USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 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=-0.59) USER MOD Single : A 9 LYS NZ :NH3+ 164:sc= -0.0438 (180deg=-0.409) USER MOD Single : A 13 LYS NZ :NH3+ -157:sc= -0.0489 (180deg=-0.517) USER MOD Single : A 14 LYS NZ :NH3+ -135:sc= 0.301 (180deg=-0.997) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 157:sc= 0 (180deg=-0.0662) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0191 X(o=-0.019,f=-0.019) 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+ -150:sc= -0.0939 (180deg=-0.88) USER MOD Single : A 34 HIS : no HE2:sc= -0.0075 K(o=-0.0075,f=-1.2) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= -0.0315 (180deg=-0.351) 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= -0.373 X(o=-0.37,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 -12.656 -9.203 -11.769 1.00 0.00 N ATOM 2 CA ILE A 5 -11.949 -8.571 -12.897 1.00 0.00 C ATOM 3 C ILE A 5 -10.740 -7.783 -12.340 1.00 0.00 C ATOM 4 O ILE A 5 -10.343 -6.740 -12.875 1.00 0.00 O ATOM 5 CB ILE A 5 -12.948 -7.622 -13.736 1.00 0.00 C ATOM 6 CG1 ILE A 5 -14.320 -8.420 -14.052 1.00 0.00 C ATOM 7 CG2 ILE A 5 -12.268 -7.123 -15.097 1.00 0.00 C ATOM 8 CD1 ILE A 5 -14.104 -9.777 -14.793 1.00 0.00 C ATOM 0 HA ILE A 5 -11.587 -9.333 -13.587 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.173 -6.741 -13.135 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -14.844 -8.608 -13.115 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -14.967 -7.785 -14.657 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -12.966 -6.486 -15.640 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -11.365 -6.558 -14.867 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -12.010 -7.985 -15.712 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -15.069 -10.253 -14.970 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.609 -9.596 -15.747 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.484 -10.431 -14.181 1.00 0.00 H new ATOM 20 N MET A 6 -10.144 -8.337 -11.229 1.00 0.00 N ATOM 21 CA MET A 6 -8.964 -7.717 -10.548 1.00 0.00 C ATOM 22 C MET A 6 -9.211 -6.192 -10.349 1.00 0.00 C ATOM 23 O MET A 6 -8.270 -5.403 -10.260 1.00 0.00 O ATOM 24 CB MET A 6 -7.679 -7.972 -11.447 1.00 0.00 C ATOM 25 CG MET A 6 -7.392 -9.529 -11.610 1.00 0.00 C ATOM 26 SD MET A 6 -6.882 -10.302 -10.021 1.00 0.00 S ATOM 27 CE MET A 6 -5.094 -9.896 -10.022 1.00 0.00 C ATOM 0 H MET A 6 -10.463 -9.203 -10.795 1.00 0.00 H new ATOM 0 HA MET A 6 -8.812 -8.162 -9.565 1.00 0.00 H new ATOM 0 HB2 MET A 6 -7.823 -7.521 -12.429 1.00 0.00 H new ATOM 0 HB3 MET A 6 -6.814 -7.485 -10.997 1.00 0.00 H new ATOM 0 HG2 MET A 6 -8.287 -10.026 -11.985 1.00 0.00 H new ATOM 0 HG3 MET A 6 -6.609 -9.678 -12.354 1.00 0.00 H new ATOM 0 HE1 MET A 6 -4.630 -10.295 -9.120 1.00 0.00 H new ATOM 0 HE2 MET A 6 -4.621 -10.337 -10.899 1.00 0.00 H new ATOM 0 HE3 MET A 6 -4.967 -8.814 -10.047 1.00 0.00 H new ATOM 37 N GLN A 7 -10.532 -5.803 -10.336 1.00 0.00 N ATOM 38 CA GLN A 7 -10.950 -4.394 -10.214 1.00 0.00 C ATOM 39 C GLN A 7 -10.432 -3.796 -8.886 1.00 0.00 C ATOM 40 O GLN A 7 -9.910 -2.671 -8.856 1.00 0.00 O ATOM 41 CB GLN A 7 -12.539 -4.295 -10.298 1.00 0.00 C ATOM 42 CG GLN A 7 -13.013 -2.774 -10.317 1.00 0.00 C ATOM 43 CD GLN A 7 -14.553 -2.642 -10.366 1.00 0.00 C ATOM 44 OE1 GLN A 7 -15.268 -3.590 -10.726 1.00 0.00 O ATOM 45 NE2 GLN A 7 -15.098 -1.506 -10.019 1.00 0.00 N ATOM 0 H GLN A 7 -11.310 -6.459 -10.409 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.521 -3.819 -11.035 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.892 -4.801 -11.196 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.985 -4.809 -9.446 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.635 -2.266 -9.430 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.579 -2.271 -11.181 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -14.509 -0.727 -9.723 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -16.112 -1.398 -10.044 1.00 0.00 H new ATOM 54 N ALA A 8 -10.574 -4.576 -7.794 1.00 0.00 N ATOM 55 CA ALA A 8 -10.109 -4.152 -6.445 1.00 0.00 C ATOM 56 C ALA A 8 -8.577 -3.886 -6.473 1.00 0.00 C ATOM 57 O ALA A 8 -8.102 -2.837 -6.009 1.00 0.00 O ATOM 58 CB ALA A 8 -10.445 -5.286 -5.415 1.00 0.00 C ATOM 0 H ALA A 8 -11.005 -5.500 -7.814 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.613 -3.232 -6.151 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.109 -4.987 -4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.522 -5.455 -5.398 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.938 -6.205 -5.708 1.00 0.00 H new ATOM 64 N LYS A 9 -7.814 -4.861 -7.038 1.00 0.00 N ATOM 65 CA LYS A 9 -6.333 -4.756 -7.162 1.00 0.00 C ATOM 66 C LYS A 9 -5.941 -3.614 -8.111 1.00 0.00 C ATOM 67 O LYS A 9 -4.966 -2.900 -7.865 1.00 0.00 O ATOM 68 CB LYS A 9 -5.765 -6.122 -7.686 1.00 0.00 C ATOM 69 CG LYS A 9 -5.944 -7.288 -6.634 1.00 0.00 C ATOM 70 CD LYS A 9 -4.920 -7.146 -5.425 1.00 0.00 C ATOM 71 CE LYS A 9 -5.143 -8.295 -4.386 1.00 0.00 C ATOM 72 NZ LYS A 9 -4.951 -9.606 -5.052 1.00 0.00 N ATOM 0 H LYS A 9 -8.199 -5.727 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.908 -4.534 -6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.270 -6.391 -8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.707 -6.007 -7.921 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.964 -7.280 -6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.796 -8.249 -7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.897 -7.179 -5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.051 -6.178 -4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.444 -8.190 -3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.147 -8.231 -3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.829 -10.347 -4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.784 -9.824 -5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.105 -9.568 -5.656 1.00 0.00 H new ATOM 86 N GLU A 10 -6.697 -3.467 -9.222 1.00 0.00 N ATOM 87 CA GLU A 10 -6.409 -2.418 -10.218 1.00 0.00 C ATOM 88 C GLU A 10 -6.584 -1.021 -9.555 1.00 0.00 C ATOM 89 O GLU A 10 -5.796 -0.106 -9.785 1.00 0.00 O ATOM 90 CB GLU A 10 -7.372 -2.590 -11.453 1.00 0.00 C ATOM 91 CG GLU A 10 -7.050 -1.530 -12.592 1.00 0.00 C ATOM 92 CD GLU A 10 -7.955 -1.721 -13.831 1.00 0.00 C ATOM 93 OE1 GLU A 10 -8.944 -2.446 -13.743 1.00 0.00 O ATOM 94 OE2 GLU A 10 -7.643 -1.130 -14.844 1.00 0.00 O ATOM 0 H GLU A 10 -7.500 -4.054 -9.447 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.382 -2.504 -10.573 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.274 -3.599 -11.855 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.406 -2.475 -11.129 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.182 -0.522 -12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.005 -1.622 -12.888 1.00 0.00 H new ATOM 101 N ASP A 11 -7.633 -0.909 -8.716 1.00 0.00 N ATOM 102 CA ASP A 11 -7.935 0.345 -7.978 1.00 0.00 C ATOM 103 C ASP A 11 -6.851 0.594 -6.901 1.00 0.00 C ATOM 104 O ASP A 11 -6.539 1.745 -6.569 1.00 0.00 O ATOM 105 CB ASP A 11 -9.358 0.255 -7.308 1.00 0.00 C ATOM 106 CG ASP A 11 -10.479 0.161 -8.378 1.00 0.00 C ATOM 107 OD1 ASP A 11 -10.253 0.569 -9.513 1.00 0.00 O ATOM 108 OD2 ASP A 11 -11.542 -0.327 -8.043 1.00 0.00 O ATOM 0 H ASP A 11 -8.288 -1.668 -8.529 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.935 1.178 -8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.401 -0.617 -6.655 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.523 1.131 -6.681 1.00 0.00 H new ATOM 113 N PHE A 12 -6.301 -0.517 -6.333 1.00 0.00 N ATOM 114 CA PHE A 12 -5.273 -0.425 -5.268 1.00 0.00 C ATOM 115 C PHE A 12 -3.961 0.233 -5.776 1.00 0.00 C ATOM 116 O PHE A 12 -3.484 1.222 -5.202 1.00 0.00 O ATOM 117 CB PHE A 12 -4.951 -1.869 -4.726 1.00 0.00 C ATOM 118 CG PHE A 12 -4.026 -1.746 -3.466 1.00 0.00 C ATOM 119 CD1 PHE A 12 -2.611 -1.733 -3.604 1.00 0.00 C ATOM 120 CD2 PHE A 12 -4.597 -1.586 -2.181 1.00 0.00 C ATOM 121 CE1 PHE A 12 -1.802 -1.559 -2.476 1.00 0.00 C ATOM 122 CE2 PHE A 12 -3.774 -1.422 -1.063 1.00 0.00 C ATOM 123 CZ PHE A 12 -2.380 -1.409 -1.205 1.00 0.00 C ATOM 0 H PHE A 12 -6.551 -1.471 -6.594 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.676 0.203 -4.474 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.874 -2.388 -4.467 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.459 -2.460 -5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.161 -1.857 -4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.671 -1.591 -2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.728 -1.540 -2.583 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.215 -1.305 -0.084 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.750 -1.284 -0.337 1.00 0.00 H new ATOM 133 N LYS A 13 -3.396 -0.331 -6.865 1.00 0.00 N ATOM 134 CA LYS A 13 -2.130 0.180 -7.464 1.00 0.00 C ATOM 135 C LYS A 13 -2.324 1.601 -8.020 1.00 0.00 C ATOM 136 O LYS A 13 -1.434 2.461 -7.925 1.00 0.00 O ATOM 137 CB LYS A 13 -1.641 -0.806 -8.607 1.00 0.00 C ATOM 138 CG LYS A 13 -2.730 -0.949 -9.760 1.00 0.00 C ATOM 139 CD LYS A 13 -2.200 -1.867 -10.960 1.00 0.00 C ATOM 140 CE LYS A 13 -1.410 -1.009 -12.025 1.00 0.00 C ATOM 141 NZ LYS A 13 -2.342 -0.038 -12.674 1.00 0.00 N ATOM 0 H LYS A 13 -3.789 -1.137 -7.350 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.367 0.226 -6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.707 -0.438 -9.031 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.432 -1.786 -8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.643 -1.379 -9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.987 0.039 -10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.552 -2.649 -10.565 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.042 -2.364 -11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.591 -0.476 -11.543 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.967 -1.662 -12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.963 0.241 -13.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.274 -0.483 -12.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.439 0.805 -12.072 1.00 0.00 H new ATOM 155 N LYS A 14 -3.523 1.812 -8.630 1.00 0.00 N ATOM 156 CA LYS A 14 -3.884 3.094 -9.251 1.00 0.00 C ATOM 157 C LYS A 14 -3.880 4.203 -8.194 1.00 0.00 C ATOM 158 O LYS A 14 -3.406 5.313 -8.436 1.00 0.00 O ATOM 159 CB LYS A 14 -5.313 2.994 -9.939 1.00 0.00 C ATOM 160 CG LYS A 14 -5.666 4.340 -10.719 1.00 0.00 C ATOM 161 CD LYS A 14 -7.055 4.233 -11.479 1.00 0.00 C ATOM 162 CE LYS A 14 -7.356 5.579 -12.243 1.00 0.00 C ATOM 163 NZ LYS A 14 -7.420 6.693 -11.254 1.00 0.00 N ATOM 0 H LYS A 14 -4.251 1.100 -8.699 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.148 3.333 -10.019 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.329 2.153 -10.632 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.072 2.798 -9.182 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.700 5.170 -10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.876 4.563 -11.436 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.030 3.402 -12.184 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.853 4.023 -10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.579 5.775 -12.981 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.298 5.502 -12.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.245 7.292 -11.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.507 6.301 -10.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.553 7.264 -11.318 1.00 0.00 H new ATOM 177 N MET A 15 -4.450 3.905 -7.030 1.00 0.00 N ATOM 178 CA MET A 15 -4.518 4.891 -5.942 1.00 0.00 C ATOM 179 C MET A 15 -3.099 5.172 -5.364 1.00 0.00 C ATOM 180 O MET A 15 -2.746 6.304 -5.121 1.00 0.00 O ATOM 181 CB MET A 15 -5.478 4.356 -4.809 1.00 0.00 C ATOM 182 CG MET A 15 -5.780 5.466 -3.713 1.00 0.00 C ATOM 183 SD MET A 15 -6.805 6.788 -4.459 1.00 0.00 S ATOM 184 CE MET A 15 -6.975 7.855 -3.013 1.00 0.00 C ATOM 0 H MET A 15 -4.869 3.001 -6.811 1.00 0.00 H new ATOM 0 HA MET A 15 -4.912 5.828 -6.336 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.415 4.022 -5.255 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.026 3.487 -4.331 1.00 0.00 H new ATOM 0 HG2 MET A 15 -6.299 5.023 -2.863 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.847 5.883 -3.334 1.00 0.00 H new ATOM 0 HE1 MET A 15 -7.576 8.726 -3.273 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.463 7.304 -2.209 1.00 0.00 H new ATOM 0 HE3 MET A 15 -5.988 8.180 -2.683 1.00 0.00 H new ATOM 194 N MET A 16 -2.332 4.093 -5.123 1.00 0.00 N ATOM 195 CA MET A 16 -0.962 4.183 -4.509 1.00 0.00 C ATOM 196 C MET A 16 0.037 4.967 -5.389 1.00 0.00 C ATOM 197 O MET A 16 0.823 5.779 -4.864 1.00 0.00 O ATOM 198 CB MET A 16 -0.424 2.714 -4.296 1.00 0.00 C ATOM 199 CG MET A 16 -1.149 1.990 -3.095 1.00 0.00 C ATOM 200 SD MET A 16 -0.723 2.772 -1.494 1.00 0.00 S ATOM 201 CE MET A 16 0.748 1.796 -1.061 1.00 0.00 C ATOM 0 H MET A 16 -2.624 3.140 -5.339 1.00 0.00 H new ATOM 0 HA MET A 16 -1.048 4.723 -3.566 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.571 2.138 -5.209 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.649 2.744 -4.107 1.00 0.00 H new ATOM 0 HG2 MET A 16 -2.228 2.025 -3.244 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.864 0.938 -3.076 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.368 2.362 -0.366 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.440 0.861 -0.594 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.320 1.580 -1.963 1.00 0.00 H new ATOM 211 N GLU A 17 0.014 4.720 -6.715 1.00 0.00 N ATOM 212 CA GLU A 17 0.937 5.407 -7.663 1.00 0.00 C ATOM 213 C GLU A 17 0.546 6.913 -7.773 1.00 0.00 C ATOM 214 O GLU A 17 1.409 7.792 -7.851 1.00 0.00 O ATOM 215 CB GLU A 17 0.905 4.655 -9.068 1.00 0.00 C ATOM 216 CG GLU A 17 -0.422 4.943 -9.856 1.00 0.00 C ATOM 217 CD GLU A 17 -0.573 4.024 -11.094 1.00 0.00 C ATOM 218 OE1 GLU A 17 -0.662 2.823 -10.902 1.00 0.00 O ATOM 219 OE2 GLU A 17 -0.625 4.543 -12.204 1.00 0.00 O ATOM 0 H GLU A 17 -0.624 4.058 -7.157 1.00 0.00 H new ATOM 0 HA GLU A 17 1.963 5.369 -7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.759 4.970 -9.668 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.006 3.582 -8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.275 4.801 -9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.436 5.985 -10.174 1.00 0.00 H new ATOM 226 N GLU A 18 -0.805 7.171 -7.766 1.00 0.00 N ATOM 227 CA GLU A 18 -1.375 8.558 -7.850 1.00 0.00 C ATOM 228 C GLU A 18 -1.346 9.273 -6.480 1.00 0.00 C ATOM 229 O GLU A 18 -1.377 10.513 -6.427 1.00 0.00 O ATOM 230 CB GLU A 18 -2.889 8.492 -8.343 1.00 0.00 C ATOM 231 CG GLU A 18 -3.002 8.014 -9.851 1.00 0.00 C ATOM 232 CD GLU A 18 -4.484 7.890 -10.311 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.387 8.187 -9.525 1.00 0.00 O ATOM 234 OE2 GLU A 18 -4.682 7.500 -11.442 1.00 0.00 O ATOM 0 H GLU A 18 -1.513 6.439 -7.703 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.760 9.118 -8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.449 7.810 -7.703 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.347 9.475 -8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.480 8.721 -10.496 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.505 7.051 -9.965 1.00 0.00 H new ATOM 241 N ALA A 19 -1.304 8.490 -5.374 1.00 0.00 N ATOM 242 CA ALA A 19 -1.291 9.057 -3.993 1.00 0.00 C ATOM 243 C ALA A 19 0.145 9.315 -3.564 1.00 0.00 C ATOM 244 O ALA A 19 0.396 9.485 -2.368 1.00 0.00 O ATOM 245 CB ALA A 19 -1.978 8.049 -2.989 1.00 0.00 C ATOM 0 H ALA A 19 -1.279 7.471 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.845 9.996 -3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.964 8.470 -1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.010 7.876 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.435 7.104 -2.994 1.00 0.00 H new ATOM 251 N LYS A 20 1.112 9.260 -4.556 1.00 0.00 N ATOM 252 CA LYS A 20 2.578 9.381 -4.263 1.00 0.00 C ATOM 253 C LYS A 20 2.776 10.111 -2.941 1.00 0.00 C ATOM 254 O LYS A 20 2.331 11.253 -2.792 1.00 0.00 O ATOM 255 CB LYS A 20 3.324 10.166 -5.422 1.00 0.00 C ATOM 256 CG LYS A 20 4.922 9.940 -5.358 1.00 0.00 C ATOM 257 CD LYS A 20 5.375 8.678 -6.232 1.00 0.00 C ATOM 258 CE LYS A 20 5.569 9.072 -7.745 1.00 0.00 C ATOM 259 NZ LYS A 20 5.781 7.832 -8.553 1.00 0.00 N ATOM 0 H LYS A 20 0.896 9.135 -5.545 1.00 0.00 H new ATOM 0 HA LYS A 20 3.001 8.379 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.947 9.833 -6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.103 11.230 -5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.431 10.834 -5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.228 9.794 -4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.307 8.274 -5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.627 7.890 -6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.694 9.612 -8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.423 9.741 -7.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.910 8.087 -9.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.628 7.335 -8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.953 7.210 -8.458 1.00 0.00 H new ATOM 273 N PHE A 21 3.380 9.403 -1.975 1.00 0.00 N ATOM 274 CA PHE A 21 3.580 9.912 -0.612 1.00 0.00 C ATOM 275 C PHE A 21 4.998 9.614 -0.167 1.00 0.00 C ATOM 276 O PHE A 21 5.740 8.919 -0.873 1.00 0.00 O ATOM 277 CB PHE A 21 2.510 9.233 0.329 1.00 0.00 C ATOM 278 CG PHE A 21 2.697 7.666 0.323 1.00 0.00 C ATOM 279 CD1 PHE A 21 2.151 6.871 -0.727 1.00 0.00 C ATOM 280 CD2 PHE A 21 3.443 7.031 1.343 1.00 0.00 C ATOM 281 CE1 PHE A 21 2.353 5.479 -0.740 1.00 0.00 C ATOM 282 CE2 PHE A 21 3.645 5.641 1.317 1.00 0.00 C ATOM 283 CZ PHE A 21 3.098 4.863 0.280 1.00 0.00 C ATOM 0 H PHE A 21 3.743 8.461 -2.118 1.00 0.00 H new ATOM 0 HA PHE A 21 3.445 10.993 -0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.613 9.615 1.345 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.505 9.488 -0.007 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.580 7.339 -1.515 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.860 7.619 2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.934 4.882 -1.536 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.223 5.167 2.097 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.250 3.794 0.268 1.00 0.00 H new ATOM 293 N ASN A 22 5.372 10.155 1.005 1.00 0.00 N ATOM 294 CA ASN A 22 6.722 9.964 1.574 1.00 0.00 C ATOM 295 C ASN A 22 7.121 8.410 1.555 1.00 0.00 C ATOM 296 O ASN A 22 6.378 7.586 2.103 1.00 0.00 O ATOM 297 CB ASN A 22 6.729 10.536 3.023 1.00 0.00 C ATOM 298 CG ASN A 22 6.507 12.064 2.981 1.00 0.00 C ATOM 299 OD1 ASN A 22 5.520 12.583 3.511 1.00 0.00 O ATOM 300 ND2 ASN A 22 7.379 12.804 2.364 1.00 0.00 N ATOM 0 H ASN A 22 4.757 10.731 1.581 1.00 0.00 H new ATOM 0 HA ASN A 22 7.463 10.494 0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.947 10.061 3.615 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.678 10.310 3.509 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.248 13.815 2.317 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.194 12.374 1.926 1.00 0.00 H new ATOM 307 N PRO A 23 8.252 8.001 0.888 1.00 0.00 N ATOM 308 CA PRO A 23 8.654 6.533 0.775 1.00 0.00 C ATOM 309 C PRO A 23 9.103 5.940 2.127 1.00 0.00 C ATOM 310 O PRO A 23 9.141 4.709 2.286 1.00 0.00 O ATOM 311 CB PRO A 23 9.829 6.560 -0.280 1.00 0.00 C ATOM 312 CG PRO A 23 10.450 7.927 -0.117 1.00 0.00 C ATOM 313 CD PRO A 23 9.268 8.881 0.199 1.00 0.00 C ATOM 0 HA PRO A 23 7.825 5.894 0.472 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.554 5.769 -0.088 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.456 6.411 -1.293 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.185 7.931 0.688 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.970 8.233 -1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.582 9.704 0.841 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.860 9.323 -0.710 1.00 0.00 H new ATOM 321 N ARG A 24 9.457 6.836 3.084 1.00 0.00 N ATOM 322 CA ARG A 24 9.935 6.434 4.440 1.00 0.00 C ATOM 323 C ARG A 24 8.762 6.255 5.418 1.00 0.00 C ATOM 324 O ARG A 24 8.966 5.828 6.565 1.00 0.00 O ATOM 325 CB ARG A 24 10.961 7.503 4.962 1.00 0.00 C ATOM 326 CG ARG A 24 10.273 8.937 5.082 1.00 0.00 C ATOM 327 CD ARG A 24 11.284 9.996 5.637 1.00 0.00 C ATOM 328 NE ARG A 24 12.403 10.149 4.683 1.00 0.00 N ATOM 329 CZ ARG A 24 12.324 10.910 3.563 1.00 0.00 C ATOM 330 NH1 ARG A 24 11.216 11.552 3.249 1.00 0.00 N ATOM 331 NH2 ARG A 24 13.357 10.996 2.778 1.00 0.00 N ATOM 0 H ARG A 24 9.421 7.846 2.944 1.00 0.00 H new ATOM 0 HA ARG A 24 10.434 5.467 4.370 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.348 7.198 5.934 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.812 7.559 4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.909 9.253 4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 24 9.406 8.875 5.740 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.783 10.953 5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.661 9.681 6.610 1.00 0.00 H new ATOM 0 HE ARG A 24 13.276 9.659 4.876 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.397 11.482 3.853 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.178 12.119 2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.215 10.494 3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.309 11.565 1.933 1.00 0.00 H new ATOM 345 N ALA A 25 7.531 6.567 4.957 1.00 0.00 N ATOM 346 CA ALA A 25 6.327 6.413 5.801 1.00 0.00 C ATOM 347 C ALA A 25 6.056 4.912 5.982 1.00 0.00 C ATOM 348 O ALA A 25 6.441 4.106 5.128 1.00 0.00 O ATOM 349 CB ALA A 25 5.104 7.113 5.149 1.00 0.00 C ATOM 0 H ALA A 25 7.346 6.922 4.019 1.00 0.00 H new ATOM 0 HA ALA A 25 6.493 6.882 6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.230 6.987 5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.315 8.176 5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.908 6.669 4.173 1.00 0.00 H new ATOM 355 N THR A 26 5.402 4.563 7.098 1.00 0.00 N ATOM 356 CA THR A 26 5.065 3.176 7.416 1.00 0.00 C ATOM 357 C THR A 26 3.632 2.906 6.975 1.00 0.00 C ATOM 358 O THR A 26 2.858 3.842 6.732 1.00 0.00 O ATOM 359 CB THR A 26 5.231 2.953 8.968 1.00 0.00 C ATOM 360 OG1 THR A 26 6.532 3.384 9.340 1.00 0.00 O ATOM 361 CG2 THR A 26 5.068 1.437 9.381 1.00 0.00 C ATOM 0 H THR A 26 5.094 5.235 7.801 1.00 0.00 H new ATOM 0 HA THR A 26 5.728 2.486 6.893 1.00 0.00 H new ATOM 0 HB THR A 26 4.451 3.520 9.476 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.656 3.256 10.304 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.191 1.338 10.459 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.076 1.087 9.096 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.824 0.838 8.873 1.00 0.00 H new ATOM 369 N PHE A 27 3.281 1.620 6.899 1.00 0.00 N ATOM 370 CA PHE A 27 1.933 1.183 6.519 1.00 0.00 C ATOM 371 C PHE A 27 0.880 1.710 7.527 1.00 0.00 C ATOM 372 O PHE A 27 -0.192 2.157 7.133 1.00 0.00 O ATOM 373 CB PHE A 27 1.884 -0.382 6.458 1.00 0.00 C ATOM 374 CG PHE A 27 0.406 -0.852 6.216 1.00 0.00 C ATOM 375 CD1 PHE A 27 -0.231 -0.553 4.990 1.00 0.00 C ATOM 376 CD2 PHE A 27 -0.325 -1.535 7.231 1.00 0.00 C ATOM 377 CE1 PHE A 27 -1.553 -0.921 4.775 1.00 0.00 C ATOM 378 CE2 PHE A 27 -1.658 -1.907 7.002 1.00 0.00 C ATOM 379 CZ PHE A 27 -2.272 -1.603 5.772 1.00 0.00 C ATOM 0 H PHE A 27 3.922 0.852 7.099 1.00 0.00 H new ATOM 0 HA PHE A 27 1.698 1.591 5.536 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.528 -0.745 5.657 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.263 -0.805 7.388 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.314 -0.035 4.215 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.147 -1.766 8.175 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.031 -0.682 3.837 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.213 -2.426 7.769 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.297 -1.894 5.594 1.00 0.00 H new ATOM 389 N SER A 28 1.199 1.602 8.828 1.00 0.00 N ATOM 390 CA SER A 28 0.278 2.030 9.915 1.00 0.00 C ATOM 391 C SER A 28 -0.050 3.524 9.776 1.00 0.00 C ATOM 392 O SER A 28 -1.194 3.933 9.998 1.00 0.00 O ATOM 393 CB SER A 28 0.943 1.755 11.296 1.00 0.00 C ATOM 394 OG SER A 28 2.156 2.501 11.384 1.00 0.00 O ATOM 0 H SER A 28 2.086 1.223 9.161 1.00 0.00 H new ATOM 0 HA SER A 28 -0.650 1.463 9.842 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.267 2.039 12.103 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.147 0.690 11.411 1.00 0.00 H new ATOM 0 HG SER A 28 2.580 2.335 12.252 1.00 0.00 H new ATOM 400 N GLU A 29 0.958 4.325 9.378 1.00 0.00 N ATOM 401 CA GLU A 29 0.772 5.769 9.170 1.00 0.00 C ATOM 402 C GLU A 29 -0.084 6.016 7.892 1.00 0.00 C ATOM 403 O GLU A 29 -1.018 6.835 7.895 1.00 0.00 O ATOM 404 CB GLU A 29 2.193 6.455 9.041 1.00 0.00 C ATOM 405 CG GLU A 29 2.048 8.016 8.834 1.00 0.00 C ATOM 406 CD GLU A 29 3.421 8.736 8.728 1.00 0.00 C ATOM 407 OE1 GLU A 29 4.435 8.064 8.567 1.00 0.00 O ATOM 408 OE2 GLU A 29 3.423 9.950 8.816 1.00 0.00 O ATOM 0 H GLU A 29 1.906 3.995 9.195 1.00 0.00 H new ATOM 0 HA GLU A 29 0.243 6.204 10.018 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.780 6.256 9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.736 6.021 8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.471 8.207 7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.484 8.438 9.666 1.00 0.00 H new ATOM 415 N PHE A 30 0.255 5.295 6.800 1.00 0.00 N ATOM 416 CA PHE A 30 -0.473 5.418 5.510 1.00 0.00 C ATOM 417 C PHE A 30 -1.947 4.936 5.653 1.00 0.00 C ATOM 418 O PHE A 30 -2.883 5.575 5.152 1.00 0.00 O ATOM 419 CB PHE A 30 0.271 4.575 4.408 1.00 0.00 C ATOM 420 CG PHE A 30 -0.405 4.850 3.016 1.00 0.00 C ATOM 421 CD1 PHE A 30 -0.071 6.025 2.292 1.00 0.00 C ATOM 422 CD2 PHE A 30 -1.399 3.972 2.497 1.00 0.00 C ATOM 423 CE1 PHE A 30 -0.709 6.308 1.078 1.00 0.00 C ATOM 424 CE2 PHE A 30 -2.037 4.272 1.283 1.00 0.00 C ATOM 425 CZ PHE A 30 -1.693 5.439 0.572 1.00 0.00 C ATOM 0 H PHE A 30 1.023 4.624 6.782 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.491 6.467 5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.326 4.845 4.375 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.222 3.513 4.648 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.677 6.702 2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.662 3.075 3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.444 7.198 0.527 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.793 3.607 0.893 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.185 5.667 -0.362 1.00 0.00 H new ATOM 435 N ALA A 31 -2.120 3.781 6.330 1.00 0.00 N ATOM 436 CA ALA A 31 -3.450 3.171 6.555 1.00 0.00 C ATOM 437 C ALA A 31 -4.310 4.080 7.448 1.00 0.00 C ATOM 438 O ALA A 31 -5.485 4.228 7.211 1.00 0.00 O ATOM 439 CB ALA A 31 -3.263 1.774 7.223 1.00 0.00 C ATOM 0 H ALA A 31 -1.349 3.248 6.733 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.961 3.051 5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.239 1.318 7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.672 1.134 6.568 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.748 1.893 8.176 1.00 0.00 H new ATOM 445 N ALA A 32 -3.677 4.696 8.472 1.00 0.00 N ATOM 446 CA ALA A 32 -4.383 5.615 9.415 1.00 0.00 C ATOM 447 C ALA A 32 -5.024 6.786 8.631 1.00 0.00 C ATOM 448 O ALA A 32 -6.143 7.218 8.946 1.00 0.00 O ATOM 449 CB ALA A 32 -3.369 6.178 10.473 1.00 0.00 C ATOM 0 H ALA A 32 -2.684 4.579 8.672 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.166 5.059 9.931 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.891 6.847 11.157 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.934 5.352 11.035 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.577 6.726 9.962 1.00 0.00 H new ATOM 455 N LYS A 33 -4.311 7.272 7.593 1.00 0.00 N ATOM 456 CA LYS A 33 -4.823 8.373 6.737 1.00 0.00 C ATOM 457 C LYS A 33 -6.001 7.893 5.839 1.00 0.00 C ATOM 458 O LYS A 33 -7.001 8.621 5.677 1.00 0.00 O ATOM 459 CB LYS A 33 -3.648 8.943 5.848 1.00 0.00 C ATOM 460 CG LYS A 33 -4.119 10.213 5.003 1.00 0.00 C ATOM 461 CD LYS A 33 -2.888 10.883 4.238 1.00 0.00 C ATOM 462 CE LYS A 33 -2.307 12.080 5.073 1.00 0.00 C ATOM 463 NZ LYS A 33 -3.356 13.124 5.230 1.00 0.00 N ATOM 0 H LYS A 33 -3.389 6.927 7.326 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.204 9.163 7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.809 9.220 6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.292 8.166 5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.879 9.912 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.580 10.944 5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.110 10.139 4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.210 11.237 3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.977 11.730 6.051 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.434 12.498 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.907 14.060 5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.991 13.105 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.904 12.938 6.094 1.00 0.00 H new ATOM 477 N HIS A 34 -5.858 6.685 5.238 1.00 0.00 N ATOM 478 CA HIS A 34 -6.897 6.122 4.316 1.00 0.00 C ATOM 479 C HIS A 34 -7.833 5.159 5.065 1.00 0.00 C ATOM 480 O HIS A 34 -8.673 4.512 4.452 1.00 0.00 O ATOM 481 CB HIS A 34 -6.170 5.388 3.128 1.00 0.00 C ATOM 482 CG HIS A 34 -5.405 6.411 2.289 1.00 0.00 C ATOM 483 ND1 HIS A 34 -4.124 6.825 2.618 1.00 0.00 N ATOM 484 CD2 HIS A 34 -5.749 7.125 1.161 1.00 0.00 C ATOM 485 CE1 HIS A 34 -3.749 7.747 1.713 1.00 0.00 C ATOM 486 NE2 HIS A 34 -4.703 7.966 0.802 1.00 0.00 N ATOM 0 H HIS A 34 -5.046 6.082 5.368 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.513 6.931 3.924 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.484 4.635 3.517 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.899 4.866 2.508 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.566 6.491 3.404 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.689 7.043 0.636 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.793 8.250 1.721 1.00 0.00 H new ATOM 494 N ALA A 35 -7.626 5.016 6.393 1.00 0.00 N ATOM 495 CA ALA A 35 -8.422 4.069 7.237 1.00 0.00 C ATOM 496 C ALA A 35 -9.925 4.318 7.057 1.00 0.00 C ATOM 497 O ALA A 35 -10.728 3.369 7.079 1.00 0.00 O ATOM 498 CB ALA A 35 -8.042 4.247 8.763 1.00 0.00 C ATOM 0 H ALA A 35 -6.919 5.538 6.911 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.189 3.053 6.920 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.627 3.553 9.367 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.980 4.041 8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.257 5.269 9.075 1.00 0.00 H new ATOM 504 N LYS A 36 -10.301 5.609 6.903 1.00 0.00 N ATOM 505 CA LYS A 36 -11.718 6.003 6.736 1.00 0.00 C ATOM 506 C LYS A 36 -12.176 5.751 5.299 1.00 0.00 C ATOM 507 O LYS A 36 -13.380 5.763 5.021 1.00 0.00 O ATOM 508 CB LYS A 36 -11.851 7.532 7.076 1.00 0.00 C ATOM 509 CG LYS A 36 -11.482 7.803 8.593 1.00 0.00 C ATOM 510 CD LYS A 36 -11.601 9.359 8.921 1.00 0.00 C ATOM 511 CE LYS A 36 -11.256 9.638 10.418 1.00 0.00 C ATOM 512 NZ LYS A 36 -11.385 11.099 10.674 1.00 0.00 N ATOM 0 H LYS A 36 -9.646 6.391 6.891 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.344 5.411 7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.194 8.112 6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.870 7.866 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.147 7.235 9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.468 7.458 8.795 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.927 9.924 8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.612 9.704 8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.927 9.079 11.071 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.243 9.303 10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.158 11.299 11.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.728 11.619 10.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.360 11.402 10.474 1.00 0.00 H new ATOM 526 N ASP A 37 -11.205 5.499 4.379 1.00 0.00 N ATOM 527 CA ASP A 37 -11.536 5.220 2.963 1.00 0.00 C ATOM 528 C ASP A 37 -12.227 3.835 2.882 1.00 0.00 C ATOM 529 O ASP A 37 -11.823 2.903 3.587 1.00 0.00 O ATOM 530 CB ASP A 37 -10.234 5.251 2.074 1.00 0.00 C ATOM 531 CG ASP A 37 -10.604 5.397 0.580 1.00 0.00 C ATOM 532 OD1 ASP A 37 -11.330 4.551 0.092 1.00 0.00 O ATOM 533 OD2 ASP A 37 -10.168 6.356 -0.037 1.00 0.00 O ATOM 0 H ASP A 37 -10.207 5.484 4.591 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.211 5.987 2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.597 6.081 2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.661 4.336 2.225 1.00 0.00 H new ATOM 538 N SER A 38 -13.273 3.720 2.038 1.00 0.00 N ATOM 539 CA SER A 38 -14.040 2.446 1.881 1.00 0.00 C ATOM 540 C SER A 38 -13.131 1.319 1.321 1.00 0.00 C ATOM 541 O SER A 38 -13.400 0.133 1.512 1.00 0.00 O ATOM 542 CB SER A 38 -15.222 2.706 0.926 1.00 0.00 C ATOM 543 OG SER A 38 -15.993 1.525 0.796 1.00 0.00 O ATOM 0 H SER A 38 -13.612 4.484 1.453 1.00 0.00 H new ATOM 0 HA SER A 38 -14.409 2.119 2.853 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.841 3.517 1.309 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.852 3.021 -0.050 1.00 0.00 H new ATOM 0 HG SER A 38 -16.745 1.691 0.190 1.00 0.00 H new ATOM 549 N ARG A 39 -12.034 1.746 0.675 1.00 0.00 N ATOM 550 CA ARG A 39 -10.994 0.844 0.097 1.00 0.00 C ATOM 551 C ARG A 39 -10.313 0.024 1.198 1.00 0.00 C ATOM 552 O ARG A 39 -9.933 -1.133 0.984 1.00 0.00 O ATOM 553 CB ARG A 39 -9.924 1.711 -0.677 1.00 0.00 C ATOM 554 CG ARG A 39 -10.478 2.223 -2.074 1.00 0.00 C ATOM 555 CD ARG A 39 -9.562 3.369 -2.657 1.00 0.00 C ATOM 556 NE ARG A 39 -8.128 3.097 -2.401 1.00 0.00 N ATOM 557 CZ ARG A 39 -7.435 2.110 -2.991 1.00 0.00 C ATOM 558 NH1 ARG A 39 -7.994 1.343 -3.910 1.00 0.00 N ATOM 559 NH2 ARG A 39 -6.198 1.916 -2.625 1.00 0.00 N ATOM 0 H ARG A 39 -11.831 2.735 0.532 1.00 0.00 H new ATOM 0 HA ARG A 39 -11.472 0.150 -0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.637 2.566 -0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.024 1.118 -0.838 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.522 1.393 -2.779 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.496 2.592 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.731 3.461 -3.730 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.839 4.323 -2.208 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.638 3.696 -1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.965 1.497 -4.181 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.454 0.597 -4.349 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.780 2.507 -1.907 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.649 1.173 -3.057 1.00 0.00 H new ATOM 573 N PHE A 40 -10.178 0.647 2.382 1.00 0.00 N ATOM 574 CA PHE A 40 -9.572 -0.019 3.550 1.00 0.00 C ATOM 575 C PHE A 40 -10.509 -1.168 4.070 1.00 0.00 C ATOM 576 O PHE A 40 -10.046 -2.267 4.409 1.00 0.00 O ATOM 577 CB PHE A 40 -9.286 1.022 4.677 1.00 0.00 C ATOM 578 CG PHE A 40 -8.485 0.317 5.821 1.00 0.00 C ATOM 579 CD1 PHE A 40 -7.097 0.106 5.672 1.00 0.00 C ATOM 580 CD2 PHE A 40 -9.145 -0.169 6.988 1.00 0.00 C ATOM 581 CE1 PHE A 40 -6.381 -0.567 6.663 1.00 0.00 C ATOM 582 CE2 PHE A 40 -8.412 -0.849 7.972 1.00 0.00 C ATOM 583 CZ PHE A 40 -7.030 -1.044 7.809 1.00 0.00 C ATOM 0 H PHE A 40 -10.479 1.606 2.556 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.624 -0.465 3.250 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.716 1.862 4.279 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -10.221 1.426 5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.589 0.466 4.790 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -10.206 -0.014 7.114 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.319 -0.721 6.545 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -8.910 -1.223 8.855 1.00 0.00 H new ATOM 0 HZ PHE A 40 -6.466 -1.563 8.570 1.00 0.00 H new ATOM 593 N LYS A 41 -11.831 -0.846 4.171 1.00 0.00 N ATOM 594 CA LYS A 41 -12.862 -1.799 4.705 1.00 0.00 C ATOM 595 C LYS A 41 -13.258 -2.840 3.646 1.00 0.00 C ATOM 596 O LYS A 41 -13.853 -3.875 3.980 1.00 0.00 O ATOM 597 CB LYS A 41 -14.139 -0.963 5.138 1.00 0.00 C ATOM 598 CG LYS A 41 -13.804 0.141 6.235 1.00 0.00 C ATOM 599 CD LYS A 41 -13.395 -0.518 7.625 1.00 0.00 C ATOM 600 CE LYS A 41 -13.063 0.577 8.697 1.00 0.00 C ATOM 601 NZ LYS A 41 -12.721 -0.103 9.987 1.00 0.00 N ATOM 0 H LYS A 41 -12.211 0.059 3.893 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.446 -2.334 5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.567 -0.479 4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.897 -1.641 5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.991 0.774 5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.671 0.786 6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.208 -1.148 7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.530 -1.165 7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.229 1.193 8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.916 1.242 8.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.498 0.612 10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.531 -0.674 10.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.896 -0.721 9.846 1.00 0.00 H new ATOM 615 N ALA A 42 -12.896 -2.568 2.377 1.00 0.00 N ATOM 616 CA ALA A 42 -13.174 -3.484 1.240 1.00 0.00 C ATOM 617 C ALA A 42 -12.346 -4.778 1.397 1.00 0.00 C ATOM 618 O ALA A 42 -12.827 -5.871 1.061 1.00 0.00 O ATOM 619 CB ALA A 42 -12.825 -2.765 -0.089 1.00 0.00 C ATOM 0 H ALA A 42 -12.406 -1.715 2.107 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.230 -3.753 1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.027 -3.432 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.433 -1.865 -0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.770 -2.492 -0.089 1.00 0.00 H new ATOM 625 N ILE A 43 -11.104 -4.638 1.912 1.00 0.00 N ATOM 626 CA ILE A 43 -10.207 -5.797 2.119 1.00 0.00 C ATOM 627 C ILE A 43 -10.329 -6.262 3.586 1.00 0.00 C ATOM 628 O ILE A 43 -10.025 -5.509 4.520 1.00 0.00 O ATOM 629 CB ILE A 43 -8.698 -5.389 1.815 1.00 0.00 C ATOM 630 CG1 ILE A 43 -8.592 -4.517 0.463 1.00 0.00 C ATOM 631 CG2 ILE A 43 -7.789 -6.689 1.706 1.00 0.00 C ATOM 632 CD1 ILE A 43 -9.233 -5.214 -0.766 1.00 0.00 C ATOM 0 H ILE A 43 -10.703 -3.742 2.190 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.494 -6.602 1.443 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.340 -4.774 2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.078 -3.554 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.542 -4.314 0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.760 -6.397 1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.827 -7.239 2.646 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.156 -7.323 0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.128 -4.575 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.732 -6.165 -0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.291 -5.393 -0.572 1.00 0.00 H new ATOM 644 N GLU A 44 -10.788 -7.517 3.754 1.00 0.00 N ATOM 645 CA GLU A 44 -10.983 -8.144 5.077 1.00 0.00 C ATOM 646 C GLU A 44 -9.620 -8.435 5.749 1.00 0.00 C ATOM 647 O GLU A 44 -9.452 -8.229 6.965 1.00 0.00 O ATOM 648 CB GLU A 44 -11.795 -9.488 4.862 1.00 0.00 C ATOM 649 CG GLU A 44 -13.270 -9.182 4.338 1.00 0.00 C ATOM 650 CD GLU A 44 -14.062 -10.502 4.102 1.00 0.00 C ATOM 651 OE1 GLU A 44 -13.494 -11.422 3.524 1.00 0.00 O ATOM 652 OE2 GLU A 44 -15.209 -10.566 4.513 1.00 0.00 O ATOM 0 H GLU A 44 -11.035 -8.127 2.974 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.534 -7.471 5.734 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.274 -10.122 4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.845 -10.042 5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.797 -8.562 5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.220 -8.613 3.410 1.00 0.00 H new ATOM 659 N LYS A 45 -8.658 -8.942 4.927 1.00 0.00 N ATOM 660 CA LYS A 45 -7.295 -9.308 5.395 1.00 0.00 C ATOM 661 C LYS A 45 -6.321 -8.132 5.194 1.00 0.00 C ATOM 662 O LYS A 45 -5.886 -7.846 4.071 1.00 0.00 O ATOM 663 CB LYS A 45 -6.788 -10.570 4.579 1.00 0.00 C ATOM 664 CG LYS A 45 -7.695 -11.839 4.892 1.00 0.00 C ATOM 665 CD LYS A 45 -7.190 -13.109 4.071 1.00 0.00 C ATOM 666 CE LYS A 45 -8.097 -14.353 4.376 1.00 0.00 C ATOM 667 NZ LYS A 45 -7.998 -14.678 5.828 1.00 0.00 N ATOM 0 H LYS A 45 -8.806 -9.106 3.931 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.334 -9.545 6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.812 -10.353 3.511 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.751 -10.785 4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.669 -12.056 5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.732 -11.623 4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.208 -12.891 3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.156 -13.332 4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.132 -14.140 4.107 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.781 -15.206 3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.364 -15.637 5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.003 -14.630 6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.558 -13.994 6.376 1.00 0.00 H new ATOM 681 N MET A 46 -5.959 -7.484 6.307 1.00 0.00 N ATOM 682 CA MET A 46 -5.012 -6.354 6.311 1.00 0.00 C ATOM 683 C MET A 46 -3.582 -6.861 6.004 1.00 0.00 C ATOM 684 O MET A 46 -2.676 -6.067 5.746 1.00 0.00 O ATOM 685 CB MET A 46 -5.085 -5.681 7.735 1.00 0.00 C ATOM 686 CG MET A 46 -6.502 -5.010 7.962 1.00 0.00 C ATOM 687 SD MET A 46 -6.608 -4.299 9.654 1.00 0.00 S ATOM 688 CE MET A 46 -7.127 -5.768 10.603 1.00 0.00 C ATOM 0 H MET A 46 -6.312 -7.725 7.233 1.00 0.00 H new ATOM 0 HA MET A 46 -5.269 -5.624 5.543 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.903 -6.429 8.507 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.301 -4.929 7.829 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.664 -4.228 7.221 1.00 0.00 H new ATOM 0 HG3 MET A 46 -7.289 -5.751 7.821 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.236 -5.502 11.654 1.00 0.00 H new ATOM 0 HE2 MET A 46 -8.081 -6.131 10.220 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.375 -6.550 10.503 1.00 0.00 H new ATOM 698 N LYS A 47 -3.407 -8.208 6.044 1.00 0.00 N ATOM 699 CA LYS A 47 -2.102 -8.856 5.760 1.00 0.00 C ATOM 700 C LYS A 47 -1.694 -8.622 4.301 1.00 0.00 C ATOM 701 O LYS A 47 -0.524 -8.351 3.998 1.00 0.00 O ATOM 702 CB LYS A 47 -2.206 -10.396 6.048 1.00 0.00 C ATOM 703 CG LYS A 47 -2.443 -10.660 7.593 1.00 0.00 C ATOM 704 CD LYS A 47 -2.530 -12.220 7.882 1.00 0.00 C ATOM 705 CE LYS A 47 -2.743 -12.493 9.407 1.00 0.00 C ATOM 706 NZ LYS A 47 -2.807 -13.964 9.621 1.00 0.00 N ATOM 0 H LYS A 47 -4.154 -8.865 6.270 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.341 -8.417 6.406 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.025 -10.825 5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.292 -10.895 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.630 -10.221 8.172 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.363 -10.172 7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.352 -12.654 7.312 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.615 -12.708 7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.927 -12.062 9.986 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.663 -12.020 9.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.949 -14.162 10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.600 -14.360 9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.917 -14.400 9.304 1.00 0.00 H new ATOM 720 N ASP A 48 -2.697 -8.730 3.391 1.00 0.00 N ATOM 721 CA ASP A 48 -2.468 -8.530 1.942 1.00 0.00 C ATOM 722 C ASP A 48 -2.059 -7.071 1.666 1.00 0.00 C ATOM 723 O ASP A 48 -1.214 -6.804 0.808 1.00 0.00 O ATOM 724 CB ASP A 48 -3.759 -8.903 1.138 1.00 0.00 C ATOM 725 CG ASP A 48 -3.470 -8.928 -0.377 1.00 0.00 C ATOM 726 OD1 ASP A 48 -2.727 -9.796 -0.803 1.00 0.00 O ATOM 727 OD2 ASP A 48 -3.981 -8.068 -1.075 1.00 0.00 O ATOM 0 H ASP A 48 -3.662 -8.952 3.635 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.657 -9.182 1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.125 -9.878 1.460 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.547 -8.181 1.351 1.00 0.00 H new ATOM 732 N ARG A 49 -2.666 -6.131 2.426 1.00 0.00 N ATOM 733 CA ARG A 49 -2.358 -4.691 2.274 1.00 0.00 C ATOM 734 C ARG A 49 -0.895 -4.420 2.691 1.00 0.00 C ATOM 735 O ARG A 49 -0.180 -3.656 2.034 1.00 0.00 O ATOM 736 CB ARG A 49 -3.316 -3.831 3.169 1.00 0.00 C ATOM 737 CG ARG A 49 -4.812 -3.935 2.676 1.00 0.00 C ATOM 738 CD ARG A 49 -5.746 -3.046 3.577 1.00 0.00 C ATOM 739 NE ARG A 49 -5.346 -1.632 3.436 1.00 0.00 N ATOM 740 CZ ARG A 49 -5.698 -0.866 2.374 1.00 0.00 C ATOM 741 NH1 ARG A 49 -6.419 -1.359 1.388 1.00 0.00 N ATOM 742 NH2 ARG A 49 -5.300 0.368 2.324 1.00 0.00 N ATOM 0 H ARG A 49 -3.363 -6.340 3.141 1.00 0.00 H new ATOM 0 HA ARG A 49 -2.500 -4.415 1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.248 -4.166 4.204 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.997 -2.789 3.150 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.883 -3.613 1.637 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.142 -4.973 2.711 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.787 -3.174 3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.670 -3.357 4.619 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.778 -1.212 4.172 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.722 -2.332 1.415 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.674 -0.767 0.597 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.729 0.751 3.078 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.558 0.955 1.531 1.00 0.00 H new ATOM 756 N GLU A 50 -0.466 -5.070 3.814 1.00 0.00 N ATOM 757 CA GLU A 50 0.917 -4.906 4.336 1.00 0.00 C ATOM 758 C GLU A 50 1.933 -5.469 3.306 1.00 0.00 C ATOM 759 O GLU A 50 2.979 -4.859 3.040 1.00 0.00 O ATOM 760 CB GLU A 50 1.060 -5.666 5.727 1.00 0.00 C ATOM 761 CG GLU A 50 2.482 -5.376 6.392 1.00 0.00 C ATOM 762 CD GLU A 50 2.636 -6.112 7.746 1.00 0.00 C ATOM 763 OE1 GLU A 50 2.912 -7.304 7.724 1.00 0.00 O ATOM 764 OE2 GLU A 50 2.473 -5.470 8.775 1.00 0.00 O ATOM 0 H GLU A 50 -1.050 -5.701 4.363 1.00 0.00 H new ATOM 0 HA GLU A 50 1.124 -3.847 4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.266 -5.348 6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.938 -6.738 5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.274 -5.692 5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.602 -4.303 6.544 1.00 0.00 H new ATOM 771 N ALA A 51 1.612 -6.652 2.735 1.00 0.00 N ATOM 772 CA ALA A 51 2.491 -7.310 1.728 1.00 0.00 C ATOM 773 C ALA A 51 2.707 -6.377 0.507 1.00 0.00 C ATOM 774 O ALA A 51 3.832 -6.155 0.070 1.00 0.00 O ATOM 775 CB ALA A 51 1.816 -8.648 1.262 1.00 0.00 C ATOM 0 H ALA A 51 0.760 -7.171 2.948 1.00 0.00 H new ATOM 0 HA ALA A 51 3.462 -7.520 2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.451 -9.138 0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.682 -9.306 2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.845 -8.430 0.817 1.00 0.00 H new ATOM 781 N LEU A 52 1.590 -5.825 -0.010 1.00 0.00 N ATOM 782 CA LEU A 52 1.605 -4.894 -1.171 1.00 0.00 C ATOM 783 C LEU A 52 2.373 -3.609 -0.832 1.00 0.00 C ATOM 784 O LEU A 52 3.133 -3.091 -1.655 1.00 0.00 O ATOM 785 CB LEU A 52 0.117 -4.554 -1.555 1.00 0.00 C ATOM 786 CG LEU A 52 -0.646 -5.812 -2.199 1.00 0.00 C ATOM 787 CD1 LEU A 52 -2.201 -5.538 -2.239 1.00 0.00 C ATOM 788 CD2 LEU A 52 -0.121 -6.094 -3.669 1.00 0.00 C ATOM 0 H LEU A 52 0.656 -6.006 0.358 1.00 0.00 H new ATOM 0 HA LEU A 52 2.111 -5.369 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.419 -4.222 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.106 -3.724 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.446 -6.687 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.711 -6.396 -2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.568 -5.377 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.399 -4.652 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.651 -6.950 -4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.298 -5.218 -4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.947 -6.308 -3.639 1.00 0.00 H new ATOM 800 N PHE A 53 2.151 -3.098 0.394 1.00 0.00 N ATOM 801 CA PHE A 53 2.814 -1.864 0.866 1.00 0.00 C ATOM 802 C PHE A 53 4.359 -2.053 0.846 1.00 0.00 C ATOM 803 O PHE A 53 5.096 -1.183 0.381 1.00 0.00 O ATOM 804 CB PHE A 53 2.328 -1.543 2.319 1.00 0.00 C ATOM 805 CG PHE A 53 2.942 -0.175 2.773 1.00 0.00 C ATOM 806 CD1 PHE A 53 2.276 1.039 2.474 1.00 0.00 C ATOM 807 CD2 PHE A 53 4.192 -0.135 3.452 1.00 0.00 C ATOM 808 CE1 PHE A 53 2.841 2.258 2.844 1.00 0.00 C ATOM 809 CE2 PHE A 53 4.751 1.092 3.810 1.00 0.00 C ATOM 810 CZ PHE A 53 4.075 2.289 3.511 1.00 0.00 C ATOM 0 H PHE A 53 1.519 -3.519 1.075 1.00 0.00 H new ATOM 0 HA PHE A 53 2.556 -1.034 0.208 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.239 -1.496 2.350 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.632 -2.337 3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.328 1.020 1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.707 -1.054 3.690 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.328 3.181 2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.704 1.123 4.317 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.508 3.236 3.796 1.00 0.00 H new ATOM 820 N ASN A 54 4.820 -3.208 1.368 1.00 0.00 N ATOM 821 CA ASN A 54 6.275 -3.523 1.425 1.00 0.00 C ATOM 822 C ASN A 54 6.857 -3.599 -0.014 1.00 0.00 C ATOM 823 O ASN A 54 7.958 -3.092 -0.283 1.00 0.00 O ATOM 824 CB ASN A 54 6.473 -4.898 2.154 1.00 0.00 C ATOM 825 CG ASN A 54 6.075 -4.806 3.646 1.00 0.00 C ATOM 826 OD1 ASN A 54 6.350 -3.802 4.311 1.00 0.00 O ATOM 827 ND2 ASN A 54 5.443 -5.804 4.210 1.00 0.00 N ATOM 0 H ASN A 54 4.218 -3.936 1.754 1.00 0.00 H new ATOM 0 HA ASN A 54 6.798 -2.739 1.973 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.872 -5.663 1.662 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.514 -5.209 2.072 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.180 -5.750 5.194 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.213 -6.635 3.665 1.00 0.00 H new ATOM 834 N GLU A 55 6.078 -4.231 -0.935 1.00 0.00 N ATOM 835 CA GLU A 55 6.479 -4.372 -2.364 1.00 0.00 C ATOM 836 C GLU A 55 6.452 -3.009 -3.061 1.00 0.00 C ATOM 837 O GLU A 55 7.313 -2.709 -3.890 1.00 0.00 O ATOM 838 CB GLU A 55 5.502 -5.364 -3.108 1.00 0.00 C ATOM 839 CG GLU A 55 5.683 -6.849 -2.578 1.00 0.00 C ATOM 840 CD GLU A 55 4.665 -7.823 -3.232 1.00 0.00 C ATOM 841 OE1 GLU A 55 3.895 -7.396 -4.093 1.00 0.00 O ATOM 842 OE2 GLU A 55 4.674 -8.972 -2.850 1.00 0.00 O ATOM 0 H GLU A 55 5.174 -4.649 -0.715 1.00 0.00 H new ATOM 0 HA GLU A 55 7.493 -4.771 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.471 -5.044 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.693 -5.332 -4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.697 -7.189 -2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.559 -6.866 -1.495 1.00 0.00 H new ATOM 849 N PHE A 56 5.421 -2.184 -2.735 1.00 0.00 N ATOM 850 CA PHE A 56 5.255 -0.853 -3.362 1.00 0.00 C ATOM 851 C PHE A 56 6.473 0.051 -3.043 1.00 0.00 C ATOM 852 O PHE A 56 7.045 0.667 -3.941 1.00 0.00 O ATOM 853 CB PHE A 56 3.938 -0.184 -2.824 1.00 0.00 C ATOM 854 CG PHE A 56 3.771 1.227 -3.492 1.00 0.00 C ATOM 855 CD1 PHE A 56 3.306 1.321 -4.824 1.00 0.00 C ATOM 856 CD2 PHE A 56 4.140 2.418 -2.794 1.00 0.00 C ATOM 857 CE1 PHE A 56 3.211 2.570 -5.450 1.00 0.00 C ATOM 858 CE2 PHE A 56 4.030 3.663 -3.428 1.00 0.00 C ATOM 859 CZ PHE A 56 3.570 3.742 -4.754 1.00 0.00 C ATOM 0 H PHE A 56 4.703 -2.417 -2.050 1.00 0.00 H new ATOM 0 HA PHE A 56 5.188 -0.975 -4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.077 -0.812 -3.051 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.982 -0.084 -1.739 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.023 0.427 -5.360 1.00 0.00 H new ATOM 0 HD2 PHE A 56 4.503 2.359 -1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.861 2.636 -6.470 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.299 4.564 -2.897 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.491 4.703 -5.241 1.00 0.00 H new ATOM 869 N VAL A 57 6.858 0.108 -1.744 1.00 0.00 N ATOM 870 CA VAL A 57 8.021 0.928 -1.299 1.00 0.00 C ATOM 871 C VAL A 57 9.324 0.388 -1.920 1.00 0.00 C ATOM 872 O VAL A 57 10.165 1.166 -2.398 1.00 0.00 O ATOM 873 CB VAL A 57 8.115 0.883 0.298 1.00 0.00 C ATOM 874 CG1 VAL A 57 9.459 1.563 0.826 1.00 0.00 C ATOM 875 CG2 VAL A 57 6.864 1.623 0.935 1.00 0.00 C ATOM 0 H VAL A 57 6.389 -0.396 -0.991 1.00 0.00 H new ATOM 0 HA VAL A 57 7.883 1.958 -1.628 1.00 0.00 H new ATOM 0 HB VAL A 57 8.121 -0.164 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.488 1.514 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.320 1.035 0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.488 2.605 0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.935 1.588 2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.849 2.662 0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.947 1.128 0.615 1.00 0.00 H new ATOM 885 N ALA A 58 9.488 -0.958 -1.890 1.00 0.00 N ATOM 886 CA ALA A 58 10.704 -1.615 -2.435 1.00 0.00 C ATOM 887 C ALA A 58 10.789 -1.408 -3.972 1.00 0.00 C ATOM 888 O ALA A 58 11.873 -1.166 -4.520 1.00 0.00 O ATOM 889 CB ALA A 58 10.663 -3.145 -2.089 1.00 0.00 C ATOM 0 H ALA A 58 8.802 -1.604 -1.499 1.00 0.00 H new ATOM 0 HA ALA A 58 11.590 -1.167 -1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.553 -3.632 -2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.632 -3.273 -1.007 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.775 -3.595 -2.533 1.00 0.00 H new ATOM 895 N ALA A 59 9.617 -1.495 -4.651 1.00 0.00 N ATOM 896 CA ALA A 59 9.528 -1.305 -6.127 1.00 0.00 C ATOM 897 C ALA A 59 9.678 0.195 -6.511 1.00 0.00 C ATOM 898 O ALA A 59 10.359 0.533 -7.489 1.00 0.00 O ATOM 899 CB ALA A 59 8.138 -1.839 -6.618 1.00 0.00 C ATOM 0 H ALA A 59 8.722 -1.695 -4.204 1.00 0.00 H new ATOM 0 HA ALA A 59 10.339 -1.856 -6.604 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.058 -1.707 -7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.048 -2.898 -6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.340 -1.284 -6.124 1.00 0.00 H new ATOM 905 N ALA A 60 9.003 1.088 -5.726 1.00 0.00 N ATOM 906 CA ALA A 60 9.029 2.559 -5.989 1.00 0.00 C ATOM 907 C ALA A 60 10.441 3.132 -5.753 1.00 0.00 C ATOM 908 O ALA A 60 10.928 3.965 -6.533 1.00 0.00 O ATOM 909 CB ALA A 60 8.020 3.278 -5.019 1.00 0.00 C ATOM 0 H ALA A 60 8.442 0.819 -4.918 1.00 0.00 H new ATOM 0 HA ALA A 60 8.747 2.730 -7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.036 4.351 -5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.014 2.894 -5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.310 3.087 -3.986 1.00 0.00 H new ATOM 915 N ARG A 61 11.096 2.657 -4.655 1.00 0.00 N ATOM 916 CA ARG A 61 12.455 3.125 -4.301 1.00 0.00 C ATOM 917 C ARG A 61 13.490 2.559 -5.282 1.00 0.00 C ATOM 918 O ARG A 61 14.401 3.271 -5.739 1.00 0.00 O ATOM 919 CB ARG A 61 12.804 2.659 -2.830 1.00 0.00 C ATOM 920 CG ARG A 61 14.236 3.196 -2.398 1.00 0.00 C ATOM 921 CD ARG A 61 14.592 2.796 -0.932 1.00 0.00 C ATOM 922 NE ARG A 61 15.932 3.345 -0.611 1.00 0.00 N ATOM 923 CZ ARG A 61 16.136 4.662 -0.314 1.00 0.00 C ATOM 924 NH1 ARG A 61 15.134 5.518 -0.329 1.00 0.00 N ATOM 925 NH2 ARG A 61 17.335 5.083 -0.041 1.00 0.00 N ATOM 0 H ARG A 61 10.708 1.964 -4.015 1.00 0.00 H new ATOM 0 HA ARG A 61 12.480 4.213 -4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.047 3.027 -2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 61 12.786 1.571 -2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.992 2.799 -3.076 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.260 4.282 -2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.846 3.187 -0.240 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.590 1.711 -0.823 1.00 0.00 H new ATOM 0 HE ARG A 61 16.733 2.714 -0.612 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.194 5.199 -0.564 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.298 6.500 -0.105 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.119 4.430 -0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.492 6.066 0.181 1.00 0.00 H new TER 939 ARG A 61