USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 573 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -51:sc= 1.09 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.15 K(o=2.2,f=-5.1!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -170:sc= -0.0285 (180deg=-0.241) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 7 THR OG1 : rot 126:sc= 1.51 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.966 USER MOD Single : A 1 MET CE :methyl -164:sc= -3.38 (180deg=-4.09!) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.89 (180deg=1.21) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 2.51 (180deg=2.42) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0128) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.446 X(o=-0.45,f=-0.45) USER MOD Single : A 41 GLN : amide:sc= 1.15 K(o=1.1,f=-2.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 55 THR OG1 : rot -51:sc= 1.07 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.00136 USER MOD Single : A 60 ASN : amide:sc= -0.0469 X(o=-0.047,f=-0.00046) USER MOD Single : A 62 GLN : amide:sc= 0.0824 X(o=0.082,f=-0.24) USER MOD Single : A 63 LYS NZ :NH3+ 153:sc= 1.1 (180deg=1.07) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.785 43.676 -12.054 1.00 0.00 N ATOM 2 CA MET A 1 -5.186 44.682 -10.972 1.00 0.00 C ATOM 3 C MET A 1 -4.072 45.011 -9.979 1.00 0.00 C ATOM 4 O MET A 1 -3.044 44.328 -9.925 1.00 0.00 O ATOM 5 CB MET A 1 -6.606 44.318 -10.351 1.00 0.00 C ATOM 6 CG MET A 1 -6.679 43.570 -9.001 1.00 0.00 C ATOM 7 SD MET A 1 -5.701 42.059 -9.074 1.00 0.00 S ATOM 8 CE MET A 1 -5.956 41.902 -7.271 1.00 0.00 C ATOM 0 H1 MET A 1 -5.639 43.238 -12.455 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.262 44.166 -12.807 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.181 42.939 -11.636 1.00 0.00 H new ATOM 0 HA MET A 1 -5.329 45.650 -11.453 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.161 45.249 -10.238 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.139 43.716 -11.087 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.311 44.212 -8.201 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.716 43.330 -8.765 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.240 41.188 -6.863 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.810 42.873 -6.797 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.970 41.551 -7.076 1.00 0.00 H new ATOM 18 N GLN A 2 -4.223 46.139 -9.243 1.00 0.00 N ATOM 19 CA GLN A 2 -3.221 46.485 -8.279 1.00 0.00 C ATOM 20 C GLN A 2 -3.489 45.820 -6.883 1.00 0.00 C ATOM 21 O GLN A 2 -4.636 45.828 -6.426 1.00 0.00 O ATOM 22 CB GLN A 2 -3.044 48.040 -8.162 1.00 0.00 C ATOM 23 CG GLN A 2 -2.684 48.770 -9.508 1.00 0.00 C ATOM 24 CD GLN A 2 -2.305 50.257 -9.284 1.00 0.00 C ATOM 25 OE1 GLN A 2 -2.824 50.808 -8.310 1.00 0.00 O ATOM 26 NE2 GLN A 2 -1.302 50.798 -9.984 1.00 0.00 N ATOM 0 H GLN A 2 -5.008 46.786 -9.313 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.277 46.079 -8.642 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.967 48.467 -7.770 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -2.261 48.248 -7.433 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.853 48.253 -9.989 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.533 48.712 -10.189 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.909 50.298 -10.782 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.930 51.710 -9.720 1.00 0.00 H new ATOM 35 N ILE A 3 -2.427 45.239 -6.233 1.00 0.00 N ATOM 36 CA ILE A 3 -2.457 44.685 -4.862 1.00 0.00 C ATOM 37 C ILE A 3 -1.318 45.366 -4.142 1.00 0.00 C ATOM 38 O ILE A 3 -0.521 46.011 -4.821 1.00 0.00 O ATOM 39 CB ILE A 3 -2.331 43.164 -4.772 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.099 42.629 -5.573 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.674 42.627 -5.289 1.00 0.00 C ATOM 42 CD1 ILE A 3 0.196 42.412 -4.695 1.00 0.00 C ATOM 0 H ILE A 3 -1.511 45.148 -6.672 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.433 44.878 -4.417 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.141 42.824 -3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.368 41.684 -6.044 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.868 43.330 -6.375 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.667 41.537 -5.257 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.482 43.003 -4.661 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.828 42.959 -6.316 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.004 42.040 -5.325 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.493 43.359 -4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.015 41.687 -3.909 1.00 0.00 H new ATOM 54 N PHE A 4 -1.234 45.266 -2.804 1.00 0.00 N ATOM 55 CA PHE A 4 -0.209 45.966 -2.026 1.00 0.00 C ATOM 56 C PHE A 4 0.601 44.942 -1.235 1.00 0.00 C ATOM 57 O PHE A 4 0.134 43.875 -0.808 1.00 0.00 O ATOM 58 CB PHE A 4 -0.905 46.871 -0.979 1.00 0.00 C ATOM 59 CG PHE A 4 -1.632 48.127 -1.604 1.00 0.00 C ATOM 60 CD1 PHE A 4 -0.849 49.084 -2.256 1.00 0.00 C ATOM 61 CD2 PHE A 4 -3.021 48.309 -1.566 1.00 0.00 C ATOM 62 CE1 PHE A 4 -1.437 50.230 -2.779 1.00 0.00 C ATOM 63 CE2 PHE A 4 -3.629 49.473 -2.105 1.00 0.00 C ATOM 64 CZ PHE A 4 -2.799 50.403 -2.756 1.00 0.00 C ATOM 0 H PHE A 4 -1.870 44.702 -2.240 1.00 0.00 H new ATOM 0 HA PHE A 4 0.422 46.542 -2.703 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.634 46.278 -0.428 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.163 47.214 -0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.216 48.933 -2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.642 47.548 -1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.812 50.997 -3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.693 49.639 -2.018 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.237 51.262 -3.243 1.00 0.00 H new ATOM 74 N VAL A 5 1.864 45.316 -0.929 1.00 0.00 N ATOM 75 CA VAL A 5 2.726 44.424 -0.180 1.00 0.00 C ATOM 76 C VAL A 5 3.435 45.237 0.861 1.00 0.00 C ATOM 77 O VAL A 5 4.149 46.161 0.503 1.00 0.00 O ATOM 78 CB VAL A 5 3.749 43.583 -1.024 1.00 0.00 C ATOM 79 CG1 VAL A 5 4.234 42.394 -0.172 1.00 0.00 C ATOM 80 CG2 VAL A 5 3.098 43.086 -2.334 1.00 0.00 C ATOM 0 H VAL A 5 2.285 46.208 -1.188 1.00 0.00 H new ATOM 0 HA VAL A 5 2.080 43.664 0.259 1.00 0.00 H new ATOM 0 HB VAL A 5 4.599 44.209 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.946 41.801 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.718 42.767 0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.382 41.772 0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.824 42.506 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.238 42.460 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.773 43.941 -2.926 1.00 0.00 H new ATOM 90 N LYS A 6 3.342 44.831 2.143 1.00 0.00 N ATOM 91 CA LYS A 6 3.969 45.588 3.193 1.00 0.00 C ATOM 92 C LYS A 6 5.248 44.905 3.752 1.00 0.00 C ATOM 93 O LYS A 6 5.200 43.764 4.227 1.00 0.00 O ATOM 94 CB LYS A 6 3.025 45.817 4.374 1.00 0.00 C ATOM 95 CG LYS A 6 1.918 46.889 4.113 1.00 0.00 C ATOM 96 CD LYS A 6 1.323 47.225 5.524 1.00 0.00 C ATOM 97 CE LYS A 6 0.109 48.195 5.396 1.00 0.00 C ATOM 98 NZ LYS A 6 0.366 49.318 4.442 1.00 0.00 N ATOM 0 H LYS A 6 2.844 43.996 2.452 1.00 0.00 H new ATOM 0 HA LYS A 6 4.236 46.536 2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.546 44.872 4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.613 46.122 5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.336 47.778 3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.149 46.504 3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.010 46.306 6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.092 47.678 6.149 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.765 47.635 5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.129 48.605 6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.397 50.021 4.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.276 49.767 4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.398 48.948 3.471 1.00 0.00 H new ATOM 112 N THR A 7 6.370 45.675 3.796 1.00 0.00 N ATOM 113 CA THR A 7 7.645 45.196 4.334 1.00 0.00 C ATOM 114 C THR A 7 7.698 45.489 5.808 1.00 0.00 C ATOM 115 O THR A 7 7.029 46.381 6.390 1.00 0.00 O ATOM 116 CB THR A 7 8.901 45.779 3.663 1.00 0.00 C ATOM 117 OG1 THR A 7 9.009 47.140 3.997 1.00 0.00 O ATOM 118 CG2 THR A 7 8.744 45.649 2.104 1.00 0.00 C ATOM 0 H THR A 7 6.402 46.637 3.458 1.00 0.00 H new ATOM 0 HA THR A 7 7.668 44.127 4.124 1.00 0.00 H new ATOM 0 HB THR A 7 9.789 45.243 3.999 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.890 47.311 4.391 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.627 46.058 1.614 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.634 44.598 1.836 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.861 46.200 1.780 1.00 0.00 H new ATOM 126 N LEU A 8 8.541 44.677 6.513 1.00 0.00 N ATOM 127 CA LEU A 8 8.804 44.863 7.928 1.00 0.00 C ATOM 128 C LEU A 8 9.421 46.209 8.245 1.00 0.00 C ATOM 129 O LEU A 8 9.074 46.810 9.284 1.00 0.00 O ATOM 130 CB LEU A 8 9.907 43.825 8.359 1.00 0.00 C ATOM 131 CG LEU A 8 9.427 42.347 8.516 1.00 0.00 C ATOM 132 CD1 LEU A 8 10.638 41.427 8.865 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.429 42.123 9.658 1.00 0.00 C ATOM 0 H LEU A 8 9.041 43.890 6.099 1.00 0.00 H new ATOM 0 HA LEU A 8 7.846 44.758 8.437 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.710 43.850 7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.335 44.151 9.307 1.00 0.00 H new ATOM 0 HG LEU A 8 8.952 42.116 7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.294 40.398 8.973 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.378 41.481 8.066 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.089 41.759 9.800 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.149 41.070 9.695 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.888 42.410 10.604 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.539 42.729 9.488 1.00 0.00 H new ATOM 145 N THR A 9 10.311 46.686 7.353 1.00 0.00 N ATOM 146 CA THR A 9 10.904 48.035 7.444 1.00 0.00 C ATOM 147 C THR A 9 9.886 49.181 7.436 1.00 0.00 C ATOM 148 O THR A 9 10.181 50.219 7.994 1.00 0.00 O ATOM 149 CB THR A 9 11.911 48.297 6.315 1.00 0.00 C ATOM 150 OG1 THR A 9 11.527 47.643 5.119 1.00 0.00 O ATOM 151 CG2 THR A 9 13.286 47.665 6.742 1.00 0.00 C ATOM 0 H THR A 9 10.639 46.148 6.551 1.00 0.00 H new ATOM 0 HA THR A 9 11.400 48.030 8.415 1.00 0.00 H new ATOM 0 HB THR A 9 11.966 49.372 6.146 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.186 47.830 4.418 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.024 47.835 5.958 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.627 48.128 7.668 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.161 46.593 6.896 1.00 0.00 H new ATOM 159 N GLY A 10 8.794 49.022 6.742 1.00 0.00 N ATOM 160 CA GLY A 10 7.722 50.046 6.719 1.00 0.00 C ATOM 161 C GLY A 10 7.428 50.604 5.387 1.00 0.00 C ATOM 162 O GLY A 10 6.940 51.744 5.327 1.00 0.00 O ATOM 0 H GLY A 10 8.598 48.198 6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.810 49.606 7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.004 50.862 7.385 1.00 0.00 H new ATOM 166 N LYS A 11 7.692 49.841 4.342 1.00 0.00 N ATOM 167 CA LYS A 11 7.461 50.342 3.013 1.00 0.00 C ATOM 168 C LYS A 11 6.241 49.597 2.459 1.00 0.00 C ATOM 169 O LYS A 11 5.998 48.426 2.765 1.00 0.00 O ATOM 170 CB LYS A 11 8.635 49.988 2.086 1.00 0.00 C ATOM 171 CG LYS A 11 9.937 50.487 2.689 1.00 0.00 C ATOM 172 CD LYS A 11 11.012 50.309 1.536 1.00 0.00 C ATOM 173 CE LYS A 11 12.456 50.747 1.847 1.00 0.00 C ATOM 174 NZ LYS A 11 12.583 52.181 2.152 1.00 0.00 N ATOM 0 H LYS A 11 8.059 48.891 4.391 1.00 0.00 H new ATOM 0 HA LYS A 11 7.330 51.423 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.682 48.909 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.483 50.437 1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.856 51.529 2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.208 49.913 3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.032 49.257 1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.669 50.868 0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.828 50.170 2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.091 50.508 0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.578 52.407 2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.258 52.739 1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.003 52.412 2.984 1.00 0.00 H new ATOM 188 N THR A 12 5.502 50.263 1.593 1.00 0.00 N ATOM 189 CA THR A 12 4.365 49.591 0.892 1.00 0.00 C ATOM 190 C THR A 12 4.671 49.566 -0.583 1.00 0.00 C ATOM 191 O THR A 12 4.760 50.593 -1.216 1.00 0.00 O ATOM 192 CB THR A 12 2.935 50.149 1.145 1.00 0.00 C ATOM 193 OG1 THR A 12 2.663 50.306 2.518 1.00 0.00 O ATOM 194 CG2 THR A 12 1.880 49.135 0.591 1.00 0.00 C ATOM 0 H THR A 12 5.642 51.243 1.346 1.00 0.00 H new ATOM 0 HA THR A 12 4.309 48.594 1.330 1.00 0.00 H new ATOM 0 HB THR A 12 2.879 51.118 0.649 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.756 50.660 2.634 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.876 49.522 0.766 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.034 48.998 -0.479 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.994 48.178 1.100 1.00 0.00 H new ATOM 202 N ILE A 13 4.871 48.355 -1.153 1.00 0.00 N ATOM 203 CA ILE A 13 5.060 48.190 -2.622 1.00 0.00 C ATOM 204 C ILE A 13 3.654 48.077 -3.274 1.00 0.00 C ATOM 205 O ILE A 13 2.783 47.379 -2.756 1.00 0.00 O ATOM 206 CB ILE A 13 5.832 46.907 -2.841 1.00 0.00 C ATOM 207 CG1 ILE A 13 7.196 46.939 -2.124 1.00 0.00 C ATOM 208 CG2 ILE A 13 5.908 46.567 -4.435 1.00 0.00 C ATOM 209 CD1 ILE A 13 7.614 45.447 -1.914 1.00 0.00 C ATOM 0 H ILE A 13 4.906 47.482 -0.627 1.00 0.00 H new ATOM 0 HA ILE A 13 5.601 49.030 -3.059 1.00 0.00 H new ATOM 0 HB ILE A 13 5.301 46.075 -2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.937 47.470 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.122 47.460 -1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.465 45.642 -4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.899 46.450 -4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.410 47.381 -4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.578 45.407 -1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.864 44.941 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.692 44.951 -2.882 1.00 0.00 H new ATOM 221 N THR A 14 3.434 48.760 -4.470 1.00 0.00 N ATOM 222 CA THR A 14 2.172 48.744 -5.207 1.00 0.00 C ATOM 223 C THR A 14 2.469 47.923 -6.473 1.00 0.00 C ATOM 224 O THR A 14 3.233 48.378 -7.309 1.00 0.00 O ATOM 225 CB THR A 14 1.613 50.159 -5.620 1.00 0.00 C ATOM 226 OG1 THR A 14 1.697 51.034 -4.537 1.00 0.00 O ATOM 227 CG2 THR A 14 0.117 49.946 -6.045 1.00 0.00 C ATOM 0 H THR A 14 4.153 49.327 -4.919 1.00 0.00 H new ATOM 0 HA THR A 14 1.395 48.329 -4.564 1.00 0.00 H new ATOM 0 HB THR A 14 2.187 50.592 -6.439 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.350 51.912 -4.798 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.317 50.901 -6.341 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.072 49.252 -6.884 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.445 49.537 -5.205 1.00 0.00 H new ATOM 235 N LEU A 15 1.957 46.662 -6.493 1.00 0.00 N ATOM 236 CA LEU A 15 2.420 45.595 -7.394 1.00 0.00 C ATOM 237 C LEU A 15 1.173 45.396 -8.286 1.00 0.00 C ATOM 238 O LEU A 15 0.082 45.226 -7.796 1.00 0.00 O ATOM 239 CB LEU A 15 2.810 44.363 -6.535 1.00 0.00 C ATOM 240 CG LEU A 15 3.654 43.294 -7.285 1.00 0.00 C ATOM 241 CD1 LEU A 15 5.111 43.851 -7.495 1.00 0.00 C ATOM 242 CD2 LEU A 15 3.652 41.967 -6.495 1.00 0.00 C ATOM 0 H LEU A 15 1.203 46.365 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 15 3.307 45.796 -7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.371 44.705 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.900 43.893 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 15 3.220 43.087 -8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.712 43.109 -8.020 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.069 44.767 -8.084 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.563 44.063 -6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.246 41.225 -7.029 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.080 42.132 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.629 41.607 -6.392 1.00 0.00 H new ATOM 254 N GLU A 16 1.378 45.508 -9.544 1.00 0.00 N ATOM 255 CA GLU A 16 0.247 45.249 -10.550 1.00 0.00 C ATOM 256 C GLU A 16 0.316 43.821 -11.097 1.00 0.00 C ATOM 257 O GLU A 16 1.319 43.379 -11.597 1.00 0.00 O ATOM 258 CB GLU A 16 0.304 46.300 -11.663 1.00 0.00 C ATOM 259 CG GLU A 16 -0.539 45.985 -12.979 1.00 0.00 C ATOM 260 CD GLU A 16 -2.047 46.215 -12.825 1.00 0.00 C ATOM 261 OE1 GLU A 16 -2.827 45.230 -12.806 1.00 0.00 O ATOM 262 OE2 GLU A 16 -2.428 47.389 -12.739 1.00 0.00 O ATOM 0 H GLU A 16 2.272 45.767 -9.962 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.715 45.341 -10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.042 47.249 -11.254 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.347 46.438 -11.950 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.168 46.608 -13.793 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.368 44.948 -13.268 1.00 0.00 H new ATOM 269 N VAL A 17 -0.734 43.005 -10.966 1.00 0.00 N ATOM 270 CA VAL A 17 -0.654 41.539 -11.232 1.00 0.00 C ATOM 271 C VAL A 17 -1.799 41.158 -12.040 1.00 0.00 C ATOM 272 O VAL A 17 -2.814 41.847 -12.115 1.00 0.00 O ATOM 273 CB VAL A 17 -0.759 40.730 -9.890 1.00 0.00 C ATOM 274 CG1 VAL A 17 0.492 40.967 -8.945 1.00 0.00 C ATOM 275 CG2 VAL A 17 -2.017 41.183 -9.066 1.00 0.00 C ATOM 0 H VAL A 17 -1.659 43.323 -10.677 1.00 0.00 H new ATOM 0 HA VAL A 17 0.293 41.325 -11.728 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.819 39.682 -10.183 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.372 40.386 -8.030 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.401 40.652 -9.458 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.564 42.026 -8.696 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.071 40.610 -8.140 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.936 42.244 -8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.919 41.009 -9.653 1.00 0.00 H new ATOM 285 N GLU A 18 -1.629 39.951 -12.553 1.00 0.00 N ATOM 286 CA GLU A 18 -2.715 39.302 -13.239 1.00 0.00 C ATOM 287 C GLU A 18 -3.348 38.400 -12.160 1.00 0.00 C ATOM 288 O GLU A 18 -2.617 37.825 -11.397 1.00 0.00 O ATOM 289 CB GLU A 18 -2.253 38.402 -14.400 1.00 0.00 C ATOM 290 CG GLU A 18 -1.720 39.254 -15.556 1.00 0.00 C ATOM 291 CD GLU A 18 -0.868 38.271 -16.388 1.00 0.00 C ATOM 292 OE1 GLU A 18 0.280 38.643 -16.559 1.00 0.00 O ATOM 293 OE2 GLU A 18 -1.343 37.233 -16.836 1.00 0.00 O ATOM 0 H GLU A 18 -0.763 39.415 -12.505 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.382 40.045 -13.676 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.476 37.721 -14.053 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.084 37.788 -14.746 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.532 39.676 -16.147 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.123 40.090 -15.192 1.00 0.00 H new ATOM 300 N PRO A 19 -4.661 38.260 -12.021 1.00 0.00 N ATOM 301 CA PRO A 19 -5.244 37.329 -10.951 1.00 0.00 C ATOM 302 C PRO A 19 -4.764 35.887 -11.027 1.00 0.00 C ATOM 303 O PRO A 19 -4.683 35.200 -10.025 1.00 0.00 O ATOM 304 CB PRO A 19 -6.809 37.392 -11.146 1.00 0.00 C ATOM 305 CG PRO A 19 -7.014 38.729 -11.881 1.00 0.00 C ATOM 306 CD PRO A 19 -5.767 38.865 -12.769 1.00 0.00 C ATOM 0 HA PRO A 19 -4.911 37.667 -9.970 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.177 36.549 -11.731 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.336 37.371 -10.192 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.928 38.721 -12.476 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.097 39.560 -11.181 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.913 38.360 -13.724 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.560 39.912 -12.991 1.00 0.00 H new ATOM 314 N SER A 20 -4.425 35.477 -12.208 1.00 0.00 N ATOM 315 CA SER A 20 -3.927 34.094 -12.454 1.00 0.00 C ATOM 316 C SER A 20 -2.451 33.961 -12.313 1.00 0.00 C ATOM 317 O SER A 20 -1.907 33.003 -12.861 1.00 0.00 O ATOM 318 CB SER A 20 -4.339 33.532 -13.838 1.00 0.00 C ATOM 319 OG SER A 20 -3.916 34.414 -14.888 1.00 0.00 O ATOM 0 H SER A 20 -4.472 36.059 -13.044 1.00 0.00 H new ATOM 0 HA SER A 20 -4.410 33.507 -11.673 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.896 32.547 -13.983 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.421 33.404 -13.877 1.00 0.00 H new ATOM 0 HG SER A 20 -4.183 34.043 -15.755 1.00 0.00 H new ATOM 325 N ASP A 21 -1.813 34.911 -11.591 1.00 0.00 N ATOM 326 CA ASP A 21 -0.440 34.790 -11.129 1.00 0.00 C ATOM 327 C ASP A 21 -0.264 33.902 -9.886 1.00 0.00 C ATOM 328 O ASP A 21 -1.031 33.950 -8.956 1.00 0.00 O ATOM 329 CB ASP A 21 0.093 36.243 -10.849 1.00 0.00 C ATOM 330 CG ASP A 21 0.422 36.901 -12.224 1.00 0.00 C ATOM 331 OD1 ASP A 21 0.637 36.121 -13.173 1.00 0.00 O ATOM 332 OD2 ASP A 21 0.663 38.129 -12.238 1.00 0.00 O ATOM 0 H ASP A 21 -2.256 35.788 -11.318 1.00 0.00 H new ATOM 0 HA ASP A 21 0.133 34.289 -11.909 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.655 36.828 -10.314 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.982 36.209 -10.219 1.00 0.00 H new ATOM 337 N THR A 22 0.881 33.201 -9.887 1.00 0.00 N ATOM 338 CA THR A 22 1.290 32.272 -8.756 1.00 0.00 C ATOM 339 C THR A 22 1.976 33.125 -7.647 1.00 0.00 C ATOM 340 O THR A 22 2.435 34.223 -7.902 1.00 0.00 O ATOM 341 CB THR A 22 2.243 31.037 -9.112 1.00 0.00 C ATOM 342 OG1 THR A 22 3.552 31.488 -9.511 1.00 0.00 O ATOM 343 CG2 THR A 22 1.592 30.234 -10.307 1.00 0.00 C ATOM 0 H THR A 22 1.559 33.242 -10.648 1.00 0.00 H new ATOM 0 HA THR A 22 0.357 31.801 -8.446 1.00 0.00 H new ATOM 0 HB THR A 22 2.351 30.408 -8.228 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.464 32.172 -10.207 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.228 29.387 -10.565 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.608 29.872 -10.009 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.491 30.889 -11.173 1.00 0.00 H new ATOM 351 N ILE A 23 2.083 32.636 -6.392 1.00 0.00 N ATOM 352 CA ILE A 23 2.888 33.336 -5.346 1.00 0.00 C ATOM 353 C ILE A 23 4.368 33.396 -5.733 1.00 0.00 C ATOM 354 O ILE A 23 4.970 34.488 -5.592 1.00 0.00 O ATOM 355 CB ILE A 23 2.591 32.678 -3.981 1.00 0.00 C ATOM 356 CG1 ILE A 23 1.072 32.752 -3.677 1.00 0.00 C ATOM 357 CG2 ILE A 23 3.461 33.403 -2.917 1.00 0.00 C ATOM 358 CD1 ILE A 23 0.512 34.174 -3.471 1.00 0.00 C ATOM 0 H ILE A 23 1.635 31.777 -6.075 1.00 0.00 H new ATOM 0 HA ILE A 23 2.599 34.384 -5.262 1.00 0.00 H new ATOM 0 HB ILE A 23 2.847 31.618 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.530 32.281 -4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.868 32.165 -2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.277 32.964 -1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.515 33.293 -3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.202 34.461 -2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.557 34.118 -3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.020 34.647 -2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.677 34.764 -4.373 1.00 0.00 H new ATOM 370 N GLU A 24 4.871 32.351 -6.403 1.00 0.00 N ATOM 371 CA GLU A 24 6.196 32.485 -6.965 1.00 0.00 C ATOM 372 C GLU A 24 6.369 33.687 -7.964 1.00 0.00 C ATOM 373 O GLU A 24 7.388 34.351 -7.869 1.00 0.00 O ATOM 374 CB GLU A 24 6.497 31.165 -7.731 1.00 0.00 C ATOM 375 CG GLU A 24 6.533 29.952 -6.818 1.00 0.00 C ATOM 376 CD GLU A 24 7.901 29.786 -6.110 1.00 0.00 C ATOM 377 OE1 GLU A 24 8.193 30.530 -5.149 1.00 0.00 O ATOM 378 OE2 GLU A 24 8.564 28.877 -6.583 1.00 0.00 O ATOM 0 H GLU A 24 4.404 31.458 -6.557 1.00 0.00 H new ATOM 0 HA GLU A 24 6.881 32.682 -6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.738 31.014 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.455 31.257 -8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.747 30.042 -6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.317 29.056 -7.400 1.00 0.00 H new ATOM 385 N ASN A 25 5.416 33.953 -8.889 1.00 0.00 N ATOM 386 CA ASN A 25 5.475 35.077 -9.940 1.00 0.00 C ATOM 387 C ASN A 25 5.468 36.453 -9.266 1.00 0.00 C ATOM 388 O ASN A 25 6.150 37.374 -9.700 1.00 0.00 O ATOM 389 CB ASN A 25 4.202 35.015 -10.891 1.00 0.00 C ATOM 390 CG ASN A 25 4.337 33.779 -11.776 1.00 0.00 C ATOM 391 OD1 ASN A 25 3.567 32.845 -11.688 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.250 33.772 -12.666 1.00 0.00 N ATOM 0 H ASN A 25 4.559 33.403 -8.953 1.00 0.00 H new ATOM 0 HA ASN A 25 6.393 34.936 -10.511 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.287 34.963 -10.301 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.137 35.916 -11.501 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.334 32.981 -13.305 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.897 34.557 -12.739 1.00 0.00 H new ATOM 399 N VAL A 26 4.691 36.478 -8.219 1.00 0.00 N ATOM 400 CA VAL A 26 4.493 37.632 -7.334 1.00 0.00 C ATOM 401 C VAL A 26 5.829 38.045 -6.681 1.00 0.00 C ATOM 402 O VAL A 26 6.160 39.215 -6.764 1.00 0.00 O ATOM 403 CB VAL A 26 3.365 37.324 -6.318 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.282 38.429 -5.293 1.00 0.00 C ATOM 405 CG2 VAL A 26 1.966 37.136 -7.058 1.00 0.00 C ATOM 0 H VAL A 26 4.146 35.665 -7.931 1.00 0.00 H new ATOM 0 HA VAL A 26 4.164 38.498 -7.909 1.00 0.00 H new ATOM 0 HB VAL A 26 3.600 36.389 -5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.487 38.206 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.232 38.506 -4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.068 39.374 -5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.191 36.921 -6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.713 38.050 -7.595 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.036 36.308 -7.764 1.00 0.00 H new ATOM 415 N LYS A 27 6.640 37.043 -6.241 1.00 0.00 N ATOM 416 CA LYS A 27 8.015 37.213 -5.701 1.00 0.00 C ATOM 417 C LYS A 27 8.967 37.821 -6.717 1.00 0.00 C ATOM 418 O LYS A 27 9.820 38.616 -6.312 1.00 0.00 O ATOM 419 CB LYS A 27 8.681 35.829 -5.296 1.00 0.00 C ATOM 420 CG LYS A 27 7.961 35.260 -4.045 1.00 0.00 C ATOM 421 CD LYS A 27 8.725 33.973 -3.667 1.00 0.00 C ATOM 422 CE LYS A 27 7.727 33.018 -2.921 1.00 0.00 C ATOM 423 NZ LYS A 27 8.251 31.657 -2.695 1.00 0.00 N ATOM 0 H LYS A 27 6.344 36.067 -6.254 1.00 0.00 H new ATOM 0 HA LYS A 27 7.880 37.864 -4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.610 35.123 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.741 35.970 -5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.976 35.978 -3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.915 35.044 -4.261 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.121 33.489 -4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.576 34.209 -3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.468 33.460 -1.959 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.805 32.950 -3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.549 31.098 -2.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.441 31.202 -3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.133 31.711 -2.146 1.00 0.00 H new ATOM 437 N ALA A 28 8.885 37.375 -7.966 1.00 0.00 N ATOM 438 CA ALA A 28 9.856 37.842 -8.947 1.00 0.00 C ATOM 439 C ALA A 28 9.625 39.327 -9.357 1.00 0.00 C ATOM 440 O ALA A 28 10.551 40.096 -9.708 1.00 0.00 O ATOM 441 CB ALA A 28 9.874 36.826 -10.105 1.00 0.00 C ATOM 0 H ALA A 28 8.187 36.718 -8.313 1.00 0.00 H new ATOM 0 HA ALA A 28 10.859 37.875 -8.520 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.593 37.147 -10.859 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.160 35.846 -9.724 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.882 36.766 -10.552 1.00 0.00 H new ATOM 447 N LYS A 29 8.364 39.780 -9.308 1.00 0.00 N ATOM 448 CA LYS A 29 7.991 41.193 -9.563 1.00 0.00 C ATOM 449 C LYS A 29 8.395 42.100 -8.394 1.00 0.00 C ATOM 450 O LYS A 29 8.858 43.260 -8.618 1.00 0.00 O ATOM 451 CB LYS A 29 6.460 41.236 -10.008 1.00 0.00 C ATOM 452 CG LYS A 29 6.188 40.549 -11.371 1.00 0.00 C ATOM 453 CD LYS A 29 6.990 41.229 -12.532 1.00 0.00 C ATOM 454 CE LYS A 29 6.690 40.646 -13.888 1.00 0.00 C ATOM 455 NZ LYS A 29 5.274 40.898 -14.339 1.00 0.00 N ATOM 0 H LYS A 29 7.567 39.182 -9.091 1.00 0.00 H new ATOM 0 HA LYS A 29 8.555 41.617 -10.394 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.854 40.754 -9.241 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.136 42.275 -10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.461 39.496 -11.309 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.122 40.590 -11.593 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.763 42.295 -12.545 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.057 41.133 -12.331 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.379 41.069 -14.619 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.872 39.572 -13.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.142 40.518 -15.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.613 40.429 -13.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.088 41.921 -14.343 1.00 0.00 H new ATOM 469 N ILE A 30 8.253 41.565 -7.134 1.00 0.00 N ATOM 470 CA ILE A 30 8.770 42.222 -5.930 1.00 0.00 C ATOM 471 C ILE A 30 10.292 42.321 -5.966 1.00 0.00 C ATOM 472 O ILE A 30 10.841 43.300 -5.456 1.00 0.00 O ATOM 473 CB ILE A 30 8.276 41.465 -4.671 1.00 0.00 C ATOM 474 CG1 ILE A 30 6.733 41.579 -4.528 1.00 0.00 C ATOM 475 CG2 ILE A 30 9.011 41.859 -3.373 1.00 0.00 C ATOM 476 CD1 ILE A 30 6.222 40.575 -3.465 1.00 0.00 C ATOM 0 H ILE A 30 7.781 40.680 -6.951 1.00 0.00 H new ATOM 0 HA ILE A 30 8.388 43.242 -5.892 1.00 0.00 H new ATOM 0 HB ILE A 30 8.530 40.416 -4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.461 42.595 -4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.255 41.380 -5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.608 41.286 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.075 41.647 -3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.870 42.923 -3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.140 40.663 -3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.479 39.560 -3.770 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.687 40.794 -2.504 1.00 0.00 H new ATOM 488 N GLN A 31 10.956 41.359 -6.627 1.00 0.00 N ATOM 489 CA GLN A 31 12.389 41.458 -6.845 1.00 0.00 C ATOM 490 C GLN A 31 12.822 42.712 -7.655 1.00 0.00 C ATOM 491 O GLN A 31 13.710 43.464 -7.255 1.00 0.00 O ATOM 492 CB GLN A 31 12.875 40.077 -7.365 1.00 0.00 C ATOM 493 CG GLN A 31 14.334 40.164 -7.911 1.00 0.00 C ATOM 494 CD GLN A 31 14.801 38.749 -8.349 1.00 0.00 C ATOM 495 OE1 GLN A 31 14.019 37.828 -8.774 1.00 0.00 O ATOM 496 NE2 GLN A 31 16.115 38.529 -8.408 1.00 0.00 N ATOM 0 H GLN A 31 10.522 40.519 -7.011 1.00 0.00 H new ATOM 0 HA GLN A 31 12.912 41.657 -5.910 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.828 39.345 -6.559 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.209 39.727 -8.153 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.379 40.852 -8.755 1.00 0.00 H new ATOM 0 HG3 GLN A 31 15.000 40.558 -7.143 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.767 39.241 -8.078 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.468 37.649 -8.783 1.00 0.00 H new ATOM 505 N ASP A 32 12.142 42.918 -8.786 1.00 0.00 N ATOM 506 CA ASP A 32 12.314 44.043 -9.678 1.00 0.00 C ATOM 507 C ASP A 32 12.115 45.338 -8.915 1.00 0.00 C ATOM 508 O ASP A 32 12.940 46.239 -8.936 1.00 0.00 O ATOM 509 CB ASP A 32 11.280 43.961 -10.924 1.00 0.00 C ATOM 510 CG ASP A 32 11.644 42.804 -11.883 1.00 0.00 C ATOM 511 OD1 ASP A 32 10.782 42.499 -12.703 1.00 0.00 O ATOM 512 OD2 ASP A 32 12.765 42.289 -11.876 1.00 0.00 O ATOM 0 H ASP A 32 11.426 42.268 -9.110 1.00 0.00 H new ATOM 0 HA ASP A 32 13.327 44.014 -10.079 1.00 0.00 H new ATOM 0 HB2 ASP A 32 10.266 43.820 -10.549 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.289 44.905 -11.470 1.00 0.00 H new ATOM 517 N LYS A 33 11.024 45.393 -8.148 1.00 0.00 N ATOM 518 CA LYS A 33 10.722 46.529 -7.277 1.00 0.00 C ATOM 519 C LYS A 33 11.679 46.871 -6.132 1.00 0.00 C ATOM 520 O LYS A 33 11.981 48.057 -6.059 1.00 0.00 O ATOM 521 CB LYS A 33 9.316 46.399 -6.608 1.00 0.00 C ATOM 522 CG LYS A 33 8.095 46.399 -7.634 1.00 0.00 C ATOM 523 CD LYS A 33 8.105 47.740 -8.389 1.00 0.00 C ATOM 524 CE LYS A 33 6.765 47.986 -9.101 1.00 0.00 C ATOM 525 NZ LYS A 33 7.035 49.182 -9.940 1.00 0.00 N ATOM 0 H LYS A 33 10.325 44.651 -8.114 1.00 0.00 H new ATOM 0 HA LYS A 33 10.808 47.332 -8.009 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.287 45.477 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.184 47.222 -5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.185 45.568 -8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.152 46.268 -7.103 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.303 48.553 -7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.914 47.743 -9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.468 47.129 -9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.959 48.168 -8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.177 49.435 -10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.312 49.978 -9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.805 48.972 -10.607 1.00 0.00 H new ATOM 539 N GLU A 34 12.209 45.912 -5.361 1.00 0.00 N ATOM 540 CA GLU A 34 13.013 46.190 -4.121 1.00 0.00 C ATOM 541 C GLU A 34 14.412 45.598 -4.180 1.00 0.00 C ATOM 542 O GLU A 34 15.270 45.938 -3.324 1.00 0.00 O ATOM 543 CB GLU A 34 12.237 45.572 -2.935 1.00 0.00 C ATOM 544 CG GLU A 34 10.928 46.377 -2.586 1.00 0.00 C ATOM 545 CD GLU A 34 11.284 47.886 -2.269 1.00 0.00 C ATOM 546 OE1 GLU A 34 12.138 48.149 -1.396 1.00 0.00 O ATOM 547 OE2 GLU A 34 10.783 48.765 -2.998 1.00 0.00 O ATOM 0 H GLU A 34 12.104 44.918 -5.562 1.00 0.00 H new ATOM 0 HA GLU A 34 13.142 47.267 -4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.973 44.542 -3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.884 45.540 -2.059 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.229 46.328 -3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.432 45.924 -1.727 1.00 0.00 H new ATOM 554 N GLY A 35 14.658 44.651 -5.090 1.00 0.00 N ATOM 555 CA GLY A 35 15.886 43.881 -5.033 1.00 0.00 C ATOM 556 C GLY A 35 16.004 42.906 -3.887 1.00 0.00 C ATOM 557 O GLY A 35 16.963 42.989 -3.128 1.00 0.00 O ATOM 0 H GLY A 35 14.032 44.408 -5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.988 43.328 -5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.725 44.575 -4.981 1.00 0.00 H new ATOM 561 N ILE A 36 15.038 41.919 -3.700 1.00 0.00 N ATOM 562 CA ILE A 36 15.109 40.956 -2.631 1.00 0.00 C ATOM 563 C ILE A 36 15.044 39.532 -3.319 1.00 0.00 C ATOM 564 O ILE A 36 14.118 39.291 -4.082 1.00 0.00 O ATOM 565 CB ILE A 36 13.891 41.063 -1.624 1.00 0.00 C ATOM 566 CG1 ILE A 36 13.879 42.438 -0.898 1.00 0.00 C ATOM 567 CG2 ILE A 36 13.941 39.956 -0.545 1.00 0.00 C ATOM 568 CD1 ILE A 36 12.523 42.764 -0.179 1.00 0.00 C ATOM 0 H ILE A 36 14.221 41.811 -4.301 1.00 0.00 H new ATOM 0 HA ILE A 36 16.020 41.129 -2.058 1.00 0.00 H new ATOM 0 HB ILE A 36 12.989 40.948 -2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 36 14.683 42.457 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.093 43.223 -1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.089 40.063 0.126 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.904 38.978 -1.025 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.866 40.045 0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.592 43.739 0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.717 42.779 -0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.316 42.001 0.571 1.00 0.00 H new ATOM 580 N PRO A 37 16.014 38.666 -3.170 1.00 0.00 N ATOM 581 CA PRO A 37 16.028 37.347 -3.872 1.00 0.00 C ATOM 582 C PRO A 37 14.806 36.490 -3.488 1.00 0.00 C ATOM 583 O PRO A 37 14.473 36.588 -2.308 1.00 0.00 O ATOM 584 CB PRO A 37 17.398 36.711 -3.544 1.00 0.00 C ATOM 585 CG PRO A 37 17.854 37.473 -2.354 1.00 0.00 C ATOM 586 CD PRO A 37 17.287 38.897 -2.532 1.00 0.00 C ATOM 0 HA PRO A 37 15.930 37.445 -4.953 1.00 0.00 H new ATOM 0 HB2 PRO A 37 17.306 35.646 -3.329 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.096 36.809 -4.376 1.00 0.00 H new ATOM 0 HG2 PRO A 37 17.489 37.018 -1.433 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.942 37.489 -2.292 1.00 0.00 H new ATOM 0 HD2 PRO A 37 17.172 39.407 -1.576 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.940 39.517 -3.147 1.00 0.00 H new ATOM 594 N PRO A 38 14.200 35.750 -4.415 1.00 0.00 N ATOM 595 CA PRO A 38 13.082 34.727 -4.230 1.00 0.00 C ATOM 596 C PRO A 38 13.087 33.930 -2.947 1.00 0.00 C ATOM 597 O PRO A 38 12.020 33.620 -2.420 1.00 0.00 O ATOM 598 CB PRO A 38 13.338 33.757 -5.421 1.00 0.00 C ATOM 599 CG PRO A 38 13.774 34.661 -6.552 1.00 0.00 C ATOM 600 CD PRO A 38 14.344 35.965 -5.903 1.00 0.00 C ATOM 0 HA PRO A 38 12.121 35.240 -4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 38 14.107 33.024 -5.179 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.438 33.200 -5.681 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.531 34.173 -7.165 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.934 34.892 -7.207 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.386 36.122 -6.181 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.790 36.845 -6.231 1.00 0.00 H new ATOM 608 N ASP A 39 14.266 33.451 -2.576 1.00 0.00 N ATOM 609 CA ASP A 39 14.378 32.627 -1.374 1.00 0.00 C ATOM 610 C ASP A 39 14.571 33.425 -0.083 1.00 0.00 C ATOM 611 O ASP A 39 14.475 32.859 1.034 1.00 0.00 O ATOM 612 CB ASP A 39 15.440 31.538 -1.518 1.00 0.00 C ATOM 613 CG ASP A 39 16.878 32.076 -1.675 1.00 0.00 C ATOM 614 OD1 ASP A 39 17.075 33.219 -2.090 1.00 0.00 O ATOM 615 OD2 ASP A 39 17.775 31.305 -1.326 1.00 0.00 O ATOM 0 H ASP A 39 15.141 33.612 -3.074 1.00 0.00 H new ATOM 0 HA ASP A 39 13.407 32.141 -1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.400 30.889 -0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.198 30.922 -2.384 1.00 0.00 H new ATOM 620 N GLN A 40 14.732 34.787 -0.090 1.00 0.00 N ATOM 621 CA GLN A 40 14.655 35.560 1.098 1.00 0.00 C ATOM 622 C GLN A 40 13.172 35.859 1.459 1.00 0.00 C ATOM 623 O GLN A 40 12.954 36.186 2.606 1.00 0.00 O ATOM 624 CB GLN A 40 15.478 36.875 0.886 1.00 0.00 C ATOM 625 CG GLN A 40 17.060 36.764 1.269 1.00 0.00 C ATOM 626 CD GLN A 40 17.095 36.250 2.723 1.00 0.00 C ATOM 627 OE1 GLN A 40 17.551 35.112 2.948 1.00 0.00 O ATOM 628 NE2 GLN A 40 16.879 37.084 3.786 1.00 0.00 N ATOM 0 H GLN A 40 14.915 35.332 -0.933 1.00 0.00 H new ATOM 0 HA GLN A 40 15.078 35.008 1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.392 37.176 -0.158 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.029 37.668 1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 40 17.579 36.080 0.598 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.554 37.732 1.183 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.507 38.021 3.632 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.090 36.769 4.733 1.00 0.00 H new ATOM 637 N GLN A 41 12.277 35.778 0.441 1.00 0.00 N ATOM 638 CA GLN A 41 10.855 36.223 0.523 1.00 0.00 C ATOM 639 C GLN A 41 9.884 35.153 1.092 1.00 0.00 C ATOM 640 O GLN A 41 9.592 34.126 0.471 1.00 0.00 O ATOM 641 CB GLN A 41 10.438 36.834 -0.864 1.00 0.00 C ATOM 642 CG GLN A 41 11.226 38.102 -1.309 1.00 0.00 C ATOM 643 CD GLN A 41 10.593 38.632 -2.620 1.00 0.00 C ATOM 644 OE1 GLN A 41 9.354 38.521 -2.794 1.00 0.00 O ATOM 645 NE2 GLN A 41 11.421 38.958 -3.617 1.00 0.00 N ATOM 0 H GLN A 41 12.523 35.397 -0.473 1.00 0.00 H new ATOM 0 HA GLN A 41 10.773 37.010 1.273 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.559 36.067 -1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.377 37.083 -0.826 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.187 38.866 -0.532 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.277 37.860 -1.465 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.423 39.040 -3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.051 39.125 -4.553 1.00 0.00 H new ATOM 654 N ARG A 42 9.170 35.544 2.204 1.00 0.00 N ATOM 655 CA ARG A 42 8.058 34.782 2.694 1.00 0.00 C ATOM 656 C ARG A 42 6.850 35.672 2.605 1.00 0.00 C ATOM 657 O ARG A 42 6.821 36.742 3.198 1.00 0.00 O ATOM 658 CB ARG A 42 8.317 34.333 4.152 1.00 0.00 C ATOM 659 CG ARG A 42 9.615 33.530 4.146 1.00 0.00 C ATOM 660 CD ARG A 42 9.807 32.683 5.455 1.00 0.00 C ATOM 661 NE ARG A 42 11.069 31.949 5.246 1.00 0.00 N ATOM 662 CZ ARG A 42 11.618 31.072 6.088 1.00 0.00 C ATOM 663 NH1 ARG A 42 11.071 30.494 7.147 1.00 0.00 N ATOM 664 NH2 ARG A 42 12.473 30.262 5.575 1.00 0.00 N ATOM 0 H ARG A 42 9.376 36.383 2.746 1.00 0.00 H new ATOM 0 HA ARG A 42 7.907 33.877 2.106 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.400 35.196 4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.490 33.727 4.522 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.622 32.865 3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.459 34.211 4.031 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.863 33.323 6.336 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.972 31.999 5.610 1.00 0.00 H new ATOM 0 HE ARG A 42 11.569 32.129 4.375 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.107 30.707 7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.614 29.836 7.706 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.694 30.316 4.581 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.931 29.565 6.162 1.00 0.00 H new ATOM 678 N LEU A 43 5.826 35.175 1.889 1.00 0.00 N ATOM 679 CA LEU A 43 4.620 35.992 1.746 1.00 0.00 C ATOM 680 C LEU A 43 3.428 35.524 2.600 1.00 0.00 C ATOM 681 O LEU A 43 3.102 34.365 2.755 1.00 0.00 O ATOM 682 CB LEU A 43 4.120 36.129 0.318 1.00 0.00 C ATOM 683 CG LEU A 43 5.140 36.858 -0.636 1.00 0.00 C ATOM 684 CD1 LEU A 43 4.975 36.519 -2.119 1.00 0.00 C ATOM 685 CD2 LEU A 43 4.816 38.410 -0.502 1.00 0.00 C ATOM 0 H LEU A 43 5.808 34.266 1.427 1.00 0.00 H new ATOM 0 HA LEU A 43 4.970 36.959 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.906 35.137 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.180 36.680 0.322 1.00 0.00 H new ATOM 0 HG LEU A 43 6.145 36.553 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.717 37.065 -2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.115 35.448 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.975 36.803 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.491 38.979 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.786 38.594 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.949 38.721 0.534 1.00 0.00 H new ATOM 697 N ILE A 44 2.793 36.524 3.274 1.00 0.00 N ATOM 698 CA ILE A 44 1.818 36.269 4.267 1.00 0.00 C ATOM 699 C ILE A 44 0.574 37.050 3.899 1.00 0.00 C ATOM 700 O ILE A 44 0.650 38.241 3.587 1.00 0.00 O ATOM 701 CB ILE A 44 2.297 36.837 5.611 1.00 0.00 C ATOM 702 CG1 ILE A 44 3.720 36.348 5.991 1.00 0.00 C ATOM 703 CG2 ILE A 44 1.228 36.574 6.744 1.00 0.00 C ATOM 704 CD1 ILE A 44 3.840 34.779 6.277 1.00 0.00 C ATOM 0 H ILE A 44 2.973 37.515 3.113 1.00 0.00 H new ATOM 0 HA ILE A 44 1.637 35.196 4.337 1.00 0.00 H new ATOM 0 HB ILE A 44 2.388 37.918 5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.405 36.609 5.184 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.050 36.890 6.877 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.589 36.985 7.687 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.287 37.054 6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.070 35.501 6.853 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.870 34.534 6.534 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.185 34.509 7.106 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.546 34.223 5.387 1.00 0.00 H new ATOM 716 N PHE A 45 -0.617 36.424 4.021 1.00 0.00 N ATOM 717 CA PHE A 45 -1.874 37.162 3.743 1.00 0.00 C ATOM 718 C PHE A 45 -2.809 36.887 4.933 1.00 0.00 C ATOM 719 O PHE A 45 -2.989 35.737 5.303 1.00 0.00 O ATOM 720 CB PHE A 45 -2.544 36.764 2.411 1.00 0.00 C ATOM 721 CG PHE A 45 -3.892 37.471 2.246 1.00 0.00 C ATOM 722 CD1 PHE A 45 -3.957 38.882 2.192 1.00 0.00 C ATOM 723 CD2 PHE A 45 -5.029 36.735 1.979 1.00 0.00 C ATOM 724 CE1 PHE A 45 -5.171 39.540 2.029 1.00 0.00 C ATOM 725 CE2 PHE A 45 -6.271 37.383 1.790 1.00 0.00 C ATOM 726 CZ PHE A 45 -6.331 38.792 1.760 1.00 0.00 C ATOM 0 H PHE A 45 -0.737 35.450 4.298 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.652 38.223 3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.889 37.022 1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.689 35.684 2.380 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.048 39.459 2.279 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.969 35.659 1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.223 40.616 2.108 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.172 36.800 1.669 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.261 39.292 1.532 1.00 0.00 H new ATOM 736 N ALA A 46 -3.406 37.957 5.536 1.00 0.00 N ATOM 737 CA ALA A 46 -4.578 37.804 6.397 1.00 0.00 C ATOM 738 C ALA A 46 -4.325 37.000 7.667 1.00 0.00 C ATOM 739 O ALA A 46 -5.180 36.259 8.150 1.00 0.00 O ATOM 740 CB ALA A 46 -5.765 37.261 5.538 1.00 0.00 C ATOM 0 H ALA A 46 -3.085 38.919 5.432 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.843 38.787 6.787 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.646 37.142 6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.985 37.965 4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.493 36.296 5.110 1.00 0.00 H new ATOM 746 N GLY A 47 -3.117 37.129 8.197 1.00 0.00 N ATOM 747 CA GLY A 47 -2.799 36.493 9.448 1.00 0.00 C ATOM 748 C GLY A 47 -2.395 35.009 9.232 1.00 0.00 C ATOM 749 O GLY A 47 -2.362 34.240 10.179 1.00 0.00 O ATOM 0 H GLY A 47 -2.355 37.664 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.984 37.028 9.935 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.659 36.546 10.116 1.00 0.00 H new ATOM 753 N LYS A 48 -2.101 34.582 7.964 1.00 0.00 N ATOM 754 CA LYS A 48 -1.666 33.229 7.665 1.00 0.00 C ATOM 755 C LYS A 48 -0.688 33.189 6.424 1.00 0.00 C ATOM 756 O LYS A 48 -0.676 34.086 5.557 1.00 0.00 O ATOM 757 CB LYS A 48 -2.866 32.243 7.530 1.00 0.00 C ATOM 758 CG LYS A 48 -3.404 31.791 8.972 1.00 0.00 C ATOM 759 CD LYS A 48 -3.895 30.327 8.959 1.00 0.00 C ATOM 760 CE LYS A 48 -5.032 29.997 7.934 1.00 0.00 C ATOM 761 NZ LYS A 48 -6.258 30.829 8.011 1.00 0.00 N ATOM 0 H LYS A 48 -2.167 35.183 7.143 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.088 32.878 8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.671 32.719 6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.558 31.366 6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.609 31.903 9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.219 32.447 9.279 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.043 29.680 8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.248 30.074 9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.621 30.088 6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.319 28.954 8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.935 30.517 7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.688 30.728 8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.012 31.826 7.849 1.00 0.00 H new ATOM 775 N GLN A 49 0.232 32.246 6.417 1.00 0.00 N ATOM 776 CA GLN A 49 1.225 32.263 5.362 1.00 0.00 C ATOM 777 C GLN A 49 0.686 31.696 4.055 1.00 0.00 C ATOM 778 O GLN A 49 0.068 30.654 4.036 1.00 0.00 O ATOM 779 CB GLN A 49 2.402 31.458 5.895 1.00 0.00 C ATOM 780 CG GLN A 49 3.451 31.233 4.772 1.00 0.00 C ATOM 781 CD GLN A 49 4.851 30.920 5.339 1.00 0.00 C ATOM 782 OE1 GLN A 49 5.772 31.784 5.217 1.00 0.00 O ATOM 783 NE2 GLN A 49 5.085 29.823 5.965 1.00 0.00 N ATOM 0 H GLN A 49 0.314 31.490 7.097 1.00 0.00 H new ATOM 0 HA GLN A 49 1.522 33.282 5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.862 31.983 6.732 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.053 30.498 6.274 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.127 30.411 4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.505 32.122 4.144 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.347 29.126 6.065 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.008 29.649 6.362 1.00 0.00 H new ATOM 792 N LEU A 50 0.978 32.345 2.920 1.00 0.00 N ATOM 793 CA LEU A 50 0.584 31.828 1.611 1.00 0.00 C ATOM 794 C LEU A 50 1.396 30.544 1.175 1.00 0.00 C ATOM 795 O LEU A 50 2.628 30.556 1.344 1.00 0.00 O ATOM 796 CB LEU A 50 0.779 32.909 0.544 1.00 0.00 C ATOM 797 CG LEU A 50 -0.033 34.219 0.738 1.00 0.00 C ATOM 798 CD1 LEU A 50 0.578 35.422 -0.042 1.00 0.00 C ATOM 799 CD2 LEU A 50 -1.520 33.956 0.305 1.00 0.00 C ATOM 0 H LEU A 50 1.486 33.229 2.886 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.464 31.543 1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.838 33.165 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.518 32.485 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 50 0.004 34.498 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.028 36.312 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.595 35.603 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.596 35.194 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.104 34.867 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.546 33.655 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.943 33.163 0.921 1.00 0.00 H new ATOM 811 N GLU A 51 0.719 29.507 0.542 1.00 0.00 N ATOM 812 CA GLU A 51 1.404 28.454 -0.209 1.00 0.00 C ATOM 813 C GLU A 51 1.946 28.961 -1.592 1.00 0.00 C ATOM 814 O GLU A 51 1.289 29.764 -2.262 1.00 0.00 O ATOM 815 CB GLU A 51 0.531 27.245 -0.448 1.00 0.00 C ATOM 816 CG GLU A 51 -0.172 26.675 0.849 1.00 0.00 C ATOM 817 CD GLU A 51 -1.132 25.506 0.526 1.00 0.00 C ATOM 818 OE1 GLU A 51 -0.723 24.532 -0.128 1.00 0.00 O ATOM 819 OE2 GLU A 51 -2.280 25.581 0.994 1.00 0.00 O ATOM 0 H GLU A 51 -0.296 29.409 0.557 1.00 0.00 H new ATOM 0 HA GLU A 51 2.244 28.164 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.237 27.506 -1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.138 26.457 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.588 26.335 1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.727 27.474 1.340 1.00 0.00 H new ATOM 826 N ASP A 52 3.207 28.507 -1.976 1.00 0.00 N ATOM 827 CA ASP A 52 3.936 28.991 -3.159 1.00 0.00 C ATOM 828 C ASP A 52 3.232 28.712 -4.500 1.00 0.00 C ATOM 829 O ASP A 52 3.292 29.560 -5.374 1.00 0.00 O ATOM 830 CB ASP A 52 5.392 28.361 -3.340 1.00 0.00 C ATOM 831 CG ASP A 52 6.488 28.799 -2.362 1.00 0.00 C ATOM 832 OD1 ASP A 52 6.381 29.956 -1.966 1.00 0.00 O ATOM 833 OD2 ASP A 52 7.512 28.077 -2.278 1.00 0.00 O ATOM 0 H ASP A 52 3.718 27.796 -1.453 1.00 0.00 H new ATOM 0 HA ASP A 52 3.984 30.059 -2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.298 27.277 -3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.733 28.591 -4.350 1.00 0.00 H new ATOM 838 N GLY A 53 2.626 27.546 -4.707 1.00 0.00 N ATOM 839 CA GLY A 53 2.090 27.143 -6.035 1.00 0.00 C ATOM 840 C GLY A 53 0.623 27.517 -6.276 1.00 0.00 C ATOM 841 O GLY A 53 0.104 27.275 -7.369 1.00 0.00 O ATOM 0 H GLY A 53 2.486 26.849 -3.976 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.700 27.603 -6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.198 26.064 -6.142 1.00 0.00 H new ATOM 845 N ARG A 54 -0.031 28.175 -5.302 1.00 0.00 N ATOM 846 CA ARG A 54 -1.410 28.663 -5.424 1.00 0.00 C ATOM 847 C ARG A 54 -1.458 30.020 -6.139 1.00 0.00 C ATOM 848 O ARG A 54 -0.461 30.705 -6.059 1.00 0.00 O ATOM 849 CB ARG A 54 -2.167 28.716 -4.051 1.00 0.00 C ATOM 850 CG ARG A 54 -2.353 27.309 -3.425 1.00 0.00 C ATOM 851 CD ARG A 54 -3.379 27.332 -2.235 1.00 0.00 C ATOM 852 NE ARG A 54 -3.386 25.938 -1.648 1.00 0.00 N ATOM 853 CZ ARG A 54 -3.519 24.870 -2.392 1.00 0.00 C ATOM 854 NH1 ARG A 54 -4.427 24.765 -3.352 1.00 0.00 N ATOM 855 NH2 ARG A 54 -2.820 23.831 -2.098 1.00 0.00 N ATOM 0 H ARG A 54 0.392 28.384 -4.398 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.940 27.934 -6.037 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.613 29.349 -3.358 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.143 29.179 -4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.699 26.613 -4.190 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.391 26.939 -3.069 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.087 28.067 -1.485 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.373 27.611 -2.585 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.284 25.827 -0.639 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.064 25.540 -3.539 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.489 23.909 -3.904 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.182 23.854 -1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.903 22.984 -2.661 1.00 0.00 H new ATOM 869 N THR A 55 -2.572 30.326 -6.875 1.00 0.00 N ATOM 870 CA THR A 55 -2.699 31.624 -7.565 1.00 0.00 C ATOM 871 C THR A 55 -3.508 32.620 -6.722 1.00 0.00 C ATOM 872 O THR A 55 -4.184 32.275 -5.765 1.00 0.00 O ATOM 873 CB THR A 55 -3.338 31.583 -8.962 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.699 31.074 -8.965 1.00 0.00 O ATOM 875 CG2 THR A 55 -2.557 30.554 -9.785 1.00 0.00 C ATOM 0 H THR A 55 -3.369 29.700 -6.996 1.00 0.00 H new ATOM 0 HA THR A 55 -1.663 31.936 -7.695 1.00 0.00 H new ATOM 0 HB THR A 55 -3.327 32.605 -9.341 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.731 30.223 -8.481 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.980 30.493 -10.788 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.512 30.857 -9.850 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.623 29.578 -9.304 1.00 0.00 H new ATOM 883 N LEU A 56 -3.434 33.897 -7.066 1.00 0.00 N ATOM 884 CA LEU A 56 -4.237 34.893 -6.362 1.00 0.00 C ATOM 885 C LEU A 56 -5.768 34.786 -6.663 1.00 0.00 C ATOM 886 O LEU A 56 -6.639 35.098 -5.863 1.00 0.00 O ATOM 887 CB LEU A 56 -3.708 36.273 -6.684 1.00 0.00 C ATOM 888 CG LEU A 56 -2.233 36.464 -6.194 1.00 0.00 C ATOM 889 CD1 LEU A 56 -1.799 37.859 -6.615 1.00 0.00 C ATOM 890 CD2 LEU A 56 -2.092 36.332 -4.652 1.00 0.00 C ATOM 0 H LEU A 56 -2.842 34.265 -7.810 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.142 34.698 -5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.757 36.438 -7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.345 37.024 -6.217 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.612 35.684 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.773 38.034 -6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.858 37.946 -7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.455 38.598 -6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.049 36.473 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.706 37.089 -4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.422 35.341 -4.340 1.00 0.00 H new ATOM 902 N SER A 57 -6.063 34.137 -7.767 1.00 0.00 N ATOM 903 CA SER A 57 -7.432 33.698 -8.113 1.00 0.00 C ATOM 904 C SER A 57 -7.963 32.533 -7.220 1.00 0.00 C ATOM 905 O SER A 57 -9.172 32.532 -6.980 1.00 0.00 O ATOM 906 CB SER A 57 -7.489 33.295 -9.601 1.00 0.00 C ATOM 907 OG SER A 57 -8.729 32.566 -9.899 1.00 0.00 O ATOM 0 H SER A 57 -5.366 33.888 -8.468 1.00 0.00 H new ATOM 0 HA SER A 57 -8.088 34.548 -7.924 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.427 34.186 -10.226 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.628 32.673 -9.847 1.00 0.00 H new ATOM 0 HG SER A 57 -8.745 32.322 -10.848 1.00 0.00 H new ATOM 913 N ASP A 58 -7.122 31.556 -6.767 1.00 0.00 N ATOM 914 CA ASP A 58 -7.499 30.500 -5.819 1.00 0.00 C ATOM 915 C ASP A 58 -7.845 31.073 -4.437 1.00 0.00 C ATOM 916 O ASP A 58 -8.725 30.576 -3.713 1.00 0.00 O ATOM 917 CB ASP A 58 -6.279 29.573 -5.614 1.00 0.00 C ATOM 918 CG ASP A 58 -5.959 28.775 -6.894 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.887 28.113 -7.349 1.00 0.00 O ATOM 920 OD2 ASP A 58 -4.829 28.808 -7.359 1.00 0.00 O ATOM 0 H ASP A 58 -6.149 31.493 -7.065 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.365 29.980 -6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.412 30.168 -5.328 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.477 28.884 -4.793 1.00 0.00 H new ATOM 925 N TYR A 59 -7.140 32.180 -4.084 1.00 0.00 N ATOM 926 CA TYR A 59 -7.439 33.021 -2.873 1.00 0.00 C ATOM 927 C TYR A 59 -8.490 34.119 -3.081 1.00 0.00 C ATOM 928 O TYR A 59 -8.928 34.741 -2.091 1.00 0.00 O ATOM 929 CB TYR A 59 -6.130 33.661 -2.290 1.00 0.00 C ATOM 930 CG TYR A 59 -5.187 32.616 -1.763 1.00 0.00 C ATOM 931 CD1 TYR A 59 -3.831 32.519 -2.154 1.00 0.00 C ATOM 932 CD2 TYR A 59 -5.607 31.781 -0.756 1.00 0.00 C ATOM 933 CE1 TYR A 59 -2.976 31.618 -1.561 1.00 0.00 C ATOM 934 CE2 TYR A 59 -4.725 30.855 -0.153 1.00 0.00 C ATOM 935 CZ TYR A 59 -3.350 30.816 -0.517 1.00 0.00 C ATOM 936 OH TYR A 59 -2.463 29.920 0.067 1.00 0.00 O ATOM 0 H TYR A 59 -6.346 32.523 -4.625 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.873 32.317 -2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.632 34.242 -3.066 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.389 34.354 -1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.459 33.166 -2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.632 31.833 -0.418 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.966 31.541 -1.936 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.099 30.169 0.593 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.913 29.441 0.794 1.00 0.00 H new ATOM 946 N ASN A 60 -8.983 34.297 -4.315 1.00 0.00 N ATOM 947 CA ASN A 60 -10.012 35.321 -4.593 1.00 0.00 C ATOM 948 C ASN A 60 -9.548 36.736 -4.185 1.00 0.00 C ATOM 949 O ASN A 60 -10.307 37.513 -3.590 1.00 0.00 O ATOM 950 CB ASN A 60 -11.350 35.035 -3.855 1.00 0.00 C ATOM 951 CG ASN A 60 -11.885 33.664 -4.350 1.00 0.00 C ATOM 952 OD1 ASN A 60 -11.895 32.673 -3.614 1.00 0.00 O ATOM 953 ND2 ASN A 60 -11.996 33.476 -5.618 1.00 0.00 N ATOM 0 H ASN A 60 -8.694 33.756 -5.130 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.170 35.275 -5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.194 35.017 -2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.074 35.823 -4.059 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.089 32.530 -5.987 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.991 34.273 -6.254 1.00 0.00 H new ATOM 960 N ILE A 61 -8.268 37.020 -4.425 1.00 0.00 N ATOM 961 CA ILE A 61 -7.694 38.295 -3.975 1.00 0.00 C ATOM 962 C ILE A 61 -8.303 39.456 -4.723 1.00 0.00 C ATOM 963 O ILE A 61 -8.223 39.552 -5.956 1.00 0.00 O ATOM 964 CB ILE A 61 -6.168 38.236 -4.065 1.00 0.00 C ATOM 965 CG1 ILE A 61 -5.635 37.035 -3.166 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.521 39.627 -3.690 1.00 0.00 C ATOM 967 CD1 ILE A 61 -5.505 37.449 -1.666 1.00 0.00 C ATOM 0 H ILE A 61 -7.620 36.404 -4.916 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.942 38.462 -2.927 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.866 38.039 -5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.314 36.187 -3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.665 36.705 -3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.436 39.555 -3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.881 40.393 -4.377 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.799 39.895 -2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.139 36.602 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.805 38.280 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.480 37.754 -1.287 1.00 0.00 H new ATOM 979 N GLN A 62 -8.846 40.414 -3.910 1.00 0.00 N ATOM 980 CA GLN A 62 -9.350 41.671 -4.383 1.00 0.00 C ATOM 981 C GLN A 62 -8.249 42.749 -4.600 1.00 0.00 C ATOM 982 O GLN A 62 -7.254 42.776 -3.946 1.00 0.00 O ATOM 983 CB GLN A 62 -10.559 42.135 -3.486 1.00 0.00 C ATOM 984 CG GLN A 62 -11.722 41.114 -3.471 1.00 0.00 C ATOM 985 CD GLN A 62 -12.163 40.749 -4.906 1.00 0.00 C ATOM 986 OE1 GLN A 62 -12.697 41.662 -5.582 1.00 0.00 O ATOM 987 NE2 GLN A 62 -11.829 39.574 -5.343 1.00 0.00 N ATOM 0 H GLN A 62 -8.931 40.299 -2.900 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.737 41.524 -5.391 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.209 42.294 -2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.928 43.094 -3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.411 40.213 -2.943 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.567 41.530 -2.922 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.398 38.898 -4.712 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.997 39.326 -6.318 1.00 0.00 H new ATOM 996 N LYS A 63 -8.522 43.682 -5.513 1.00 0.00 N ATOM 997 CA LYS A 63 -7.680 44.840 -5.733 1.00 0.00 C ATOM 998 C LYS A 63 -7.553 45.736 -4.472 1.00 0.00 C ATOM 999 O LYS A 63 -8.432 45.650 -3.643 1.00 0.00 O ATOM 1000 CB LYS A 63 -8.299 45.660 -6.913 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.492 46.610 -6.487 1.00 0.00 C ATOM 1002 CD LYS A 63 -9.914 47.501 -7.717 1.00 0.00 C ATOM 1003 CE LYS A 63 -11.020 48.533 -7.365 1.00 0.00 C ATOM 1004 NZ LYS A 63 -10.738 49.325 -6.144 1.00 0.00 N ATOM 0 H LYS A 63 -9.341 43.648 -6.120 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.672 44.500 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.515 46.263 -7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.656 44.967 -7.675 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.340 46.017 -6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.188 47.242 -5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.038 48.029 -8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.268 46.856 -8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.148 49.214 -8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.966 48.007 -7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.219 50.245 -6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.084 48.811 -5.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.713 49.476 -6.057 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.408 46.446 -4.281 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.146 47.319 -3.136 1.00 0.00 C ATOM 1020 C GLU A 64 -6.035 46.571 -1.765 1.00 0.00 C ATOM 1021 O GLU A 64 -6.145 47.199 -0.738 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.204 48.480 -3.151 1.00 0.00 C ATOM 1023 CG GLU A 64 -6.869 49.511 -4.283 1.00 0.00 C ATOM 1024 CD GLU A 64 -8.022 50.512 -4.515 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.507 50.589 -5.652 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -8.301 51.269 -3.585 1.00 0.00 O ATOM 0 H GLU A 64 -5.632 46.417 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.149 47.746 -3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.201 48.069 -3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.215 48.983 -2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.963 50.057 -4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.661 48.977 -5.210 1.00 0.00 H new ATOM 1033 N SER A 65 -5.889 45.221 -1.756 1.00 0.00 N ATOM 1034 CA SER A 65 -5.683 44.456 -0.493 1.00 0.00 C ATOM 1035 C SER A 65 -4.217 44.229 -0.276 1.00 0.00 C ATOM 1036 O SER A 65 -3.401 44.507 -1.147 1.00 0.00 O ATOM 1037 CB SER A 65 -6.327 43.064 -0.532 1.00 0.00 C ATOM 1038 OG SER A 65 -7.699 43.325 -0.611 1.00 0.00 O ATOM 0 H SER A 65 -5.909 44.643 -2.596 1.00 0.00 H new ATOM 0 HA SER A 65 -6.140 45.050 0.299 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.981 42.488 -1.390 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.082 42.486 0.359 1.00 0.00 H new ATOM 0 HG SER A 65 -8.192 42.478 -0.642 1.00 0.00 H new ATOM 1044 N THR A 66 -3.869 43.716 0.937 1.00 0.00 N ATOM 1045 CA THR A 66 -2.458 43.715 1.356 1.00 0.00 C ATOM 1046 C THR A 66 -1.881 42.362 1.699 1.00 0.00 C ATOM 1047 O THR A 66 -2.223 41.738 2.653 1.00 0.00 O ATOM 1048 CB THR A 66 -2.194 44.677 2.574 1.00 0.00 C ATOM 1049 OG1 THR A 66 -2.471 45.977 2.129 1.00 0.00 O ATOM 1050 CG2 THR A 66 -0.725 44.643 3.018 1.00 0.00 C ATOM 0 H THR A 66 -4.523 43.316 1.610 1.00 0.00 H new ATOM 0 HA THR A 66 -1.947 44.070 0.461 1.00 0.00 H new ATOM 0 HB THR A 66 -2.815 44.368 3.415 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.321 46.612 2.860 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.584 45.320 3.860 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.459 43.630 3.318 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.088 44.955 2.191 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.805 42.057 1.030 1.00 0.00 N ATOM 1059 CA LEU A 67 0.073 40.936 1.442 1.00 0.00 C ATOM 1060 C LEU A 67 1.112 41.599 2.394 1.00 0.00 C ATOM 1061 O LEU A 67 1.574 42.703 2.205 1.00 0.00 O ATOM 1062 CB LEU A 67 0.839 40.334 0.256 1.00 0.00 C ATOM 1063 CG LEU A 67 -0.045 40.053 -0.974 1.00 0.00 C ATOM 1064 CD1 LEU A 67 0.968 39.553 -2.056 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -1.243 39.042 -0.686 1.00 0.00 C ATOM 0 H LEU A 67 -0.493 42.553 0.195 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.511 40.132 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.640 41.015 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.310 39.404 0.574 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.585 40.940 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.433 39.324 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.707 40.330 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.471 38.655 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.821 38.893 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.840 38.086 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.889 39.454 0.089 1.00 0.00 H new ATOM 1077 N HIS A 68 1.433 40.914 3.449 1.00 0.00 N ATOM 1078 CA HIS A 68 2.642 41.233 4.271 1.00 0.00 C ATOM 1079 C HIS A 68 3.799 40.384 3.815 1.00 0.00 C ATOM 1080 O HIS A 68 3.662 39.233 3.414 1.00 0.00 O ATOM 1081 CB HIS A 68 2.350 40.943 5.743 1.00 0.00 C ATOM 1082 CG HIS A 68 1.672 42.126 6.304 1.00 0.00 C ATOM 1083 ND1 HIS A 68 2.377 43.134 6.820 1.00 0.00 N ATOM 1084 CD2 HIS A 68 0.353 42.485 6.335 1.00 0.00 C ATOM 1085 CE1 HIS A 68 1.495 44.110 7.132 1.00 0.00 C ATOM 1086 NE2 HIS A 68 0.239 43.752 6.845 1.00 0.00 N ATOM 0 H HIS A 68 0.894 40.119 3.792 1.00 0.00 H new ATOM 0 HA HIS A 68 2.893 42.287 4.150 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.721 40.058 5.842 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.274 40.739 6.284 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.470 41.867 6.009 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.771 45.062 7.561 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.612 44.299 6.976 1.00 0.00 H new ATOM 1094 N LEU A 69 5.033 40.958 3.845 1.00 0.00 N ATOM 1095 CA LEU A 69 6.249 40.283 3.395 1.00 0.00 C ATOM 1096 C LEU A 69 7.127 40.089 4.639 1.00 0.00 C ATOM 1097 O LEU A 69 7.392 41.056 5.358 1.00 0.00 O ATOM 1098 CB LEU A 69 7.136 41.114 2.402 1.00 0.00 C ATOM 1099 CG LEU A 69 8.423 40.388 1.868 1.00 0.00 C ATOM 1100 CD1 LEU A 69 8.260 39.006 1.187 1.00 0.00 C ATOM 1101 CD2 LEU A 69 9.106 41.368 0.888 1.00 0.00 C ATOM 0 H LEU A 69 5.196 41.905 4.186 1.00 0.00 H new ATOM 0 HA LEU A 69 5.928 39.375 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.522 41.401 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.440 42.035 2.899 1.00 0.00 H new ATOM 0 HG LEU A 69 9.006 40.141 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.237 38.637 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.815 38.303 1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.613 39.104 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.010 40.910 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.423 41.600 0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.367 42.286 1.414 1.00 0.00 H new ATOM 1113 N VAL A 70 7.528 38.848 4.756 1.00 0.00 N ATOM 1114 CA VAL A 70 8.439 38.344 5.828 1.00 0.00 C ATOM 1115 C VAL A 70 9.785 37.932 5.223 1.00 0.00 C ATOM 1116 O VAL A 70 9.834 37.389 4.139 1.00 0.00 O ATOM 1117 CB VAL A 70 7.709 37.274 6.622 1.00 0.00 C ATOM 1118 CG1 VAL A 70 8.696 36.669 7.691 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.530 38.073 7.281 1.00 0.00 C ATOM 0 H VAL A 70 7.239 38.118 4.105 1.00 0.00 H new ATOM 0 HA VAL A 70 8.697 39.121 6.548 1.00 0.00 H new ATOM 0 HB VAL A 70 7.347 36.429 6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.182 35.900 8.267 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.556 36.230 7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.034 37.459 8.362 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.926 37.397 7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.935 38.863 7.914 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.909 38.515 6.501 1.00 0.00 H new