TYR A 59 -7.779 -8.971 -5.427 1.00 0.00 C ATOM 937 CZ TYR A 59 -8.706 -8.200 -6.105 1.00 0.00 C ATOM 938 OH TYR A 59 -9.441 -7.258 -5.423 1.00 0.00 O ATOM 0 H TYR A 59 -7.257 -13.289 -7.021 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.049 -11.815 -9.449 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.677 -11.586 -7.559 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.847 -10.651 -9.032 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.308 -9.449 -9.210 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.316 -10.520 -5.586 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.621 -7.764 -7.989 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.632 -8.836 -4.366 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.314 -7.148 -5.855 1.00 0.00 H new ATOM 948 N ASN A 60 -6.796 -14.393 -9.910 1.00 0.00 N ATOM 949 CA ASN A 60 -6.062 -15.331 -10.750 1.00 0.00 C ATOM 950 C ASN A 60 -4.558 -15.104 -10.637 1.00 0.00 C ATOM 951 O ASN A 60 -3.818 -15.292 -11.603 1.00 0.00 O ATOM 952 CB ASN A 60 -6.502 -15.193 -12.208 1.00 0.00 C ATOM 953 CG ASN A 60 -6.435 -13.759 -12.698 1.00 0.00 C ATOM 954 OD1 ASN A 60 -7.451 -13.067 -12.765 1.00 0.00 O ATOM 955 ND2 ASN A 60 -5.236 -13.306 -13.043 1.00 0.00 N ATOM 0 H ASN A 60 -7.626 -14.786 -9.465 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.285 -16.340 -10.404 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.869 -15.819 -12.837 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.522 -15.563 -12.314 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.130 -12.349 -13.380 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.421 -13.915 -12.971 1.00 0.00 H new ATOM 962 N LEU A 61 -4.112 -14.699 -9.452 1.00 0.00 N ATOM 963 CA LEU A 61 -2.696 -14.446 -9.215 1.00 0.00 C ATOM 964 C LEU A 61 -1.884 -15.729 -9.358 1.00 0.00 C ATOM 965 O LEU A 61 -2.253 -16.773 -8.822 1.00 0.00 O ATOM 966 CB LEU A 61 -2.489 -13.851 -7.820 1.00 0.00 C ATOM 967 CG LEU A 61 -2.293 -12.334 -7.788 1.00 0.00 C ATOM 968 CD1 LEU A 61 -2.743 -11.766 -6.450 1.00 0.00 C ATOM 969 CD2 LEU A 61 -0.840 -11.978 -8.060 1.00 0.00 C ATOM 0 H LEU A 61 -4.711 -14.539 -8.642 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.350 -13.732 -9.962 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.350 -14.104 -7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.619 -14.325 -7.365 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.907 -11.891 -8.572 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.596 -10.686 -6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.799 -11.989 -6.296 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.157 -12.215 -5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.720 -10.895 -8.033 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.205 -12.433 -7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.552 -12.351 -9.043 1.00 0.00 H new ATOM 981 N GLN A 62 -0.775 -15.642 -10.087 1.00 0.00 N ATOM 982 CA GLN A 62 0.090 -16.796 -10.303 1.00 0.00 C ATOM 983 C GLN A 62 1.271 -16.780 -9.339 1.00 0.00 C ATOM 984 O GLN A 62 1.341 -15.941 -8.440 1.00 0.00 O ATOM 985 CB GLN A 62 0.594 -16.818 -11.746 1.00 0.00 C ATOM 986 CG GLN A 62 -0.393 -17.432 -12.726 1.00 0.00 C ATOM 987 CD GLN A 62 0.089 -17.362 -14.162 1.00 0.00 C ATOM 988 OE1 GLN A 62 1.229 -16.979 -14.428 1.00 0.00 O ATOM 989 NE2 GLN A 62 -0.779 -17.731 -15.096 1.00 0.00 N ATOM 0 H GLN A 62 -0.455 -14.785 -10.538 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.495 -17.697 -10.116 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.818 -15.798 -12.059 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.529 -17.377 -11.787 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.567 -18.474 -12.456 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.350 -16.917 -12.643 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.713 -18.042 -14.830 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.512 -17.704 -16.080 1.00 0.00 H new ATOM 998 N LYS A 63 2.200 -17.711 -9.532 1.00 0.00 N ATOM 999 CA LYS A 63 3.379 -17.802 -8.679 1.00 0.00 C ATOM 1000 C LYS A 63 4.362 -16.678 -8.987 1.00 0.00 C ATOM 1001 O LYS A 63 4.539 -16.294 -10.143 1.00 0.00 O ATOM 1002 CB LYS A 63 4.062 -19.159 -8.862 1.00 0.00 C ATOM 1003 CG LYS A 63 4.032 -20.028 -7.616 1.00 0.00 C ATOM 1004 CD LYS A 63 3.720 -21.476 -7.954 1.00 0.00 C ATOM 1005 CE LYS A 63 4.847 -22.403 -7.528 1.00 0.00 C ATOM 1006 NZ LYS A 63 5.568 -22.975 -8.699 1.00 0.00 N ATOM 0 H LYS A 63 2.159 -18.413 -10.271 1.00 0.00 H new ATOM 0 HA LYS A 63 3.056 -17.702 -7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.577 -19.693 -9.679 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.099 -18.998 -9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.995 -19.971 -7.108 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.283 -19.646 -6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.795 -21.775 -7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.554 -21.573 -9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.550 -21.855 -6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.442 -23.212 -6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.329 -23.601 -8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.903 -23.519 -9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.977 -22.204 -9.265 1.00 0.00 H new ATOM 1020 N GLU A 64 5.000 -16.156 -7.944 1.00 0.00 N ATOM 1021 CA GLU A 64 5.965 -15.075 -8.104 1.00 0.00 C ATOM 1022 C GLU A 64 5.426 -13.997 -9.039 1.00 0.00 C ATOM 1023 O GLU A 64 6.079 -13.624 -10.014 1.00 0.00 O ATOM 1024 CB GLU A 64 7.288 -15.622 -8.644 1.00 0.00 C ATOM 1025 CG GLU A 64 7.720 -16.924 -7.989 1.00 0.00 C ATOM 1026 CD GLU A 64 9.131 -17.329 -8.372 1.00 0.00 C ATOM 1027 OE1 GLU A 64 10.061 -16.529 -8.141 1.00 0.00 O ATOM 1028 OE2 GLU A 64 9.304 -18.447 -8.902 1.00 0.00 O ATOM 0 H GLU A 64 4.866 -16.464 -6.981 1.00 0.00 H new ATOM 0 HA GLU A 64 6.137 -14.627 -7.126 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.195 -15.779 -9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.068 -14.875 -8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.657 -16.820 -6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.028 -17.717 -8.274 1.00 0.00 H new ATOM 1035 N SER A 65 4.232 -13.501 -8.735 1.00 0.00 N ATOM 1036 CA SER A 65 3.604 -12.466 -9.548 1.00 0.00 C ATOM 1037 C SER A 65 4.234 -11.104 -9.276 1.00 0.00 C ATOM 1038 O SER A 65 4.886 -10.904 -8.252 1.00 0.00 O ATOM 1039 CB SER A 65 2.101 -12.411 -9.268 1.00 0.00 C ATOM 1040 OG SER A 65 1.429 -13.504 -9.868 1.00 0.00 O ATOM 0 H SER A 65 3.679 -13.799 -7.931 1.00 0.00 H new ATOM 0 HA SER A 65 3.762 -12.716 -10.597 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.928 -12.421 -8.192 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.691 -11.475 -9.648 1.00 0.00 H new ATOM 0 HG SER A 65 1.446 -14.272 -9.260 1.00 0.00 H new ATOM 1046 N THR A 66 4.033 -10.170 -10.200 1.00 0.00 N ATOM 1047 CA THR A 66 4.580 -8.826 -10.060 1.00 0.00 C ATOM 1048 C THR A 66 3.477 -7.818 -9.752 1.00 0.00 C ATOM 1049 O THR A 66 2.647 -7.513 -10.607 1.00 0.00 O ATOM 1050 CB THR A 66 5.320 -8.418 -11.335 1.00 0.00 C ATOM 1051 OG1 THR A 66 6.219 -9.434 -11.740 1.00 0.00 O ATOM 1052 CG2 THR A 66 6.114 -7.138 -11.181 1.00 0.00 C ATOM 0 H THR A 66 3.495 -10.320 -11.054 1.00 0.00 H new ATOM 0 HA THR A 66 5.283 -8.832 -9.227 1.00 0.00 H new ATOM 0 HB THR A 66 4.543 -8.258 -12.082 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.681 -9.155 -12.558 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.614 -6.905 -12.121 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.441 -6.322 -10.916 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.859 -7.264 -10.395 1.00 0.00 H new ATOM 1060 N ILE A 67 3.478 -7.306 -8.526 1.00 0.00 N ATOM 1061 CA ILE A 67 2.478 -6.333 -8.105 1.00 0.00 C ATOM 1062 C ILE A 67 3.117 -4.977 -7.824 1.00 0.00 C ATOM 1063 O ILE A 67 4.225 -4.901 -7.293 1.00 0.00 O ATOM 1064 CB ILE A 67 1.730 -6.805 -6.843 1.00 0.00 C ATOM 1065 CG1 ILE A 67 0.870 -8.030 -7.162 1.00 0.00 C ATOM 1066 CG2 ILE A 67 0.873 -5.679 -6.283 1.00 0.00 C ATOM 1067 CD1 ILE A 67 1.569 -9.345 -6.894 1.00 0.00 C ATOM 0 H ILE A 67 4.160 -7.549 -7.807 1.00 0.00 H new ATOM 0 HA ILE A 67 1.767 -6.236 -8.925 1.00 0.00 H new ATOM 0 HB ILE A 67 2.463 -7.087 -6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.044 -7.986 -6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.573 -7.993 -8.210 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.351 -6.028 -5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.509 -4.833 -6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.145 -5.369 -7.032 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.901 -10.170 -7.142 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.469 -9.410 -7.506 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.842 -9.404 -5.840 1.00 0.00 H new ATOM 1079 N HIS A 68 2.412 -3.909 -8.185 1.00 0.00 N ATOM 1080 CA HIS A 68 2.912 -2.557 -7.971 1.00 0.00 C ATOM 1081 C HIS A 68 2.288 -1.937 -6.725 1.00 0.00 C ATOM 1082 O HIS A 68 1.106 -1.590 -6.718 1.00 0.00 O ATOM 1083 CB HIS A 68 2.619 -1.682 -9.191 1.00 0.00 C ATOM 1084 CG HIS A 68 2.885 -2.364 -10.497 1.00 0.00 C ATOM 1085 ND1 HIS A 68 2.505 -1.837 -11.713 1.00 0.00 N ATOM 1086 CD2 HIS A 68 3.501 -3.539 -10.774 1.00 0.00 C ATOM 1087 CE1 HIS A 68 2.873 -2.658 -12.681 1.00 0.00 C ATOM 1088 NE2 HIS A 68 3.479 -3.697 -12.138 1.00 0.00 N ATOM 0 H HIS A 68 1.494 -3.955 -8.627 1.00 0.00 H new ATOM 0 HA HIS A 68 3.991 -2.615 -7.825 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.575 -1.369 -9.160 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.225 -0.778 -9.133 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.929 -4.223 -10.056 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.706 -2.505 -13.737 1.00 0.00 H new ATOM 0 HE2 HIS A 68 3.868 -4.489 -12.649 1.00 0.00 H new ATOM 1097 N LEU A 69 3.089 -1.799 -5.674 1.00 0.00 N ATOM 1098 CA LEU A 69 2.614 -1.219 -4.423 1.00 0.00 C ATOM 1099 C LEU A 69 2.957 0.262 -4.348 1.00 0.00 C ATOM 1100 O LEU A 69 4.128 0.641 -4.345 1.00 0.00 O ATOM 1101 CB LEU A 69 3.222 -1.956 -3.229 1.00 0.00 C ATOM 1102 CG LEU A 69 2.997 -1.282 -1.874 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.580 -1.532 -1.383 1.00 0.00 C ATOM 1104 CD2 LEU A 69 4.013 -1.780 -0.856 1.00 0.00 C ATOM 0 H LEU A 69 4.069 -2.081 -5.663 1.00 0.00 H new ATOM 0 HA LEU A 69 1.530 -1.326 -4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.806 -2.963 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.295 -2.061 -3.393 1.00 0.00 H new ATOM 0 HG LEU A 69 3.132 -0.207 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.438 -1.045 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.869 -1.126 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.416 -2.604 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.838 -1.290 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.910 -2.858 -0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.020 -1.548 -1.204 1.00 0.00 H new ATOM 1116 N VAL A 70 1.926 1.096 -4.290 1.00 0.00 N ATOM 1117 CA VAL A 70 2.114 2.536 -4.216 1.00 0.00 C ATOM 1118 C VAL A 70 1.462 3.111 -2.965 1.00 0.00 C ATOM 1119 O VAL A 70 0.465 2.583 -2.470 1.00 0.00 O ATOM 1120 CB VAL A 70 1.537 3.251 -5.454 1.00 0.00 C ATOM 1121 CG1 VAL A 70 2.470 4.363 -5.908 1.00 0.00 C ATOM 1122 CG2 VAL A 70 1.288 2.261 -6.582 1.00 0.00 C ATOM 0 H VAL A 70 0.951 0.798 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 70 3.190 2.708 -4.178 1.00 0.00 H new ATOM 0 HB VAL A 70 0.581 3.696 -5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.048 4.858 -6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.590 5.089 -5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.442 3.941 -6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.881 2.788 -7.445 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.227 1.781 -6.859 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.578 1.503 -6.251 1.00 0.00 H new ATOM 1132 N LEU A 71 2.035 4.196 -2.459 1.00 0.00 N ATOM 1133 CA LEU A 71 1.515 4.851 -1.265 1.00 0.00 C ATOM 1134 C LEU A 71 0.117 5.405 -1.518 1.00 0.00 C ATOM 1135 O LEU A 71 -0.288 5.595 -2.665 1.00 0.00 O ATOM 1136 CB LEU A 71 2.451 5.980 -0.832 1.00 0.00 C ATOM 1137 CG LEU A 71 3.156 5.755 0.506 1.00 0.00 C ATOM 1138 CD1 LEU A 71 4.665 5.814 0.328 1.00 0.00 C ATOM 1139 CD2 LEU A 71 2.695 6.779 1.531 1.00 0.00 C ATOM 0 H LEU A 71 2.861 4.642 -2.858 1.00 0.00 H new ATOM 0 HA LEU A 71 1.456 4.110 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.207 6.122 -1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.878 6.905 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 71 2.893 4.763 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.151 5.652 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.979 5.040 -0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.947 6.792 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.207 6.603 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.928 7.782 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.619 6.687 1.679 1.00 0.00 H new ATOM 1151 N ARG A 72 -0.618 5.665 -0.441 1.00 0.00 N ATOM 1152 CA ARG A 72 -1.970 6.198 -0.551 1.00 0.00 C ATOM 1153 C ARG A 72 -1.995 7.687 -0.220 1.00 0.00 C ATOM 1154 O ARG A 72 -1.455 8.115 0.800 1.00 0.00 O ATOM 1155 CB ARG A 72 -2.919 5.439 0.379 1.00 0.00 C ATOM 1156 CG ARG A 72 -4.083 4.785 -0.345 1.00 0.00 C ATOM 1157 CD ARG A 72 -5.216 4.447 0.610 1.00 0.00 C ATOM 1158 NE ARG A 72 -6.523 4.777 0.047 1.00 0.00 N ATOM 1159 CZ ARG A 72 -7.664 4.250 0.479 1.00 0.00 C ATOM 1160 NH1 ARG A 72 -7.658 3.375 1.476 1.00 0.00 N ATOM 1161 NH2 ARG A 72 -8.812 4.597 -0.085 1.00 0.00 N ATOM 0 H ARG A 72 -0.300 5.515 0.516 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.303 6.067 -1.581 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.356 4.673 0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.309 6.128 1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -4.450 5.454 -1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.740 3.876 -0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.183 3.384 0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.076 4.990 1.545 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.562 5.449 -0.720 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.776 3.105 1.913 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.535 2.972 1.806 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.821 5.269 -0.852 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.687 4.192 0.248 1.00 0.00 H new ATOM 1175 N LEU A 73 -2.624 8.471 -1.089 1.00 0.00 N ATOM 1176 CA LEU A 73 -2.718 9.912 -0.890 1.00 0.00 C ATOM 1177 C LEU A 73 -4.118 10.310 -0.433 1.00 0.00 C ATOM 1178 O LEU A 73 -5.054 9.513 -0.501 1.00 0.00 O ATOM 1179 CB LEU A 73 -2.361 10.650 -2.181 1.00 0.00 C ATOM 1180 CG LEU A 73 -0.926 11.177 -2.250 1.00 0.00 C ATOM 1181 CD1 LEU A 73 -0.544 11.854 -0.942 1.00 0.00 C ATOM 1182 CD2 LEU A 73 0.041 10.047 -2.571 1.00 0.00 C ATOM 0 H LEU A 73 -3.076 8.132 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.009 10.192 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.526 9.978 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.046 11.489 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.867 11.916 -3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.480 12.223 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.219 12.689 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.618 11.136 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.057 10.439 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.019 9.285 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.221 9.606 -3.533 1.00 0.00 H new ATOM 1194 N ARG A 74 -4.252 11.547 0.032 1.00 0.00 N ATOM 1195 CA ARG A 74 -5.537 12.053 0.500 1.00 0.00 C ATOM 1196 C ARG A 74 -6.623 11.835 -0.548 1.00 0.00 C ATOM 1197 O ARG A 74 -6.462 12.209 -1.709 1.00 0.00 O ATOM 1198 CB ARG A 74 -5.430 13.542 0.838 1.00 0.00 C ATOM 1199 CG ARG A 74 -6.009 13.900 2.197 1.00 0.00 C ATOM 1200 CD ARG A 74 -4.961 14.530 3.099 1.00 0.00 C ATOM 1201 NE ARG A 74 -5.487 15.680 3.830 1.00 0.00 N ATOM 1202 CZ ARG A 74 -4.739 16.478 4.585 1.00 0.00 C ATOM 1203 NH1 ARG A 74 -3.437 16.251 4.706 1.00 0.00 N ATOM 1204 NH2 ARG A 74 -5.291 17.503 5.218 1.00 0.00 N ATOM 0 H ARG A 74 -3.486 12.218 0.095 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.810 11.501 1.400 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.381 13.838 0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.945 14.119 0.070 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.843 14.590 2.068 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.408 13.003 2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.598 13.786 3.807 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.106 14.842 2.499 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.484 15.882 3.757 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.009 15.463 4.219 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -2.864 16.864 5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.291 17.680 5.126 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.716 18.115 5.797 1.00 0.00 H new ATOM 1218 N GLY A 75 -7.729 11.229 -0.131 1.00 0.00 N ATOM 1219 CA GLY A 75 -8.825 10.972 -1.045 1.00 0.00 C ATOM 1220 C GLY A 75 -8.592 9.743 -1.903 1.00 0.00 C ATOM 1221 O GLY A 75 -8.580 8.619 -1.398 1.00 0.00 O ATOM 0 H GLY A 75 -7.886 10.911 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.746 10.844 -0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.967 11.839 -1.690 1.00 0.00 H new ATOM 1225 N GLY A 76 -8.404 9.955 -3.200 1.00 0.00 N ATOM 1226 CA GLY A 76 -8.172 8.847 -4.108 1.00 0.00 C ATOM 1227 C GLY A 76 -9.462 8.257 -4.645 1.00 0.00 C ATOM 1228 O GLY A 76 -10.430 9.023 -4.839 1.00 0.00 O ATOM 1229 OXT GLY A 76 -9.504 7.030 -4.873 1.00 0.00 O ATOM 0 H GLY A 76 -8.408 10.875 -3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.557 9.187 -4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.608 8.070 -3.592 1.00 0.00 H new TER 1233 GLY A 76