USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 158:sc= -0.0564 (180deg=-0.514) USER MOD Single : A 15 MET CE :methyl -174:sc= -0.65 (180deg=-0.71) USER MOD Single : A 16 MET CE :methyl 154:sc= 0 (180deg=-0.0195) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc=-0.00271 (180deg=-0.266) USER MOD Single : A 22 ASN : amide:sc= -1.39 K(o=-1.4,f=0.12) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 159:sc= -0.0535 (180deg=-0.57) USER MOD Single : A 34 HIS : no HE2:sc= -0.0976 K(o=-0.098,f=-0.69) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -109:sc= 0.84 (180deg=-3.44!) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0257 (180deg=-0.321) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 -13.125 -9.326 -11.324 1.00 0.00 N ATOM 2 CA ILE A 5 -12.451 -8.699 -12.495 1.00 0.00 C ATOM 3 C ILE A 5 -11.218 -7.911 -11.962 1.00 0.00 C ATOM 4 O ILE A 5 -10.832 -6.872 -12.506 1.00 0.00 O ATOM 5 CB ILE A 5 -13.483 -7.718 -13.288 1.00 0.00 C ATOM 6 CG1 ILE A 5 -14.879 -8.501 -13.570 1.00 0.00 C ATOM 7 CG2 ILE A 5 -12.848 -7.253 -14.697 1.00 0.00 C ATOM 8 CD1 ILE A 5 -16.014 -7.522 -14.032 1.00 0.00 C ATOM 0 HA ILE A 5 -12.126 -9.459 -13.205 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.668 -6.840 -12.670 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -14.721 -9.261 -14.335 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -15.193 -9.020 -12.665 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -13.550 -6.598 -15.214 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -11.917 -6.716 -14.517 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -12.648 -8.130 -15.313 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -16.930 -8.085 -14.210 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -16.191 -6.778 -13.256 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -15.711 -7.022 -14.952 1.00 0.00 H new ATOM 20 N MET A 6 -10.601 -8.448 -10.849 1.00 0.00 N ATOM 21 CA MET A 6 -9.414 -7.810 -10.192 1.00 0.00 C ATOM 22 C MET A 6 -9.673 -6.282 -10.008 1.00 0.00 C ATOM 23 O MET A 6 -8.736 -5.485 -9.941 1.00 0.00 O ATOM 24 CB MET A 6 -8.134 -8.054 -11.103 1.00 0.00 C ATOM 25 CG MET A 6 -7.782 -9.592 -11.167 1.00 0.00 C ATOM 26 SD MET A 6 -6.317 -9.858 -12.227 1.00 0.00 S ATOM 27 CE MET A 6 -6.331 -11.678 -12.229 1.00 0.00 C ATOM 0 H MET A 6 -10.908 -9.311 -10.399 1.00 0.00 H new ATOM 0 HA MET A 6 -9.246 -8.250 -9.209 1.00 0.00 H new ATOM 0 HB2 MET A 6 -8.319 -7.676 -12.108 1.00 0.00 H new ATOM 0 HB3 MET A 6 -7.286 -7.498 -10.704 1.00 0.00 H new ATOM 0 HG2 MET A 6 -7.588 -9.971 -10.163 1.00 0.00 H new ATOM 0 HG3 MET A 6 -8.631 -10.151 -11.560 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.501 -12.048 -12.831 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.229 -12.044 -11.207 1.00 0.00 H new ATOM 0 HE3 MET A 6 -7.271 -12.034 -12.650 1.00 0.00 H new ATOM 37 N GLN A 7 -10.991 -5.898 -9.984 1.00 0.00 N ATOM 38 CA GLN A 7 -11.409 -4.483 -9.879 1.00 0.00 C ATOM 39 C GLN A 7 -10.849 -3.858 -8.583 1.00 0.00 C ATOM 40 O GLN A 7 -10.312 -2.741 -8.596 1.00 0.00 O ATOM 41 CB GLN A 7 -13.003 -4.388 -9.911 1.00 0.00 C ATOM 42 CG GLN A 7 -13.490 -2.865 -9.936 1.00 0.00 C ATOM 43 CD GLN A 7 -15.032 -2.737 -9.938 1.00 0.00 C ATOM 44 OE1 GLN A 7 -15.755 -3.685 -10.260 1.00 0.00 O ATOM 45 NE2 GLN A 7 -15.566 -1.591 -9.589 1.00 0.00 N ATOM 0 H GLN A 7 -11.769 -6.556 -10.036 1.00 0.00 H new ATOM 0 HA GLN A 7 -11.010 -3.926 -10.726 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -13.384 -4.909 -10.790 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -13.418 -4.891 -9.038 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.086 -2.343 -9.068 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.086 -2.372 -10.820 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -14.967 -0.809 -9.323 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -16.580 -1.482 -9.583 1.00 0.00 H new ATOM 54 N ALA A 8 -10.970 -4.615 -7.468 1.00 0.00 N ATOM 55 CA ALA A 8 -10.469 -4.167 -6.145 1.00 0.00 C ATOM 56 C ALA A 8 -8.937 -3.912 -6.210 1.00 0.00 C ATOM 57 O ALA A 8 -8.459 -2.850 -5.796 1.00 0.00 O ATOM 58 CB ALA A 8 -10.793 -5.278 -5.072 1.00 0.00 C ATOM 0 H ALA A 8 -11.408 -5.536 -7.456 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.959 -3.235 -5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.429 -4.958 -4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.871 -5.434 -5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.304 -6.210 -5.354 1.00 0.00 H new ATOM 64 N LYS A 9 -8.180 -4.915 -6.747 1.00 0.00 N ATOM 65 CA LYS A 9 -6.694 -4.831 -6.880 1.00 0.00 C ATOM 66 C LYS A 9 -6.282 -3.722 -7.871 1.00 0.00 C ATOM 67 O LYS A 9 -5.303 -2.991 -7.645 1.00 0.00 O ATOM 68 CB LYS A 9 -6.136 -6.219 -7.356 1.00 0.00 C ATOM 69 CG LYS A 9 -6.380 -7.334 -6.249 1.00 0.00 C ATOM 70 CD LYS A 9 -5.813 -8.741 -6.728 1.00 0.00 C ATOM 71 CE LYS A 9 -6.041 -9.843 -5.632 1.00 0.00 C ATOM 72 NZ LYS A 9 -5.489 -11.128 -6.134 1.00 0.00 N ATOM 0 H LYS A 9 -8.575 -5.789 -7.094 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.271 -4.579 -5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.622 -6.512 -8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.070 -6.135 -7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.896 -7.040 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.447 -7.419 -6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.303 -9.038 -7.655 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.748 -8.653 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.551 -9.558 -4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.104 -9.947 -5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.632 -11.870 -5.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.976 -11.395 -7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.472 -11.019 -6.322 1.00 0.00 H new ATOM 86 N GLU A 10 -7.035 -3.622 -8.988 1.00 0.00 N ATOM 87 CA GLU A 10 -6.760 -2.623 -10.038 1.00 0.00 C ATOM 88 C GLU A 10 -6.966 -1.195 -9.452 1.00 0.00 C ATOM 89 O GLU A 10 -6.206 -0.277 -9.726 1.00 0.00 O ATOM 90 CB GLU A 10 -7.717 -2.883 -11.281 1.00 0.00 C ATOM 91 CG GLU A 10 -7.431 -1.856 -12.466 1.00 0.00 C ATOM 92 CD GLU A 10 -8.331 -2.107 -13.711 1.00 0.00 C ATOM 93 OE1 GLU A 10 -8.946 -3.162 -13.799 1.00 0.00 O ATOM 94 OE2 GLU A 10 -8.374 -1.227 -14.559 1.00 0.00 O ATOM 0 H GLU A 10 -7.837 -4.221 -9.184 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.729 -2.708 -10.381 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.578 -3.903 -11.641 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.757 -2.795 -10.965 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.591 -0.840 -12.106 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.384 -1.929 -12.759 1.00 0.00 H new ATOM 101 N ASP A 11 -8.010 -1.054 -8.625 1.00 0.00 N ATOM 102 CA ASP A 11 -8.331 0.237 -7.963 1.00 0.00 C ATOM 103 C ASP A 11 -7.305 0.509 -6.825 1.00 0.00 C ATOM 104 O ASP A 11 -7.020 1.667 -6.498 1.00 0.00 O ATOM 105 CB ASP A 11 -9.807 0.197 -7.397 1.00 0.00 C ATOM 106 CG ASP A 11 -10.861 0.123 -8.543 1.00 0.00 C ATOM 107 OD1 ASP A 11 -10.504 0.328 -9.698 1.00 0.00 O ATOM 108 OD2 ASP A 11 -12.012 -0.133 -8.233 1.00 0.00 O ATOM 0 H ASP A 11 -8.652 -1.812 -8.392 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.266 1.048 -8.689 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.922 -0.665 -6.740 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.989 1.085 -6.792 1.00 0.00 H new ATOM 113 N PHE A 12 -6.772 -0.588 -6.221 1.00 0.00 N ATOM 114 CA PHE A 12 -5.791 -0.479 -5.106 1.00 0.00 C ATOM 115 C PHE A 12 -4.409 0.070 -5.583 1.00 0.00 C ATOM 116 O PHE A 12 -3.898 1.040 -5.035 1.00 0.00 O ATOM 117 CB PHE A 12 -5.574 -1.897 -4.450 1.00 0.00 C ATOM 118 CG PHE A 12 -4.751 -1.723 -3.127 1.00 0.00 C ATOM 119 CD1 PHE A 12 -5.424 -1.434 -1.909 1.00 0.00 C ATOM 120 CD2 PHE A 12 -3.327 -1.776 -3.141 1.00 0.00 C ATOM 121 CE1 PHE A 12 -4.694 -1.218 -0.736 1.00 0.00 C ATOM 122 CE2 PHE A 12 -2.606 -1.547 -1.957 1.00 0.00 C ATOM 123 CZ PHE A 12 -3.287 -1.271 -0.756 1.00 0.00 C ATOM 0 H PHE A 12 -7.002 -1.547 -6.484 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.203 0.224 -4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.535 -2.365 -4.237 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.045 -2.555 -5.140 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.503 -1.381 -1.889 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.803 -1.992 -4.060 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.211 -1.010 0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.527 -1.583 -1.968 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.729 -1.099 0.152 1.00 0.00 H new ATOM 133 N LYS A 13 -3.812 -0.596 -6.600 1.00 0.00 N ATOM 134 CA LYS A 13 -2.469 -0.217 -7.142 1.00 0.00 C ATOM 135 C LYS A 13 -2.501 1.218 -7.707 1.00 0.00 C ATOM 136 O LYS A 13 -1.602 2.023 -7.471 1.00 0.00 O ATOM 137 CB LYS A 13 -2.045 -1.286 -8.258 1.00 0.00 C ATOM 138 CG LYS A 13 -3.007 -1.211 -9.525 1.00 0.00 C ATOM 139 CD LYS A 13 -2.750 -2.386 -10.574 1.00 0.00 C ATOM 140 CE LYS A 13 -1.308 -2.349 -11.182 1.00 0.00 C ATOM 141 NZ LYS A 13 -1.260 -3.286 -12.342 1.00 0.00 N ATOM 0 H LYS A 13 -4.233 -1.399 -7.067 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.726 -0.228 -6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.016 -1.103 -8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.076 -2.290 -7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.043 -1.251 -9.190 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.869 -0.251 -10.022 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.908 -3.346 -10.083 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.481 -2.315 -11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.057 -1.337 -11.501 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.573 -2.638 -10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.307 -3.274 -12.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.485 -4.249 -12.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.954 -2.989 -13.057 1.00 0.00 H new ATOM 155 N LYS A 14 -3.588 1.515 -8.466 1.00 0.00 N ATOM 156 CA LYS A 14 -3.783 2.844 -9.097 1.00 0.00 C ATOM 157 C LYS A 14 -3.836 3.914 -8.034 1.00 0.00 C ATOM 158 O LYS A 14 -3.235 4.978 -8.193 1.00 0.00 O ATOM 159 CB LYS A 14 -5.130 2.878 -9.942 1.00 0.00 C ATOM 160 CG LYS A 14 -5.018 2.012 -11.279 1.00 0.00 C ATOM 161 CD LYS A 14 -6.392 2.017 -12.115 1.00 0.00 C ATOM 162 CE LYS A 14 -6.589 3.365 -12.912 1.00 0.00 C ATOM 163 NZ LYS A 14 -5.493 3.484 -13.910 1.00 0.00 N ATOM 0 H LYS A 14 -4.340 0.853 -8.655 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.943 3.029 -9.767 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.950 2.499 -9.332 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.372 3.910 -10.197 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.214 2.406 -11.900 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.751 0.986 -11.025 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.396 1.179 -12.812 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.231 1.871 -11.435 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.558 3.373 -13.410 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.575 4.215 -12.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.785 4.129 -14.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.641 3.859 -13.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.285 2.547 -14.311 1.00 0.00 H new ATOM 177 N MET A 15 -4.553 3.613 -6.922 1.00 0.00 N ATOM 178 CA MET A 15 -4.673 4.568 -5.811 1.00 0.00 C ATOM 179 C MET A 15 -3.266 4.874 -5.234 1.00 0.00 C ATOM 180 O MET A 15 -2.944 6.014 -4.990 1.00 0.00 O ATOM 181 CB MET A 15 -5.637 4.003 -4.683 1.00 0.00 C ATOM 182 CG MET A 15 -5.820 5.043 -3.486 1.00 0.00 C ATOM 183 SD MET A 15 -6.567 6.593 -4.125 1.00 0.00 S ATOM 184 CE MET A 15 -6.488 7.610 -2.636 1.00 0.00 C ATOM 0 H MET A 15 -5.045 2.731 -6.779 1.00 0.00 H new ATOM 0 HA MET A 15 -5.110 5.494 -6.185 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.610 3.774 -5.117 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.233 3.068 -4.294 1.00 0.00 H new ATOM 0 HG2 MET A 15 -6.456 4.613 -2.712 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.855 5.255 -3.025 1.00 0.00 H new ATOM 0 HE1 MET A 15 -6.999 8.556 -2.814 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.971 7.086 -1.811 1.00 0.00 H new ATOM 0 HE3 MET A 15 -5.446 7.803 -2.382 1.00 0.00 H new ATOM 194 N MET A 16 -2.448 3.821 -5.046 1.00 0.00 N ATOM 195 CA MET A 16 -1.055 3.956 -4.488 1.00 0.00 C ATOM 196 C MET A 16 -0.135 4.831 -5.407 1.00 0.00 C ATOM 197 O MET A 16 0.671 5.633 -4.904 1.00 0.00 O ATOM 198 CB MET A 16 -0.438 2.502 -4.286 1.00 0.00 C ATOM 199 CG MET A 16 -1.243 1.667 -3.195 1.00 0.00 C ATOM 200 SD MET A 16 -1.010 2.356 -1.505 1.00 0.00 S ATOM 201 CE MET A 16 0.526 1.497 -1.012 1.00 0.00 C ATOM 0 H MET A 16 -2.712 2.861 -5.267 1.00 0.00 H new ATOM 0 HA MET A 16 -1.113 4.470 -3.528 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.450 1.967 -5.235 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.605 2.588 -3.981 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.304 1.668 -3.446 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.912 0.629 -3.214 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.054 2.094 -0.268 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.279 0.524 -0.587 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.163 1.360 -1.886 1.00 0.00 H new ATOM 211 N GLU A 17 -0.262 4.668 -6.738 1.00 0.00 N ATOM 212 CA GLU A 17 0.562 5.442 -7.732 1.00 0.00 C ATOM 213 C GLU A 17 0.246 6.954 -7.692 1.00 0.00 C ATOM 214 O GLU A 17 1.155 7.795 -7.549 1.00 0.00 O ATOM 215 CB GLU A 17 0.231 4.875 -9.172 1.00 0.00 C ATOM 216 CG GLU A 17 0.779 3.410 -9.355 1.00 0.00 C ATOM 217 CD GLU A 17 2.333 3.378 -9.384 1.00 0.00 C ATOM 218 OE1 GLU A 17 2.896 4.089 -10.198 1.00 0.00 O ATOM 219 OE2 GLU A 17 2.919 2.659 -8.586 1.00 0.00 O ATOM 0 H GLU A 17 -0.919 4.015 -7.164 1.00 0.00 H new ATOM 0 HA GLU A 17 1.618 5.325 -7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.848 4.883 -9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.668 5.525 -9.930 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.417 2.782 -8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.389 2.988 -10.281 1.00 0.00 H new ATOM 226 N GLU A 18 -1.049 7.278 -7.833 1.00 0.00 N ATOM 227 CA GLU A 18 -1.525 8.693 -7.831 1.00 0.00 C ATOM 228 C GLU A 18 -1.459 9.312 -6.413 1.00 0.00 C ATOM 229 O GLU A 18 -1.470 10.541 -6.264 1.00 0.00 O ATOM 230 CB GLU A 18 -3.026 8.762 -8.386 1.00 0.00 C ATOM 231 CG GLU A 18 -4.042 8.034 -7.402 1.00 0.00 C ATOM 232 CD GLU A 18 -5.496 8.035 -7.962 1.00 0.00 C ATOM 233 OE1 GLU A 18 -6.069 9.110 -8.060 1.00 0.00 O ATOM 234 OE2 GLU A 18 -6.009 6.962 -8.264 1.00 0.00 O ATOM 0 H GLU A 18 -1.793 6.590 -7.950 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.867 9.270 -8.480 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.322 9.804 -8.512 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.073 8.296 -9.370 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.716 7.007 -7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.026 8.531 -6.432 1.00 0.00 H new ATOM 241 N ALA A 19 -1.398 8.430 -5.368 1.00 0.00 N ATOM 242 CA ALA A 19 -1.353 8.881 -3.933 1.00 0.00 C ATOM 243 C ALA A 19 0.083 9.139 -3.515 1.00 0.00 C ATOM 244 O ALA A 19 0.340 9.327 -2.322 1.00 0.00 O ATOM 245 CB ALA A 19 -1.975 7.775 -2.984 1.00 0.00 C ATOM 0 H ALA A 19 -1.379 7.417 -5.486 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.934 9.799 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.934 8.118 -1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.012 7.595 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.407 6.850 -3.082 1.00 0.00 H new ATOM 251 N LYS A 20 1.036 9.052 -4.510 1.00 0.00 N ATOM 252 CA LYS A 20 2.508 9.164 -4.242 1.00 0.00 C ATOM 253 C LYS A 20 2.725 9.943 -2.936 1.00 0.00 C ATOM 254 O LYS A 20 2.289 11.091 -2.820 1.00 0.00 O ATOM 255 CB LYS A 20 3.239 9.898 -5.458 1.00 0.00 C ATOM 256 CG LYS A 20 4.851 9.747 -5.394 1.00 0.00 C ATOM 257 CD LYS A 20 5.356 8.351 -6.008 1.00 0.00 C ATOM 258 CE LYS A 20 6.915 8.166 -5.797 1.00 0.00 C ATOM 259 NZ LYS A 20 7.177 8.033 -4.339 1.00 0.00 N ATOM 0 H LYS A 20 0.807 8.906 -5.493 1.00 0.00 H new ATOM 0 HA LYS A 20 2.935 8.166 -4.142 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.876 9.485 -6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.976 10.956 -5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.313 10.570 -5.939 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.181 9.826 -4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.822 7.527 -5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.123 8.313 -7.072 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.268 7.282 -6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.457 9.020 -6.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.131 7.646 -4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.109 8.967 -3.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.475 7.393 -3.917 1.00 0.00 H new ATOM 273 N PHE A 21 3.324 9.260 -1.941 1.00 0.00 N ATOM 274 CA PHE A 21 3.536 9.811 -0.588 1.00 0.00 C ATOM 275 C PHE A 21 4.952 9.503 -0.136 1.00 0.00 C ATOM 276 O PHE A 21 5.680 8.776 -0.826 1.00 0.00 O ATOM 277 CB PHE A 21 2.453 9.178 0.380 1.00 0.00 C ATOM 278 CG PHE A 21 2.610 7.594 0.420 1.00 0.00 C ATOM 279 CD1 PHE A 21 2.012 6.776 -0.587 1.00 0.00 C ATOM 280 CD2 PHE A 21 3.364 6.968 1.445 1.00 0.00 C ATOM 281 CE1 PHE A 21 2.177 5.373 -0.563 1.00 0.00 C ATOM 282 CE2 PHE A 21 3.519 5.562 1.464 1.00 0.00 C ATOM 283 CZ PHE A 21 2.930 4.769 0.459 1.00 0.00 C ATOM 0 H PHE A 21 3.675 8.309 -2.053 1.00 0.00 H new ATOM 0 HA PHE A 21 3.419 10.895 -0.579 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.568 9.588 1.384 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.452 9.443 0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.429 7.234 -1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.823 7.569 2.216 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.724 4.764 -1.331 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.091 5.095 2.252 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.057 3.697 0.474 1.00 0.00 H new ATOM 293 N ASN A 22 5.346 10.074 1.020 1.00 0.00 N ATOM 294 CA ASN A 22 6.708 9.875 1.586 1.00 0.00 C ATOM 295 C ASN A 22 7.100 8.318 1.564 1.00 0.00 C ATOM 296 O ASN A 22 6.361 7.503 2.124 1.00 0.00 O ATOM 297 CB ASN A 22 6.721 10.452 3.042 1.00 0.00 C ATOM 298 CG ASN A 22 6.489 11.981 2.999 1.00 0.00 C ATOM 299 OD1 ASN A 22 7.434 12.766 3.124 1.00 0.00 O ATOM 300 ND2 ASN A 22 5.283 12.436 2.804 1.00 0.00 N ATOM 0 H ASN A 22 4.746 10.677 1.584 1.00 0.00 H new ATOM 0 HA ASN A 22 7.451 10.399 0.985 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.945 9.973 3.640 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.675 10.232 3.522 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.119 13.442 2.754 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.503 11.786 2.701 1.00 0.00 H new ATOM 307 N PRO A 23 8.216 7.894 0.873 1.00 0.00 N ATOM 308 CA PRO A 23 8.604 6.413 0.757 1.00 0.00 C ATOM 309 C PRO A 23 9.071 5.811 2.103 1.00 0.00 C ATOM 310 O PRO A 23 9.098 4.577 2.263 1.00 0.00 O ATOM 311 CB PRO A 23 9.762 6.426 -0.322 1.00 0.00 C ATOM 312 CG PRO A 23 10.401 7.793 -0.174 1.00 0.00 C ATOM 313 CD PRO A 23 9.232 8.764 0.156 1.00 0.00 C ATOM 0 HA PRO A 23 7.761 5.783 0.472 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.483 5.629 -0.141 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.369 6.278 -1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.148 7.793 0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.911 8.089 -1.091 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.565 9.589 0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.812 9.204 -0.749 1.00 0.00 H new ATOM 321 N ARG A 24 9.454 6.705 3.048 1.00 0.00 N ATOM 322 CA ARG A 24 9.957 6.312 4.397 1.00 0.00 C ATOM 323 C ARG A 24 8.799 6.167 5.410 1.00 0.00 C ATOM 324 O ARG A 24 9.020 5.731 6.550 1.00 0.00 O ATOM 325 CB ARG A 24 11.031 7.379 4.876 1.00 0.00 C ATOM 326 CG ARG A 24 10.368 8.834 4.997 1.00 0.00 C ATOM 327 CD ARG A 24 11.386 9.906 5.537 1.00 0.00 C ATOM 328 NE ARG A 24 10.684 11.221 5.670 1.00 0.00 N ATOM 329 CZ ARG A 24 9.835 11.518 6.706 1.00 0.00 C ATOM 330 NH1 ARG A 24 9.552 10.633 7.641 1.00 0.00 N ATOM 331 NH2 ARG A 24 9.272 12.695 6.754 1.00 0.00 N ATOM 0 H ARG A 24 9.425 7.714 2.902 1.00 0.00 H new ATOM 0 HA ARG A 24 10.434 5.334 4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.443 7.080 5.840 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.861 7.409 4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.998 9.146 4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.507 8.785 5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.786 9.593 6.502 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.232 9.998 4.856 1.00 0.00 H new ATOM 0 HE ARG A 24 10.845 11.931 4.956 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.968 9.702 7.605 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.918 10.879 8.401 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.465 13.383 6.026 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.639 12.927 7.520 1.00 0.00 H new ATOM 345 N ALA A 25 7.555 6.506 4.977 1.00 0.00 N ATOM 346 CA ALA A 25 6.360 6.373 5.845 1.00 0.00 C ATOM 347 C ALA A 25 6.075 4.879 6.019 1.00 0.00 C ATOM 348 O ALA A 25 6.469 4.069 5.170 1.00 0.00 O ATOM 349 CB ALA A 25 5.125 7.090 5.210 1.00 0.00 C ATOM 0 H ALA A 25 7.358 6.868 4.044 1.00 0.00 H new ATOM 0 HA ALA A 25 6.548 6.843 6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.262 6.978 5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.346 8.149 5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.904 6.644 4.240 1.00 0.00 H new ATOM 355 N THR A 26 5.413 4.537 7.129 1.00 0.00 N ATOM 356 CA THR A 26 5.060 3.152 7.457 1.00 0.00 C ATOM 357 C THR A 26 3.615 2.910 7.039 1.00 0.00 C ATOM 358 O THR A 26 2.852 3.862 6.802 1.00 0.00 O ATOM 359 CB THR A 26 5.247 2.934 9.016 1.00 0.00 C ATOM 360 OG1 THR A 26 6.544 3.383 9.372 1.00 0.00 O ATOM 361 CG2 THR A 26 5.096 1.416 9.455 1.00 0.00 C ATOM 0 H THR A 26 5.106 5.215 7.827 1.00 0.00 H new ATOM 0 HA THR A 26 5.702 2.447 6.929 1.00 0.00 H new ATOM 0 HB THR A 26 4.463 3.495 9.525 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.680 3.259 10.334 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.235 1.333 10.533 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.102 1.057 9.189 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.848 0.813 8.945 1.00 0.00 H new ATOM 369 N PHE A 27 3.246 1.631 6.979 1.00 0.00 N ATOM 370 CA PHE A 27 1.886 1.194 6.633 1.00 0.00 C ATOM 371 C PHE A 27 0.854 1.746 7.652 1.00 0.00 C ATOM 372 O PHE A 27 -0.219 2.202 7.268 1.00 0.00 O ATOM 373 CB PHE A 27 1.832 -0.376 6.612 1.00 0.00 C ATOM 374 CG PHE A 27 0.340 -0.844 6.417 1.00 0.00 C ATOM 375 CD1 PHE A 27 -0.317 -0.606 5.185 1.00 0.00 C ATOM 376 CD2 PHE A 27 -0.388 -1.449 7.487 1.00 0.00 C ATOM 377 CE1 PHE A 27 -1.654 -0.965 5.018 1.00 0.00 C ATOM 378 CE2 PHE A 27 -1.732 -1.812 7.304 1.00 0.00 C ATOM 379 CZ PHE A 27 -2.365 -1.570 6.074 1.00 0.00 C ATOM 0 H PHE A 27 3.885 0.859 7.170 1.00 0.00 H new ATOM 0 HA PHE A 27 1.632 1.583 5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.455 -0.762 5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.232 -0.777 7.543 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.221 -0.144 4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.095 -1.627 8.436 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.147 -0.779 4.075 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.280 -2.278 8.110 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.399 -1.848 5.937 1.00 0.00 H new ATOM 389 N SER A 28 1.198 1.662 8.952 1.00 0.00 N ATOM 390 CA SER A 28 0.307 2.123 10.053 1.00 0.00 C ATOM 391 C SER A 28 -0.019 3.617 9.889 1.00 0.00 C ATOM 392 O SER A 28 -1.171 4.031 10.072 1.00 0.00 O ATOM 393 CB SER A 28 1.002 1.861 11.430 1.00 0.00 C ATOM 394 OG SER A 28 1.212 0.465 11.583 1.00 0.00 O ATOM 0 H SER A 28 2.087 1.279 9.273 1.00 0.00 H new ATOM 0 HA SER A 28 -0.629 1.566 10.014 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.952 2.392 11.479 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.382 2.240 12.243 1.00 0.00 H new ATOM 0 HG SER A 28 1.649 0.292 12.443 1.00 0.00 H new ATOM 400 N GLU A 29 1.000 4.411 9.509 1.00 0.00 N ATOM 401 CA GLU A 29 0.830 5.856 9.282 1.00 0.00 C ATOM 402 C GLU A 29 -0.020 6.114 7.995 1.00 0.00 C ATOM 403 O GLU A 29 -0.958 6.930 8.000 1.00 0.00 O ATOM 404 CB GLU A 29 2.269 6.525 9.148 1.00 0.00 C ATOM 405 CG GLU A 29 2.149 8.091 8.924 1.00 0.00 C ATOM 406 CD GLU A 29 3.535 8.785 8.818 1.00 0.00 C ATOM 407 OE1 GLU A 29 4.363 8.302 8.067 1.00 0.00 O ATOM 408 OE2 GLU A 29 3.732 9.793 9.488 1.00 0.00 O ATOM 0 H GLU A 29 1.950 4.074 9.353 1.00 0.00 H new ATOM 0 HA GLU A 29 0.298 6.299 10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.852 6.326 10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.807 6.075 8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.580 8.282 8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.588 8.531 9.749 1.00 0.00 H new ATOM 415 N PHE A 30 0.326 5.398 6.898 1.00 0.00 N ATOM 416 CA PHE A 30 -0.389 5.530 5.598 1.00 0.00 C ATOM 417 C PHE A 30 -1.872 5.064 5.721 1.00 0.00 C ATOM 418 O PHE A 30 -2.798 5.726 5.222 1.00 0.00 O ATOM 419 CB PHE A 30 0.361 4.672 4.512 1.00 0.00 C ATOM 420 CG PHE A 30 -0.360 4.865 3.120 1.00 0.00 C ATOM 421 CD1 PHE A 30 -0.116 6.039 2.360 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.326 3.920 2.651 1.00 0.00 C ATOM 423 CE1 PHE A 30 -0.813 6.266 1.162 1.00 0.00 C ATOM 424 CE2 PHE A 30 -2.009 4.153 1.441 1.00 0.00 C ATOM 425 CZ PHE A 30 -1.757 5.326 0.699 1.00 0.00 C ATOM 0 H PHE A 30 1.092 4.725 6.884 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.395 6.579 5.303 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.404 4.981 4.442 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.358 3.619 4.795 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.609 6.761 2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.532 3.028 3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.625 7.164 0.593 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.727 3.432 1.081 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.288 5.504 -0.225 1.00 0.00 H new ATOM 435 N ALA A 31 -2.063 3.904 6.385 1.00 0.00 N ATOM 436 CA ALA A 31 -3.400 3.296 6.596 1.00 0.00 C ATOM 437 C ALA A 31 -4.263 4.206 7.492 1.00 0.00 C ATOM 438 O ALA A 31 -5.438 4.366 7.241 1.00 0.00 O ATOM 439 CB ALA A 31 -3.225 1.894 7.260 1.00 0.00 C ATOM 0 H ALA A 31 -1.299 3.362 6.790 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.903 3.183 5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.204 1.441 7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.630 1.254 6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.718 2.006 8.218 1.00 0.00 H new ATOM 445 N ALA A 32 -3.637 4.808 8.529 1.00 0.00 N ATOM 446 CA ALA A 32 -4.344 5.725 9.478 1.00 0.00 C ATOM 447 C ALA A 32 -4.965 6.909 8.702 1.00 0.00 C ATOM 448 O ALA A 32 -6.082 7.359 9.016 1.00 0.00 O ATOM 449 CB ALA A 32 -3.328 6.278 10.550 1.00 0.00 C ATOM 0 H ALA A 32 -2.647 4.681 8.737 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.134 5.168 9.982 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.850 6.944 11.237 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.899 5.446 11.108 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.532 6.827 10.047 1.00 0.00 H new ATOM 455 N LYS A 33 -4.235 7.394 7.674 1.00 0.00 N ATOM 456 CA LYS A 33 -4.720 8.517 6.830 1.00 0.00 C ATOM 457 C LYS A 33 -5.904 8.072 5.902 1.00 0.00 C ATOM 458 O LYS A 33 -6.903 8.802 5.767 1.00 0.00 O ATOM 459 CB LYS A 33 -3.522 9.088 5.952 1.00 0.00 C ATOM 460 CG LYS A 33 -3.970 10.397 5.154 1.00 0.00 C ATOM 461 CD LYS A 33 -2.772 11.022 4.309 1.00 0.00 C ATOM 462 CE LYS A 33 -3.259 12.329 3.568 1.00 0.00 C ATOM 463 NZ LYS A 33 -3.689 13.307 4.608 1.00 0.00 N ATOM 0 H LYS A 33 -3.319 7.034 7.408 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.093 9.299 7.491 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.674 9.323 6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.187 8.326 5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.794 10.149 4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.343 11.141 5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.936 11.257 4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.411 10.295 3.582 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.456 12.746 2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.084 12.101 2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.675 14.267 4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.653 13.077 4.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.039 13.260 5.419 1.00 0.00 H new ATOM 477 N HIS A 34 -5.758 6.884 5.249 1.00 0.00 N ATOM 478 CA HIS A 34 -6.790 6.345 4.294 1.00 0.00 C ATOM 479 C HIS A 34 -7.746 5.376 5.012 1.00 0.00 C ATOM 480 O HIS A 34 -8.593 4.765 4.377 1.00 0.00 O ATOM 481 CB HIS A 34 -6.048 5.621 3.100 1.00 0.00 C ATOM 482 CG HIS A 34 -5.280 6.651 2.275 1.00 0.00 C ATOM 483 ND1 HIS A 34 -3.983 7.033 2.584 1.00 0.00 N ATOM 484 CD2 HIS A 34 -5.636 7.402 1.180 1.00 0.00 C ATOM 485 CE1 HIS A 34 -3.615 7.975 1.695 1.00 0.00 C ATOM 486 NE2 HIS A 34 -4.586 8.236 0.818 1.00 0.00 N ATOM 0 H HIS A 34 -4.944 6.280 5.360 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.391 7.167 3.905 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.363 4.867 3.488 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.771 5.102 2.471 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.412 6.667 3.346 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.590 7.351 0.676 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.650 8.461 1.692 1.00 0.00 H new ATOM 494 N ALA A 35 -7.554 5.205 6.343 1.00 0.00 N ATOM 495 CA ALA A 35 -8.371 4.252 7.169 1.00 0.00 C ATOM 496 C ALA A 35 -9.874 4.507 6.965 1.00 0.00 C ATOM 497 O ALA A 35 -10.680 3.560 6.972 1.00 0.00 O ATOM 498 CB ALA A 35 -8.021 4.417 8.708 1.00 0.00 C ATOM 0 H ALA A 35 -6.845 5.709 6.876 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.132 3.238 6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.620 3.720 9.294 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.963 4.207 8.865 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.239 5.437 9.023 1.00 0.00 H new ATOM 504 N LYS A 36 -10.238 5.804 6.809 1.00 0.00 N ATOM 505 CA LYS A 36 -11.650 6.224 6.628 1.00 0.00 C ATOM 506 C LYS A 36 -12.104 5.979 5.174 1.00 0.00 C ATOM 507 O LYS A 36 -13.306 6.027 4.888 1.00 0.00 O ATOM 508 CB LYS A 36 -11.766 7.758 6.963 1.00 0.00 C ATOM 509 CG LYS A 36 -11.396 8.050 8.482 1.00 0.00 C ATOM 510 CD LYS A 36 -11.481 9.617 8.819 1.00 0.00 C ATOM 511 CE LYS A 36 -10.327 10.451 8.133 1.00 0.00 C ATOM 512 NZ LYS A 36 -10.415 11.866 8.615 1.00 0.00 N ATOM 0 H LYS A 36 -9.573 6.577 6.805 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.288 5.642 7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.103 8.326 6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.781 8.100 6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.074 7.499 9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.389 7.687 8.688 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.447 10.003 8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.431 9.756 9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.354 10.026 8.380 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.425 10.413 7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.662 12.431 8.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.341 12.263 8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.303 11.888 9.649 1.00 0.00 H new ATOM 526 N ASP A 37 -11.132 5.709 4.250 1.00 0.00 N ATOM 527 CA ASP A 37 -11.461 5.452 2.822 1.00 0.00 C ATOM 528 C ASP A 37 -12.231 4.102 2.745 1.00 0.00 C ATOM 529 O ASP A 37 -11.837 3.136 3.394 1.00 0.00 O ATOM 530 CB ASP A 37 -10.133 5.410 1.942 1.00 0.00 C ATOM 531 CG ASP A 37 -10.441 5.469 0.417 1.00 0.00 C ATOM 532 OD1 ASP A 37 -11.525 5.071 0.024 1.00 0.00 O ATOM 533 OD2 ASP A 37 -9.575 5.918 -0.325 1.00 0.00 O ATOM 0 H ASP A 37 -10.136 5.665 4.467 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.083 6.254 2.424 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.491 6.248 2.215 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.579 4.498 2.165 1.00 0.00 H new ATOM 538 N SER A 38 -13.335 4.065 1.978 1.00 0.00 N ATOM 539 CA SER A 38 -14.176 2.842 1.828 1.00 0.00 C ATOM 540 C SER A 38 -13.372 1.698 1.136 1.00 0.00 C ATOM 541 O SER A 38 -13.638 0.506 1.349 1.00 0.00 O ATOM 542 CB SER A 38 -15.418 3.232 0.980 1.00 0.00 C ATOM 543 OG SER A 38 -14.973 3.725 -0.279 1.00 0.00 O ATOM 0 H SER A 38 -13.675 4.866 1.446 1.00 0.00 H new ATOM 0 HA SER A 38 -14.484 2.471 2.806 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.067 2.367 0.840 1.00 0.00 H new ATOM 0 HB3 SER A 38 -16.006 3.991 1.497 1.00 0.00 H new ATOM 0 HG SER A 38 -15.748 3.973 -0.825 1.00 0.00 H new ATOM 549 N ARG A 39 -12.376 2.114 0.325 1.00 0.00 N ATOM 550 CA ARG A 39 -11.457 1.195 -0.431 1.00 0.00 C ATOM 551 C ARG A 39 -10.519 0.458 0.520 1.00 0.00 C ATOM 552 O ARG A 39 -10.057 -0.655 0.221 1.00 0.00 O ATOM 553 CB ARG A 39 -10.622 2.029 -1.496 1.00 0.00 C ATOM 554 CG ARG A 39 -11.565 2.533 -2.680 1.00 0.00 C ATOM 555 CD ARG A 39 -10.766 3.408 -3.710 1.00 0.00 C ATOM 556 NE ARG A 39 -10.357 4.674 -3.053 1.00 0.00 N ATOM 557 CZ ARG A 39 -9.663 5.634 -3.687 1.00 0.00 C ATOM 558 NH1 ARG A 39 -9.280 5.462 -4.931 1.00 0.00 N ATOM 559 NH2 ARG A 39 -9.361 6.737 -3.054 1.00 0.00 N ATOM 0 H ARG A 39 -12.174 3.101 0.166 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.060 0.451 -0.951 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.152 2.884 -1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.820 1.412 -1.901 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.002 1.675 -3.190 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.390 3.114 -2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.888 2.866 -4.063 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.383 3.619 -4.583 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.614 4.822 -2.077 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.509 4.597 -5.420 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.753 6.194 -5.408 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.652 6.865 -2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.834 7.470 -3.529 1.00 0.00 H new ATOM 573 N PHE A 40 -10.232 1.086 1.672 1.00 0.00 N ATOM 574 CA PHE A 40 -9.360 0.483 2.682 1.00 0.00 C ATOM 575 C PHE A 40 -10.092 -0.735 3.339 1.00 0.00 C ATOM 576 O PHE A 40 -9.512 -1.812 3.524 1.00 0.00 O ATOM 577 CB PHE A 40 -8.978 1.563 3.757 1.00 0.00 C ATOM 578 CG PHE A 40 -7.952 0.947 4.756 1.00 0.00 C ATOM 579 CD1 PHE A 40 -6.604 0.794 4.358 1.00 0.00 C ATOM 580 CD2 PHE A 40 -8.365 0.468 6.039 1.00 0.00 C ATOM 581 CE1 PHE A 40 -5.687 0.196 5.215 1.00 0.00 C ATOM 582 CE2 PHE A 40 -7.436 -0.143 6.888 1.00 0.00 C ATOM 583 CZ PHE A 40 -6.101 -0.282 6.481 1.00 0.00 C ATOM 0 H PHE A 40 -10.592 2.007 1.922 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.442 0.123 2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.551 2.441 3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.869 1.895 4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.286 1.142 3.386 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.393 0.578 6.352 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.655 0.096 4.913 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.747 -0.507 7.856 1.00 0.00 H new ATOM 0 HZ PHE A 40 -5.386 -0.756 7.137 1.00 0.00 H new ATOM 593 N LYS A 41 -11.377 -0.477 3.727 1.00 0.00 N ATOM 594 CA LYS A 41 -12.243 -1.478 4.432 1.00 0.00 C ATOM 595 C LYS A 41 -12.748 -2.560 3.462 1.00 0.00 C ATOM 596 O LYS A 41 -13.246 -3.610 3.899 1.00 0.00 O ATOM 597 CB LYS A 41 -13.504 -0.754 5.086 1.00 0.00 C ATOM 598 CG LYS A 41 -13.071 0.561 5.860 1.00 0.00 C ATOM 599 CD LYS A 41 -14.298 1.172 6.701 1.00 0.00 C ATOM 600 CE LYS A 41 -13.848 2.462 7.474 1.00 0.00 C ATOM 601 NZ LYS A 41 -13.409 3.464 6.481 1.00 0.00 N ATOM 0 H LYS A 41 -11.838 0.418 3.563 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.636 -1.947 5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.225 -0.501 4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.003 -1.437 5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.243 0.335 6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.710 1.303 5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.122 1.412 6.030 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.668 0.429 7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.671 2.854 8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.037 2.229 8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.376 3.574 6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.677 3.148 5.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.864 4.377 6.684 1.00 0.00 H new ATOM 615 N ALA A 42 -12.603 -2.300 2.148 1.00 0.00 N ATOM 616 CA ALA A 42 -13.022 -3.241 1.083 1.00 0.00 C ATOM 617 C ALA A 42 -12.169 -4.524 1.160 1.00 0.00 C ATOM 618 O ALA A 42 -12.674 -5.633 0.911 1.00 0.00 O ATOM 619 CB ALA A 42 -12.864 -2.551 -0.308 1.00 0.00 C ATOM 0 H ALA A 42 -12.194 -1.436 1.793 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.068 -3.515 1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.172 -3.241 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.488 -1.658 -0.344 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.821 -2.271 -0.459 1.00 0.00 H new ATOM 625 N ILE A 43 -10.871 -4.355 1.524 1.00 0.00 N ATOM 626 CA ILE A 43 -9.940 -5.500 1.655 1.00 0.00 C ATOM 627 C ILE A 43 -10.091 -6.063 3.099 1.00 0.00 C ATOM 628 O ILE A 43 -9.899 -5.341 4.092 1.00 0.00 O ATOM 629 CB ILE A 43 -8.435 -5.035 1.396 1.00 0.00 C ATOM 630 CG1 ILE A 43 -8.335 -4.089 0.081 1.00 0.00 C ATOM 631 CG2 ILE A 43 -7.464 -6.299 1.266 1.00 0.00 C ATOM 632 CD1 ILE A 43 -8.927 -4.728 -1.209 1.00 0.00 C ATOM 0 H ILE A 43 -10.452 -3.448 1.729 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.177 -6.266 0.917 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.112 -4.447 2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.855 -3.152 0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.288 -3.842 -0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.444 -5.958 1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.498 -6.880 2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.787 -6.922 0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.821 -4.032 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.392 -5.650 -1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.983 -4.950 -1.054 1.00 0.00 H new ATOM 644 N GLU A 44 -10.464 -7.354 3.174 1.00 0.00 N ATOM 645 CA GLU A 44 -10.683 -8.075 4.439 1.00 0.00 C ATOM 646 C GLU A 44 -9.335 -8.495 5.059 1.00 0.00 C ATOM 647 O GLU A 44 -9.116 -8.346 6.276 1.00 0.00 O ATOM 648 CB GLU A 44 -11.562 -9.359 4.109 1.00 0.00 C ATOM 649 CG GLU A 44 -13.027 -8.946 3.622 1.00 0.00 C ATOM 650 CD GLU A 44 -13.904 -10.183 3.262 1.00 0.00 C ATOM 651 OE1 GLU A 44 -13.437 -11.309 3.415 1.00 0.00 O ATOM 652 OE2 GLU A 44 -15.025 -9.969 2.844 1.00 0.00 O ATOM 0 H GLU A 44 -10.623 -7.931 2.348 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.193 -7.435 5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.072 -9.950 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.635 -9.991 4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.519 -8.371 4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.947 -8.295 2.752 1.00 0.00 H new ATOM 659 N LYS A 45 -8.437 -9.059 4.190 1.00 0.00 N ATOM 660 CA LYS A 45 -7.107 -9.553 4.623 1.00 0.00 C ATOM 661 C LYS A 45 -6.194 -8.380 4.940 1.00 0.00 C ATOM 662 O LYS A 45 -5.973 -7.504 4.098 1.00 0.00 O ATOM 663 CB LYS A 45 -6.454 -10.438 3.474 1.00 0.00 C ATOM 664 CG LYS A 45 -7.313 -11.754 3.220 1.00 0.00 C ATOM 665 CD LYS A 45 -6.656 -12.661 2.080 1.00 0.00 C ATOM 666 CE LYS A 45 -7.503 -13.969 1.856 1.00 0.00 C ATOM 667 NZ LYS A 45 -8.872 -13.579 1.423 1.00 0.00 N ATOM 0 H LYS A 45 -8.618 -9.178 3.193 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.234 -10.162 5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.388 -9.857 2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.436 -10.710 3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.389 -12.326 4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.327 -11.479 2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.595 -12.097 1.149 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.636 -12.925 2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.033 -14.600 1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.549 -14.552 2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.355 -14.404 1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.410 -13.233 2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.809 -12.826 0.708 1.00 0.00 H new ATOM 681 N MET A 46 -5.659 -8.391 6.159 1.00 0.00 N ATOM 682 CA MET A 46 -4.746 -7.361 6.620 1.00 0.00 C ATOM 683 C MET A 46 -3.315 -7.626 6.085 1.00 0.00 C ATOM 684 O MET A 46 -2.559 -6.695 5.777 1.00 0.00 O ATOM 685 CB MET A 46 -4.785 -7.293 8.196 1.00 0.00 C ATOM 686 CG MET A 46 -3.888 -6.096 8.717 1.00 0.00 C ATOM 687 SD MET A 46 -4.012 -5.912 10.520 1.00 0.00 S ATOM 688 CE MET A 46 -2.943 -4.435 10.680 1.00 0.00 C ATOM 0 H MET A 46 -5.849 -9.116 6.851 1.00 0.00 H new ATOM 0 HA MET A 46 -5.058 -6.392 6.231 1.00 0.00 H new ATOM 0 HB2 MET A 46 -5.812 -7.161 8.536 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.428 -8.233 8.616 1.00 0.00 H new ATOM 0 HG2 MET A 46 -2.849 -6.270 8.438 1.00 0.00 H new ATOM 0 HG3 MET A 46 -4.197 -5.170 8.233 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.879 -4.144 11.728 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.946 -4.666 10.306 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.367 -3.615 10.101 1.00 0.00 H new ATOM 698 N LYS A 47 -2.959 -8.923 6.032 1.00 0.00 N ATOM 699 CA LYS A 47 -1.621 -9.385 5.599 1.00 0.00 C ATOM 700 C LYS A 47 -1.333 -8.980 4.140 1.00 0.00 C ATOM 701 O LYS A 47 -0.190 -8.632 3.791 1.00 0.00 O ATOM 702 CB LYS A 47 -1.542 -10.962 5.723 1.00 0.00 C ATOM 703 CG LYS A 47 -1.674 -11.429 7.242 1.00 0.00 C ATOM 704 CD LYS A 47 -1.594 -13.026 7.376 1.00 0.00 C ATOM 705 CE LYS A 47 -0.132 -13.571 7.142 1.00 0.00 C ATOM 706 NZ LYS A 47 -0.134 -15.048 7.350 1.00 0.00 N ATOM 0 H LYS A 47 -3.589 -9.683 6.288 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.876 -8.915 6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.336 -11.416 5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.596 -11.315 5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.880 -10.973 7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.620 -11.076 7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.936 -13.323 8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.270 -13.484 6.654 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.204 -13.332 6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.564 -13.093 7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.825 -15.421 7.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.439 -15.261 8.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.789 -15.493 6.675 1.00 0.00 H new ATOM 720 N ASP A 48 -2.381 -9.034 3.288 1.00 0.00 N ATOM 721 CA ASP A 48 -2.252 -8.680 1.858 1.00 0.00 C ATOM 722 C ASP A 48 -1.884 -7.183 1.719 1.00 0.00 C ATOM 723 O ASP A 48 -1.064 -6.814 0.878 1.00 0.00 O ATOM 724 CB ASP A 48 -3.595 -8.999 1.107 1.00 0.00 C ATOM 725 CG ASP A 48 -3.495 -8.648 -0.401 1.00 0.00 C ATOM 726 OD1 ASP A 48 -2.708 -9.285 -1.080 1.00 0.00 O ATOM 727 OD2 ASP A 48 -4.193 -7.742 -0.839 1.00 0.00 O ATOM 0 H ASP A 48 -3.321 -9.318 3.565 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.456 -9.273 1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.836 -10.056 1.221 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.410 -8.435 1.560 1.00 0.00 H new ATOM 732 N ARG A 49 -2.501 -6.329 2.570 1.00 0.00 N ATOM 733 CA ARG A 49 -2.233 -4.862 2.541 1.00 0.00 C ATOM 734 C ARG A 49 -0.775 -4.577 2.942 1.00 0.00 C ATOM 735 O ARG A 49 -0.099 -3.748 2.318 1.00 0.00 O ATOM 736 CB ARG A 49 -3.210 -4.113 3.524 1.00 0.00 C ATOM 737 CG ARG A 49 -4.692 -4.134 2.972 1.00 0.00 C ATOM 738 CD ARG A 49 -5.679 -3.397 3.951 1.00 0.00 C ATOM 739 NE ARG A 49 -5.829 -4.192 5.190 1.00 0.00 N ATOM 740 CZ ARG A 49 -6.716 -3.882 6.167 1.00 0.00 C ATOM 741 NH1 ARG A 49 -7.537 -2.891 6.010 1.00 0.00 N ATOM 742 NH2 ARG A 49 -6.769 -4.598 7.259 1.00 0.00 N ATOM 0 H ARG A 49 -3.178 -6.619 3.276 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.399 -4.500 1.526 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.177 -4.585 4.506 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.881 -3.082 3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.724 -3.656 1.993 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.016 -5.166 2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.299 -2.403 4.188 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.649 -3.262 3.473 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.236 -5.013 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.516 -2.343 5.150 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.204 -2.659 6.746 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.142 -5.393 7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.438 -4.362 7.992 1.00 0.00 H new ATOM 756 N GLU A 50 -0.304 -5.276 4.004 1.00 0.00 N ATOM 757 CA GLU A 50 1.081 -5.102 4.507 1.00 0.00 C ATOM 758 C GLU A 50 2.081 -5.586 3.422 1.00 0.00 C ATOM 759 O GLU A 50 3.104 -4.936 3.166 1.00 0.00 O ATOM 760 CB GLU A 50 1.272 -5.926 5.856 1.00 0.00 C ATOM 761 CG GLU A 50 2.708 -5.648 6.507 1.00 0.00 C ATOM 762 CD GLU A 50 2.909 -6.449 7.823 1.00 0.00 C ATOM 763 OE1 GLU A 50 3.208 -7.634 7.735 1.00 0.00 O ATOM 764 OE2 GLU A 50 2.768 -5.864 8.889 1.00 0.00 O ATOM 0 H GLU A 50 -0.856 -5.958 4.524 1.00 0.00 H new ATOM 0 HA GLU A 50 1.270 -4.050 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.490 -5.654 6.565 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.162 -6.991 5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.488 -5.917 5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.815 -4.582 6.710 1.00 0.00 H new ATOM 771 N ALA A 51 1.761 -6.745 2.789 1.00 0.00 N ATOM 772 CA ALA A 51 2.618 -7.341 1.723 1.00 0.00 C ATOM 773 C ALA A 51 2.791 -6.344 0.537 1.00 0.00 C ATOM 774 O ALA A 51 3.901 -6.096 0.078 1.00 0.00 O ATOM 775 CB ALA A 51 1.943 -8.672 1.208 1.00 0.00 C ATOM 0 H ALA A 51 0.921 -7.285 2.995 1.00 0.00 H new ATOM 0 HA ALA A 51 3.604 -7.558 2.135 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.562 -9.116 0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.844 -9.374 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.956 -8.447 0.804 1.00 0.00 H new ATOM 781 N LEU A 52 1.653 -5.770 0.085 1.00 0.00 N ATOM 782 CA LEU A 52 1.617 -4.776 -1.035 1.00 0.00 C ATOM 783 C LEU A 52 2.393 -3.509 -0.671 1.00 0.00 C ATOM 784 O LEU A 52 3.128 -2.951 -1.496 1.00 0.00 O ATOM 785 CB LEU A 52 0.098 -4.424 -1.337 1.00 0.00 C ATOM 786 CG LEU A 52 -0.685 -5.652 -2.043 1.00 0.00 C ATOM 787 CD1 LEU A 52 -2.254 -5.428 -1.962 1.00 0.00 C ATOM 788 CD2 LEU A 52 -0.245 -5.800 -3.574 1.00 0.00 C ATOM 0 H LEU A 52 0.734 -5.975 0.477 1.00 0.00 H new ATOM 0 HA LEU A 52 2.089 -5.205 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.405 -4.162 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.051 -3.547 -1.982 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.425 -6.567 -1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.766 -6.263 -2.441 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.559 -5.367 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.516 -4.501 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.784 -6.631 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.478 -4.880 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.827 -5.990 -3.628 1.00 0.00 H new ATOM 800 N PHE A 53 2.205 -3.054 0.577 1.00 0.00 N ATOM 801 CA PHE A 53 2.870 -1.838 1.080 1.00 0.00 C ATOM 802 C PHE A 53 4.419 -2.018 1.022 1.00 0.00 C ATOM 803 O PHE A 53 5.144 -1.133 0.574 1.00 0.00 O ATOM 804 CB PHE A 53 2.410 -1.570 2.552 1.00 0.00 C ATOM 805 CG PHE A 53 2.985 -0.183 3.017 1.00 0.00 C ATOM 806 CD1 PHE A 53 2.275 1.010 2.723 1.00 0.00 C ATOM 807 CD2 PHE A 53 4.243 -0.098 3.682 1.00 0.00 C ATOM 808 CE1 PHE A 53 2.799 2.250 3.091 1.00 0.00 C ATOM 809 CE2 PHE A 53 4.762 1.155 4.042 1.00 0.00 C ATOM 810 CZ PHE A 53 4.039 2.326 3.745 1.00 0.00 C ATOM 0 H PHE A 53 1.598 -3.509 1.259 1.00 0.00 H new ATOM 0 HA PHE A 53 2.596 -0.986 0.457 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.322 -1.567 2.613 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.764 -2.365 3.209 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.325 0.958 2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.796 -0.997 3.909 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.249 3.153 2.872 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.715 1.221 4.546 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.441 3.289 4.022 1.00 0.00 H new ATOM 820 N ASN A 54 4.891 -3.190 1.501 1.00 0.00 N ATOM 821 CA ASN A 54 6.352 -3.513 1.525 1.00 0.00 C ATOM 822 C ASN A 54 6.913 -3.550 0.072 1.00 0.00 C ATOM 823 O ASN A 54 8.008 -3.032 -0.203 1.00 0.00 O ATOM 824 CB ASN A 54 6.556 -4.917 2.214 1.00 0.00 C ATOM 825 CG ASN A 54 6.192 -4.871 3.721 1.00 0.00 C ATOM 826 OD1 ASN A 54 6.424 -3.864 4.395 1.00 0.00 O ATOM 827 ND2 ASN A 54 5.639 -5.915 4.282 1.00 0.00 N ATOM 0 H ASN A 54 4.295 -3.928 1.875 1.00 0.00 H new ATOM 0 HA ASN A 54 6.886 -2.747 2.087 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.939 -5.662 1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.593 -5.232 2.099 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.401 -5.895 5.274 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.446 -6.749 3.728 1.00 0.00 H new ATOM 834 N GLU A 55 6.112 -4.156 -0.853 1.00 0.00 N ATOM 835 CA GLU A 55 6.478 -4.261 -2.296 1.00 0.00 C ATOM 836 C GLU A 55 6.441 -2.876 -2.950 1.00 0.00 C ATOM 837 O GLU A 55 7.286 -2.558 -3.779 1.00 0.00 O ATOM 838 CB GLU A 55 5.473 -5.233 -3.049 1.00 0.00 C ATOM 839 CG GLU A 55 5.661 -6.741 -2.576 1.00 0.00 C ATOM 840 CD GLU A 55 4.620 -7.695 -3.231 1.00 0.00 C ATOM 841 OE1 GLU A 55 3.842 -7.247 -4.068 1.00 0.00 O ATOM 842 OE2 GLU A 55 4.636 -8.860 -2.882 1.00 0.00 O ATOM 0 H GLU A 55 5.212 -4.578 -0.624 1.00 0.00 H new ATOM 0 HA GLU A 55 7.487 -4.666 -2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.447 -4.916 -2.860 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.635 -5.164 -4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.667 -7.076 -2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.569 -6.794 -1.491 1.00 0.00 H new ATOM 849 N PHE A 56 5.417 -2.059 -2.581 1.00 0.00 N ATOM 850 CA PHE A 56 5.243 -0.706 -3.164 1.00 0.00 C ATOM 851 C PHE A 56 6.472 0.186 -2.849 1.00 0.00 C ATOM 852 O PHE A 56 7.028 0.817 -3.747 1.00 0.00 O ATOM 853 CB PHE A 56 3.939 -0.045 -2.567 1.00 0.00 C ATOM 854 CG PHE A 56 3.813 1.427 -3.114 1.00 0.00 C ATOM 855 CD1 PHE A 56 3.365 1.649 -4.437 1.00 0.00 C ATOM 856 CD2 PHE A 56 4.211 2.550 -2.312 1.00 0.00 C ATOM 857 CE1 PHE A 56 3.312 2.955 -4.958 1.00 0.00 C ATOM 858 CE2 PHE A 56 4.143 3.853 -2.843 1.00 0.00 C ATOM 859 CZ PHE A 56 3.698 4.055 -4.165 1.00 0.00 C ATOM 0 H PHE A 56 4.710 -2.312 -1.891 1.00 0.00 H new ATOM 0 HA PHE A 56 5.150 -0.797 -4.246 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.061 -0.627 -2.846 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.985 -0.039 -1.478 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.062 0.813 -5.050 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.562 2.396 -1.302 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.974 3.116 -5.971 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.432 4.698 -2.236 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.653 5.055 -4.571 1.00 0.00 H new ATOM 869 N VAL A 57 6.881 0.216 -1.548 1.00 0.00 N ATOM 870 CA VAL A 57 8.056 1.029 -1.099 1.00 0.00 C ATOM 871 C VAL A 57 9.347 0.501 -1.760 1.00 0.00 C ATOM 872 O VAL A 57 10.175 1.285 -2.251 1.00 0.00 O ATOM 873 CB VAL A 57 8.178 0.951 0.500 1.00 0.00 C ATOM 874 CG1 VAL A 57 9.536 1.633 1.031 1.00 0.00 C ATOM 875 CG2 VAL A 57 6.916 1.656 1.178 1.00 0.00 C ATOM 0 H VAL A 57 6.424 -0.305 -0.800 1.00 0.00 H new ATOM 0 HA VAL A 57 7.914 2.068 -1.397 1.00 0.00 H new ATOM 0 HB VAL A 57 8.204 -0.103 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.580 1.559 2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.394 1.120 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.555 2.683 0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.006 1.599 2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.875 2.701 0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.004 1.150 0.863 1.00 0.00 H new ATOM 885 N ALA A 58 9.511 -0.853 -1.753 1.00 0.00 N ATOM 886 CA ALA A 58 10.710 -1.505 -2.339 1.00 0.00 C ATOM 887 C ALA A 58 10.761 -1.275 -3.875 1.00 0.00 C ATOM 888 O ALA A 58 11.819 -0.995 -4.428 1.00 0.00 O ATOM 889 CB ALA A 58 10.675 -3.047 -2.012 1.00 0.00 C ATOM 0 H ALA A 58 8.835 -1.503 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 58 11.607 -1.065 -1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.553 -3.530 -2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.673 -3.190 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.774 -3.489 -2.438 1.00 0.00 H new ATOM 895 N ALA A 59 9.578 -1.374 -4.540 1.00 0.00 N ATOM 896 CA ALA A 59 9.453 -1.161 -6.016 1.00 0.00 C ATOM 897 C ALA A 59 9.612 0.344 -6.390 1.00 0.00 C ATOM 898 O ALA A 59 10.251 0.680 -7.400 1.00 0.00 O ATOM 899 CB ALA A 59 8.038 -1.674 -6.484 1.00 0.00 C ATOM 0 H ALA A 59 8.696 -1.600 -4.081 1.00 0.00 H new ATOM 0 HA ALA A 59 10.247 -1.715 -6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.934 -1.524 -7.559 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.941 -2.735 -6.254 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.259 -1.118 -5.963 1.00 0.00 H new ATOM 905 N ALA A 60 8.984 1.241 -5.565 1.00 0.00 N ATOM 906 CA ALA A 60 9.012 2.721 -5.812 1.00 0.00 C ATOM 907 C ALA A 60 10.436 3.276 -5.662 1.00 0.00 C ATOM 908 O ALA A 60 10.868 4.135 -6.449 1.00 0.00 O ATOM 909 CB ALA A 60 8.066 3.448 -4.778 1.00 0.00 C ATOM 0 H ALA A 60 8.459 0.969 -4.734 1.00 0.00 H new ATOM 0 HA ALA A 60 8.668 2.903 -6.830 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.087 4.523 -4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.047 3.080 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.410 3.244 -3.764 1.00 0.00 H new ATOM 915 N ARG A 61 11.164 2.778 -4.625 1.00 0.00 N ATOM 916 CA ARG A 61 12.558 3.230 -4.360 1.00 0.00 C ATOM 917 C ARG A 61 13.497 2.701 -5.454 1.00 0.00 C ATOM 918 O ARG A 61 14.387 3.416 -5.935 1.00 0.00 O ATOM 919 CB ARG A 61 13.035 2.747 -2.927 1.00 0.00 C ATOM 920 CG ARG A 61 14.505 3.287 -2.581 1.00 0.00 C ATOM 921 CD ARG A 61 14.943 2.841 -1.141 1.00 0.00 C ATOM 922 NE ARG A 61 15.038 1.354 -1.087 1.00 0.00 N ATOM 923 CZ ARG A 61 15.303 0.679 0.059 1.00 0.00 C ATOM 924 NH1 ARG A 61 15.468 1.331 1.182 1.00 0.00 N ATOM 925 NH2 ARG A 61 15.386 -0.626 0.044 1.00 0.00 N ATOM 0 H ARG A 61 10.817 2.077 -3.971 1.00 0.00 H new ATOM 0 HA ARG A 61 12.585 4.320 -4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.331 3.097 -2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 61 13.029 1.658 -2.889 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.217 2.910 -3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.522 4.375 -2.650 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.905 3.287 -0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.223 3.197 -0.404 1.00 0.00 H new ATOM 0 HE ARG A 61 14.898 0.823 -1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 61 15.397 2.348 1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.667 0.822 2.043 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.251 -1.136 -0.829 1.00 0.00 H new ATOM 0 HH22 ARG A 61 15.585 -1.134 0.906 1.00 0.00 H new TER 939 ARG A 61